#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 -0.19 0.14 1.61 0.15 -1.26 -5.19 113.70 108.96 1weo s SER 2 Ca 0.00 -0.74 -0.25 0.00 0.70 0.00 0.00 55.95 55.67 1weo s SER 2 Cb 0.00 0.75 0.08 0.00 -1.71 0.00 0.00 66.02 65.14 1weo s SER 2 CO 0.00 -1.41 1.06 -0.94 1.20 0.00 0.00 173.24 173.15 1weo s SER 3 N -2.96 -0.07 0.00 5.45 1.04 -1.26 -5.19 113.70 110.71 1weo s SER 3 Ca 0.13 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1weo s SER 3 Cb -0.06 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1weo s SER 3 CO 0.08 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1weo n GLY 4 N -0.60 2.50 3.32 7.32 0.00 -1.26 -5.18 105.19 111.29 1weo n GLY 4 Ca -0.04 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 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 1.43 2.29 -0.19 1.61 0.01 -1.26 -5.14 113.70 112.45 1weo s SER 5 Ca 0.00 -1.05 -0.05 0.00 1.31 0.00 0.00 55.95 56.16 1weo s SER 5 Cb 0.00 -0.09 0.07 0.00 0.21 0.00 0.00 66.02 66.22 1weo s SER 5 CO 0.00 -0.27 0.14 -0.55 0.41 0.00 0.00 173.24 172.98 1weo s SER 6 N -3.28 1.99 0.00 2.44 0.15 -1.26 -5.13 113.70 108.60 1weo s SER 6 Ca 0.22 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1weo s SER 6 Cb 0.01 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1weo s SER 6 CO 0.06 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1weo n GLY 7 N 5.29 1.51 3.63 9.45 0.00 -1.26 -5.17 105.19 118.63 1weo n GLY 7 Ca -0.06 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.97 -0.56 0.13 1.61 0.04 -1.26 -5.08 135.00 128.91 1weo s PRO 8 Ca 0.00 0.18 0.09 0.00 0.04 0.00 0.00 61.00 61.30 1weo s PRO 8 Cb 0.00 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.85 1weo s PRO 8 CO 0.00 -3.32 -0.20 0.15 0.04 0.00 0.00 177.00 173.67 1weo s LYS 9 N -5.21 1.20 -0.09 4.56 3.01 -1.26 -5.11 119.74 116.85 1weo s LYS 9 Ca 0.69 -1.28 -0.30 0.00 -1.01 0.00 0.00 55.97 54.07 1weo s LYS 9 Cb -0.14 -1.40 -0.04 0.00 -1.01 0.00 0.00 37.83 35.24 1weo s LYS 9 CO 0.57 0.31 1.51 -1.25 0.51 0.00 0.00 175.35 177.00 1weo s PRO 10 N -2.28 4.20 -0.00 -1.68 0.04 -1.26 -4.98 135.00 129.03 1weo s PRO 10 Ca 0.11 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 1weo s PRO 10 Cb -0.08 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 1weo s PRO 10 CO 0.05 -0.79 1.10 -1.17 0.04 0.00 0.00 177.00 176.23 1weo s LEU 11 N 3.79 4.34 0.04 -3.56 0.20 -1.26 -5.04 118.68 117.19 1weo s LEU 11 Ca 0.67 1.79 0.04 0.00 0.69 0.00 0.00 54.13 57.32 1weo s LEU 11 Cb -0.29 -3.57 -0.02 0.00 -0.43 0.00 0.00 46.19 41.88 1weo s LEU 11 CO 0.24 -0.42 -0.11 -0.75 -0.29 0.00 0.00 176.35 175.03 1weo s LYS 12 N 1.38 0.69 0.31 1.98 2.47 -1.26 -5.12 119.74 120.20 1weo s LYS 12 Ca 0.55 -0.72 -0.15 0.00 -1.56 0.00 0.00 55.97 54.08 1weo s LYS 12 Cb -0.24 -0.61 -0.12 0.00 -1.46 0.00 0.00 37.83 35.40 1weo s LYS 12 CO 0.26 0.14 0.04 0.09 0.16 0.00 0.00 175.35 176.04 1weo n ASN 13 N 1.75 -2.24 -2.46 1.43 4.13 -1.26 -4.83 115.26 111.78 1weo n ASN 13 Ca -0.20 0.58 -0.35 0.00 1.68 0.00 0.00 54.58 56.30 1weo n ASN 13 Cb 0.55 -0.65 0.06 0.00 -1.54 0.00 0.00 39.78 38.20 1weo n ASN 13 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1weo n LEU 14 N 1.76 7.28 -0.33 3.41 4.77 -1.26 -4.76 117.00 127.87 1weo n LEU 14 Ca 0.08 -4.51 0.17 0.00 -0.03 0.00 0.00 56.01 51.72 1weo n LEU 14 Cb 0.31 -0.92 0.34 0.00 -2.33 0.00 0.00 43.42 40.82 1weo n LEU 14 CO 0.41 1.64 0.88 -0.78 -1.33 0.00 0.00 177.39 178.20 1weo h ASP 15 N 2.30 -0.24 0.00 -1.43 3.58 -2.01 -3.45 116.42 115.16 1weo h ASP 15 Ca 0.56 0.26 0.00 0.00 0.42 0.00 0.00 57.03 58.27 1weo h ASP 15 Cb 0.68 0.40 0.00 0.00 1.72 0.00 0.00 39.33 42.14 1weo h ASP 15 CO 1.45 -0.33 0.00 0.61 -2.88 0.00 0.00 179.24 178.08 1weo n GLY 16 N -1.43 2.83 0.60 -0.78 0.00 -1.26 -4.95 105.19 100.19 1weo n GLY 16 Ca 0.26 -0.70 0.41 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 0.00 -1.67 1.61 6.02 -1.26 -4.34 117.38 117.75 1weo n GLN 17 Ca 0.00 0.97 -0.43 0.00 -0.01 0.00 0.00 57.00 57.53 1weo n GLN 17 Cb 0.00 -2.30 -0.03 0.00 1.02 0.00 0.00 30.24 28.93 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 -3.52 2.52 -1.29 1.08 3.01 -1.26 -3.36 117.46 114.64 1weo n PHE 18 Ca 0.34 -0.33 -0.37 0.00 1.01 0.00 0.00 57.45 58.10 1weo n PHE 18 Cb 1.70 -2.79 0.05 0.00 -0.01 0.00 0.00 39.48 38.43 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 0.14 0.49 -0.06 0.00 -0.58 -0.55 -3.33 120.64 116.75 1weo n GLU 20 Ca 0.09 0.12 -0.08 0.00 -0.42 0.00 0.00 57.16 56.87 1weo n GLU 20 Cb 0.49 -1.38 -0.06 0.00 -0.57 0.00 0.00 31.44 29.92 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 -0.09 0.00 0.02 -3.67 2.04 -1.93 -3.32 117.51 110.57 1weo h ILE 21 Ca -0.46 0.00 -0.39 0.00 1.00 0.00 0.00 64.86 65.01 1weo h ILE 21 Cb 1.67 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 1weo h ILE 21 CO -0.10 0.00 -2.33 0.00 0.00 0.00 0.00 178.15 175.72 1weo n GLY 23 N 1.98 3.51 2.41 0.00 0.00 -1.21 -5.09 105.19 106.79 1weo n GLY 23 Ca -0.44 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.35 -4.64 1.61 9.92 -1.26 -3.61 116.55 116.22 1weo n ASP 24 Ca 0.00 0.55 -0.43 0.00 -0.53 0.00 0.00 54.79 54.38 1weo n ASP 24 Cb 0.00 -0.64 -0.02 0.00 -0.64 0.00 0.00 41.12 39.82 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 -0.73 4.06 -0.19 -1.24 0.74 -1.26 -1.09 119.66 119.94 1weo s GLN 25 Ca 0.43 1.45 -0.34 0.00 0.05 0.00 0.00 55.36 56.96 1weo s GLN 25 Cb -0.43 -3.83 -0.11 0.00 1.10 0.00 0.00 33.01 29.75 1weo s GLN 25 CO 0.47 -0.93 2.03 -0.89 -0.55 0.00 0.00 175.29 175.42 1weo n ILE 26 N 5.82 0.42 0.00 -2.34 5.41 -1.21 -4.84 119.36 122.62 1weo n ILE 26 Ca 0.14 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1weo n ILE 26 Cb 0.46 -1.92 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 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 5.25 -0.66 3.63 7.39 0.00 -1.26 -4.83 105.19 114.71 1weo n GLY 27 Ca 0.29 -1.28 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 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 3.14 0.85 0.99 1.43 -1.26 -3.34 118.68 120.49 1weo s LEU 28 Ca 0.00 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.35 1weo s LEU 28 Cb 0.00 -1.69 0.10 0.00 0.03 0.00 0.00 46.19 44.63 1weo s LEU 28 CO 0.00 0.02 1.09 0.42 0.23 0.00 0.00 176.35 178.12 1weo s THR 29 N -2.20 2.84 0.51 5.49 -4.23 0.73 -4.77 115.64 114.02 1weo s THR 29 Ca 0.30 0.27 0.35 0.00 -1.18 0.00 0.00 61.69 61.44 1weo s THR 29 Cb -0.07 -2.84 0.55 0.00 1.34 0.00 0.00 72.50 71.48 1weo s THR 29 CO 0.19 -0.36 1.74 1.62 -0.54 0.00 0.00 174.62 177.27 1weo h VAL 30 N -1.37 0.32 0.09 2.29 3.04 -1.98 -0.96 116.25 117.68 1weo h VAL 30 Ca -0.48 -0.03 -0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1weo h VAL 30 Cb 1.27 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1weo h VAL 30 CO 0.56 0.01 -0.04 -0.08 -1.01 0.00 0.00 177.57 177.01 1weo h GLU 31 N 0.07 -0.12 0.00 4.17 4.22 -2.03 -3.48 114.58 117.41 1weo h GLU 31 Ca 0.66 0.01 0.00 0.00 0.08 0.00 0.00 59.36 60.11 1weo h GLU 31 Cb 2.44 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.72 1weo h GLU 31 CO -0.10 0.19 0.00 0.41 -2.18 0.00 0.00 179.01 177.33 1weo n GLY 32 N 1.30 0.22 3.67 1.92 0.00 -0.37 -5.16 105.19 106.78 1weo n GLY 32 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 1.65 -0.04 1.61 1.01 -1.26 -4.54 116.67 115.11 1weo s ASP 33 Ca 0.00 0.67 -0.30 0.00 0.71 0.00 0.00 52.55 53.63 1weo s ASP 33 Cb 0.00 -0.97 -0.03 0.00 1.01 0.00 0.00 42.92 42.93 1weo s ASP 33 CO 0.00 -3.67 1.17 -0.22 0.21 0.00 0.00 175.17 172.65 1weo s LEU 34 N -6.66 4.30 -0.61 1.23 1.98 -1.26 -0.19 118.68 117.47 1weo s LEU 34 Ca 0.70 1.81 -0.28 0.00 -2.89 0.00 0.00 54.13 53.47 1weo s LEU 34 Cb -0.10 -3.56 0.02 0.00 0.66 0.00 0.00 46.19 43.20 1weo s LEU 34 CO 0.56 -0.53 1.41 0.12 -1.89 0.00 0.00 176.35 176.01 1weo s PHE 35 N 1.94 2.25 -0.69 5.38 5.36 -1.21 -4.74 117.98 126.26 1weo s PHE 35 Ca 0.55 0.38 0.02 0.00 -0.96 0.00 0.00 56.93 56.92 1weo s PHE 35 Cb -0.25 -4.43 0.17 0.00 -0.34 0.00 0.00 43.02 38.18 1weo s PHE 35 CO 0.23 -2.00 0.50 0.54 -1.46 0.00 0.00 175.22 173.03 1weo s VAL 36 N 6.18 3.34 0.16 3.12 0.11 -1.26 -4.82 120.40 127.24 1weo s VAL 36 Ca 0.49 -3.71 -0.25 0.00 -2.93 0.00 0.00 61.98 55.58 1weo s VAL 36 Cb -0.10 -3.18 0.01 0.00 -1.53 0.00 0.00 36.38 31.58 1weo s VAL 36 CO 0.22 -0.95 1.42 0.00 -3.33 0.00 0.00 175.10 172.46 1weo n ALA 37 N 2.61 -0.46 -2.52 1.54 0.00 -1.25 -4.33 120.51 116.09 1weo n ALA 37 Ca 0.14 0.82 -0.33 0.00 0.00 0.00 0.00 53.44 54.07 1weo n ALA 37 Cb 0.35 -0.20 -0.12 0.00 0.00 0.00 0.00 19.45 19.48 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 2.26 3.54 -0.24 0.00 5.15 -1.26 -3.82 115.26 120.89 1weo n ASN 39 Ca -0.17 -0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.68 1weo n ASN 39 Cb 0.52 -0.02 -0.10 0.00 -0.53 0.00 0.00 39.78 39.66 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 -0.22 0.09 1.20 4.39 -1.97 -2.99 114.58 115.08 1weo h GLU 40 Ca -0.02 0.02 -0.35 0.00 0.34 0.00 0.00 59.36 59.34 1weo h GLU 40 Cb 1.03 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.71 1weo h GLU 40 CO -0.00 -0.15 -1.93 0.00 -1.16 0.00 0.00 179.01 175.76 1weo n GLY 42 N 1.89 1.13 3.63 0.00 0.00 -1.13 -5.06 105.19 105.64 1weo n GLY 42 Ca -0.28 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.03 3.14 -0.36 1.61 5.36 -1.25 -4.99 117.98 119.46 1weo s PHE 43 Ca 0.00 1.03 -0.28 0.00 -0.96 0.00 0.00 56.93 56.72 1weo s PHE 43 Cb 0.00 -3.61 -0.01 0.00 -0.34 0.00 0.00 43.02 39.05 1weo s PHE 43 CO 0.00 -0.75 1.71 -1.25 -1.46 0.00 0.00 175.22 173.46 1weo s PRO 44 N 3.51 3.37 -0.08 10.12 0.04 -1.26 -3.80 135.00 146.90 1weo s PRO 44 Ca 0.42 1.28 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 1weo s PRO 44 Cb -0.12 -4.16 0.04 0.00 0.04 0.00 0.00 34.50 30.29 1weo s PRO 44 CO 0.16 -1.81 0.06 0.00 0.04 0.00 0.00 177.00 175.45 1weo s ALA 45 N 6.59 0.36 1.33 8.56 0.00 -1.26 -1.48 121.76 135.86 1weo s ALA 45 Ca 0.75 0.01 -0.18 0.00 0.00 0.00 0.00 51.96 52.54 1weo s ALA 45 Cb -0.20 -0.75 0.27 0.00 0.00 0.00 0.00 23.12 22.44 1weo s ALA 45 CO 0.33 -0.67 0.67 0.00 0.00 0.00 0.00 175.76 176.09 1weo h ARG 47 N 0.00 -0.24 -0.39 0.00 2.43 -1.97 -2.51 114.38 111.69 1weo h ARG 47 Ca -0.29 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1weo h ARG 47 Cb 0.97 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1weo h ARG 47 CO 0.18 0.12 0.00 -0.35 -1.51 0.00 0.00 179.97 178.41 1weo n PRO 48 N -5.02 0.49 0.00 0.20 -0.04 -1.26 -2.14 135.00 127.22 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 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.24 -0.34 0.00 5.03 -1.08 -3.28 116.97 117.55 1weo h TYR 50 Ca 0.00 -0.18 0.07 0.00 2.58 0.00 0.00 58.73 61.21 1weo h TYR 50 Cb 0.74 -0.01 -0.08 0.00 1.55 0.00 0.00 36.73 38.93 1weo h TYR 50 CO 0.00 1.42 -0.18 0.93 -1.32 0.00 0.00 178.16 179.02 1weo h GLU 51 N -0.62 -0.12 -0.97 1.82 5.08 -1.70 -0.66 114.58 117.42 1weo h GLU 51 Ca -0.25 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1weo h GLU 51 Cb 1.49 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.70 1weo h GLU 51 CO -0.02 -0.08 0.62 -0.92 -1.00 0.00 0.00 179.01 177.61 1weo h TYR 52 N -0.13 1.11 -0.67 4.33 3.20 -1.80 0.12 116.97 123.14 1weo h TYR 52 Ca 0.17 0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.22 1weo h TYR 52 Cb 0.39 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 1weo h TYR 52 CO -0.39 0.53 0.46 1.49 -1.64 0.00 0.00 178.16 178.61 1weo h GLU 53 N 1.05 0.24 0.00 1.82 4.57 -1.18 0.13 114.58 121.21 1weo h GLU 53 Ca 0.44 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.42 1weo h GLU 53 Cb 0.31 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1weo h GLU 53 CO -0.19 0.16 -1.71 0.54 -1.18 0.00 0.00 179.01 176.63 1weo n ARG 54 N -4.43 0.64 0.10 1.92 1.74 -0.20 -1.14 116.66 115.29 1weo n ARG 54 Ca 0.13 0.11 -0.12 0.00 -0.77 0.00 0.00 57.85 57.20 1weo n ARG 54 Cb 0.57 -1.70 -0.08 0.00 -1.02 0.00 0.00 32.46 30.23 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 -0.30 0.00 5.56 1.12 0.77 -3.42 114.38 118.11 1weo h ARG 55 Ca -0.22 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.67 1weo h ARG 55 Cb 1.64 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.67 1weo h ARG 55 CO 0.04 0.07 -0.67 0.39 -3.11 0.00 0.00 179.97 176.69 1weo n GLU 56 N -5.02 2.27 0.00 0.20 -0.58 0.27 -4.93 120.64 112.86 1weo n GLU 56 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1weo n GLU 56 Cb 0.26 -0.84 0.00 0.00 -0.57 0.00 0.00 31.44 30.30 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 1.89 -2.79 0.81 0.62 0.00 -0.20 -4.91 105.19 100.60 1weo n GLY 57 Ca 0.00 -0.95 0.09 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.83 0.40 -3.13 2.61 -2.24 -1.01 -4.79 114.28 105.30 1weo n THR 58 Ca 0.00 -0.70 -0.22 0.00 -2.27 0.00 0.00 64.05 60.86 1weo n THR 58 Cb 0.00 1.01 0.04 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.01 -5.47 -3.95 -0.78 6.02 -0.29 -4.99 117.38 108.91 1weo n GLN 59 Ca 0.13 0.88 -0.15 0.00 -0.01 0.00 0.00 57.00 57.85 1weo n GLN 59 Cb 0.47 -5.73 -0.15 0.00 1.02 0.00 0.00 30.24 25.84 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 -2.85 0.32 0.06 1.08 0.01 -1.26 -3.67 114.94 108.63 1weo s ASN 60 Ca 0.36 -0.03 -0.31 0.00 -0.71 0.00 0.00 52.86 52.17 1weo s ASN 60 Cb -0.16 -0.11 -0.08 0.00 0.41 0.00 0.00 41.25 41.31 1weo s ASN 60 CO 0.44 -0.04 1.71 0.00 -1.51 0.00 0.00 177.10 177.70 1weo n PRO 62 N 5.99 0.49 -0.03 0.00 -0.04 -1.26 0.24 135.00 140.39 1weo n PRO 62 Ca 0.17 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.58 1weo n PRO 62 Cb 0.41 -1.30 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.13 -0.00 0.54 7.27 -1.26 -4.84 117.38 118.42 1weo n GLN 63 Ca 0.07 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.19 1weo n GLN 63 Cb 0.03 -0.89 -0.00 0.00 2.41 0.00 0.00 30.24 31.79 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 -1.31 -5.71 -3.89 0.00 4.01 0.65 -4.88 118.16 107.03 1weo n LYS 65 Ca -0.00 0.73 -0.34 0.00 -0.51 0.00 0.00 58.31 58.18 1weo n LYS 65 Cb 0.01 -5.50 -0.05 0.00 -0.51 0.00 0.00 35.03 28.98 1weo n LYS 65 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1weo s THR 66 N -3.53 5.45 0.14 -0.18 2.01 -1.26 -4.60 115.64 113.67 1weo s THR 66 Ca 0.01 -0.05 -0.34 0.00 0.31 0.00 0.00 61.69 61.62 1weo s THR 66 Cb -0.00 -3.50 -0.16 0.00 0.01 0.00 0.00 72.50 68.84 1weo s THR 66 CO 0.77 0.41 1.21 -2.11 -0.69 0.00 0.00 174.62 174.21 1weo n ARG 67 N 1.23 1.10 -1.45 4.92 1.85 -1.26 -3.71 116.66 119.33 1weo n ARG 67 Ca -0.13 0.39 -0.22 0.00 -1.00 0.00 0.00 57.85 56.89 1weo n ARG 67 Cb 0.53 -1.93 0.15 0.00 -1.05 0.00 0.00 32.46 30.16 1weo n ARG 67 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1weo n TYR 68 N 1.81 -3.94 -3.74 2.89 4.02 -1.24 -5.00 117.16 111.96 1weo n TYR 68 Ca 0.16 -0.90 -0.13 0.00 -0.01 0.00 0.00 57.90 57.02 1weo n TYR 68 Cb 0.22 -0.75 -0.10 0.00 -0.02 0.00 0.00 39.34 38.70 1weo n TYR 68 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 1weo s LYS 69 N -5.11 0.53 -0.19 -0.72 0.00 -1.26 -5.11 119.74 107.88 1weo s LYS 69 Ca 0.56 0.34 -0.30 0.00 0.00 0.00 0.00 55.97 56.56 1weo s LYS 69 Cb -0.02 0.25 -0.07 0.00 0.00 0.00 0.00 37.83 37.99 1weo s LYS 69 CO 0.39 -0.10 2.15 -2.13 0.00 0.00 0.00 175.35 175.66 1weo n ARG 70 N 2.38 1.99 -2.69 1.78 0.63 -1.26 -4.96 116.66 114.53 1weo n ARG 70 Ca -0.16 0.60 -0.21 0.00 -0.92 0.00 0.00 57.85 57.16 1weo n ARG 70 Cb 0.57 -3.03 0.10 0.00 0.45 0.00 0.00 32.46 30.54 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 10.34 0.00 -0.07 6.15 4.77 -1.25 -5.03 117.00 131.91 1weo n LEU 71 Ca 0.29 -2.23 -0.14 0.00 -0.03 0.00 0.00 56.01 53.90 1weo n LEU 71 Cb 0.39 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 1weo n LEU 71 CO 0.69 -0.87 0.49 0.03 -1.33 0.00 0.00 177.39 176.40 1weo h ARG 72 N 0.00 0.67 0.01 3.23 2.47 -1.99 -3.34 114.38 115.43 1weo h ARG 72 Ca -0.30 -0.41 -0.00 0.00 -1.26 0.00 0.00 59.98 58.01 1weo h ARG 72 Cb 1.21 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 1weo h ARG 72 CO 0.36 1.03 -0.01 0.78 0.56 0.00 0.00 179.97 182.69 1weo h GLY 73 N 0.38 -0.02 -5.94 0.04 0.00 -2.00 -3.44 103.07 92.09 1weo h GLY 73 Ca 0.02 0.01 -0.56 0.00 0.00 0.00 0.00 47.33 46.79 1weo h GLY 73 CO 0.09 -0.01 1.12 -1.35 0.00 0.00 0.00 176.54 176.39 1weo s SER 74 N -6.02 6.42 0.44 0.19 1.04 -1.25 -5.00 113.70 109.51 1weo s SER 74 Ca -0.16 1.70 0.00 0.00 0.48 0.00 0.00 55.95 57.96 1weo s SER 74 Cb -0.02 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1weo s SER 74 CO 0.60 -1.21 0.00 -0.81 0.98 0.00 0.00 173.24 172.80 1weo n PRO 75 N 7.58 0.10 -2.92 4.02 -0.04 -1.26 -3.75 135.00 138.73 1weo n PRO 75 Ca 0.19 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.27 1weo n PRO 75 Cb 0.45 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.85 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 -1.33 4.50 0.37 0.54 3.52 -1.26 -4.84 118.95 120.44 1weo s ARG 76 Ca 0.00 1.16 0.04 0.00 -0.13 0.00 0.00 55.73 56.80 1weo s ARG 76 Cb 0.00 -2.94 -0.01 0.00 -1.56 0.00 0.00 34.95 30.43 1weo s ARG 76 CO 0.00 0.39 0.13 1.33 -0.81 0.00 0.00 175.30 176.34 1weo n VAL 77 N 0.86 0.00 -3.97 7.11 0.24 -1.26 -4.40 118.33 116.91 1weo n VAL 77 Ca -0.01 -2.14 -0.31 0.00 -2.04 0.00 0.00 64.34 59.84 1weo n VAL 77 Cb 0.50 0.76 -0.01 0.00 -1.47 0.00 0.00 33.84 33.62 1weo n VAL 77 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1weo n GLU 78 N -0.83 -2.00 0.00 7.34 -0.58 -1.26 -4.01 120.64 119.29 1weo n GLU 78 Ca -0.05 0.32 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1weo n GLU 78 Cb 0.55 -3.99 0.00 0.00 -0.57 0.00 0.00 31.44 27.43 1weo n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1weo n GLY 79 N -2.03 0.27 3.45 0.62 0.00 -1.26 -5.14 105.19 101.10 1weo n GLY 79 Ca -0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.73 -0.54 0.12 1.61 2.15 -1.26 -5.14 116.67 112.89 1weo s ASP 80 Ca 0.00 0.71 -0.12 0.00 0.43 0.00 0.00 52.55 53.57 1weo s ASP 80 Cb 0.00 0.68 0.01 0.00 -0.30 0.00 0.00 42.92 43.32 1weo s ASP 80 CO 0.00 -0.46 0.31 -1.61 -0.17 0.00 0.00 175.17 173.24 1weo s GLU 81 N -0.79 1.02 -0.22 4.34 8.01 -1.26 -4.43 118.70 125.36 1weo s GLU 81 Ca -0.08 -0.89 -0.09 0.00 0.01 0.00 0.00 54.97 53.92 1weo s GLU 81 Cb -0.02 0.41 -0.11 0.00 -4.31 0.00 0.00 34.13 30.10 1weo s GLU 81 CO 0.06 -0.37 -0.27 -0.25 0.01 0.00 0.00 175.26 174.44 1weo n ASP 82 N -0.17 1.76 -4.17 -0.19 8.00 -1.26 -4.91 116.55 115.61 1weo n ASP 82 Ca -0.14 0.19 -0.35 0.00 0.71 0.00 0.00 54.79 55.20 1weo n ASP 82 Cb 0.63 -0.59 -0.13 0.00 -0.02 0.00 0.00 41.12 41.00 1weo n ASP 82 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1weo s GLU 83 N -2.42 2.39 -0.08 -1.24 -1.05 -1.26 -4.98 118.70 110.06 1weo s GLU 83 Ca -0.31 -1.31 -0.02 0.00 -0.15 0.00 0.00 54.97 53.18 1weo s GLU 83 Cb 0.11 -3.22 -0.02 0.00 -0.44 0.00 0.00 34.13 30.56 1weo s GLU 83 CO 0.42 -0.66 2.41 0.39 0.95 0.00 0.00 175.26 178.76 1weo n GLU 84 N 4.62 1.45 -3.13 -4.83 4.71 -1.26 -4.87 120.64 117.33 1weo n GLU 84 Ca -0.12 -0.64 -0.20 0.00 -0.01 0.00 0.00 57.16 56.19 1weo n GLU 84 Cb 0.43 -1.40 0.04 0.00 -1.01 0.00 0.00 31.44 29.51 1weo n GLU 84 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1weo s ASP 85 N 1.58 5.14 -0.09 1.62 2.15 -1.26 -5.11 116.67 120.70 1weo s ASP 85 Ca 0.24 -0.82 -0.12 0.00 0.43 0.00 0.00 52.55 52.28 1weo s ASP 85 Cb 0.14 0.14 -0.05 0.00 -0.30 0.00 0.00 42.92 42.85 1weo s ASP 85 CO -0.01 -1.21 0.29 -0.63 -0.17 0.00 0.00 175.17 173.43 1weo s ILE 86 N -2.62 5.26 0.89 4.11 -1.09 -1.26 -5.06 121.20 121.42 1weo s ILE 86 Ca 0.58 0.56 -0.16 0.00 -2.23 0.00 0.00 60.65 59.40 1weo s ILE 86 Cb -0.06 -3.60 -0.08 0.00 -1.58 0.00 0.00 42.46 37.15 1weo s ILE 86 CO 0.36 0.52 -0.15 0.47 -1.23 0.00 0.00 174.94 174.92 1weo n ASP 87 N 2.47 -3.80 -3.94 3.58 9.92 -1.26 -5.01 116.55 118.53 1weo n ASP 87 Ca -0.15 0.34 -0.17 0.00 -0.53 0.00 0.00 54.79 54.29 1weo n ASP 87 Cb 0.53 -0.98 -0.15 0.00 -0.64 0.00 0.00 41.12 39.88 1weo n ASP 87 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1weo s SER 88 N -1.38 0.65 0.30 -2.24 1.04 -1.26 -5.12 113.70 105.68 1weo s SER 88 Ca 0.51 -0.09 -0.20 0.00 0.48 0.00 0.00 55.95 56.65 1weo s SER 88 Cb -0.25 -0.14 -0.14 0.00 0.10 0.00 0.00 66.02 65.59 1weo s SER 88 CO 0.72 0.03 0.18 0.61 0.98 0.00 0.00 173.24 175.76 1weo n GLY 89 N 3.22 -2.11 3.70 7.32 0.00 -1.26 -4.91 105.19 111.16 1weo n GLY 89 Ca -0.16 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.85 0.89 -0.24 1.61 0.04 -1.26 -5.07 135.00 130.11 1weo s PRO 90 Ca 0.52 0.69 -0.03 0.00 0.04 0.00 0.00 61.00 62.22 1weo s PRO 90 Cb -0.61 -1.78 0.13 0.00 0.04 0.00 0.00 34.50 32.28 1weo s PRO 90 CO 0.52 -2.46 0.38 -1.12 0.04 0.00 0.00 177.00 174.36 1weo s SER 91 N -3.44 0.21 0.24 6.66 0.01 -1.26 -5.03 113.70 111.10 1weo s SER 91 Ca 0.64 0.25 0.04 0.00 1.31 0.00 0.00 55.95 58.19 1weo s SER 91 Cb -0.18 1.13 0.66 0.00 0.21 0.00 0.00 66.02 67.84 1weo s SER 91 CO 0.57 -0.30 1.19 -1.54 0.41 0.00 0.00 173.24 173.57 1weo n SER 92 N 5.37 -0.03 0.00 2.44 3.41 -1.26 -5.32 113.62 118.23 1weo n SER 92 Ca -0.04 1.28 0.00 0.00 -0.26 0.00 0.00 58.87 59.85 1weo n SER 92 Cb 0.50 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1weo n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49