#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 6.81 0.00 4.52 3.84 -1.26 -4.88 114.94 123.97 1jri s ASN 10 Ca 0.00 2.46 0.24 0.00 0.21 0.00 0.00 52.86 55.77 1jri s ASN 10 Cb 0.00 -2.61 1.37 0.00 -0.55 0.00 0.00 41.25 39.46 1jri s ASN 10 CO 0.00 -0.60 1.81 1.33 -2.79 0.00 0.00 177.10 176.84 1jri n VAL 11 N 2.83 0.08 0.35 -5.21 0.24 -1.26 -2.25 118.33 113.12 1jri n VAL 11 Ca 0.07 0.02 0.04 0.00 -2.04 0.00 0.00 64.34 62.43 1jri n VAL 11 Cb 0.42 -0.64 -0.02 0.00 -1.47 0.00 0.00 33.84 32.13 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 -1.09 3.25 -3.82 7.34 6.02 -1.26 -4.80 117.38 123.01 1jri n GLN 12 Ca 0.16 -0.30 -0.31 0.00 -0.01 0.00 0.00 57.00 56.55 1jri n GLN 12 Cb 0.12 -0.94 -0.11 0.00 1.02 0.00 0.00 30.24 30.33 1jri n GLN 12 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1jri s ARG 13 N -1.41 2.67 0.42 -1.09 0.52 -0.95 -4.92 118.95 114.19 1jri s ARG 13 Ca 0.05 -3.25 0.23 0.00 -0.52 0.00 0.00 55.73 52.23 1jri s ARG 13 Cb 0.06 -3.58 0.85 0.00 0.52 0.00 0.00 34.95 32.80 1jri s ARG 13 CO 0.25 -1.26 1.80 -1.00 0.02 0.00 0.00 175.30 175.10 1jri h PRO 14 N 5.71 0.00 0.00 3.54 0.13 -1.87 -2.94 132.00 136.57 1jri h PRO 14 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1jri h PRO 14 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1jri h PRO 14 CO 0.76 0.26 0.00 1.28 -0.23 0.00 0.00 178.00 180.07 1jri n LEU 15 N -3.43 0.00 -0.01 1.56 4.32 -1.26 -2.40 117.00 115.79 1jri n LEU 15 Ca 0.00 0.48 -0.00 0.00 -0.02 0.00 0.00 56.01 56.47 1jri n LEU 15 Cb 0.45 -0.48 0.29 0.00 -1.62 0.00 0.00 43.42 42.06 1jri n LEU 15 CO 0.34 -0.22 0.93 0.44 -1.22 0.00 0.00 177.39 177.66 1jri h ASP 16 N 0.00 0.51 -0.39 -1.43 3.32 -1.90 -0.95 116.42 115.58 1jri h ASP 16 Ca 0.00 -0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.07 1jri h ASP 16 Cb 0.26 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1jri h ASP 16 CO 0.00 0.58 0.37 0.00 -1.72 0.00 0.00 179.24 178.47 1jri h ALA 17 N 1.48 2.16 -0.18 3.45 0.00 -1.69 0.82 119.26 125.30 1jri h ALA 17 Ca 0.11 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1jri h ALA 17 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jri h ALA 17 CO 0.01 -0.57 -0.66 -0.07 0.00 0.00 0.00 179.25 177.96 1jri h LEU 18 N 0.00 0.79 -1.45 0.00 3.38 -1.36 -2.75 115.31 113.92 1jri h LEU 18 Ca 0.19 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1jri h LEU 18 Cb 0.92 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1jri h LEU 18 CO -0.00 1.24 -0.27 1.23 0.09 0.00 0.00 178.44 180.73 1jri h GLY 19 N 0.85 0.00 -0.16 0.83 0.00 0.65 -0.84 103.07 104.39 1jri h GLY 19 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1jri h GLY 19 CO 0.13 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.37 1jri n ASN 20 N -3.87 0.15 0.00 0.19 4.13 -0.16 -2.86 115.26 112.85 1jri n ASN 20 Ca -0.02 -1.88 0.00 0.00 1.68 0.00 0.00 54.58 54.36 1jri n ASN 20 Cb 0.35 -0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.51 1jri n ASN 20 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1jri n SER 21 N -0.41 0.46 -4.68 6.41 7.64 -0.34 -5.02 113.62 117.68 1jri n SER 21 Ca 0.00 -1.15 -0.45 0.00 1.01 0.00 0.00 58.87 58.28 1jri n SER 21 Cb 0.04 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.07 3.43 -0.08 -3.43 4.77 -1.10 -0.72 117.00 119.79 1jri n LEU 22 Ca 0.00 1.06 -0.01 0.00 -0.03 0.00 0.00 56.01 57.03 1jri n LEU 22 Cb 0.29 -1.47 -0.00 0.00 -2.33 0.00 0.00 43.42 39.91 1jri n LEU 22 CO 0.00 -0.11 -0.01 0.59 -1.33 0.00 0.00 177.39 176.53 1jri n ASN 23 N 4.08 -3.84 -4.76 -1.43 3.02 0.51 -5.01 115.26 107.84 1jri n ASN 23 Ca 0.17 0.03 -0.22 0.00 -0.03 0.00 0.00 54.58 54.53 1jri n ASN 23 Cb 0.31 -1.44 -0.06 0.00 -0.61 0.00 0.00 39.78 37.99 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 -2.17 4.90 0.18 6.41 0.01 0.10 -4.87 113.70 118.26 1jri s SER 24 Ca 0.00 -0.63 -0.30 0.00 1.31 0.00 0.00 55.95 56.33 1jri s SER 24 Cb 0.00 -0.88 -0.07 0.00 0.21 0.00 0.00 66.02 65.27 1jri s SER 24 CO 0.00 -0.23 0.95 -2.84 0.41 0.00 0.00 173.24 171.53 1jri s PRO 25 N -3.85 4.78 0.29 12.44 0.02 -1.26 -1.79 135.00 145.62 1jri s PRO 25 Ca 0.37 1.47 0.03 0.00 0.02 0.00 0.00 61.00 62.89 1jri s PRO 25 Cb -0.04 -3.33 -0.06 0.00 0.02 0.00 0.00 34.50 31.09 1jri s PRO 25 CO 0.23 0.36 0.06 0.14 -0.33 0.00 0.00 177.00 177.47 1jri s VAL 26 N -0.58 0.99 -0.15 3.83 -7.23 0.68 -2.79 120.40 115.15 1jri s VAL 26 Ca 0.44 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1jri s VAL 26 Cb -0.25 -2.69 0.02 0.00 0.56 0.00 0.00 36.38 34.03 1jri s VAL 26 CO 0.31 -0.04 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.28 1jri s ILE 27 N -3.44 1.56 -0.29 -0.62 1.01 0.19 -2.66 121.20 116.95 1jri s ILE 27 Ca 0.36 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 1jri s ILE 27 Cb 0.08 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 1jri s ILE 27 CO 0.14 0.46 0.18 -0.63 0.00 0.00 0.00 174.94 175.09 1jri s ILE 28 N 1.47 5.12 -0.28 2.92 -1.09 0.29 -1.90 121.20 127.72 1jri s ILE 28 Ca 0.04 0.02 -0.10 0.00 -2.23 0.00 0.00 60.65 58.38 1jri s ILE 28 Cb -0.13 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1jri s ILE 28 CO -0.10 0.21 0.15 -0.75 -1.23 0.00 0.00 174.94 173.22 1jri s LYS 29 N 1.72 3.75 0.30 2.79 2.47 -0.51 -0.15 119.74 130.11 1jri s LYS 29 Ca 0.07 -0.44 0.04 0.00 -1.56 0.00 0.00 55.97 54.08 1jri s LYS 29 Cb -0.16 -3.56 -0.02 0.00 -1.46 0.00 0.00 37.83 32.63 1jri s LYS 29 CO 0.10 -0.23 0.45 -0.51 0.16 0.00 0.00 175.35 175.31 1jri s LEU 30 N 1.70 4.12 0.56 5.43 1.43 0.11 0.24 118.68 132.27 1jri s LEU 30 Ca 0.06 0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 53.07 1jri s LEU 30 Cb -0.16 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.07 1jri s LEU 30 CO 0.08 -0.26 1.20 -0.54 0.23 0.00 0.00 176.35 177.07 1jri s LYS 31 N -4.14 3.16 0.00 1.70 1.02 -0.03 -1.97 119.74 119.48 1jri s LYS 31 Ca 0.39 1.82 0.00 0.00 0.02 0.00 0.00 55.97 58.20 1jri s LYS 31 Cb -0.09 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 1jri s LYS 31 CO 0.32 -1.05 0.00 0.41 -0.92 0.00 0.00 175.35 174.10 1jri n GLY 32 N 0.46 0.78 2.55 -3.33 0.00 -1.26 -4.12 105.19 100.28 1jri n GLY 32 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.41 -4.77 1.61 9.92 -0.83 -5.04 116.55 116.02 1jri n ASP 33 Ca 0.00 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.90 1jri n ASP 33 Cb 0.00 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.20 1jri n ASP 33 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1jri s ARG 34 N -0.03 3.43 0.07 -1.24 3.52 -1.23 -4.79 118.95 118.68 1jri s ARG 34 Ca 0.00 1.67 0.08 0.00 -0.13 0.00 0.00 55.73 57.34 1jri s ARG 34 Cb 0.00 -2.10 -0.03 0.00 -1.56 0.00 0.00 34.95 31.26 1jri s ARG 34 CO 0.00 -0.80 -0.21 -1.21 -0.81 0.00 0.00 175.30 172.28 1jri s GLU 35 N -3.14 1.27 -0.01 5.12 2.02 -1.23 0.09 118.70 122.81 1jri s GLU 35 Ca 0.71 -1.02 0.01 0.00 0.02 0.00 0.00 54.97 54.69 1jri s GLU 35 Cb -0.25 -1.44 0.00 0.00 0.10 0.00 0.00 34.13 32.54 1jri s GLU 35 CO 0.29 0.35 -0.03 -0.06 0.02 0.00 0.00 175.26 175.83 1jri s PHE 36 N -0.94 0.38 0.03 1.61 0.40 0.78 -0.85 117.98 119.39 1jri s PHE 36 Ca 0.07 -0.07 0.07 0.00 -0.60 0.00 0.00 56.93 56.40 1jri s PHE 36 Cb -0.09 -0.29 -0.02 0.00 0.51 0.00 0.00 43.02 43.12 1jri s PHE 36 CO 0.03 -0.04 -0.20 0.50 0.70 0.00 0.00 175.22 176.20 1jri s ARG 37 N 0.16 1.42 0.00 0.44 3.52 -0.35 0.10 118.95 124.25 1jri s ARG 37 Ca -0.01 -0.89 0.00 0.00 -0.13 0.00 0.00 55.73 54.70 1jri s ARG 37 Cb -0.05 -1.50 0.00 0.00 -1.56 0.00 0.00 34.95 31.85 1jri s ARG 37 CO -0.00 0.39 0.00 0.41 -0.81 0.00 0.00 175.30 175.28 1jri n GLY 38 N 2.01 -1.39 3.53 8.12 0.00 -1.09 0.05 105.19 116.41 1jri n GLY 38 Ca -0.17 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.72 4.81 0.12 1.61 1.01 -0.79 -0.23 120.40 124.20 1jri s VAL 39 Ca 0.00 -0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 1jri s VAL 39 Cb 0.00 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 1jri s VAL 39 CO 0.00 0.31 1.54 -0.22 0.00 0.00 0.00 175.10 176.72 1jri s LEU 40 N 1.60 4.37 0.00 3.92 2.96 -0.74 -1.11 118.68 129.67 1jri s LEU 40 Ca 0.06 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.46 1jri s LEU 40 Cb -0.15 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1jri s LEU 40 CO 0.07 -0.79 0.15 0.29 -1.32 0.00 0.00 176.35 174.74 1jri n LYS 41 N 4.46 3.78 0.00 1.98 4.76 -0.14 -0.36 118.16 132.64 1jri n LYS 41 Ca 0.14 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1jri n LYS 41 Cb 0.40 -0.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.99 1jri n LYS 41 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1jri n SER 42 N -0.58 0.00 -3.68 4.39 3.41 -1.24 -4.93 113.62 110.99 1jri n SER 42 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1jri n SER 42 Cb 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.95 1jri n SER 42 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1jri s PHE 43 N -2.00 -0.09 0.38 7.33 -0.71 -1.26 -2.03 117.98 119.60 1jri s PHE 43 Ca 0.00 -0.10 0.06 0.00 -1.04 0.00 0.00 56.93 55.85 1jri s PHE 43 Cb 0.00 0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 42.37 1jri s PHE 43 CO 0.00 -0.52 0.23 -0.40 -1.34 0.00 0.00 175.22 173.18 1jri n ASP 44 N -0.47 0.18 0.03 1.98 3.85 -0.99 -4.97 116.55 116.16 1jri n ASP 44 Ca -0.07 -3.26 0.22 0.00 -0.71 0.00 0.00 54.79 50.97 1jri n ASP 44 Cb 0.62 1.42 0.72 0.00 -1.35 0.00 0.00 41.12 42.53 1jri n ASP 44 CO 0.00 0.00 0.00 0.17 -1.01 0.00 0.00 177.20 176.36 1jri h LEU 45 N 0.00 0.00 -1.06 -2.12 -0.00 -2.02 0.28 115.31 110.39 1jri h LEU 45 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 1jri h LEU 45 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 1jri h LEU 45 CO 0.43 0.00 0.00 1.41 -0.00 0.00 0.00 178.44 180.28 1jri n HIS 46 N -3.73 0.10 -1.31 0.17 8.25 -1.26 -4.90 115.22 112.54 1jri n HIS 46 Ca 0.10 -0.05 -0.11 0.00 -0.26 0.00 0.00 57.72 57.41 1jri n HIS 46 Cb 0.74 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.81 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 0.27 -0.89 -2.21 -0.41 2.81 0.98 -4.14 117.12 113.54 1jri n MET 47 Ca 0.18 0.84 -0.38 0.00 -1.81 0.00 0.00 57.70 56.54 1jri n MET 47 Cb 0.35 -4.84 -0.01 0.00 -0.71 0.00 0.00 33.22 28.01 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 -2.76 6.20 0.07 7.83 0.01 -1.26 -3.62 114.94 121.42 1jri s ASN 48 Ca 0.00 2.38 -0.15 0.00 -0.71 0.00 0.00 52.86 54.39 1jri s ASN 48 Cb 0.00 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.07 1jri s ASN 48 CO 0.00 -0.90 0.34 -1.48 -1.51 0.00 0.00 177.10 173.55 1jri s LEU 49 N -2.88 0.71 -0.18 0.60 0.05 -0.35 -2.36 118.68 114.27 1jri s LEU 49 Ca 0.62 -0.26 -0.03 0.00 0.05 0.00 0.00 54.13 54.51 1jri s LEU 49 Cb -0.31 1.54 -0.02 0.00 -2.05 0.00 0.00 46.19 45.35 1jri s LEU 49 CO 0.38 -0.71 -0.05 -0.69 -0.55 0.00 0.00 176.35 174.72 1jri s VAL 50 N -3.11 3.60 0.00 1.48 1.01 -0.86 -0.72 120.40 121.79 1jri s VAL 50 Ca -0.01 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1jri s VAL 50 Cb 0.01 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1jri s VAL 50 CO -0.07 0.47 -0.06 -0.76 0.00 0.00 0.00 175.10 174.68 1jri s LEU 51 N 0.78 3.21 0.07 3.92 1.43 0.30 -0.96 118.68 127.42 1jri s LEU 51 Ca -0.02 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.01 1jri s LEU 51 Cb -0.15 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1jri s LEU 51 CO 0.02 0.29 -0.07 0.20 0.23 0.00 0.00 176.35 177.01 1jri s ASN 52 N -1.41 4.60 -1.41 2.29 -0.87 -0.26 -0.78 114.94 117.08 1jri s ASN 52 Ca 0.17 -0.27 -0.07 0.00 -1.57 0.00 0.00 52.86 51.12 1jri s ASN 52 Cb -0.11 -0.98 0.01 0.00 -0.02 0.00 0.00 41.25 40.14 1jri s ASN 52 CO 0.08 0.21 0.32 0.47 -2.57 0.00 0.00 177.10 175.60 1jri n ASP 53 N 0.92 -0.79 -4.84 -1.22 8.00 -1.14 -1.89 116.55 115.58 1jri n ASP 53 Ca -0.13 -1.17 -0.35 0.00 0.71 0.00 0.00 54.79 53.85 1jri n ASP 53 Cb 0.52 -2.25 -0.06 0.00 -0.02 0.00 0.00 41.12 39.31 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 -4.03 3.49 -0.01 2.24 0.00 -0.09 -4.52 121.76 118.84 1jri s ALA 54 Ca 0.12 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1jri s ALA 54 Cb -0.06 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.44 1jri s ALA 54 CO 0.95 0.41 -0.04 -1.83 0.00 0.00 0.00 175.76 175.25 1jri s GLU 55 N -2.25 0.39 -0.23 0.00 -1.05 0.11 -1.78 118.70 113.89 1jri s GLU 55 Ca 0.43 -0.11 -0.26 0.00 -0.15 0.00 0.00 54.97 54.88 1jri s GLU 55 Cb -0.14 -0.41 -0.00 0.00 -0.44 0.00 0.00 34.13 33.14 1jri s GLU 55 CO 0.20 0.04 0.91 -2.00 0.95 0.00 0.00 175.26 175.35 1jri s GLU 56 N 0.20 4.23 0.20 -4.83 2.12 0.35 -1.22 118.70 119.75 1jri s GLU 56 Ca -0.02 1.11 0.05 0.00 0.36 0.00 0.00 54.97 56.48 1jri s GLU 56 Cb -0.05 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1jri s GLU 56 CO -0.00 -0.53 0.22 -0.51 -0.54 0.00 0.00 175.26 173.89 1jri s LEU 57 N 2.87 3.98 -0.09 2.70 1.02 -0.03 -0.22 118.68 128.92 1jri s LEU 57 Ca 0.39 -0.08 -0.04 0.00 0.02 0.00 0.00 54.13 54.42 1jri s LEU 57 Cb -0.15 -2.55 0.05 0.00 0.02 0.00 0.00 46.19 43.55 1jri s LEU 57 CO 0.08 0.01 0.17 -1.61 0.02 0.00 0.00 176.35 175.02 1jri s GLU 58 N -3.51 0.07 -0.27 1.70 2.02 -0.57 -3.52 118.70 114.62 1jri s GLU 58 Ca 0.33 0.55 0.00 0.00 0.02 0.00 0.00 54.97 55.87 1jri s GLU 58 Cb -0.09 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 33.92 1jri s GLU 58 CO 0.26 -0.27 0.00 -0.40 0.02 0.00 0.00 175.26 174.86 1jri n ASP 59 N 5.07 -1.53 0.00 -0.19 5.68 -1.26 0.12 116.55 124.44 1jri n ASP 59 Ca -0.10 0.36 0.00 0.00 -0.50 0.00 0.00 54.79 54.55 1jri n ASP 59 Cb 0.50 -1.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.00 1jri n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jri n GLY 60 N -0.48 0.78 3.17 6.12 0.00 -1.26 -5.07 105.19 108.45 1jri n GLY 60 Ca -0.03 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.69 3.05 0.33 1.61 0.41 0.33 -5.10 118.70 118.64 1jri s GLU 61 Ca 0.00 -0.82 -0.29 0.00 -0.41 0.00 0.00 54.97 53.45 1jri s GLU 61 Cb 0.00 -2.53 -0.11 0.00 -1.78 0.00 0.00 34.13 29.70 1jri s GLU 61 CO 0.00 -0.09 1.54 0.28 -0.49 0.00 0.00 175.26 176.50 1jri n VAL 62 N 4.30 1.43 -0.17 2.63 0.31 -1.26 -1.51 118.33 124.06 1jri n VAL 62 Ca -0.20 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1jri n VAL 62 Cb 0.51 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 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 1.41 0.00 -3.58 2.52 -2.24 0.69 -4.90 114.28 108.17 1jri n THR 63 Ca 0.06 -0.17 -0.02 0.00 -2.27 0.00 0.00 64.05 61.64 1jri n THR 63 Cb 0.37 1.17 -0.05 0.00 -2.10 0.00 0.00 70.33 69.72 1jri n THR 63 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1jri s ARG 64 N -0.26 0.48 -0.40 -0.78 1.81 -1.18 -4.96 118.95 113.66 1jri s ARG 64 Ca 0.00 1.00 -0.11 0.00 -1.72 0.00 0.00 55.73 54.90 1jri s ARG 64 Cb 0.00 0.38 0.05 0.00 -0.45 0.00 0.00 34.95 34.93 1jri s ARG 64 CO 0.00 -0.13 0.25 1.03 -0.68 0.00 0.00 175.30 175.76 1jri s ARG 65 N 2.07 2.75 0.05 3.54 0.52 -1.26 -0.50 118.95 126.12 1jri s ARG 65 Ca -0.07 -1.26 0.21 0.00 -0.52 0.00 0.00 55.73 54.09 1jri s ARG 65 Cb -0.07 -3.79 -0.19 0.00 0.52 0.00 0.00 34.95 31.42 1jri s ARG 65 CO -0.18 -0.84 0.69 1.28 0.02 0.00 0.00 175.30 176.28 1jri n LEU 66 N 4.98 0.40 0.00 2.53 4.77 -0.73 -5.03 117.00 123.92 1jri n LEU 66 Ca -0.11 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1jri n LEU 66 Cb 0.44 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1jri n LEU 66 CO 0.39 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1jri n GLY 67 N 1.28 0.46 3.73 -0.72 0.00 -1.17 -4.81 105.19 103.96 1jri n GLY 67 Ca -0.05 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 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 3.93 -0.07 2.61 2.01 -1.26 -0.91 115.64 121.95 1jri s THR 68 Ca 0.00 1.55 -0.08 0.00 0.31 0.00 0.00 61.69 63.47 1jri s THR 68 Cb 0.00 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.54 1jri s THR 68 CO 0.00 0.21 0.21 0.54 -0.69 0.00 0.00 174.62 174.89 1jri s VAL 69 N 0.27 0.01 -0.31 3.82 0.11 0.04 -4.98 120.40 119.35 1jri s VAL 69 Ca 0.53 -0.09 -0.10 0.00 -2.93 0.00 0.00 61.98 59.39 1jri s VAL 69 Cb -0.29 -0.33 -0.01 0.00 -1.53 0.00 0.00 36.38 34.21 1jri s VAL 69 CO 0.33 -0.05 0.16 -0.22 -3.33 0.00 0.00 175.10 171.99 1jri s LEU 70 N -0.09 4.11 -0.19 2.54 2.96 -1.26 -0.54 118.68 126.22 1jri s LEU 70 Ca -0.02 -0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 53.38 1jri s LEU 70 Cb -0.02 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 1jri s LEU 70 CO 0.01 -0.18 0.06 -0.63 -1.32 0.00 0.00 176.35 174.29 1jri s ILE 71 N 1.64 4.79 0.07 6.68 1.01 0.10 -4.94 121.20 130.55 1jri s ILE 71 Ca 0.05 -0.03 -0.31 0.00 0.00 0.00 0.00 60.65 60.36 1jri s ILE 71 Cb -0.17 -3.16 -0.06 0.00 0.01 0.00 0.00 42.46 39.08 1jri s ILE 71 CO 0.07 0.46 1.22 -0.13 0.00 0.00 0.00 174.94 176.56 1jri s ARG 72 N 0.41 4.42 0.40 2.79 0.52 -1.26 -1.22 118.95 125.02 1jri s ARG 72 Ca 0.03 1.81 0.08 0.00 -0.52 0.00 0.00 55.73 57.14 1jri s ARG 72 Cb -0.12 -3.33 0.86 0.00 0.52 0.00 0.00 34.95 32.88 1jri s ARG 72 CO 0.00 -0.28 2.01 0.78 0.02 0.00 0.00 175.30 177.84 1jri h GLY 73 N 6.76 0.68 0.63 -3.53 0.00 -1.72 -2.80 103.07 103.10 1jri h GLY 73 Ca -0.42 -0.23 0.18 0.00 0.00 0.00 0.00 47.33 46.86 1jri h GLY 73 CO 0.82 0.19 0.51 -1.80 0.00 0.00 0.00 176.54 176.26 1jri h ASP 74 N 0.58 0.00 1.47 0.19 3.58 -1.89 0.46 116.42 120.81 1jri h ASP 74 Ca 0.23 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 1jri h ASP 74 Cb 0.17 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 1jri h ASP 74 CO -0.06 0.00 -0.53 0.78 -2.88 0.00 0.00 179.24 176.55 1jri h ASN 75 N 0.00 0.00 -3.63 2.28 2.35 -1.90 -3.47 115.58 111.20 1jri h ASN 75 Ca 0.29 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.51 1jri h ASN 75 Cb 1.31 0.00 0.06 0.00 0.05 0.00 0.00 38.32 39.75 1jri h ASN 75 CO -0.00 0.03 0.71 -0.63 -1.65 0.00 0.00 177.43 175.89 1jri s ILE 76 N -3.27 2.63 -0.24 2.81 1.01 0.15 -0.85 121.20 123.44 1jri s ILE 76 Ca 0.03 0.58 -0.06 0.00 0.00 0.00 0.00 60.65 61.19 1jri s ILE 76 Cb 0.07 -3.37 -0.12 0.00 0.01 0.00 0.00 42.46 39.05 1jri s ILE 76 CO 0.73 0.11 -0.27 0.52 0.00 0.00 0.00 174.94 176.04 1jri n VAL 77 N 1.56 1.33 -3.51 2.92 0.31 0.14 -4.81 118.33 116.26 1jri n VAL 77 Ca 0.04 -0.41 -0.11 0.00 -0.01 0.00 0.00 64.34 63.85 1jri n VAL 77 Cb 0.41 -1.62 -0.02 0.00 -0.91 0.00 0.00 33.84 31.70 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 -2.45 -0.46 -0.07 3.52 -0.85 -1.12 -5.02 117.35 110.90 1jri s TYR 78 Ca -0.33 0.20 0.01 0.00 -0.52 0.00 0.00 57.07 56.43 1jri s TYR 78 Cb 0.11 0.58 0.02 0.00 0.38 0.00 0.00 41.96 43.05 1jri s TYR 78 CO 0.47 -0.93 -0.08 0.42 -1.52 0.00 0.00 175.55 173.92 1jri s ILE 79 N -3.79 0.86 0.07 -3.49 1.01 -1.26 -1.43 121.20 113.18 1jri s ILE 79 Ca 0.03 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.41 1jri s ILE 79 Cb -0.02 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1jri s ILE 79 CO -0.09 0.31 -0.06 -0.94 0.00 0.00 0.00 174.94 174.16 1jri s SER 80 N 1.03 0.86 0.38 3.58 1.04 -0.80 -4.95 113.70 114.84 1jri s SER 80 Ca -0.09 -0.91 -0.25 0.00 0.48 0.00 0.00 55.95 55.18 1jri s SER 80 Cb -0.14 0.12 -0.09 0.00 0.10 0.00 0.00 66.02 66.00 1jri s SER 80 CO -0.00 -0.46 1.10 -0.13 0.98 0.00 0.00 173.24 174.73 1jri s ARG 81 N -3.41 4.19 0.22 4.02 1.81 -1.26 0.57 118.95 125.09 1jri s ARG 81 Ca 0.06 1.67 -0.00 0.00 -1.72 0.00 0.00 55.73 55.74 1jri s ARG 81 Cb 0.03 -2.68 0.00 0.00 -0.45 0.00 0.00 34.95 31.85 1jri s ARG 81 CO -0.05 -0.15 0.29 0.41 -0.68 0.00 0.00 175.30 175.11 1jri n GLY 82 N 0.58 2.62 0.74 -3.53 0.00 -1.12 -4.75 105.19 99.73 1jri n GLY 82 Ca 0.04 -1.57 0.09 0.00 0.00 0.00 0.00 46.02 44.58 1jri n GLY 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49