#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jri n VAL 11 N 0.00 0.00 -0.21 3.44 0.24 -1.26 -2.34 118.33 118.20 1jri n VAL 11 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1jri n VAL 11 Cb 0.00 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 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 -0.31 -0.50 -3.35 7.34 6.02 -1.26 -4.87 117.38 120.46 1jri n GLN 12 Ca 0.00 -0.48 -0.26 0.00 -0.01 0.00 0.00 57.00 56.25 1jri n GLN 12 Cb 0.04 -0.90 -0.09 0.00 1.02 0.00 0.00 30.24 30.32 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 -0.04 0.51 0.00 -1.09 1.74 -0.99 -4.96 116.66 111.83 1jri n ARG 13 Ca 0.00 -3.30 0.04 0.00 -0.77 0.00 0.00 57.85 53.82 1jri n ARG 13 Cb 0.07 -1.57 0.18 0.00 -1.02 0.00 0.00 32.46 30.13 1jri n ARG 13 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1jri n PRO 14 N 2.27 0.03 0.22 5.56 -0.04 -1.26 -2.14 135.00 139.64 1jri n PRO 14 Ca 0.27 0.32 0.14 0.00 -0.04 0.00 0.00 63.50 64.18 1jri n PRO 14 Cb 0.49 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.83 1jri n PRO 14 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1jri h LEU 15 N 0.00 0.00 -2.41 1.53 3.38 -1.94 -2.92 115.31 112.95 1jri h LEU 15 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1jri h LEU 15 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1jri h LEU 15 CO 0.00 0.00 -0.03 0.44 0.09 0.00 0.00 178.44 178.94 1jri h ASP 16 N 0.00 0.00 -0.78 -0.43 3.32 -1.82 0.30 116.42 117.01 1jri h ASP 16 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1jri h ASP 16 Cb 0.77 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.28 1jri h ASP 16 CO 0.00 0.03 0.51 0.00 -1.72 0.00 0.00 179.24 178.06 1jri h ALA 17 N 1.97 1.50 -0.47 3.45 0.00 -1.73 0.20 119.26 124.18 1jri h ALA 17 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jri h ALA 17 Cb 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1jri h ALA 17 CO 0.00 0.44 0.28 -0.07 0.00 0.00 0.00 179.25 179.90 1jri h LEU 18 N 0.99 0.56 -0.38 0.00 3.38 -0.60 -2.98 115.31 116.28 1jri h LEU 18 Ca 0.30 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.25 1jri h LEU 18 Cb -0.02 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 1jri h LEU 18 CO -0.08 0.46 -0.42 1.23 0.09 0.00 0.00 178.44 179.72 1jri h GLY 19 N 0.62 -1.26 0.95 0.83 0.00 -0.43 0.56 103.07 104.34 1jri h GLY 19 Ca 0.17 0.77 0.00 0.00 0.00 0.00 0.00 47.33 48.27 1jri h GLY 19 CO -0.03 -0.27 0.01 0.70 0.00 0.00 0.00 176.54 176.95 1jri n ASN 20 N -4.70 0.00 -0.02 0.19 3.02 -0.85 -0.42 115.26 112.49 1jri n ASN 20 Ca -0.02 0.06 0.06 0.00 -0.03 0.00 0.00 54.58 54.65 1jri n ASN 20 Cb 0.25 -0.06 -0.07 0.00 -0.61 0.00 0.00 39.78 39.29 1jri n ASN 20 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1jri n SER 21 N -0.99 0.63 -4.57 6.41 7.64 0.19 -4.97 113.62 117.98 1jri n SER 21 Ca 0.00 -0.82 -0.45 0.00 1.01 0.00 0.00 58.87 58.62 1jri n SER 21 Cb 0.01 0.97 -0.01 0.00 -1.01 0.00 0.00 64.21 64.17 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 1.44 -0.93 -3.43 4.77 0.44 -0.73 117.00 117.34 1jri n LEU 22 Ca 0.03 1.16 -0.12 0.00 -0.03 0.00 0.00 56.01 57.04 1jri n LEU 22 Cb 0.20 -1.25 -0.05 0.00 -2.33 0.00 0.00 43.42 39.99 1jri n LEU 22 CO 0.25 -1.63 -0.12 0.59 -1.33 0.00 0.00 177.39 175.16 1jri n ASN 23 N 1.27 -5.13 -4.43 -1.43 4.13 0.36 -4.95 115.26 105.08 1jri n ASN 23 Ca 0.10 0.30 -0.22 0.00 1.68 0.00 0.00 54.58 56.45 1jri n ASN 23 Cb 0.32 -3.69 -0.10 0.00 -1.54 0.00 0.00 39.78 34.76 1jri n ASN 23 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1jri s SER 24 N -2.59 3.06 0.41 6.41 0.01 0.09 -4.85 113.70 116.25 1jri s SER 24 Ca 0.00 -1.10 -0.23 0.00 1.31 0.00 0.00 55.95 55.92 1jri s SER 24 Cb 0.00 -0.22 -0.09 0.00 0.21 0.00 0.00 66.02 65.92 1jri s SER 24 CO 0.00 -0.18 1.03 -2.84 0.41 0.00 0.00 173.24 171.67 1jri s PRO 25 N -3.63 4.12 0.13 12.44 0.02 -1.26 -0.15 135.00 146.67 1jri s PRO 25 Ca 0.28 1.45 -0.10 0.00 0.02 0.00 0.00 61.00 62.65 1jri s PRO 25 Cb 0.00 -2.45 0.00 0.00 0.02 0.00 0.00 34.50 32.07 1jri s PRO 25 CO 0.12 -0.16 0.27 0.14 -0.33 0.00 0.00 177.00 177.03 1jri s VAL 26 N -1.75 0.09 -0.13 3.83 -7.23 0.44 -4.86 120.40 110.79 1jri s VAL 26 Ca 0.59 -1.19 0.02 0.00 -1.81 0.00 0.00 61.98 59.59 1jri s VAL 26 Cb -0.20 -1.56 0.01 0.00 0.56 0.00 0.00 36.38 35.19 1jri s VAL 26 CO 0.25 -0.43 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.77 1jri s ILE 27 N -3.90 1.93 -0.23 -0.62 1.01 -0.17 -2.28 121.20 116.94 1jri s ILE 27 Ca 0.10 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 1jri s ILE 27 Cb 0.04 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 1jri s ILE 27 CO -0.06 0.53 0.05 -0.63 0.00 0.00 0.00 174.94 174.83 1jri s ILE 28 N 0.82 4.29 -0.35 2.92 -1.09 0.14 -1.96 121.20 125.98 1jri s ILE 28 Ca -0.08 -0.19 -0.15 0.00 -2.23 0.00 0.00 60.65 58.01 1jri s ILE 28 Cb -0.16 -2.98 -0.01 0.00 -1.58 0.00 0.00 42.46 37.74 1jri s ILE 28 CO -0.01 0.38 0.32 -0.75 -1.23 0.00 0.00 174.94 173.65 1jri s LYS 29 N 1.28 3.49 0.44 2.79 2.47 -0.63 -1.02 119.74 128.56 1jri s LYS 29 Ca 0.05 -0.54 -0.03 0.00 -1.56 0.00 0.00 55.97 53.89 1jri s LYS 29 Cb -0.15 -3.82 -0.03 0.00 -1.46 0.00 0.00 37.83 32.37 1jri s LYS 29 CO 0.03 -0.52 0.71 -0.51 0.16 0.00 0.00 175.35 175.21 1jri s LEU 30 N 1.91 3.72 0.11 5.43 1.43 0.15 -0.17 118.68 131.26 1jri s LEU 30 Ca 0.10 0.69 -0.31 0.00 -1.03 0.00 0.00 54.13 53.58 1jri s LEU 30 Cb -0.17 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.37 1jri s LEU 30 CO 0.11 -0.54 1.37 -0.54 0.23 0.00 0.00 176.35 176.99 1jri s LYS 31 N -4.61 4.33 0.00 1.70 1.02 -0.21 -2.07 119.74 119.91 1jri s LYS 31 Ca 0.46 2.05 0.00 0.00 0.02 0.00 0.00 55.97 58.49 1jri s LYS 31 Cb -0.10 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 1jri s LYS 31 CO 0.41 -0.41 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 1jri n GLY 32 N 3.43 0.97 3.82 -3.33 0.00 -1.26 -4.42 105.19 104.39 1jri n GLY 32 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.05 0.00 -4.68 1.61 8.00 -0.88 -4.98 116.55 115.66 1jri n ASP 33 Ca 0.00 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.06 1jri n ASP 33 Cb 0.00 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.54 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 -1.96 2.21 -5.03 -1.24 5.12 -1.25 -4.68 116.66 109.83 1jri n ARG 34 Ca 0.00 0.79 -0.32 0.00 -1.93 0.00 0.00 57.85 56.39 1jri n ARG 34 Cb 0.00 -2.51 -0.14 0.00 -1.16 0.00 0.00 32.46 28.65 1jri n ARG 34 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1jri s GLU 35 N 0.02 2.44 0.06 5.56 2.02 -1.21 0.30 118.70 127.89 1jri s GLU 35 Ca 0.71 -0.78 0.06 0.00 0.02 0.00 0.00 54.97 54.98 1jri s GLU 35 Cb -0.62 -2.28 -0.03 0.00 0.10 0.00 0.00 34.13 31.30 1jri s GLU 35 CO 0.45 0.56 -0.16 -0.06 0.02 0.00 0.00 175.26 176.07 1jri s PHE 36 N -0.59 1.41 -0.02 1.61 0.40 -0.19 0.11 117.98 120.70 1jri s PHE 36 Ca 0.09 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 56.01 1jri s PHE 36 Cb -0.11 -0.81 0.02 0.00 0.51 0.00 0.00 43.02 42.63 1jri s PHE 36 CO 0.01 0.08 0.04 1.03 0.70 0.00 0.00 175.22 177.08 1jri s ARG 37 N -1.49 0.00 0.00 0.44 0.52 0.15 0.26 118.95 118.83 1jri s ARG 37 Ca 0.02 0.14 -0.25 0.00 -0.52 0.00 0.00 55.73 55.12 1jri s ARG 37 Cb -0.09 -0.13 0.08 0.00 0.52 0.00 0.00 34.95 35.33 1jri s ARG 37 CO 0.02 -0.10 1.14 0.41 0.02 0.00 0.00 175.30 176.79 1jri n GLY 38 N 3.71 0.30 3.66 -3.53 0.00 -0.97 -0.66 105.19 107.71 1jri n GLY 38 Ca -0.21 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.04 5.04 0.09 1.61 1.01 -0.62 -0.42 120.40 125.08 1jri s VAL 39 Ca 0.27 1.13 -0.30 0.00 0.00 0.00 0.00 61.98 63.07 1jri s VAL 39 Cb -0.01 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 1jri s VAL 39 CO 0.00 0.13 1.18 -0.22 0.00 0.00 0.00 175.10 176.19 1jri s LEU 40 N 1.85 4.40 0.00 3.92 2.96 0.78 -1.11 118.68 131.49 1jri s LEU 40 Ca 0.27 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 56.23 1jri s LEU 40 Cb -0.16 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1jri s LEU 40 CO 0.10 -0.42 0.02 0.29 -1.32 0.00 0.00 176.35 175.03 1jri n LYS 41 N 3.53 3.53 -3.59 1.98 5.02 -0.49 0.14 118.16 128.27 1jri n LYS 41 Ca 0.07 -0.02 -0.04 0.00 -2.02 0.00 0.00 58.31 56.30 1jri n LYS 41 Cb 0.46 -0.32 -0.02 0.00 -0.02 0.00 0.00 35.03 35.14 1jri n LYS 41 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1jri s SER 42 N -0.51 -0.19 -0.24 4.39 0.15 -1.22 -4.88 113.70 111.20 1jri s SER 42 Ca 0.00 -0.08 -0.35 0.00 0.70 0.00 0.00 55.95 56.22 1jri s SER 42 Cb 0.00 0.25 0.15 0.00 -1.71 0.00 0.00 66.02 64.72 1jri s SER 42 CO 0.00 -0.43 1.28 0.72 1.20 0.00 0.00 173.24 176.01 1jri s PHE 43 N -2.72 -0.08 0.44 3.44 -0.71 -1.26 -2.54 117.98 114.55 1jri s PHE 43 Ca 0.09 0.08 0.05 0.00 -1.04 0.00 0.00 56.93 56.11 1jri s PHE 43 Cb 0.00 0.50 -0.05 0.00 -1.21 0.00 0.00 43.02 42.26 1jri s PHE 43 CO -0.05 -0.12 0.01 0.16 -1.34 0.00 0.00 175.22 173.88 1jri s ASP 44 N -1.87 3.91 0.38 1.98 1.47 -0.96 -4.97 116.67 116.62 1jri s ASP 44 Ca 0.10 -1.48 0.23 0.00 1.18 0.00 0.00 52.55 52.58 1jri s ASP 44 Cb -0.01 -0.04 1.25 0.00 -0.34 0.00 0.00 42.92 43.78 1jri s ASP 44 CO -0.04 -0.61 1.68 0.17 0.68 0.00 0.00 175.17 177.05 1jri h LEU 45 N 1.62 0.00 -0.42 2.11 -0.00 -2.03 0.39 115.31 117.00 1jri h LEU 45 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 1jri h LEU 45 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 1jri h LEU 45 CO 0.78 0.00 -0.30 1.41 -0.00 0.00 0.00 178.44 180.33 1jri n HIS 46 N -2.35 0.00 -1.07 0.17 8.25 -1.26 -4.93 115.22 114.04 1jri n HIS 46 Ca -0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.42 1jri n HIS 46 Cb 0.12 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 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 -0.79 -0.17 -2.40 -0.41 2.81 0.14 -4.36 117.12 111.94 1jri n MET 47 Ca 0.11 0.56 -0.41 0.00 -1.81 0.00 0.00 57.70 56.15 1jri n MET 47 Cb 0.35 -4.14 -0.04 0.00 -0.71 0.00 0.00 33.22 28.68 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 -2.92 7.13 0.18 7.83 0.01 -1.26 -3.55 114.94 122.36 1jri s ASN 48 Ca 0.00 2.24 -0.01 0.00 -0.71 0.00 0.00 52.86 54.37 1jri s ASN 48 Cb 0.00 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 1jri s ASN 48 CO 0.00 -0.31 0.12 -1.48 -1.51 0.00 0.00 177.10 173.91 1jri s LEU 49 N -0.55 1.34 -0.05 0.60 0.05 -0.28 -2.26 118.68 117.54 1jri s LEU 49 Ca 0.51 -1.30 0.05 0.00 0.05 0.00 0.00 54.13 53.43 1jri s LEU 49 Cb -0.32 0.40 -0.01 0.00 -2.05 0.00 0.00 46.19 44.21 1jri s LEU 49 CO 0.38 -0.81 -0.21 -0.69 -0.55 0.00 0.00 176.35 174.47 1jri s VAL 50 N -4.11 1.73 0.06 1.48 1.01 -1.05 -0.26 120.40 119.26 1jri s VAL 50 Ca 0.33 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1jri s VAL 50 Cb 0.07 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1jri s VAL 50 CO 0.08 0.49 -0.20 -0.76 0.00 0.00 0.00 175.10 174.71 1jri s LEU 51 N -0.04 2.20 0.14 3.92 1.43 -0.45 -1.40 118.68 124.49 1jri s LEU 51 Ca -0.04 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 52.56 1jri s LEU 51 Cb -0.13 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.14 1jri s LEU 51 CO 0.03 0.12 0.02 0.20 0.23 0.00 0.00 176.35 176.95 1jri s ASN 52 N -1.38 5.00 -1.52 2.29 0.01 -0.26 -1.50 114.94 117.58 1jri s ASN 52 Ca 0.06 -0.26 -0.12 0.00 -0.71 0.00 0.00 52.86 51.83 1jri s ASN 52 Cb -0.09 -1.16 0.08 0.00 0.41 0.00 0.00 41.25 40.49 1jri s ASN 52 CO 0.02 0.12 0.92 0.47 -1.51 0.00 0.00 177.10 177.12 1jri n ASP 53 N 0.12 -4.11 -4.82 -1.22 10.43 -0.64 -1.59 116.55 114.72 1jri n ASP 53 Ca -0.10 -0.81 -0.33 0.00 2.57 0.00 0.00 54.79 56.12 1jri n ASP 53 Cb 0.54 -3.78 -0.07 0.00 1.84 0.00 0.00 41.12 39.65 1jri n ASP 53 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jri s ALA 54 N -3.37 3.06 -0.08 2.24 0.00 0.17 -4.52 121.76 119.26 1jri s ALA 54 Ca 0.57 0.36 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 1jri s ALA 54 Cb -0.29 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 19.74 1jri s ALA 54 CO 0.84 0.14 0.20 -1.83 0.00 0.00 0.00 175.76 175.11 1jri s GLU 55 N -3.19 0.20 -0.14 0.00 -1.05 0.17 -1.79 118.70 112.90 1jri s GLU 55 Ca 0.61 0.36 -0.10 0.00 -0.15 0.00 0.00 54.97 55.69 1jri s GLU 55 Cb -0.09 0.00 -0.05 0.00 -0.44 0.00 0.00 34.13 33.56 1jri s GLU 55 CO 0.14 -0.09 0.19 -2.00 0.95 0.00 0.00 175.26 174.45 1jri s GLU 56 N 0.59 3.89 0.40 -4.83 2.12 0.19 -0.67 118.70 120.39 1jri s GLU 56 Ca -0.04 -0.06 0.07 0.00 0.36 0.00 0.00 54.97 55.30 1jri s GLU 56 Cb -0.05 -3.31 -0.06 0.00 0.26 0.00 0.00 34.13 30.97 1jri s GLU 56 CO -0.03 0.51 0.14 -0.51 -0.54 0.00 0.00 175.26 174.83 1jri s LEU 57 N -0.29 3.08 -0.38 2.70 1.02 0.29 -0.65 118.68 124.45 1jri s LEU 57 Ca 0.14 -1.10 0.03 0.00 0.02 0.00 0.00 54.13 53.22 1jri s LEU 57 Cb -0.12 -1.37 0.16 0.00 0.02 0.00 0.00 46.19 44.88 1jri s LEU 57 CO 0.03 -0.50 0.38 -0.70 0.02 0.00 0.00 176.35 175.58 1jri s GLU 58 N -3.86 0.67 -0.51 1.70 2.12 -0.04 -3.33 118.70 115.45 1jri s GLU 58 Ca 0.40 -0.98 -0.02 0.00 0.36 0.00 0.00 54.97 54.73 1jri s GLU 58 Cb 0.04 -0.77 0.00 0.00 0.26 0.00 0.00 34.13 33.67 1jri s GLU 58 CO 0.22 -1.22 0.51 -0.25 -0.54 0.00 0.00 175.26 173.98 1jri n ASP 59 N 4.09 -6.33 0.00 -1.70 9.92 -1.26 -3.47 116.55 117.80 1jri n ASP 59 Ca 0.13 0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1jri n ASP 59 Cb 0.45 -4.22 0.00 0.00 -0.64 0.00 0.00 41.12 36.72 1jri n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jri n GLY 60 N -1.36 0.37 3.17 0.44 0.00 -1.26 -4.92 105.19 101.64 1jri n GLY 60 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.29 2.96 0.21 1.61 0.41 -1.23 -5.09 118.70 117.29 1jri s GLU 61 Ca 0.00 -0.87 -0.32 0.00 -0.41 0.00 0.00 54.97 53.37 1jri s GLU 61 Cb 0.00 -2.78 -0.12 0.00 -1.78 0.00 0.00 34.13 29.45 1jri s GLU 61 CO 0.00 -0.29 1.73 0.08 -0.49 0.00 0.00 175.26 176.29 1jri s VAL 62 N 1.32 2.00 -0.08 2.63 1.01 -1.26 -0.86 120.40 125.16 1jri s VAL 62 Ca 0.03 0.00 0.20 0.00 0.00 0.00 0.00 61.98 62.21 1jri s VAL 62 Cb -0.15 -3.00 -0.30 0.00 0.00 0.00 0.00 36.38 32.93 1jri s VAL 62 CO -0.08 0.00 0.34 0.35 0.00 0.00 0.00 175.10 175.71 1jri n THR 63 N 3.97 0.39 -3.53 3.92 -2.24 0.18 -4.87 114.28 112.10 1jri n THR 63 Ca 0.16 -0.58 -0.18 0.00 -2.27 0.00 0.00 64.05 61.18 1jri n THR 63 Cb 0.35 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 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 -3.16 1.04 -0.19 -0.78 0.52 -1.11 -5.02 118.95 110.25 1jri s ARG 64 Ca -0.08 0.32 0.01 0.00 -0.52 0.00 0.00 55.73 55.45 1jri s ARG 64 Cb 0.11 0.49 0.03 0.00 0.52 0.00 0.00 34.95 36.10 1jri s ARG 64 CO 0.85 -0.31 -0.15 1.03 0.02 0.00 0.00 175.30 176.73 1jri s ARG 65 N -1.07 2.51 -0.05 3.54 0.52 -1.26 -0.63 118.95 122.51 1jri s ARG 65 Ca -0.10 -0.84 0.12 0.00 -0.52 0.00 0.00 55.73 54.38 1jri s ARG 65 Cb -0.00 -2.47 0.35 0.00 0.52 0.00 0.00 34.95 33.35 1jri s ARG 65 CO 0.09 -0.32 1.29 1.28 0.02 0.00 0.00 175.30 177.67 1jri n LEU 66 N 4.64 3.14 0.00 2.53 4.77 -0.74 -4.99 117.00 126.35 1jri n LEU 66 Ca -0.18 -2.26 0.00 0.00 -0.03 0.00 0.00 56.01 53.54 1jri n LEU 66 Cb 0.48 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1jri n LEU 66 CO 0.23 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1jri n GLY 67 N 0.23 1.04 3.65 -0.72 0.00 -1.17 -4.44 105.19 103.77 1jri n GLY 67 Ca 0.14 0.52 -0.38 0.00 0.00 0.00 0.00 46.02 46.30 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 5.25 -0.00 2.61 2.01 -1.26 0.42 115.64 124.66 1jri s THR 68 Ca 0.00 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.49 1jri s THR 68 Cb 0.00 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.87 1jri s THR 68 CO 0.00 0.26 -0.01 0.54 -0.69 0.00 0.00 174.62 174.72 1jri s VAL 69 N 1.43 0.13 -0.26 3.82 0.11 -0.56 -4.98 120.40 120.08 1jri s VAL 69 Ca 0.14 -0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 59.03 1jri s VAL 69 Cb -0.15 -0.13 -0.05 0.00 -1.53 0.00 0.00 36.38 34.53 1jri s VAL 69 CO 0.07 0.05 0.17 -0.22 -3.33 0.00 0.00 175.10 171.84 1jri s LEU 70 N 0.09 4.03 -0.11 2.54 2.96 -1.26 -1.34 118.68 125.59 1jri s LEU 70 Ca -0.01 0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1jri s LEU 70 Cb -0.02 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 1jri s LEU 70 CO -0.00 -0.00 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.33 1jri s ILE 71 N 1.46 3.68 -0.07 6.68 1.01 0.64 -4.98 121.20 129.63 1jri s ILE 71 Ca 0.07 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 59.97 1jri s ILE 71 Cb -0.15 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 1jri s ILE 71 CO 0.08 0.54 0.99 -0.13 0.00 0.00 0.00 174.94 176.43 1jri s ARG 72 N -0.16 4.47 0.52 2.79 0.52 -1.26 -1.13 118.95 124.70 1jri s ARG 72 Ca 0.02 1.40 0.17 0.00 -0.52 0.00 0.00 55.73 56.80 1jri s ARG 72 Cb -0.13 -3.51 1.28 0.00 0.52 0.00 0.00 34.95 33.11 1jri s ARG 72 CO 0.03 -0.22 2.12 0.78 0.02 0.00 0.00 175.30 178.03 1jri h GLY 73 N 7.56 0.02 1.34 -3.53 0.00 -1.76 -2.60 103.07 104.10 1jri h GLY 73 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1jri h GLY 73 CO 0.82 0.01 0.33 -1.80 0.00 0.00 0.00 176.54 175.89 1jri h ASP 74 N 0.01 0.00 -0.02 0.19 3.58 -1.88 0.11 116.42 118.42 1jri h ASP 74 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1jri h ASP 74 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1jri h ASP 74 CO -0.00 0.00 -0.30 0.59 -2.88 0.00 0.00 179.24 176.65 1jri n ASN 75 N -2.88 2.28 -4.76 2.28 3.02 -0.98 -4.97 115.26 109.24 1jri n ASN 75 Ca -0.02 -1.64 -0.40 0.00 -0.03 0.00 0.00 54.58 52.50 1jri n ASN 75 Cb 0.38 0.32 -0.06 0.00 -0.61 0.00 0.00 39.78 39.80 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 -2.21 4.22 -0.14 2.41 1.01 0.38 -1.04 121.20 125.83 1jri s ILE 76 Ca 0.21 1.89 -0.12 0.00 0.00 0.00 0.00 60.65 62.63 1jri s ILE 76 Cb 0.18 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1jri s ILE 76 CO 0.46 0.50 -0.24 0.52 0.00 0.00 0.00 174.94 176.17 1jri n VAL 77 N 1.51 1.20 -3.85 2.92 0.31 0.76 -4.84 118.33 116.33 1jri n VAL 77 Ca -0.04 0.23 -0.09 0.00 -0.01 0.00 0.00 64.34 64.43 1jri n VAL 77 Cb 0.48 -2.20 -0.06 0.00 -0.91 0.00 0.00 33.84 31.14 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 -2.38 0.16 -0.06 3.52 -0.85 -1.21 -5.03 117.35 111.50 1jri s TYR 78 Ca -0.20 -0.54 0.01 0.00 -0.52 0.00 0.00 57.07 55.82 1jri s TYR 78 Cb 0.03 0.04 0.02 0.00 0.38 0.00 0.00 41.96 42.43 1jri s TYR 78 CO 0.29 -0.68 -0.06 0.42 -1.52 0.00 0.00 175.55 174.01 1jri s ILE 79 N -3.89 0.72 0.00 -3.49 1.01 -1.26 -1.61 121.20 112.68 1jri s ILE 79 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1jri s ILE 79 Cb 0.03 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.76 1jri s ILE 79 CO -0.06 0.28 0.44 -1.54 0.00 0.00 0.00 174.94 174.06