#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jri s ARG 13 N 0.00 4.08 0.06 -1.09 0.52 -1.26 -4.80 118.95 116.45 1jri s ARG 13 Ca 0.00 0.62 -0.11 0.00 -0.52 0.00 0.00 55.73 55.72 1jri s ARG 13 Cb 0.00 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 1jri s ARG 13 CO 0.00 0.47 0.68 -2.30 0.02 0.00 0.00 175.30 174.17 1jri n PRO 14 N 0.89 -0.16 -0.36 3.54 -0.02 -1.26 0.27 135.00 137.89 1jri n PRO 14 Ca -0.05 0.67 0.03 0.00 -2.02 0.00 0.00 63.50 62.12 1jri n PRO 14 Cb 0.51 -0.98 0.18 0.00 -0.02 0.00 0.00 33.50 33.20 1jri n PRO 14 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jri h LEU 15 N 0.00 1.03 -0.37 2.45 3.38 -2.00 0.11 115.31 119.91 1jri h LEU 15 Ca 0.06 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1jri h LEU 15 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1jri h LEU 15 CO -0.35 0.66 0.08 0.44 0.09 0.00 0.00 178.44 179.36 1jri h ASP 16 N 1.16 0.57 -0.79 -0.43 3.45 -0.57 -2.62 116.42 117.20 1jri h ASP 16 Ca 0.42 -0.24 0.02 0.00 0.43 0.00 0.00 57.03 57.67 1jri h ASP 16 Cb 0.16 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 38.74 1jri h ASP 16 CO -0.17 0.67 0.52 0.00 -1.57 0.00 0.00 179.24 178.70 1jri h ALA 17 N 0.93 1.48 -1.00 3.45 0.00 0.03 -0.83 119.26 123.33 1jri h ALA 17 Ca 0.12 -0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.17 1jri h ALA 17 Cb 0.33 -0.30 -0.10 0.00 0.00 0.00 0.00 17.79 17.72 1jri h ALA 17 CO 0.00 0.45 0.61 1.25 0.00 0.00 0.00 179.25 181.57 1jri h LEU 18 N 1.02 0.77 -0.85 0.00 6.46 -0.43 -0.36 115.31 121.92 1jri h LEU 18 Ca 0.30 0.09 0.18 0.00 -0.12 0.00 0.00 57.88 58.34 1jri h LEU 18 Cb -0.03 -0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 39.74 1jri h LEU 18 CO -0.08 0.27 0.36 1.23 -0.62 0.00 0.00 178.44 179.60 1jri h GLY 19 N 0.75 1.38 1.77 3.75 0.00 -1.09 0.16 103.07 109.78 1jri h GLY 19 Ca 0.57 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1jri h GLY 19 CO -0.37 -0.18 0.08 0.70 0.00 0.00 0.00 176.54 176.77 1jri n ASN 20 N -5.02 0.46 0.00 0.19 3.02 -0.15 -0.43 115.26 113.34 1jri n ASN 20 Ca 0.19 0.69 0.11 0.00 -0.03 0.00 0.00 54.58 55.53 1jri n ASN 20 Cb 0.55 -0.72 0.03 0.00 -0.61 0.00 0.00 39.78 39.03 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 -2.15 0.75 -4.65 6.41 7.64 0.54 -4.91 113.62 117.25 1jri n SER 21 Ca -0.01 -0.62 -0.49 0.00 1.01 0.00 0.00 58.87 58.77 1jri n SER 21 Cb 0.11 0.71 -0.05 0.00 -1.01 0.00 0.00 64.21 63.98 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 -1.56 3.27 0.00 -3.43 4.77 0.42 -0.83 117.00 119.63 1jri n LEU 22 Ca 0.04 0.86 0.00 0.00 -0.03 0.00 0.00 56.01 56.88 1jri n LEU 22 Cb 0.35 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 1jri n LEU 22 CO 0.40 -0.18 0.00 0.59 -1.33 0.00 0.00 177.39 176.87 1jri n ASN 23 N 7.34 -1.19 -4.15 -1.43 3.02 0.29 -5.01 115.26 114.12 1jri n ASN 23 Ca 0.25 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.70 1jri n ASN 23 Cb 0.29 -0.37 -0.10 0.00 -0.61 0.00 0.00 39.78 38.99 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 -2.73 1.07 0.29 6.41 0.01 -0.01 -4.93 113.70 113.80 1jri s SER 24 Ca 0.00 -0.94 -0.29 0.00 1.31 0.00 0.00 55.95 56.03 1jri s SER 24 Cb 0.00 0.09 -0.10 0.00 0.21 0.00 0.00 66.02 66.22 1jri s SER 24 CO 0.00 -0.44 1.19 -2.84 0.41 0.00 0.00 173.24 171.56 1jri s PRO 25 N -3.52 4.52 0.14 12.44 0.02 -1.26 -2.38 135.00 144.96 1jri s PRO 25 Ca 0.09 1.96 -0.04 0.00 0.02 0.00 0.00 61.00 63.03 1jri s PRO 25 Cb 0.03 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 31.38 1jri s PRO 25 CO -0.04 0.04 0.15 0.14 -0.33 0.00 0.00 177.00 176.95 1jri s VAL 26 N -1.04 0.09 -0.07 3.83 -7.23 -0.60 -3.30 120.40 112.08 1jri s VAL 26 Ca 0.47 -1.70 0.05 0.00 -1.81 0.00 0.00 61.98 58.99 1jri s VAL 26 Cb -0.35 -1.96 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 1jri s VAL 26 CO 0.45 -0.40 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.98 1jri s ILE 27 N -4.02 1.91 -0.19 -0.62 1.01 0.16 -2.57 121.20 116.89 1jri s ILE 27 Ca 0.21 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 1jri s ILE 27 Cb 0.06 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1jri s ILE 27 CO 0.01 0.53 -0.02 -0.63 0.00 0.00 0.00 174.94 174.83 1jri s ILE 28 N 0.04 3.83 -0.26 2.92 -1.09 0.53 -1.74 121.20 125.44 1jri s ILE 28 Ca -0.08 -0.36 -0.03 0.00 -2.23 0.00 0.00 60.65 57.95 1jri s ILE 28 Cb -0.15 -2.72 0.02 0.00 -1.58 0.00 0.00 42.46 38.03 1jri s ILE 28 CO 0.05 0.44 -0.02 -0.75 -1.23 0.00 0.00 174.94 173.44 1jri s LYS 29 N 0.90 2.96 0.46 2.79 2.47 -0.72 -0.45 119.74 128.15 1jri s LYS 29 Ca 0.00 -0.91 0.02 0.00 -1.56 0.00 0.00 55.97 53.53 1jri s LYS 29 Cb -0.14 -3.11 0.01 0.00 -1.46 0.00 0.00 37.83 33.13 1jri s LYS 29 CO 0.02 -0.39 0.66 -0.51 0.16 0.00 0.00 175.35 175.29 1jri s LEU 30 N 1.39 3.57 0.26 5.43 1.43 -0.03 -0.39 118.68 130.34 1jri s LEU 30 Ca 0.01 0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.85 1jri s LEU 30 Cb -0.17 -2.94 -0.10 0.00 0.03 0.00 0.00 46.19 43.01 1jri s LEU 30 CO -0.02 -0.82 1.34 -0.54 0.23 0.00 0.00 176.35 176.54 1jri s LYS 31 N -4.55 4.36 0.00 1.70 1.02 0.03 -1.89 119.74 120.42 1jri s LYS 31 Ca 0.52 2.16 0.00 0.00 0.02 0.00 0.00 55.97 58.67 1jri s LYS 31 Cb -0.10 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 1jri s LYS 31 CO 0.36 -0.26 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 1jri n GLY 32 N 1.80 0.56 2.30 -3.33 0.00 -1.26 -4.43 105.19 100.84 1jri n GLY 32 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.86 -4.77 1.61 8.00 -0.79 -5.01 116.55 111.73 1jri n ASP 33 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 1jri n ASP 33 Cb 0.00 -1.38 -0.01 0.00 -0.02 0.00 0.00 41.12 39.71 1jri n ASP 33 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1jri s ARG 34 N -0.59 4.10 -0.05 -1.24 1.81 -1.24 -4.82 118.95 116.92 1jri s ARG 34 Ca 0.00 2.17 0.02 0.00 -1.72 0.00 0.00 55.73 56.20 1jri s ARG 34 Cb 0.00 -2.86 0.01 0.00 -0.45 0.00 0.00 34.95 31.65 1jri s ARG 34 CO 0.00 -0.39 -0.11 -2.00 -0.68 0.00 0.00 175.30 172.12 1jri s GLU 35 N -2.10 1.46 0.06 3.54 2.12 -1.24 -0.85 118.70 121.69 1jri s GLU 35 Ca 0.54 -0.37 0.09 0.00 0.36 0.00 0.00 54.97 55.60 1jri s GLU 35 Cb -0.38 -1.25 -0.03 0.00 0.26 0.00 0.00 34.13 32.72 1jri s GLU 35 CO 0.50 0.04 -0.25 -0.06 -0.54 0.00 0.00 175.26 174.95 1jri s PHE 36 N 0.57 2.21 -0.03 5.30 0.40 0.40 0.61 117.98 127.45 1jri s PHE 36 Ca -0.12 -0.40 0.05 0.00 -0.60 0.00 0.00 56.93 55.87 1jri s PHE 36 Cb -0.14 -1.30 -0.01 0.00 0.51 0.00 0.00 43.02 42.08 1jri s PHE 36 CO 0.03 0.16 -0.19 0.50 0.70 0.00 0.00 175.22 176.41 1jri s ARG 37 N -1.40 1.78 0.00 0.44 3.52 -0.04 -0.35 118.95 122.90 1jri s ARG 37 Ca 0.11 -0.69 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 1jri s ARG 37 Cb -0.10 -1.62 0.00 0.00 -1.56 0.00 0.00 34.95 31.67 1jri s ARG 37 CO 0.03 0.35 0.00 0.41 -0.81 0.00 0.00 175.30 175.28 1jri n GLY 38 N 2.84 0.04 3.67 8.12 0.00 -1.06 -1.06 105.19 117.74 1jri n GLY 38 Ca -0.16 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.00 5.00 0.09 1.61 1.01 -0.00 -1.56 120.40 124.54 1jri s VAL 39 Ca 0.00 1.28 -0.31 0.00 0.00 0.00 0.00 61.98 62.96 1jri s VAL 39 Cb 0.00 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 1jri s VAL 39 CO 0.00 0.10 1.47 -0.22 0.00 0.00 0.00 175.10 176.46 1jri s LEU 40 N 1.88 4.36 0.00 3.92 2.96 -1.00 -0.50 118.68 130.30 1jri s LEU 40 Ca 0.31 2.36 0.00 0.00 -0.22 0.00 0.00 54.13 56.58 1jri s LEU 40 Cb -0.16 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1jri s LEU 40 CO 0.11 -0.74 0.00 0.29 -1.32 0.00 0.00 176.35 174.69 1jri n LYS 41 N 4.60 0.57 -3.62 1.98 4.76 -0.44 -0.55 118.16 125.46 1jri n LYS 41 Ca 0.13 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.52 1jri n LYS 41 Cb 0.42 -0.98 -0.05 0.00 -1.84 0.00 0.00 35.03 32.58 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 -2.01 -0.17 0.20 4.39 0.15 -1.24 -4.92 113.70 110.10 1jri s SER 42 Ca 0.00 0.20 -0.19 0.00 0.70 0.00 0.00 55.95 56.66 1jri s SER 42 Cb 0.00 0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.50 1jri s SER 42 CO 0.00 -0.15 0.56 0.72 1.20 0.00 0.00 173.24 175.57 1jri s PHE 43 N -0.95 -0.20 0.42 3.44 -0.71 -1.26 -1.17 117.98 117.55 1jri s PHE 43 Ca 0.05 -0.14 0.04 0.00 -1.04 0.00 0.00 56.93 55.84 1jri s PHE 43 Cb -0.01 0.46 -0.01 0.00 -1.21 0.00 0.00 43.02 42.25 1jri s PHE 43 CO -0.05 -0.95 0.14 -0.40 -1.34 0.00 0.00 175.22 172.62 1jri n ASP 44 N -0.36 1.34 0.18 1.98 3.85 -0.90 -4.97 116.55 117.66 1jri n ASP 44 Ca -0.10 -3.21 0.19 0.00 -0.71 0.00 0.00 54.79 50.95 1jri n ASP 44 Cb 0.62 1.02 0.80 0.00 -1.35 0.00 0.00 41.12 42.21 1jri n ASP 44 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 1jri h LEU 45 N 0.00 0.00 -0.66 -2.12 3.38 -2.01 0.44 115.31 114.34 1jri h LEU 45 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1jri h LEU 45 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1jri h LEU 45 CO 0.52 0.00 -0.18 1.41 0.09 0.00 0.00 178.44 180.28 1jri n HIS 46 N -3.57 0.00 -1.16 1.13 8.25 -1.26 -4.91 115.22 113.70 1jri n HIS 46 Ca 0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.44 1jri n HIS 46 Cb 0.47 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.37 -0.41 -2.22 -0.41 2.81 0.15 -4.20 117.12 112.48 1jri n MET 47 Ca 0.14 0.67 -0.41 0.00 -1.81 0.00 0.00 57.70 56.29 1jri n MET 47 Cb 0.35 -4.39 -0.03 0.00 -0.71 0.00 0.00 33.22 28.44 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 -2.89 6.91 0.16 7.83 0.02 -1.26 -3.42 114.94 122.30 1jri s ASN 48 Ca 0.00 2.47 -0.04 0.00 -1.02 0.00 0.00 52.86 54.28 1jri s ASN 48 Cb 0.00 -2.63 -0.03 0.00 0.02 0.00 0.00 41.25 38.62 1jri s ASN 48 CO 0.00 -0.47 0.15 -1.48 0.02 0.00 0.00 177.10 175.32 1jri s LEU 49 N -0.86 1.38 -0.06 0.60 0.05 0.66 -2.12 118.68 118.33 1jri s LEU 49 Ca 0.52 -1.13 0.05 0.00 0.05 0.00 0.00 54.13 53.62 1jri s LEU 49 Cb -0.37 0.62 -0.00 0.00 -2.05 0.00 0.00 46.19 44.39 1jri s LEU 49 CO 0.43 -0.81 -0.22 -0.69 -0.55 0.00 0.00 176.35 174.51 1jri s VAL 50 N -4.04 1.82 -0.00 1.48 1.01 -0.32 0.17 120.40 120.51 1jri s VAL 50 Ca 0.25 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.39 1jri s VAL 50 Cb 0.06 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1jri s VAL 50 CO 0.03 0.51 -0.26 -0.76 0.00 0.00 0.00 175.10 174.62 1jri s LEU 51 N 0.06 2.08 0.08 3.92 1.43 -0.01 -1.32 118.68 124.92 1jri s LEU 51 Ca -0.08 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.56 1jri s LEU 51 Cb -0.14 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1jri s LEU 51 CO 0.04 0.30 0.02 0.20 0.23 0.00 0.00 176.35 177.14 1jri s ASN 52 N -0.79 5.14 -1.46 2.29 0.01 0.35 -0.80 114.94 119.69 1jri s ASN 52 Ca 0.10 -0.13 -0.12 0.00 -0.71 0.00 0.00 52.86 52.01 1jri s ASN 52 Cb -0.10 -1.27 0.05 0.00 0.41 0.00 0.00 41.25 40.34 1jri s ASN 52 CO -0.00 0.18 1.08 0.47 -1.51 0.00 0.00 177.10 177.33 1jri n ASP 53 N 0.62 -5.58 -4.79 -1.22 8.00 -1.05 -0.82 116.55 111.71 1jri n ASP 53 Ca -0.11 -0.67 -0.36 0.00 0.71 0.00 0.00 54.79 54.37 1jri n ASP 53 Cb 0.52 -4.42 -0.04 0.00 -0.02 0.00 0.00 41.12 37.16 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 -3.31 3.04 -0.12 2.24 0.00 0.50 -4.52 121.76 119.58 1jri s ALA 54 Ca 0.63 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 53.12 1jri s ALA 54 Cb -0.30 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.61 1jri s ALA 54 CO 0.78 -0.17 0.33 -1.83 0.00 0.00 0.00 175.76 174.87 1jri s GLU 55 N -2.72 0.37 -0.08 0.00 -1.05 -0.22 0.26 118.70 115.25 1jri s GLU 55 Ca 0.60 0.48 -0.19 0.00 -0.15 0.00 0.00 54.97 55.71 1jri s GLU 55 Cb -0.19 0.15 -0.04 0.00 -0.44 0.00 0.00 34.13 33.60 1jri s GLU 55 CO 0.24 -0.06 0.53 -2.00 0.95 0.00 0.00 175.26 174.92 1jri s GLU 56 N 0.34 4.32 0.20 -4.83 2.12 0.20 -0.87 118.70 120.19 1jri s GLU 56 Ca -0.01 0.57 0.05 0.00 0.36 0.00 0.00 54.97 55.93 1jri s GLU 56 Cb -0.03 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.92 1jri s GLU 56 CO -0.01 0.22 0.25 -0.51 -0.54 0.00 0.00 175.26 174.67 1jri s LEU 57 N 0.38 4.08 -0.29 2.70 1.43 0.20 0.15 118.68 127.34 1jri s LEU 57 Ca 0.29 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1jri s LEU 57 Cb -0.16 -2.64 0.17 0.00 0.03 0.00 0.00 46.19 43.59 1jri s LEU 57 CO 0.13 -0.00 0.47 -0.70 0.23 0.00 0.00 176.35 176.48 1jri s GLU 58 N -3.56 0.46 -1.04 1.70 2.12 -0.65 -3.67 118.70 114.05 1jri s GLU 58 Ca 0.33 0.33 -0.04 0.00 0.36 0.00 0.00 54.97 55.95 1jri s GLU 58 Cb -0.09 -0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.15 1jri s GLU 58 CO 0.27 -1.00 0.90 -0.25 -0.54 0.00 0.00 175.26 174.64 1jri n ASP 59 N 5.38 -5.32 0.00 -1.70 9.92 -1.26 -2.53 116.55 121.04 1jri n ASP 59 Ca 0.02 -0.66 0.00 0.00 -0.53 0.00 0.00 54.79 53.62 1jri n ASP 59 Cb 0.51 -5.00 0.00 0.00 -0.64 0.00 0.00 41.12 35.98 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 -1.21 0.43 3.24 0.44 0.00 -1.26 -4.96 105.19 101.87 1jri n GLY 60 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.53 2.92 -0.32 1.61 2.02 -1.05 -5.06 118.70 118.29 1jri s GLU 61 Ca 0.00 -0.88 -0.35 0.00 0.02 0.00 0.00 54.97 53.76 1jri s GLU 61 Cb 0.00 -2.28 -0.11 0.00 0.10 0.00 0.00 34.13 31.84 1jri s GLU 61 CO 0.00 0.24 2.16 0.28 0.02 0.00 0.00 175.26 177.96 1jri n VAL 62 N 3.35 0.22 0.06 2.63 0.31 -1.26 -1.64 118.33 122.00 1jri n VAL 62 Ca -0.19 -0.26 -0.12 0.00 -0.01 0.00 0.00 64.34 63.76 1jri n VAL 62 Cb 0.53 -1.70 -0.13 0.00 -0.91 0.00 0.00 33.84 31.62 1jri n VAL 62 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1jri h THR 63 N 6.95 1.33 -1.94 2.52 2.02 0.11 -3.48 112.91 120.42 1jri h THR 63 Ca -0.30 -3.02 0.04 0.00 0.77 0.00 0.00 66.41 63.91 1jri h THR 63 Cb 1.31 2.77 -0.19 0.00 -1.74 0.00 0.00 68.15 70.29 1jri h THR 63 CO 1.01 0.83 0.41 0.00 0.37 0.00 0.00 175.52 178.14 1jri s ARG 64 N -2.65 0.82 -0.20 6.66 3.03 -1.20 -4.97 118.95 120.45 1jri s ARG 64 Ca -0.05 0.04 -0.05 0.00 2.03 0.00 0.00 55.73 57.70 1jri s ARG 64 Cb 0.08 0.39 -0.03 0.00 -1.03 0.00 0.00 34.95 34.36 1jri s ARG 64 CO 0.84 -0.29 0.01 1.03 -1.13 0.00 0.00 175.30 175.77 1jri s ARG 65 N -1.74 3.66 0.00 3.89 0.52 -1.26 -0.62 118.95 123.40 1jri s ARG 65 Ca -0.03 -0.50 0.04 0.00 -0.52 0.00 0.00 55.73 54.73 1jri s ARG 65 Cb -0.00 -3.11 0.01 0.00 0.52 0.00 0.00 34.95 32.37 1jri s ARG 65 CO 0.01 0.03 0.49 1.28 0.02 0.00 0.00 175.30 177.13 1jri n LEU 66 N 4.20 0.98 0.00 2.53 4.77 0.14 -4.98 117.00 124.64 1jri n LEU 66 Ca -0.17 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 1jri n LEU 66 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1jri n LEU 66 CO 0.32 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1jri n GLY 67 N 0.51 1.68 3.69 -0.72 0.00 -1.16 -4.65 105.19 104.55 1jri n GLY 67 Ca 0.02 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 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 4.96 0.01 2.61 2.01 -1.26 -0.37 115.64 123.59 1jri s THR 68 Ca 0.00 1.58 0.04 0.00 0.31 0.00 0.00 61.69 63.61 1jri s THR 68 Cb 0.00 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 1jri s THR 68 CO 0.00 0.14 -0.12 0.54 -0.69 0.00 0.00 174.62 174.49 1jri s VAL 69 N 1.43 0.93 -0.24 3.82 0.11 0.02 -4.97 120.40 121.50 1jri s VAL 69 Ca 0.39 -0.65 -0.07 0.00 -2.93 0.00 0.00 61.98 58.73 1jri s VAL 69 Cb -0.18 -0.80 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 1jri s VAL 69 CO 0.17 0.15 0.04 -0.22 -3.33 0.00 0.00 175.10 171.91 1jri s LEU 70 N -0.56 3.33 -0.15 2.54 2.96 -1.26 -0.83 118.68 124.70 1jri s LEU 70 Ca 0.03 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 1jri s LEU 70 Cb -0.06 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 1jri s LEU 70 CO 0.00 -0.02 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.36 1jri s ILE 71 N 1.53 4.04 -0.08 6.68 1.01 0.13 -4.97 121.20 129.54 1jri s ILE 71 Ca 0.06 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 1jri s ILE 71 Cb -0.15 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 1jri s ILE 71 CO 0.02 0.50 1.00 -0.13 0.00 0.00 0.00 174.94 176.33 1jri s ARG 72 N 0.25 4.46 0.61 2.79 0.52 -1.26 -0.24 118.95 126.07 1jri s ARG 72 Ca -0.02 1.39 0.30 0.00 -0.52 0.00 0.00 55.73 56.89 1jri s ARG 72 Cb -0.14 -3.52 1.66 0.00 0.52 0.00 0.00 34.95 33.47 1jri s ARG 72 CO 0.02 -0.25 2.03 0.78 0.02 0.00 0.00 175.30 177.91 1jri h GLY 73 N 7.70 0.00 1.64 -3.53 0.00 -1.72 -2.59 103.07 104.57 1jri h GLY 73 Ca -0.34 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.03 1jri h GLY 73 CO 0.83 0.00 0.14 -1.80 0.00 0.00 0.00 176.54 175.71 1jri h ASP 74 N 0.00 0.00 0.06 0.19 -0.00 -1.88 -1.53 116.42 113.25 1jri h ASP 74 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.12 1jri h ASP 74 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.00 1jri h ASP 74 CO -0.00 0.00 -0.64 0.59 -0.00 0.00 0.00 179.24 179.19 1jri n ASN 75 N -3.94 1.42 -4.73 2.28 3.02 -0.97 -4.95 115.26 107.39 1jri n ASN 75 Ca 0.00 -1.16 -0.41 0.00 -0.03 0.00 0.00 54.58 52.98 1jri n ASN 75 Cb 0.26 0.61 -0.04 0.00 -0.61 0.00 0.00 39.78 40.00 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 -2.71 4.06 -0.21 2.41 1.01 -0.58 -0.79 121.20 124.39 1jri s ILE 76 Ca 0.15 1.65 -0.16 0.00 0.00 0.00 0.00 60.65 62.29 1jri s ILE 76 Cb 0.17 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.49 1jri s ILE 76 CO 0.68 0.22 -0.19 0.52 0.00 0.00 0.00 174.94 176.18 1jri n VAL 77 N 2.98 1.50 -3.75 2.92 0.31 0.48 -4.88 118.33 117.90 1jri n VAL 77 Ca 0.05 -0.05 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 1jri n VAL 77 Cb 0.47 -2.14 -0.04 0.00 -0.91 0.00 0.00 33.84 31.22 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 -2.53 -0.07 -0.04 3.52 -0.85 -1.17 -5.03 117.35 111.19 1jri s TYR 78 Ca -0.29 -0.27 0.01 0.00 -0.52 0.00 0.00 57.07 56.00 1jri s TYR 78 Cb 0.08 0.32 0.02 0.00 0.38 0.00 0.00 41.96 42.75 1jri s TYR 78 CO 0.45 -0.86 -0.05 0.42 -1.52 0.00 0.00 175.55 173.99 1jri s ILE 79 N -3.87 0.56 0.09 -3.49 1.01 -1.26 -1.76 121.20 112.48 1jri s ILE 79 Ca 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 1jri s ILE 79 Cb -0.00 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 1jri s ILE 79 CO -0.04 0.22 0.00 -0.94 0.00 0.00 0.00 174.94 174.18 1jri s SER 80 N 0.68 0.47 0.04 3.58 1.04 -0.71 -4.95 113.70 113.86 1jri s SER 80 Ca -0.09 -1.09 -0.28 0.00 0.48 0.00 0.00 55.95 54.96 1jri s SER 80 Cb -0.12 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.18 1jri s SER 80 CO 0.00 -0.65 0.91 -0.13 0.98 0.00 0.00 173.24 174.36 1jri s ARG 81 N -3.97 4.59 -0.50 4.02 3.00 -1.26 0.37 118.95 125.20 1jri s ARG 81 Ca 0.15 1.32 0.06 0.00 0.00 0.00 0.00 55.73 57.25 1jri s ARG 81 Cb 0.08 -3.41 0.38 0.00 0.00 0.00 0.00 34.95 32.00 1jri s ARG 81 CO -0.04 0.12 1.02 0.41 0.00 0.00 0.00 175.30 176.80 1jri n GLY 82 N 2.59 5.64 0.00 -3.53 0.00 -1.21 -4.86 105.19 103.82 1jri n GLY 82 Ca 0.02 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.34 1jri n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jri n LYS 83 N -0.34 0.00 0.00 1.61 4.76 -1.26 -4.77 118.16 118.15 1jri n LYS 83 Ca 0.34 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 1jri n LYS 83 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 1jri n LYS 83 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1jri n LEU 84 N 0.00 0.00 0.00 -0.35 4.77 -1.26 -4.91 117.00 115.25 1jri n LEU 84 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1jri n LEU 84 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jri n LEU 84 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06