#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1weo s SER 2 N 0.00 4.43 0.01 1.61 0.15 -1.26 -5.15 113.70 113.49 1weo s SER 2 Ca 0.00 -1.10 -0.28 0.00 0.70 0.00 0.00 55.95 55.27 1weo s SER 2 Cb 0.00 -0.42 0.09 0.00 -1.71 0.00 0.00 66.02 63.98 1weo s SER 2 CO 0.00 -0.58 0.78 -0.55 1.20 0.00 0.00 173.24 174.09 1weo s SER 3 N -3.92 -0.48 0.00 5.45 0.15 -1.26 -5.16 113.70 108.48 1weo s SER 3 Ca 0.40 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1weo s SER 3 Cb 0.04 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1weo s SER 3 CO 0.22 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1weo n GLY 4 N 0.10 3.79 3.58 9.45 0.00 -1.26 -5.16 105.19 115.69 1weo n GLY 4 Ca -0.13 -1.18 -0.01 0.00 0.00 0.00 0.00 46.02 44.69 1weo n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1weo s SER 5 N 0.00 -0.88 0.06 1.61 0.15 -1.26 -5.17 113.70 108.21 1weo s SER 5 Ca 0.00 1.26 0.05 0.00 0.70 0.00 0.00 55.95 57.96 1weo s SER 5 Cb 0.00 1.85 -0.04 0.00 -1.71 0.00 0.00 66.02 66.12 1weo s SER 5 CO 0.00 -0.18 -0.07 -0.44 1.20 0.00 0.00 173.24 173.75 1weo s SER 6 N 2.39 4.60 0.00 5.45 0.01 -1.26 -4.86 113.70 120.03 1weo s SER 6 Ca -0.06 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1weo s SER 6 Cb -0.08 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.15 1weo s SER 6 CO -0.18 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.30 1weo n GLY 7 N 1.04 0.72 3.60 3.44 0.00 -1.26 -5.10 105.19 107.63 1weo n GLY 7 Ca -0.14 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1weo n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1weo s PRO 8 N 0.00 3.42 0.31 1.61 0.04 -1.26 -4.98 135.00 134.14 1weo s PRO 8 Ca 0.00 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.07 1weo s PRO 8 Cb 0.00 -4.15 -0.10 0.00 0.04 0.00 0.00 34.50 30.29 1weo s PRO 8 CO 0.00 -1.76 1.26 0.15 0.04 0.00 0.00 177.00 176.70 1weo s LYS 9 N 5.43 4.42 0.04 4.56 3.01 -1.26 -4.97 119.74 130.98 1weo s LYS 9 Ca 0.75 2.12 -0.31 0.00 -1.01 0.00 0.00 55.97 57.52 1weo s LYS 9 Cb -0.20 -3.10 -0.07 0.00 -1.01 0.00 0.00 37.83 33.45 1weo s LYS 9 CO 0.33 -0.10 1.41 -1.25 0.51 0.00 0.00 175.35 176.25 1weo s PRO 10 N -1.60 4.29 0.72 -1.68 0.04 -1.26 -5.00 135.00 130.50 1weo s PRO 10 Ca 0.48 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.41 1weo s PRO 10 Cb -0.38 -3.47 0.03 0.00 0.04 0.00 0.00 34.50 30.73 1weo s PRO 10 CO 0.49 -0.53 1.15 -1.17 0.04 0.00 0.00 177.00 176.98 1weo s LEU 11 N 1.97 3.29 0.10 -3.56 2.96 -1.26 -4.97 118.68 117.20 1weo s LEU 11 Ca 0.65 2.14 -0.30 0.00 -0.22 0.00 0.00 54.13 56.40 1weo s LEU 11 Cb -0.34 -4.57 -0.06 0.00 0.50 0.00 0.00 46.19 41.73 1weo s LEU 11 CO 0.28 -2.03 1.08 -0.54 -1.32 0.00 0.00 176.35 173.82 1weo s LYS 12 N -4.12 4.56 -1.25 1.98 3.01 -1.26 -3.53 119.74 119.13 1weo s LYS 12 Ca 0.69 1.62 -0.05 0.00 -1.01 0.00 0.00 55.97 57.23 1weo s LYS 12 Cb -0.24 -3.35 0.01 0.00 -1.01 0.00 0.00 37.83 33.23 1weo s LYS 12 CO 0.45 -0.02 1.07 0.09 0.51 0.00 0.00 175.35 177.45 1weo n ASN 13 N 3.19 -4.36 -0.07 2.83 3.02 -1.26 -4.92 115.26 113.69 1weo n ASN 13 Ca 0.05 -0.56 -0.09 0.00 -0.03 0.00 0.00 54.58 53.95 1weo n ASN 13 Cb 0.48 -4.93 -0.07 0.00 -0.61 0.00 0.00 39.78 34.65 1weo n ASN 13 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1weo n LEU 14 N -4.49 2.85 -0.07 3.41 -0.00 -1.23 -4.66 117.00 112.82 1weo n LEU 14 Ca -0.12 -0.07 -0.07 0.00 -0.00 0.00 0.00 56.01 55.75 1weo n LEU 14 Cb 0.61 -0.45 -0.01 0.00 -0.00 0.00 0.00 43.42 43.57 1weo n LEU 14 CO 0.61 0.71 0.76 0.44 -0.00 0.00 0.00 177.39 179.92 1weo h ASP 15 N 0.00 -0.48 0.00 1.96 5.19 -1.91 -3.47 116.42 117.71 1weo h ASP 15 Ca -0.31 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 1weo h ASP 15 Cb 1.49 0.26 0.00 0.00 0.18 0.00 0.00 39.33 41.26 1weo h ASP 15 CO -0.05 -0.18 0.00 0.61 -3.12 0.00 0.00 179.24 176.51 1weo n GLY 16 N -1.31 3.09 0.56 2.75 0.00 -1.26 -4.91 105.19 104.11 1weo n GLY 16 Ca -0.00 -1.01 0.42 0.00 0.00 0.00 0.00 46.02 45.43 1weo n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1weo n GLN 17 N 0.00 -0.00 -1.69 1.61 6.02 -1.26 -4.33 117.38 117.73 1weo n GLN 17 Ca 0.00 0.89 -0.42 0.00 -0.01 0.00 0.00 57.00 57.46 1weo n GLN 17 Cb 0.00 -2.03 -0.03 0.00 1.02 0.00 0.00 30.24 29.20 1weo n GLN 17 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1weo n PHE 18 N -3.64 2.63 -1.62 1.08 3.01 -1.26 -3.39 117.46 114.27 1weo n PHE 18 Ca 0.36 -0.14 -0.39 0.00 1.01 0.00 0.00 57.45 58.28 1weo n PHE 18 Cb 1.61 -2.73 0.03 0.00 -0.01 0.00 0.00 39.48 38.38 1weo n PHE 18 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1weo n GLU 20 N -0.41 0.64 -0.19 0.00 -0.58 -1.09 -2.75 120.64 116.26 1weo n GLU 20 Ca 0.11 0.20 -0.09 0.00 -0.42 0.00 0.00 57.16 56.96 1weo n GLU 20 Cb 0.43 -1.54 -0.07 0.00 -0.57 0.00 0.00 31.44 29.69 1weo n GLU 20 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1weo h ILE 21 N -0.28 0.00 0.00 -3.67 2.04 -1.93 -3.29 117.51 110.37 1weo h ILE 21 Ca -0.59 0.00 -0.40 0.00 1.00 0.00 0.00 64.86 64.87 1weo h ILE 21 Cb 1.82 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.83 1weo h ILE 21 CO -0.17 0.00 -2.46 0.00 0.00 0.00 0.00 178.15 175.53 1weo n GLY 23 N 2.09 3.50 2.80 0.00 0.00 -1.11 -5.08 105.19 107.39 1weo n GLY 23 Ca -0.47 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 1weo n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1weo n ASP 24 N 0.00 -2.08 -4.66 1.61 9.92 -1.26 -3.56 116.55 116.52 1weo n ASP 24 Ca 0.00 0.75 -0.43 0.00 -0.53 0.00 0.00 54.79 54.59 1weo n ASP 24 Cb 0.00 -0.76 -0.02 0.00 -0.64 0.00 0.00 41.12 39.70 1weo n ASP 24 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1weo s GLN 25 N -0.84 4.20 -0.15 -1.24 0.74 -1.26 -1.30 119.66 119.81 1weo s GLN 25 Ca 0.51 1.97 -0.29 0.00 0.05 0.00 0.00 55.36 57.61 1weo s GLN 25 Cb -0.60 -3.89 -0.06 0.00 1.10 0.00 0.00 33.01 29.56 1weo s GLN 25 CO 0.51 -0.79 2.13 0.42 -0.55 0.00 0.00 175.29 177.02 1weo s ILE 26 N 3.81 3.03 0.00 -2.34 1.01 -1.22 -4.82 121.20 120.67 1weo s ILE 26 Ca 0.66 0.04 0.00 0.00 0.00 0.00 0.00 60.65 61.34 1weo s ILE 26 Cb -0.29 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1weo s ILE 26 CO 0.23 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.76 1weo n GLY 27 N 5.41 -2.19 3.69 6.18 0.00 -1.26 -4.86 105.19 112.15 1weo n GLY 27 Ca 0.27 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 1weo n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1weo s LEU 28 N 0.00 2.64 0.86 0.99 1.43 -1.26 -4.02 118.68 119.32 1weo s LEU 28 Ca 0.00 -1.48 -0.09 0.00 -1.03 0.00 0.00 54.13 51.53 1weo s LEU 28 Cb 0.00 -0.85 0.17 0.00 0.03 0.00 0.00 46.19 45.54 1weo s LEU 28 CO 0.00 -0.63 1.18 0.42 0.23 0.00 0.00 176.35 177.56 1weo s THR 29 N -2.78 2.05 0.38 5.49 -4.23 0.58 -4.73 115.64 112.40 1weo s THR 29 Ca 0.23 -0.27 0.12 0.00 -1.18 0.00 0.00 61.69 60.59 1weo s THR 29 Cb 0.06 -2.78 0.34 0.00 1.34 0.00 0.00 72.50 71.46 1weo s THR 29 CO 0.12 0.00 1.87 0.58 -0.54 0.00 0.00 174.62 176.65 1weo h VAL 30 N -1.16 0.78 0.04 2.29 2.07 -1.98 -2.55 116.25 115.73 1weo h VAL 30 Ca -0.41 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1weo h VAL 30 Cb 1.25 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1weo h VAL 30 CO 0.38 0.10 -0.02 -0.33 0.02 0.00 0.00 177.57 177.73 1weo h GLU 31 N 0.57 -0.05 0.00 1.57 5.08 -2.04 -3.48 114.58 116.23 1weo h GLU 31 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1weo h GLU 31 Cb 0.87 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1weo h GLU 31 CO -0.19 0.58 0.00 0.41 -1.00 0.00 0.00 179.01 178.81 1weo n GLY 32 N 1.28 0.27 3.54 -3.84 0.00 -0.96 -5.15 105.19 100.32 1weo n GLY 32 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1weo n GLY 32 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1weo n ASP 33 N 0.00 -1.23 -4.71 1.61 5.75 -1.26 -4.51 116.55 112.21 1weo n ASP 33 Ca 0.00 -1.27 -0.42 0.00 -0.01 0.00 0.00 54.79 53.09 1weo n ASP 33 Cb 0.00 -0.98 -0.03 0.00 -1.03 0.00 0.00 41.12 39.08 1weo n ASP 33 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1weo s LEU 34 N 0.00 4.33 -0.79 -2.12 1.98 -1.26 -0.31 118.68 120.51 1weo s LEU 34 Ca 0.71 1.53 -0.25 0.00 -2.89 0.00 0.00 54.13 53.22 1weo s LEU 34 Cb -0.05 -3.46 -0.03 0.00 0.66 0.00 0.00 46.19 43.31 1weo s LEU 34 CO 0.52 -0.27 1.88 0.12 -1.89 0.00 0.00 176.35 176.72 1weo s PHE 35 N 1.18 1.79 -0.87 5.38 5.36 -1.26 -4.78 117.98 124.78 1weo s PHE 35 Ca 0.48 0.62 -0.20 0.00 -0.96 0.00 0.00 56.93 56.87 1weo s PHE 35 Cb -0.20 -4.10 0.10 0.00 -0.34 0.00 0.00 43.02 38.49 1weo s PHE 35 CO 0.24 -1.97 1.14 0.08 -1.46 0.00 0.00 175.22 173.25 1weo s VAL 36 N 9.44 4.48 0.18 3.12 1.01 -1.26 -4.80 120.40 132.57 1weo s VAL 36 Ca 0.67 -1.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 1weo s VAL 36 Cb -0.09 -4.80 0.08 0.00 0.00 0.00 0.00 36.38 31.57 1weo s VAL 36 CO 0.07 -1.57 1.79 0.00 0.00 0.00 0.00 175.10 175.40 1weo h ALA 37 N 9.19 0.75 -3.71 5.51 0.00 -1.81 -3.43 119.26 125.76 1weo h ALA 37 Ca 0.04 -0.10 -0.46 0.00 0.00 0.00 0.00 54.91 54.40 1weo h ALA 37 Cb 1.03 -0.24 -0.24 0.00 0.00 0.00 0.00 17.79 18.35 1weo h ALA 37 CO 1.18 0.27 -0.80 0.00 0.00 0.00 0.00 179.25 179.90 1weo n ASN 39 N 1.74 3.80 -0.08 0.00 5.15 -1.26 -4.07 115.26 120.53 1weo n ASN 39 Ca -0.19 -0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.71 1weo n ASN 39 Cb 0.54 -0.01 -0.06 0.00 -0.53 0.00 0.00 39.78 39.73 1weo n ASN 39 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1weo h GLU 40 N -0.00 -0.25 0.04 1.20 4.57 -1.98 -3.28 114.58 114.88 1weo h GLU 40 Ca -0.01 0.02 -0.38 0.00 -1.18 0.00 0.00 59.36 57.81 1weo h GLU 40 Cb 1.01 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.61 1weo h GLU 40 CO -0.00 -0.17 -2.28 0.00 -1.18 0.00 0.00 179.01 175.38 1weo n GLY 42 N 2.10 1.15 3.66 0.00 0.00 -1.24 -5.06 105.19 105.80 1weo n GLY 42 Ca -0.39 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1weo n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1weo s PHE 43 N -2.00 2.83 -0.02 1.61 5.36 -1.26 -4.95 117.98 119.55 1weo s PHE 43 Ca 0.00 0.99 -0.30 0.00 -0.96 0.00 0.00 56.93 56.66 1weo s PHE 43 Cb 0.00 -3.51 -0.05 0.00 -0.34 0.00 0.00 43.02 39.12 1weo s PHE 43 CO 0.00 -1.74 1.47 -1.25 -1.46 0.00 0.00 175.22 172.24 1weo s PRO 44 N 3.49 4.25 -0.23 10.12 0.04 -1.26 -3.81 135.00 147.60 1weo s PRO 44 Ca 0.55 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.56 1weo s PRO 44 Cb -0.22 -3.68 0.12 0.00 0.04 0.00 0.00 34.50 30.76 1weo s PRO 44 CO 0.15 -0.66 0.42 0.00 0.04 0.00 0.00 177.00 176.95 1weo s ALA 45 N 2.89 -1.24 1.10 8.56 0.00 -1.26 -2.66 121.76 129.15 1weo s ALA 45 Ca 0.66 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.79 1weo s ALA 45 Cb -0.32 -1.57 0.17 0.00 0.00 0.00 0.00 23.12 21.41 1weo s ALA 45 CO 0.26 -1.04 0.39 0.00 0.00 0.00 0.00 175.76 175.37 1weo h ARG 47 N 0.00 -0.24 -0.20 0.00 2.43 -1.96 -2.29 114.38 112.12 1weo h ARG 47 Ca -0.18 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1weo h ARG 47 Cb 0.60 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1weo h ARG 47 CO 0.11 0.13 0.00 -0.35 -1.51 0.00 0.00 179.97 178.35 1weo n PRO 48 N -5.02 0.49 0.00 0.20 -0.04 -1.26 -2.14 135.00 127.23 1weo n PRO 48 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1weo n PRO 48 Cb 0.25 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1weo n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1weo h TYR 50 N 0.00 0.00 -0.88 0.00 5.03 -1.12 -2.83 116.97 117.17 1weo h TYR 50 Ca 0.00 0.00 0.19 0.00 2.58 0.00 0.00 58.73 61.50 1weo h TYR 50 Cb 0.97 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 39.19 1weo h TYR 50 CO 0.00 1.05 0.58 0.93 -1.32 0.00 0.00 178.16 179.40 1weo h GLU 51 N -1.00 0.43 -0.01 1.82 5.08 -1.69 -1.18 114.58 118.02 1weo h GLU 51 Ca -0.06 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 1weo h GLU 51 Cb 1.02 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.19 1weo h GLU 51 CO -0.04 0.28 -0.48 -0.92 -1.00 0.00 0.00 179.01 176.86 1weo h TYR 52 N 0.44 0.51 -0.50 4.33 3.20 -1.78 -1.25 116.97 121.92 1weo h TYR 52 Ca 0.45 -0.27 0.14 0.00 3.14 0.00 0.00 58.73 62.20 1weo h TYR 52 Cb 1.07 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 1weo h TYR 52 CO -0.00 1.07 0.44 1.49 -1.64 0.00 0.00 178.16 179.52 1weo h GLU 53 N -0.20 0.00 0.00 1.82 4.57 -0.97 0.25 114.58 120.05 1weo h GLU 53 Ca -0.06 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.95 1weo h GLU 53 Cb 1.19 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 1weo h GLU 53 CO 0.09 0.00 -1.88 0.54 -1.18 0.00 0.00 179.01 176.58 1weo n ARG 54 N -3.96 0.65 0.00 1.92 1.74 -0.88 0.57 116.66 116.71 1weo n ARG 54 Ca 0.09 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1weo n ARG 54 Cb 0.65 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1weo n ARG 54 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1weo n ARG 55 N -2.65 0.00 0.02 5.56 0.00 0.38 -4.59 116.66 115.38 1weo n ARG 55 Ca -0.15 0.43 0.11 0.00 -0.00 0.00 0.00 57.85 58.24 1weo n ARG 55 Cb 0.85 -0.92 -0.07 0.00 0.00 0.00 0.00 32.46 32.31 1weo n ARG 55 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1weo n GLU 56 N -1.91 0.39 0.00 -0.14 4.71 0.54 -4.93 120.64 119.29 1weo n GLU 56 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 1weo n GLU 56 Cb 0.00 -1.57 0.00 0.00 -1.01 0.00 0.00 31.44 28.86 1weo n GLU 56 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1weo n GLY 57 N 1.34 -0.39 0.06 0.62 0.00 0.56 -4.99 105.19 102.39 1weo n GLY 57 Ca 0.00 -1.28 0.04 0.00 0.00 0.00 0.00 46.02 44.78 1weo n GLY 57 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1weo n THR 58 N 0.00 0.00 -1.82 2.61 -2.24 -0.08 -4.82 114.28 107.93 1weo n THR 58 Ca 0.00 -0.34 -0.06 0.00 -2.27 0.00 0.00 64.05 61.38 1weo n THR 58 Cb 0.00 1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 69.25 1weo n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1weo n GLN 59 N -0.91 -0.48 -3.93 -0.78 6.02 0.19 -4.97 117.38 112.53 1weo n GLN 59 Ca 0.02 0.44 -0.16 0.00 -0.01 0.00 0.00 57.00 57.28 1weo n GLN 59 Cb 0.15 -4.25 -0.16 0.00 1.02 0.00 0.00 30.24 26.99 1weo n GLN 59 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1weo s ASN 60 N -2.79 0.36 -0.12 1.08 0.01 -1.26 -3.74 114.94 108.49 1weo s ASN 60 Ca 0.00 -0.02 -0.36 0.00 -0.71 0.00 0.00 52.86 51.77 1weo s ASN 60 Cb 0.00 -0.18 -0.13 0.00 0.41 0.00 0.00 41.25 41.35 1weo s ASN 60 CO 0.00 -0.08 1.82 0.00 -1.51 0.00 0.00 177.10 177.32 1weo n PRO 62 N 6.02 0.49 -0.06 0.00 -0.04 -1.26 0.25 135.00 140.41 1weo n PRO 62 Ca 0.23 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.61 1weo n PRO 62 Cb 0.25 -1.32 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 1weo n PRO 62 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1weo n GLN 63 N -0.82 0.27 0.00 0.54 7.27 -1.26 -4.83 117.38 118.55 1weo n GLN 63 Ca 0.07 0.07 0.00 0.00 0.07 0.00 0.00 57.00 57.21 1weo n GLN 63 Cb 0.03 -1.20 0.00 0.00 2.41 0.00 0.00 30.24 31.48 1weo n GLN 63 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1weo n LYS 65 N -1.65 -4.74 -3.59 0.00 4.76 0.70 -4.93 118.16 108.71 1weo n LYS 65 Ca 0.00 0.54 -0.33 0.00 -2.87 0.00 0.00 58.31 55.65 1weo n LYS 65 Cb 0.26 -4.66 -0.05 0.00 -1.84 0.00 0.00 35.03 28.74 1weo n LYS 65 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1weo s THR 66 N -3.22 5.10 0.21 -0.18 2.01 -1.26 -4.69 115.64 113.62 1weo s THR 66 Ca 0.21 0.26 -0.31 0.00 0.31 0.00 0.00 61.69 62.16 1weo s THR 66 Cb -0.09 -3.63 -0.15 0.00 0.01 0.00 0.00 72.50 68.64 1weo s THR 66 CO 0.47 0.11 1.11 -2.11 -0.69 0.00 0.00 174.62 173.51 1weo n ARG 67 N 0.36 1.23 -4.16 4.92 1.85 -1.26 -3.77 116.66 115.83 1weo n ARG 67 Ca -0.04 0.44 -0.22 0.00 -1.00 0.00 0.00 57.85 57.02 1weo n ARG 67 Cb 0.52 -1.89 -0.05 0.00 -1.05 0.00 0.00 32.46 29.99 1weo n ARG 67 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1weo s TYR 68 N -0.47 2.92 0.19 2.89 1.51 -1.25 -4.98 117.35 118.16 1weo s TYR 68 Ca 0.68 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 56.58 1weo s TYR 68 Cb -0.80 -1.37 -0.01 0.00 -0.11 0.00 0.00 41.96 39.67 1weo s TYR 68 CO 0.54 0.52 0.07 0.36 -1.11 0.00 0.00 175.55 175.94 1weo n LYS 69 N -1.09 0.75 -3.14 -0.62 -0.00 -1.26 -5.09 118.16 107.70 1weo n LYS 69 Ca -0.07 -1.58 -0.39 0.00 -0.00 0.00 0.00 58.31 56.27 1weo n LYS 69 Cb 0.59 0.88 -0.06 0.00 -0.00 0.00 0.00 35.03 36.44 1weo n LYS 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1weo s ARG 70 N -2.71 4.36 0.54 -1.58 0.52 -1.26 -5.05 118.95 113.78 1weo s ARG 70 Ca 0.10 0.86 0.03 0.00 -0.52 0.00 0.00 55.73 56.20 1weo s ARG 70 Cb 0.00 -3.32 0.02 0.00 0.52 0.00 0.00 34.95 32.18 1weo s ARG 70 CO 0.07 0.42 0.25 -0.51 0.02 0.00 0.00 175.30 175.55 1weo s LEU 71 N -0.44 2.48 0.21 2.53 1.43 -1.20 -5.03 118.68 118.67 1weo s LEU 71 Ca 0.33 -1.44 -0.14 0.00 -1.03 0.00 0.00 54.13 51.85 1weo s LEU 71 Cb -0.20 -0.97 0.24 0.00 0.03 0.00 0.00 46.19 45.30 1weo s LEU 71 CO 0.20 -1.05 1.62 0.03 0.23 0.00 0.00 176.35 177.38 1weo h ARG 72 N 0.95 -0.01 0.00 1.70 3.08 -2.00 -3.31 114.38 114.79 1weo h ARG 72 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1weo h ARG 72 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1weo h ARG 72 CO 0.63 -0.01 -0.20 0.41 -1.07 0.00 0.00 179.97 179.74 1weo n GLY 73 N -1.45 -0.66 2.67 0.04 0.00 -1.26 -4.89 105.19 99.64 1weo n GLY 73 Ca 0.08 -0.07 -0.49 0.00 0.00 0.00 0.00 46.02 45.54 1weo n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1weo n SER 74 N -3.10 0.66 -2.86 1.61 3.41 -1.25 -4.89 113.62 107.20 1weo n SER 74 Ca -0.03 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1weo n SER 74 Cb 0.10 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 1weo n SER 74 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1weo n PRO 75 N 5.55 -0.31 -3.17 4.33 -0.04 -1.26 -3.24 135.00 136.86 1weo n PRO 75 Ca 0.41 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.52 1weo n PRO 75 Cb -0.03 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.37 1weo n PRO 75 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1weo s ARG 76 N -1.94 4.14 0.33 0.54 3.52 -1.26 -4.79 118.95 119.49 1weo s ARG 76 Ca 0.00 0.74 0.06 0.00 -0.13 0.00 0.00 55.73 56.40 1weo s ARG 76 Cb 0.00 -2.81 -0.03 0.00 -1.56 0.00 0.00 34.95 30.55 1weo s ARG 76 CO 0.00 0.37 0.25 0.14 -0.81 0.00 0.00 175.30 175.25 1weo s VAL 77 N -1.59 0.05 -1.31 7.11 -7.23 -1.26 -4.57 120.40 111.60 1weo s VAL 77 Ca 0.44 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.57 1weo s VAL 77 Cb -0.15 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.34 1weo s VAL 77 CO 0.20 0.00 0.10 -1.84 -0.31 0.00 0.00 175.10 173.25 1weo n GLU 78 N -0.62 -0.91 0.00 4.82 0.28 -1.26 -3.85 120.64 119.10 1weo n GLU 78 Ca 0.06 0.08 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 1weo n GLU 78 Cb 0.63 -3.09 0.00 0.00 1.43 0.00 0.00 31.44 30.41 1weo n GLU 78 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1weo n GLY 79 N -2.01 0.07 3.71 -1.84 0.00 -1.26 -5.13 105.19 98.73 1weo n GLY 79 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1weo n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1weo s ASP 80 N 0.00 6.65 0.09 1.61 2.15 -1.25 -5.06 116.67 120.86 1weo s ASP 80 Ca 0.00 0.78 -0.24 0.00 0.43 0.00 0.00 52.55 53.52 1weo s ASP 80 Cb 0.00 -2.29 -0.07 0.00 -0.30 0.00 0.00 42.92 40.27 1weo s ASP 80 CO 0.00 -0.04 0.73 -0.70 -0.17 0.00 0.00 175.17 174.99 1weo s GLU 81 N 0.85 4.47 0.89 4.34 2.12 -1.26 -4.90 118.70 125.21 1weo s GLU 81 Ca 0.25 1.03 -0.14 0.00 0.36 0.00 0.00 54.97 56.48 1weo s GLU 81 Cb -0.15 -3.30 0.15 0.00 0.26 0.00 0.00 34.13 31.09 1weo s GLU 81 CO 0.10 0.45 1.25 0.34 -0.54 0.00 0.00 175.26 176.86 1weo s ASP 82 N -0.64 3.70 -0.22 -1.70 2.15 -1.26 -5.10 116.67 113.61 1weo s ASP 82 Ca 0.35 0.41 -0.05 0.00 0.43 0.00 0.00 52.55 53.70 1weo s ASP 82 Cb -0.21 -0.64 0.11 0.00 -0.30 0.00 0.00 42.92 41.88 1weo s ASP 82 CO 0.23 -2.37 0.41 -1.61 -0.17 0.00 0.00 175.17 171.65 1weo s GLU 83 N -5.72 0.34 0.18 4.34 0.41 -1.26 -5.16 118.70 111.82 1weo s GLU 83 Ca 0.69 0.82 -0.00 0.00 -0.41 0.00 0.00 54.97 56.07 1weo s GLU 83 Cb -0.07 -0.00 -0.04 0.00 -1.78 0.00 0.00 34.13 32.24 1weo s GLU 83 CO 0.51 -0.43 0.07 -1.83 -0.49 0.00 0.00 175.26 173.09 1weo s GLU 84 N 2.59 1.12 -0.22 1.61 4.04 -1.26 -5.15 118.70 121.43 1weo s GLU 84 Ca 0.05 -1.57 -0.01 0.00 0.04 0.00 0.00 54.97 53.49 1weo s GLU 84 Cb -0.14 0.06 0.06 0.00 0.02 0.00 0.00 34.13 34.13 1weo s GLU 84 CO -0.14 -0.27 -0.01 0.34 -1.84 0.00 0.00 175.26 173.34 1weo s ASP 85 N -3.15 3.48 0.57 0.83 2.15 -1.26 -5.12 116.67 114.17 1weo s ASP 85 Ca 0.30 -1.07 -0.20 0.00 0.43 0.00 0.00 52.55 52.02 1weo s ASP 85 Cb 0.07 -0.92 -0.06 0.00 -0.30 0.00 0.00 42.92 41.71 1weo s ASP 85 CO 0.07 -0.28 1.01 2.30 -0.17 0.00 0.00 175.17 178.10 1weo n ILE 86 N 4.83 3.48 -3.66 4.11 -5.35 -1.26 -5.02 119.36 116.50 1weo n ILE 86 Ca -0.10 -0.50 -0.14 0.00 -0.27 0.00 0.00 62.75 61.74 1weo n ILE 86 Cb 0.45 -1.20 -0.08 0.00 -1.74 0.00 0.00 39.64 37.08 1weo n ILE 86 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1weo s ASP 87 N -1.13 -0.67 -0.05 7.28 1.47 -1.26 -5.16 116.67 117.16 1weo s ASP 87 Ca 0.73 1.30 -0.17 0.00 1.18 0.00 0.00 52.55 55.59 1weo s ASP 87 Cb -0.44 1.31 -0.05 0.00 -0.34 0.00 0.00 42.92 43.40 1weo s ASP 87 CO 0.49 -0.22 0.47 -0.94 0.68 0.00 0.00 175.17 175.64 1weo s SER 88 N 0.36 6.79 0.00 2.11 1.04 -1.26 -5.03 113.70 117.71 1weo s SER 88 Ca -0.00 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.37 1weo s SER 88 Cb -0.04 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1weo s SER 88 CO 0.01 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1weo n GLY 89 N 2.51 2.71 3.57 7.32 0.00 -1.26 -5.08 105.19 114.96 1weo n GLY 89 Ca -0.10 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 1weo n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1weo s PRO 90 N 1.22 2.54 -0.27 1.61 0.04 -1.26 -4.91 135.00 133.97 1weo s PRO 90 Ca 0.00 -0.54 0.03 0.00 0.04 0.00 0.00 61.00 60.53 1weo s PRO 90 Cb 0.00 -5.11 0.07 0.00 0.04 0.00 0.00 34.50 29.50 1weo s PRO 90 CO 0.00 -3.55 -0.06 0.45 0.04 0.00 0.00 177.00 173.88 1weo s SER 91 N 7.60 4.37 -0.20 6.66 0.15 -1.26 -5.08 113.70 125.95 1weo s SER 91 Ca 0.70 -1.52 -0.01 0.00 0.70 0.00 0.00 55.95 55.81 1weo s SER 91 Cb -0.05 -1.46 0.06 0.00 -1.71 0.00 0.00 66.02 62.85 1weo s SER 91 CO 0.03 -0.25 -0.01 -0.94 1.20 0.00 0.00 173.24 173.27 1weo s SER 92 N 1.14 3.22 0.00 5.45 1.04 -1.26 -5.27 113.70 118.01 1weo s SER 92 Ca -0.03 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.48 1weo s SER 92 Cb -0.19 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.08 1weo s SER 92 CO -0.07 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.50