#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 -0.15 0.26 1.61 1.04 -1.26 -5.19 113.70 110.02 1weo s SER 2 Ca 0.00 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.16 1weo s SER 2 Cb 0.00 0.36 -0.05 0.00 0.10 0.00 0.00 66.02 66.43 1weo s SER 2 CO 0.00 -0.66 0.11 -0.44 0.98 0.00 0.00 173.24 173.22 1weo s SER 3 N -2.91 1.15 0.00 7.02 0.01 -1.26 -5.16 113.70 112.55 1weo s SER 3 Ca 0.12 -1.41 0.00 0.00 1.31 0.00 0.00 55.95 55.98 1weo s SER 3 Cb 0.01 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1weo s SER 3 CO -0.01 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.49 1weo n GLY 4 N -0.46 1.75 3.32 3.44 0.00 -1.26 -5.18 105.19 106.80 1weo n GLY 4 Ca 0.00 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 1weo n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1weo s SER 5 N 1.92 -0.36 0.33 1.61 0.01 -1.26 -5.18 113.70 110.77 1weo s SER 5 Ca 0.00 0.42 0.03 0.00 1.31 0.00 0.00 55.95 57.71 1weo s SER 5 Cb 0.00 0.51 -0.01 0.00 0.21 0.00 0.00 66.02 66.73 1weo s SER 5 CO 0.00 -0.41 0.11 -1.54 0.41 0.00 0.00 173.24 171.81 1weo n SER 6 N 1.59 1.29 -4.58 2.44 3.41 -1.26 -5.11 113.62 111.40 1weo n SER 6 Ca -0.19 -2.72 -0.43 0.00 -0.26 0.00 0.00 58.87 55.28 1weo n SER 6 Cb 0.56 0.78 -0.05 0.00 -0.26 0.00 0.00 64.21 65.25 1weo n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1weo s GLY 7 N -2.99 1.57 0.35 5.00 0.00 -1.26 -5.03 107.32 104.96 1weo s GLY 7 Ca 0.15 -0.70 -0.28 0.00 0.00 0.00 0.00 44.72 43.90 1weo s GLY 7 CO 0.11 1.90 1.21 2.56 0.00 0.00 0.00 173.10 178.88 1weo s PRO 8 N 3.41 4.30 0.62 2.90 0.04 -1.26 -4.95 135.00 140.06 1weo s PRO 8 Ca 0.34 1.99 -0.17 0.00 0.04 0.00 0.00 61.00 63.20 1weo s PRO 8 Cb -0.12 -2.95 -0.14 0.00 0.04 0.00 0.00 34.50 31.33 1weo s PRO 8 CO 0.21 -0.15 -0.30 0.36 0.04 0.00 0.00 177.00 177.15 1weo n LYS 9 N 0.61 0.00 -2.13 4.56 0.00 -1.26 -4.78 118.16 115.16 1weo n LYS 9 Ca 0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.90 1weo n LYS 9 Cb 0.44 -0.97 -0.03 0.00 -0.00 0.00 0.00 35.03 34.48 1weo n LYS 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1weo s PRO 10 N -1.24 3.99 0.28 -1.58 0.04 -1.26 -5.01 135.00 130.22 1weo s PRO 10 Ca 0.50 1.83 0.05 0.00 0.04 0.00 0.00 61.00 63.43 1weo s PRO 10 Cb -0.40 -3.97 -0.02 0.00 0.04 0.00 0.00 34.50 30.15 1weo s PRO 10 CO 0.68 -1.05 0.41 -1.17 0.04 0.00 0.00 177.00 175.91 1weo s LEU 11 N 4.53 4.19 0.74 -3.56 2.96 -1.26 -5.11 118.68 121.17 1weo s LEU 11 Ca 0.69 0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 54.52 1weo s LEU 11 Cb -0.27 -2.85 0.06 0.00 0.50 0.00 0.00 46.19 43.63 1weo s LEU 11 CO 0.27 -0.20 1.08 -0.54 -1.32 0.00 0.00 176.35 175.64 1weo s LYS 12 N -4.06 2.22 0.10 1.98 -0.14 -1.26 -5.09 119.74 113.49 1weo s LYS 12 Ca 0.38 -0.02 0.05 0.00 -1.36 0.00 0.00 55.97 55.01 1weo s LYS 12 Cb -0.09 -2.08 -0.04 0.00 -1.68 0.00 0.00 37.83 33.94 1weo s LYS 12 CO 0.30 -1.32 0.02 -0.80 -0.76 0.00 0.00 175.35 172.78 1weo s ASN 13 N -4.51 5.10 -0.55 2.83 0.01 -1.26 -4.59 114.94 111.97 1weo s ASN 13 Ca 0.60 -0.17 -0.04 0.00 -0.71 0.00 0.00 52.86 52.55 1weo s ASN 13 Cb -0.11 -1.23 0.00 0.00 0.41 0.00 0.00 41.25 40.32 1weo s ASN 13 CO 0.47 0.16 0.48 -0.11 -1.51 0.00 0.00 177.10 176.59 1weo n LEU 14 N 0.45 -2.57 0.09 0.60 7.94 -1.26 -4.96 117.00 117.29 1weo n LEU 14 Ca -0.10 -0.22 -0.22 0.00 -1.11 0.00 0.00 56.01 54.36 1weo n LEU 14 Cb 0.52 -1.52 -0.15 0.00 0.53 0.00 0.00 43.42 42.80 1weo n LEU 14 CO 0.40 0.26 -0.07 0.44 -1.11 0.00 0.00 177.39 177.32 1weo h ASP 15 N -1.09 0.65 0.00 1.96 3.32 -2.00 -3.49 116.42 115.78 1weo h ASP 15 Ca -0.23 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 55.90 1weo h ASP 15 Cb 1.15 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1weo h ASP 15 CO 0.22 1.53 0.00 0.61 -1.72 0.00 0.00 179.24 179.88 1weo n GLY 16 N 1.65 2.45 0.48 2.75 0.00 -1.26 -4.98 105.19 106.27 1weo n GLY 16 Ca -0.15 -0.28 0.39 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.02 -1.68 1.61 1.13 -1.26 -4.30 117.38 112.86 1weo n GLN 17 Ca 0.00 1.06 -0.42 0.00 -1.94 0.00 0.00 57.00 55.70 1weo n GLN 17 Cb 0.00 -2.18 -0.03 0.00 0.11 0.00 0.00 30.24 28.14 1weo n GLN 17 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1weo s PHE 18 N -4.92 1.53 0.90 1.08 0.40 -1.26 -3.54 117.98 112.17 1weo s PHE 18 Ca -0.06 -0.34 -0.16 0.00 -0.60 0.00 0.00 56.93 55.77 1weo s PHE 18 Cb 0.26 -4.23 -0.07 0.00 0.51 0.00 0.00 43.02 39.49 1weo s PHE 18 CO 0.74 -5.40 -0.14 0.00 0.70 0.00 0.00 175.22 171.12 1weo n GLU 20 N 0.53 0.60 0.04 0.00 -0.58 -1.25 -3.42 120.64 116.56 1weo n GLU 20 Ca 0.04 0.09 -0.14 0.00 -0.42 0.00 0.00 57.16 56.73 1weo n GLU 20 Cb 0.53 -1.35 -0.09 0.00 -0.57 0.00 0.00 31.44 29.97 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 0.00 0.00 0.00 -3.67 2.04 -1.93 -3.35 117.51 110.60 1weo h ILE 21 Ca -0.39 0.00 -0.38 0.00 1.00 0.00 0.00 64.86 65.09 1weo h ILE 21 Cb 1.64 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 1weo h ILE 21 CO -0.05 0.00 -2.38 0.00 0.00 0.00 0.00 178.15 175.72 1weo n GLY 23 N 2.03 2.94 2.62 0.00 0.00 -1.22 -5.07 105.19 106.48 1weo n GLY 23 Ca -0.45 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.98 -4.64 1.61 8.00 -1.26 -3.57 116.55 114.71 1weo n ASP 24 Ca 0.00 0.70 -0.43 0.00 0.71 0.00 0.00 54.79 55.77 1weo n ASP 24 Cb 0.00 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.37 1weo n ASP 24 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1weo s GLN 25 N -0.79 3.92 -0.21 -1.24 0.74 -1.26 -1.38 119.66 119.45 1weo s GLN 25 Ca 0.48 1.53 -0.32 0.00 0.05 0.00 0.00 55.36 57.09 1weo s GLN 25 Cb -0.56 -3.94 -0.09 0.00 1.10 0.00 0.00 33.01 29.53 1weo s GLN 25 CO 0.48 -1.12 2.11 -0.89 -0.55 0.00 0.00 175.29 175.32 1weo n ILE 26 N 6.14 0.39 0.00 -2.34 5.41 -1.23 -4.87 119.36 122.86 1weo n ILE 26 Ca 0.16 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.62 1weo n ILE 26 Cb 0.46 -2.10 0.00 0.00 -0.71 0.00 0.00 39.64 37.29 1weo n ILE 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1weo n GLY 27 N 5.58 -2.36 3.55 7.39 0.00 -1.26 -4.76 105.19 113.32 1weo n GLY 27 Ca 0.31 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 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 2.78 0.77 0.99 1.43 -1.26 -3.53 118.68 119.86 1weo s LEU 28 Ca 0.00 -1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 51.97 1weo s LEU 28 Cb 0.00 -1.19 0.08 0.00 0.03 0.00 0.00 46.19 45.10 1weo s LEU 28 CO 0.00 -0.10 1.11 0.42 0.23 0.00 0.00 176.35 178.01 1weo s THR 29 N -2.52 2.12 0.33 5.49 -4.23 0.86 -4.75 115.64 112.93 1weo s THR 29 Ca 0.32 -0.13 0.11 0.00 -1.18 0.00 0.00 61.69 60.81 1weo s THR 29 Cb -0.02 -2.99 0.33 0.00 1.34 0.00 0.00 72.50 71.16 1weo s THR 29 CO 0.17 0.00 1.64 0.58 -0.54 0.00 0.00 174.62 176.47 1weo h VAL 30 N -0.87 0.24 0.05 2.29 2.07 -1.89 -0.25 116.25 117.88 1weo h VAL 30 Ca -0.45 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1weo h VAL 30 Cb 1.32 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1weo h VAL 30 CO 0.62 0.04 -0.02 -0.33 0.02 0.00 0.00 177.57 177.90 1weo h GLU 31 N 0.22 -0.06 0.00 1.57 4.39 -1.97 -3.48 114.58 115.25 1weo h GLU 31 Ca 0.69 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.39 1weo h GLU 31 Cb 1.56 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.22 1weo h GLU 31 CO -0.67 0.55 0.00 0.41 -1.16 0.00 0.00 179.01 178.14 1weo n GLY 32 N 0.76 0.68 3.66 -3.84 0.00 -0.11 -5.15 105.19 101.20 1weo n GLY 32 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1weo n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1weo s ASP 33 N 0.00 2.83 0.09 1.61 1.11 -1.26 -4.25 116.67 116.80 1weo s ASP 33 Ca 0.00 2.00 -0.31 0.00 0.18 0.00 0.00 52.55 54.42 1weo s ASP 33 Cb 0.00 -2.50 -0.09 0.00 1.07 0.00 0.00 42.92 41.41 1weo s ASP 33 CO 0.00 -3.13 1.59 -0.22 1.18 0.00 0.00 175.17 174.59 1weo s LEU 34 N -6.60 4.36 -0.96 1.23 1.98 -1.26 -0.10 118.68 117.34 1weo s LEU 34 Ca 0.66 2.48 -0.25 0.00 -2.89 0.00 0.00 54.13 54.14 1weo s LEU 34 Cb -0.22 -3.57 -0.10 0.00 0.66 0.00 0.00 46.19 42.96 1weo s LEU 34 CO 0.59 -0.84 2.07 0.12 -1.89 0.00 0.00 176.35 176.40 1weo s PHE 35 N 2.09 1.62 -1.25 5.38 5.36 -1.23 -4.79 117.98 125.16 1weo s PHE 35 Ca 0.71 1.10 -0.16 0.00 -0.96 0.00 0.00 56.93 57.63 1weo s PHE 35 Cb -0.40 -3.81 0.12 0.00 -0.34 0.00 0.00 43.02 38.59 1weo s PHE 35 CO 0.31 -1.47 1.58 0.08 -1.46 0.00 0.00 175.22 174.27 1weo s VAL 36 N 12.16 4.59 0.01 3.12 1.01 -1.26 -4.75 120.40 135.27 1weo s VAL 36 Ca 0.76 -2.28 -0.03 0.00 0.00 0.00 0.00 61.98 60.44 1weo s VAL 36 Cb -0.07 -5.05 -0.01 0.00 0.00 0.00 0.00 36.38 31.26 1weo s VAL 36 CO 0.06 -1.82 0.78 0.00 0.00 0.00 0.00 175.10 174.12 1weo n ALA 37 N 6.99 -0.05 -2.74 5.51 0.00 -1.26 -4.34 120.51 124.62 1weo n ALA 37 Ca 0.43 0.07 -0.32 0.00 0.00 0.00 0.00 53.44 53.62 1weo n ALA 37 Cb 0.44 0.31 -0.16 0.00 0.00 0.00 0.00 19.45 20.05 1weo n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1weo n ASN 39 N 2.92 2.84 -0.11 0.00 5.15 -1.26 -3.38 115.26 121.41 1weo n ASN 39 Ca -0.17 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.75 1weo n ASN 39 Cb 0.52 0.77 0.01 0.00 -0.53 0.00 0.00 39.78 40.55 1weo n ASN 39 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1weo h GLU 40 N 0.00 -0.10 0.00 1.20 4.39 -1.96 -3.16 114.58 114.95 1weo h GLU 40 Ca -0.22 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.35 1weo h GLU 40 Cb 1.46 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.11 1weo h GLU 40 CO 0.01 -0.07 -1.87 0.00 -1.16 0.00 0.00 179.01 175.92 1weo n GLY 42 N 1.83 2.79 1.80 0.00 0.00 -1.20 -5.01 105.19 105.40 1weo n GLY 42 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1weo n GLY 42 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1weo n PHE 43 N -0.21 0.75 -1.93 1.61 7.35 -1.26 -4.71 117.46 119.06 1weo n PHE 43 Ca 0.00 0.49 -0.34 0.00 -0.76 0.00 0.00 57.45 56.84 1weo n PHE 43 Cb 0.00 -1.16 0.03 0.00 0.35 0.00 0.00 39.48 38.70 1weo n PHE 43 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1weo s PRO 44 N 2.34 2.99 -0.30 -7.13 0.04 -1.26 -3.63 135.00 128.04 1weo s PRO 44 Ca 0.58 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 1weo s PRO 44 Cb -0.77 -1.97 0.16 0.00 0.04 0.00 0.00 34.50 31.96 1weo s PRO 44 CO 0.38 -1.12 0.98 0.00 0.04 0.00 0.00 177.00 177.28 1weo s ALA 45 N -2.14 -2.71 1.24 8.56 0.00 -1.26 -3.88 121.76 121.58 1weo s ALA 45 Ca 0.69 2.03 -0.15 0.00 0.00 0.00 0.00 51.96 54.53 1weo s ALA 45 Cb -0.22 -2.07 0.23 0.00 0.00 0.00 0.00 23.12 21.06 1weo s ALA 45 CO 0.36 -0.98 0.64 0.00 0.00 0.00 0.00 175.76 175.78 1weo h ARG 47 N 0.00 -0.24 -0.26 0.00 2.43 -1.96 -1.76 114.38 112.59 1weo h ARG 47 Ca -0.26 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1weo h ARG 47 Cb 0.84 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1weo h ARG 47 CO 0.16 0.12 0.00 -0.35 -1.51 0.00 0.00 179.97 178.40 1weo n PRO 48 N -5.02 0.49 0.00 0.20 -0.04 -1.26 -1.67 135.00 127.70 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 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.52 -0.05 0.00 5.03 -1.04 -3.20 116.97 118.23 1weo h TYR 50 Ca 0.00 -0.38 -0.02 0.00 2.58 0.00 0.00 58.73 60.91 1weo h TYR 50 Cb 0.75 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 39.01 1weo h TYR 50 CO 0.00 1.45 -0.05 0.93 -1.32 0.00 0.00 178.16 179.17 1weo h GLU 51 N 0.08 0.13 -0.96 1.82 4.39 -1.56 -3.11 114.58 115.37 1weo h GLU 51 Ca -0.26 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.45 1weo h GLU 51 Cb 2.04 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 30.62 1weo h GLU 51 CO 0.17 0.57 0.62 -0.92 -1.16 0.00 0.00 179.01 178.29 1weo h TYR 52 N -0.32 1.12 0.00 4.33 3.20 -1.76 0.10 116.97 123.65 1weo h TYR 52 Ca 0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1weo h TYR 52 Cb 0.55 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 1weo h TYR 52 CO 0.09 0.55 -0.04 1.49 -1.64 0.00 0.00 178.16 178.61 1weo h GLU 53 N 1.07 0.00 0.00 1.82 4.57 -1.54 0.46 114.58 120.97 1weo h GLU 53 Ca 0.43 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.56 1weo h GLU 53 Cb 0.25 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1weo h GLU 53 CO -0.18 0.04 -1.42 0.54 -1.18 0.00 0.00 179.01 176.81 1weo n ARG 54 N -3.52 0.63 -0.01 1.92 1.74 0.22 -0.71 116.66 116.93 1weo n ARG 54 Ca -0.02 0.04 -0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1weo n ARG 54 Cb 0.15 -1.72 -0.00 0.00 -1.02 0.00 0.00 32.46 29.87 1weo n ARG 54 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1weo h ARG 55 N 0.00 0.00 0.01 5.56 1.12 -0.02 -3.44 114.38 117.61 1weo h ARG 55 Ca -0.05 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.48 1weo h ARG 55 Cb 1.15 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 31.06 1weo h ARG 55 CO 0.01 0.00 -2.06 0.39 -3.11 0.00 0.00 179.97 175.20 1weo n GLU 56 N -2.42 0.67 0.00 0.20 -0.58 0.01 -4.95 120.64 113.56 1weo n GLU 56 Ca -0.01 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1weo n GLU 56 Cb 0.02 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.23 1weo n GLU 56 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1weo n GLY 57 N 1.72 -2.91 0.37 0.62 0.00 -0.34 -4.94 105.19 99.71 1weo n GLY 57 Ca -0.27 -0.98 0.04 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.66 0.15 -3.28 2.61 -2.24 -1.00 -4.82 114.28 105.05 1weo n THR 58 Ca 0.00 -0.57 -0.17 0.00 -2.27 0.00 0.00 64.05 61.04 1weo n THR 58 Cb 0.00 1.08 0.06 0.00 -2.10 0.00 0.00 70.33 69.37 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 0.47 -5.82 -3.66 -0.78 6.02 0.11 -5.02 117.38 108.70 1weo n GLN 59 Ca 0.06 0.63 -0.19 0.00 -0.01 0.00 0.00 57.00 57.48 1weo n GLN 59 Cb 0.24 -5.04 -0.17 0.00 1.02 0.00 0.00 30.24 26.29 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 -3.38 1.13 -0.10 1.08 0.01 -1.26 -3.95 114.94 108.46 1weo s ASN 60 Ca 0.36 0.09 -0.38 0.00 -0.71 0.00 0.00 52.86 52.23 1weo s ASN 60 Cb -0.16 -0.00 -0.15 0.00 0.41 0.00 0.00 41.25 41.35 1weo s ASN 60 CO 0.55 -0.26 1.65 0.00 -1.51 0.00 0.00 177.10 177.53 1weo n PRO 62 N 4.66 0.49 -0.02 0.00 -0.04 -1.26 0.27 135.00 139.10 1weo n PRO 62 Ca 0.23 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.66 1weo n PRO 62 Cb 0.19 -1.30 -0.02 0.00 -0.04 0.00 0.00 33.50 32.33 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 -0.80 0.09 0.00 0.54 7.27 -1.26 -4.84 117.38 118.38 1weo n GLN 63 Ca 0.07 0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.17 1weo n GLN 63 Cb 0.03 -0.97 0.00 0.00 2.41 0.00 0.00 30.24 31.71 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 -1.27 -3.50 -4.05 0.00 4.76 0.76 -4.88 118.16 109.98 1weo n LYS 65 Ca 0.00 0.54 -0.31 0.00 -2.87 0.00 0.00 58.31 55.67 1weo n LYS 65 Cb 0.00 -4.80 -0.06 0.00 -1.84 0.00 0.00 35.03 28.32 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 -3.69 4.55 0.11 -0.18 2.01 -1.26 -4.65 115.64 112.53 1weo s THR 66 Ca 0.13 -0.75 -0.35 0.00 0.31 0.00 0.00 61.69 61.03 1weo s THR 66 Cb -0.04 -3.19 -0.17 0.00 0.01 0.00 0.00 72.50 69.11 1weo s THR 66 CO 0.84 0.14 1.19 -2.11 -0.69 0.00 0.00 174.62 173.98 1weo n ARG 67 N 0.49 0.89 -1.72 4.92 1.85 -1.26 -3.89 116.66 117.94 1weo n ARG 67 Ca -0.09 0.32 -0.30 0.00 -1.00 0.00 0.00 57.85 56.79 1weo n ARG 67 Cb 0.52 -1.85 0.18 0.00 -1.05 0.00 0.00 32.46 30.25 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 0.08 1.69 -0.05 2.89 1.51 -1.25 -5.01 117.35 117.21 1weo s TYR 68 Ca 0.81 0.48 -0.17 0.00 -1.01 0.00 0.00 57.07 57.17 1weo s TYR 68 Cb -0.97 -3.83 0.03 0.00 -0.11 0.00 0.00 41.96 37.08 1weo s TYR 68 CO 0.51 -2.72 0.39 -1.59 -1.11 0.00 0.00 175.55 171.03 1weo s LYS 69 N -5.69 0.69 0.16 -0.62 0.00 -1.26 -5.11 119.74 107.91 1weo s LYS 69 Ca 0.71 0.02 -0.32 0.00 0.00 0.00 0.00 55.97 56.38 1weo s LYS 69 Cb -0.07 0.32 -0.12 0.00 0.00 0.00 0.00 37.83 37.96 1weo s LYS 69 CO 0.53 -0.18 1.77 -2.13 0.00 0.00 0.00 175.35 175.34 1weo n ARG 70 N 1.52 2.73 -2.70 1.78 0.63 -1.26 -4.98 116.66 114.39 1weo n ARG 70 Ca -0.20 0.99 -0.13 0.00 -0.92 0.00 0.00 57.85 57.59 1weo n ARG 70 Cb 0.56 -2.85 -0.00 0.00 0.45 0.00 0.00 32.46 30.62 1weo n ARG 70 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1weo n LEU 71 N 4.74 0.00 -0.13 6.15 4.77 -0.13 -4.96 117.00 127.44 1weo n LEU 71 Ca 0.17 -1.38 -0.02 0.00 -0.03 0.00 0.00 56.01 54.75 1weo n LEU 71 Cb 0.35 0.01 0.22 0.00 -2.33 0.00 0.00 43.42 41.67 1weo n LEU 71 CO 0.65 -0.39 1.03 0.03 -1.33 0.00 0.00 177.39 177.38 1weo h ARG 72 N 0.00 0.81 0.00 3.23 2.47 -2.00 -3.13 114.38 115.77 1weo h ARG 72 Ca -0.17 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 1weo h ARG 72 Cb 0.60 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1weo h ARG 72 CO 0.27 0.69 -1.17 0.41 0.56 0.00 0.00 179.97 180.73 1weo n GLY 73 N -0.99 -0.49 3.40 0.04 0.00 -1.26 -4.81 105.19 101.08 1weo n GLY 73 Ca 0.04 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 1weo n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1weo s SER 74 N -3.00 6.16 0.69 1.61 0.15 -1.18 -5.04 113.70 113.10 1weo s SER 74 Ca -0.00 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.38 1weo s SER 74 Cb 0.10 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 1weo s SER 74 CO 0.58 -0.70 0.00 -0.81 1.20 0.00 0.00 173.24 173.51 1weo n PRO 75 N 5.40 -0.40 -2.87 5.44 -0.04 -1.26 -0.95 135.00 140.31 1weo n PRO 75 Ca -0.11 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.93 1weo n PRO 75 Cb 0.44 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.86 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 -2.08 4.42 0.50 0.54 3.52 -1.26 -4.70 118.95 119.89 1weo s ARG 76 Ca 0.00 1.12 0.01 0.00 -0.13 0.00 0.00 55.73 56.73 1weo s ARG 76 Cb 0.00 -3.50 -0.01 0.00 -1.56 0.00 0.00 34.95 29.88 1weo s ARG 76 CO 0.00 -0.14 0.02 0.14 -0.81 0.00 0.00 175.30 174.51 1weo s VAL 77 N 1.45 1.03 0.31 7.11 -7.23 -1.26 -5.05 120.40 116.76 1weo s VAL 77 Ca 0.43 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.33 1weo s VAL 77 Cb -0.18 -2.13 -0.14 0.00 0.56 0.00 0.00 36.38 34.48 1weo s VAL 77 CO 0.19 0.00 0.80 -0.62 -0.31 0.00 0.00 175.10 175.16 1weo n GLU 78 N -1.23 0.90 0.00 4.82 1.02 -1.26 -1.95 120.64 122.93 1weo n GLU 78 Ca -0.18 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1weo n GLU 78 Cb 0.67 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 1weo n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1weo n GLY 79 N 1.50 3.03 3.64 0.62 0.00 -1.26 -5.02 105.19 107.70 1weo n GLY 79 Ca 0.12 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1weo n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1weo s ASP 80 N 0.43 6.69 -0.77 1.61 1.11 -0.82 -3.39 116.67 121.53 1weo s ASP 80 Ca 0.00 1.38 0.00 0.00 0.18 0.00 0.00 52.55 54.11 1weo s ASP 80 Cb 0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.45 1weo s ASP 80 CO 0.00 -1.03 0.00 1.21 1.18 0.00 0.00 175.17 176.53 1weo n GLU 81 N 7.20 -1.94 -4.44 8.23 2.13 -1.26 -4.90 120.64 125.66 1weo n GLU 81 Ca 0.15 0.43 -0.22 0.00 0.66 0.00 0.00 57.16 58.18 1weo n GLU 81 Cb 0.46 -4.82 -0.10 0.00 0.27 0.00 0.00 31.44 27.24 1weo n GLU 81 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1weo s ASP 82 N -1.88 2.89 0.25 4.31 1.01 -1.22 -5.11 116.67 116.92 1weo s ASP 82 Ca 0.00 -1.18 -0.30 0.00 0.71 0.00 0.00 52.55 51.78 1weo s ASP 82 Cb 0.00 -0.19 -0.10 0.00 1.01 0.00 0.00 42.92 43.64 1weo s ASP 82 CO 0.00 -0.31 1.41 -0.70 0.21 0.00 0.00 175.17 175.78 1weo s GLU 83 N -3.71 4.29 0.01 8.23 2.56 -1.26 -4.64 118.70 124.18 1weo s GLU 83 Ca 0.30 2.27 -0.18 0.00 0.00 0.00 0.00 54.97 57.35 1weo s GLU 83 Cb 0.03 -3.11 -0.33 0.00 2.00 0.00 0.00 34.13 32.72 1weo s GLU 83 CO 0.12 -0.38 0.99 0.93 -0.56 0.00 0.00 175.26 176.37 1weo h GLU 84 N 4.87 0.48 -6.01 4.30 4.39 -2.00 -3.43 114.58 117.18 1weo h GLU 84 Ca -0.46 -0.78 -0.61 0.00 0.34 0.00 0.00 59.36 57.85 1weo h GLU 84 Cb 1.22 0.28 -0.11 0.00 -0.10 0.00 0.00 28.75 30.04 1weo h GLU 84 CO 0.76 1.36 0.50 0.16 -1.16 0.00 0.00 179.01 180.64 1weo s ASP 85 N -7.35 6.49 0.94 1.42 1.47 -1.26 -5.04 116.67 113.34 1weo s ASP 85 Ca -0.11 0.10 -0.12 0.00 1.18 0.00 0.00 52.55 53.60 1weo s ASP 85 Cb 0.03 -2.43 0.15 0.00 -0.34 0.00 0.00 42.92 40.34 1weo s ASP 85 CO 0.91 -0.97 1.12 0.27 0.68 0.00 0.00 175.17 177.17 1weo s ILE 86 N 3.55 2.04 0.20 2.11 -5.25 -1.26 -5.09 121.20 117.51 1weo s ILE 86 Ca 0.35 0.01 0.05 0.00 -0.99 0.00 0.00 60.65 60.06 1weo s ILE 86 Cb -0.11 -2.68 -0.05 0.00 2.95 0.00 0.00 42.46 42.57 1weo s ILE 86 CO 0.24 -0.02 -0.06 -1.81 -1.79 0.00 0.00 174.94 171.51 1weo s ASP 87 N -3.84 1.97 0.19 4.36 1.01 -1.26 -5.05 116.67 114.05 1weo s ASP 87 Ca 0.64 -1.12 -0.25 0.00 0.71 0.00 0.00 52.55 52.52 1weo s ASP 87 Cb -0.16 -0.03 0.06 0.00 1.01 0.00 0.00 42.92 43.80 1weo s ASP 87 CO 0.55 -0.40 1.55 0.28 0.21 0.00 0.00 175.17 177.35 1weo h SER 88 N 2.57 -1.86 -3.50 0.27 0.02 -2.00 -3.47 113.55 105.57 1weo h SER 88 Ca -0.38 0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1weo h SER 88 Cb 1.21 0.87 0.00 0.00 0.14 0.00 0.00 62.40 64.62 1weo h SER 88 CO 0.64 -0.26 -0.30 0.61 -1.14 0.00 0.00 176.83 176.39 1weo n GLY 89 N -1.34 -3.85 0.00 -3.77 0.00 -1.26 -4.81 105.19 90.15 1weo n GLY 89 Ca 0.05 -0.44 0.07 0.00 0.00 0.00 0.00 46.02 45.71 1weo n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1weo n PRO 90 N 0.56 0.25 0.23 1.61 -0.04 -1.26 -3.67 135.00 132.68 1weo n PRO 90 Ca 0.00 0.13 -0.18 0.00 -0.04 0.00 0.00 63.50 63.41 1weo n PRO 90 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 1weo n PRO 90 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1weo h SER 91 N 0.00 -1.45 -3.80 3.54 0.02 -1.99 -3.42 113.55 106.45 1weo h SER 91 Ca 0.00 0.13 -0.68 0.00 -0.84 0.00 0.00 61.79 60.40 1weo h SER 91 Cb 0.12 0.50 -0.20 0.00 0.14 0.00 0.00 62.40 62.96 1weo h SER 91 CO 0.00 -0.63 -0.76 -0.94 -1.14 0.00 0.00 176.83 173.36 1weo s SER 92 N -4.49 4.15 0.00 3.07 1.04 -1.24 -5.31 113.70 110.92 1weo s SER 92 Ca -0.17 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1weo s SER 92 Cb 0.05 -0.80 0.00 0.00 0.10 0.00 0.00 66.02 65.37 1weo s SER 92 CO 0.61 0.26 0.43 0.61 0.98 0.00 0.00 173.24 176.13