#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1weo n SER 2 N 0.00 -1.52 -3.45 1.61 3.41 -1.26 -5.02 113.62 107.39 1weo n SER 2 Ca 0.00 -1.65 -0.18 0.00 -0.26 0.00 0.00 58.87 56.79 1weo n SER 2 Cb 0.00 2.43 0.08 0.00 -0.26 0.00 0.00 64.21 66.46 1weo n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1weo n SER 3 N -1.21 -2.36 -2.76 4.04 7.64 -1.26 -4.99 113.62 112.72 1weo n SER 3 Ca 0.00 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.23 1weo n SER 3 Cb 0.58 -4.97 0.00 0.00 -1.01 0.00 0.00 64.21 58.81 1weo n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1weo n GLY 4 N -1.21 -2.99 3.04 0.23 0.00 -1.26 -5.08 105.19 97.93 1weo n GLY 4 Ca -0.27 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.72 0.48 0.17 1.61 0.15 -1.26 -5.17 113.70 107.96 1weo s SER 5 Ca 0.00 -0.70 0.01 0.00 0.70 0.00 0.00 55.95 55.96 1weo s SER 5 Cb 0.00 0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 64.39 1weo s SER 5 CO 0.00 -0.39 0.02 -0.44 1.20 0.00 0.00 173.24 173.63 1weo s SER 6 N -2.05 1.01 -0.01 5.45 0.01 -1.26 -5.17 113.70 111.68 1weo s SER 6 Ca -0.06 -1.20 -0.26 0.00 1.31 0.00 0.00 55.95 55.75 1weo s SER 6 Cb -0.03 0.16 0.06 0.00 0.21 0.00 0.00 66.02 66.42 1weo s SER 6 CO -0.04 -0.62 0.58 -0.83 0.41 0.00 0.00 173.24 172.75 1weo s GLY 7 N -3.16 -0.48 0.97 3.44 0.00 -1.26 -5.18 107.32 101.66 1weo s GLY 7 Ca 0.25 0.95 -0.16 0.00 0.00 0.00 0.00 44.72 45.76 1weo s GLY 7 CO 0.04 0.63 0.86 -1.55 0.00 0.00 0.00 173.10 173.09 1weo n PRO 8 N 0.77 -2.70 -1.31 2.90 -0.04 -1.26 -4.77 135.00 128.58 1weo n PRO 8 Ca -0.19 -1.38 -0.52 0.00 -0.04 0.00 0.00 63.50 61.36 1weo n PRO 8 Cb 0.58 -1.29 -0.13 0.00 -0.04 0.00 0.00 33.50 32.62 1weo n PRO 8 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1weo n LYS 9 N -4.14 0.00 -2.27 0.54 4.76 -1.26 -4.85 118.16 110.94 1weo n LYS 9 Ca 0.12 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.20 1weo n LYS 9 Cb 0.47 -1.47 -0.00 0.00 -1.84 0.00 0.00 35.03 32.18 1weo n LYS 9 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1weo s PRO 10 N 6.93 3.55 0.86 1.97 0.04 -1.26 -5.01 135.00 142.07 1weo s PRO 10 Ca 1.23 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 63.85 1weo s PRO 10 Cb -1.39 -2.19 0.11 0.00 0.04 0.00 0.00 34.50 31.07 1weo s PRO 10 CO 0.59 -0.71 1.11 -1.17 0.04 0.00 0.00 177.00 176.86 1weo s LEU 11 N -3.44 2.74 0.38 -3.56 2.96 -1.26 -4.90 118.68 111.60 1weo s LEU 11 Ca 0.69 1.91 -0.17 0.00 -0.22 0.00 0.00 54.13 56.34 1weo s LEU 11 Cb -0.26 -4.40 -0.13 0.00 0.50 0.00 0.00 46.19 41.90 1weo s LEU 11 CO 0.30 -2.65 -0.01 0.29 -1.32 0.00 0.00 176.35 172.96 1weo n LYS 12 N -3.93 0.00 -4.24 1.98 4.01 -1.26 -4.98 118.16 109.74 1weo n LYS 12 Ca 0.10 0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.73 1weo n LYS 12 Cb 0.53 -0.85 -0.14 0.00 -0.51 0.00 0.00 35.03 34.06 1weo n LYS 12 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1weo s ASN 13 N -0.85 0.97 -0.31 4.39 3.84 -1.26 -5.05 114.94 116.67 1weo s ASN 13 Ca 0.50 -0.26 0.15 0.00 0.21 0.00 0.00 52.86 53.45 1weo s ASN 13 Cb -0.49 -0.07 0.47 0.00 -0.55 0.00 0.00 41.25 40.62 1weo s ASN 13 CO 0.55 0.03 1.10 0.18 -2.79 0.00 0.00 177.10 176.17 1weo n LEU 14 N 2.48 2.99 0.19 3.21 4.77 -1.26 -4.89 117.00 124.48 1weo n LEU 14 Ca -0.16 -3.98 -0.14 0.00 -0.03 0.00 0.00 56.01 51.71 1weo n LEU 14 Cb 0.57 0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.67 1weo n LEU 14 CO 0.24 1.62 0.63 -0.78 -1.33 0.00 0.00 177.39 177.77 1weo h ASP 15 N 2.55 -0.39 0.00 -1.43 1.82 -1.99 -3.48 116.42 113.50 1weo h ASP 15 Ca 0.08 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1weo h ASP 15 Cb 1.28 0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.39 1weo h ASP 15 CO 0.51 -0.12 0.00 0.61 -1.61 0.00 0.00 179.24 178.63 1weo n GLY 16 N -0.73 3.56 0.59 -0.78 0.00 -1.26 -4.97 105.19 101.59 1weo n GLY 16 Ca -0.10 -0.51 0.44 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.85 1.61 6.02 -1.26 -4.32 117.38 117.58 1weo n GLN 17 Ca 0.00 0.93 -0.42 0.00 -0.01 0.00 0.00 57.00 57.50 1weo n GLN 17 Cb 0.00 -2.12 -0.03 0.00 1.02 0.00 0.00 30.24 29.11 1weo n GLN 17 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1weo s PHE 18 N -4.61 2.69 0.74 1.08 0.40 -1.26 -3.23 117.98 113.78 1weo s PHE 18 Ca -0.04 0.36 -0.16 0.00 -0.60 0.00 0.00 56.93 56.49 1weo s PHE 18 Cb 0.23 -4.03 -0.00 0.00 0.51 0.00 0.00 43.02 39.73 1weo s PHE 18 CO 0.75 -4.00 0.83 0.00 0.70 0.00 0.00 175.22 173.50 1weo n GLU 20 N -1.60 1.03 0.19 0.00 -0.58 -0.44 -3.36 120.64 115.87 1weo n GLU 20 Ca 0.12 0.05 -0.13 0.00 -0.42 0.00 0.00 57.16 56.77 1weo n GLU 20 Cb 0.50 -1.38 -0.07 0.00 -0.57 0.00 0.00 31.44 29.91 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 0.02 -3.67 2.04 -1.93 -3.36 117.51 110.61 1weo h ILE 21 Ca -0.42 0.00 -0.39 0.00 1.00 0.00 0.00 64.86 65.05 1weo h ILE 21 Cb 1.80 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 1weo h ILE 21 CO -0.02 0.00 -2.34 0.00 0.00 0.00 0.00 178.15 175.79 1weo n GLY 23 N 1.93 3.53 2.63 0.00 0.00 -1.21 -5.08 105.19 106.98 1weo n GLY 23 Ca -0.45 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.25 -4.63 1.61 9.92 -1.26 -3.62 116.55 115.32 1weo n ASP 24 Ca 0.00 0.49 -0.43 0.00 -0.53 0.00 0.00 54.79 54.32 1weo n ASP 24 Cb 0.00 -0.68 -0.02 0.00 -0.64 0.00 0.00 41.12 39.77 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 -0.93 3.89 -0.50 -1.24 0.74 -1.26 -1.09 119.66 119.27 1weo s GLN 25 Ca 0.45 1.12 -0.32 0.00 0.05 0.00 0.00 55.36 56.66 1weo s GLN 25 Cb -0.37 -3.87 -0.12 0.00 1.10 0.00 0.00 33.01 29.74 1weo s GLN 25 CO 0.56 -1.15 2.34 -0.89 -0.55 0.00 0.00 175.29 175.60 1weo n ILE 26 N 6.29 0.09 0.00 -2.34 5.41 -1.20 -4.85 119.36 122.75 1weo n ILE 26 Ca 0.14 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1weo n ILE 26 Cb 0.47 -1.69 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 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 6.42 -1.98 3.70 7.39 0.00 -1.26 -4.84 105.19 114.62 1weo n GLY 27 Ca 0.45 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 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 3.15 0.64 0.99 1.43 -1.26 -3.90 118.68 119.73 1weo s LEU 28 Ca 0.00 -0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 52.11 1weo s LEU 28 Cb 0.00 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.67 1weo s LEU 28 CO 0.00 -0.33 1.00 0.42 0.23 0.00 0.00 176.35 177.67 1weo s THR 29 N -2.49 3.63 0.33 5.49 -4.23 -0.01 -4.82 115.64 113.55 1weo s THR 29 Ca 0.37 0.26 0.20 0.00 -1.18 0.00 0.00 61.69 61.34 1weo s THR 29 Cb -0.01 -3.49 0.32 0.00 1.34 0.00 0.00 72.50 70.67 1weo s THR 29 CO 0.22 -0.57 1.39 0.52 -0.54 0.00 0.00 174.62 175.64 1weo n VAL 30 N -2.79 -0.36 -0.03 2.29 0.31 -1.26 -0.06 118.33 116.44 1weo n VAL 30 Ca 0.06 1.77 -0.09 0.00 -0.01 0.00 0.00 64.34 66.07 1weo n VAL 30 Cb 0.57 -2.89 -0.08 0.00 -0.91 0.00 0.00 33.84 30.53 1weo n VAL 30 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1weo h GLU 31 N 0.00 -0.06 0.00 5.55 4.39 -2.03 -3.49 114.58 118.95 1weo h GLU 31 Ca 0.75 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.46 1weo h GLU 31 Cb 2.04 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.70 1weo h GLU 31 CO -0.65 0.51 0.00 0.41 -1.16 0.00 0.00 179.01 178.12 1weo n GLY 32 N 1.35 0.71 3.69 -3.84 0.00 0.92 -5.14 105.19 102.87 1weo n GLY 32 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1weo n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1weo n ASP 33 N 0.00 1.09 -4.70 1.61 9.92 -1.26 -4.18 116.55 119.03 1weo n ASP 33 Ca 0.00 0.60 -0.42 0.00 -0.53 0.00 0.00 54.79 54.44 1weo n ASP 33 Cb 0.00 -1.51 -0.03 0.00 -0.64 0.00 0.00 41.12 38.94 1weo n ASP 33 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1weo s LEU 34 N -5.52 4.37 -0.90 0.64 1.98 -1.26 -0.83 118.68 117.16 1weo s LEU 34 Ca 0.74 2.63 -0.25 0.00 -2.89 0.00 0.00 54.13 54.36 1weo s LEU 34 Cb -0.30 -3.58 -0.08 0.00 0.66 0.00 0.00 46.19 42.89 1weo s LEU 34 CO 0.50 -0.90 2.07 0.12 -1.89 0.00 0.00 176.35 176.26 1weo s PHE 35 N 1.95 1.63 -1.19 5.38 5.36 -1.25 -4.84 117.98 125.02 1weo s PHE 35 Ca 0.74 1.03 -0.19 0.00 -0.96 0.00 0.00 56.93 57.54 1weo s PHE 35 Cb -0.43 -3.86 0.08 0.00 -0.34 0.00 0.00 43.02 38.46 1weo s PHE 35 CO 0.33 -1.62 1.59 0.08 -1.46 0.00 0.00 175.22 174.14 1weo s VAL 36 N 11.62 4.17 0.25 3.12 1.01 -1.26 -4.80 120.40 134.51 1weo s VAL 36 Ca 0.76 -1.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 1weo s VAL 36 Cb -0.08 -5.11 0.23 0.00 0.00 0.00 0.00 36.38 31.42 1weo s VAL 36 CO 0.03 -1.94 1.72 0.00 0.00 0.00 0.00 175.10 174.91 1weo h ALA 37 N 8.27 1.12 -3.82 5.51 0.00 -1.81 -3.41 119.26 125.12 1weo h ALA 37 Ca 0.35 0.13 -0.41 0.00 0.00 0.00 0.00 54.91 54.97 1weo h ALA 37 Cb 0.92 0.10 -0.26 0.00 0.00 0.00 0.00 17.79 18.55 1weo h ALA 37 CO 1.41 -0.23 -0.78 0.00 0.00 0.00 0.00 179.25 179.65 1weo n ASN 39 N 2.25 3.53 -0.03 0.00 2.85 -1.26 -3.77 115.26 118.83 1weo n ASN 39 Ca -0.17 -0.03 -0.14 0.00 -0.11 0.00 0.00 54.58 54.14 1weo n ASN 39 Cb 0.55 0.05 -0.08 0.00 1.24 0.00 0.00 39.78 41.55 1weo n ASN 39 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1weo h GLU 40 N 0.00 -0.49 0.00 1.20 4.57 -1.98 -3.31 114.58 114.56 1weo h GLU 40 Ca -0.15 0.03 -0.35 0.00 -1.18 0.00 0.00 59.36 57.72 1weo h GLU 40 Cb 1.25 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.89 1weo h GLU 40 CO -0.02 -0.33 -2.31 0.00 -1.18 0.00 0.00 179.01 175.17 1weo n GLY 42 N 2.40 1.43 3.68 0.00 0.00 -1.25 -5.06 105.19 106.40 1weo n GLY 42 Ca -0.41 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 2.60 -0.44 1.61 5.36 -1.26 -4.93 117.98 118.92 1weo s PHE 43 Ca 0.00 0.59 -0.28 0.00 -0.96 0.00 0.00 56.93 56.28 1weo s PHE 43 Cb 0.00 -3.78 -0.01 0.00 -0.34 0.00 0.00 43.02 38.88 1weo s PHE 43 CO 0.00 -3.04 1.76 -1.25 -1.46 0.00 0.00 175.22 171.23 1weo s PRO 44 N 2.73 3.12 -0.10 10.12 0.04 -1.26 -3.98 135.00 145.67 1weo s PRO 44 Ca 0.68 1.06 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 1weo s PRO 44 Cb -0.34 -4.24 0.04 0.00 0.04 0.00 0.00 34.50 30.01 1weo s PRO 44 CO 0.28 -2.12 0.06 0.00 0.04 0.00 0.00 177.00 175.27 1weo s ALA 45 N 7.42 0.41 1.43 8.56 0.00 -1.26 -1.33 121.76 136.99 1weo s ALA 45 Ca 0.72 -0.10 -0.22 0.00 0.00 0.00 0.00 51.96 52.37 1weo s ALA 45 Cb -0.18 -0.83 0.34 0.00 0.00 0.00 0.00 23.12 22.45 1weo s ALA 45 CO 0.29 -0.79 0.76 0.00 0.00 0.00 0.00 175.76 176.02 1weo h ARG 47 N 0.00 -0.17 -0.35 0.00 2.43 -1.96 -2.29 114.38 112.05 1weo h ARG 47 Ca -0.35 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1weo h ARG 47 Cb 1.17 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1weo h ARG 47 CO 0.21 0.21 0.00 -0.35 -1.51 0.00 0.00 179.97 178.53 1weo n PRO 48 N -4.98 0.49 0.00 0.20 -0.04 -1.26 -2.47 135.00 126.93 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 0.24 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.19 -0.04 0.00 5.03 -1.09 -2.68 116.97 118.38 1weo h TYR 50 Ca 0.00 -0.11 0.03 0.00 2.58 0.00 0.00 58.73 61.23 1weo h TYR 50 Cb 0.70 -0.02 -0.04 0.00 1.55 0.00 0.00 36.73 38.92 1weo h TYR 50 CO 0.00 0.94 -0.16 0.93 -1.32 0.00 0.00 178.16 178.55 1weo h GLU 51 N -0.61 -0.23 -0.33 1.82 3.07 -1.78 -2.59 114.58 113.94 1weo h GLU 51 Ca -0.03 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1weo h GLU 51 Cb 1.00 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.93 1weo h GLU 51 CO 0.04 -0.15 0.16 -0.92 -1.40 0.00 0.00 179.01 176.74 1weo h TYR 52 N -0.24 0.30 -1.08 4.33 3.20 -1.81 0.96 116.97 122.63 1weo h TYR 52 Ca 0.07 0.01 0.31 0.00 3.14 0.00 0.00 58.73 62.26 1weo h TYR 52 Cb 0.33 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1weo h TYR 52 CO -0.23 0.16 0.86 1.49 -1.64 0.00 0.00 178.16 178.80 1weo h GLU 53 N 0.33 0.00 0.01 1.82 4.81 -1.10 0.35 114.58 120.80 1weo h GLU 53 Ca 0.14 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.02 1weo h GLU 53 Cb 0.05 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 1weo h GLU 53 CO -0.10 0.00 -2.15 0.54 -0.73 0.00 0.00 179.01 176.58 1weo n ARG 54 N -3.97 0.67 0.06 1.92 1.74 -0.56 -0.09 116.66 116.45 1weo n ARG 54 Ca 0.23 0.13 -0.03 0.00 -0.77 0.00 0.00 57.85 57.42 1weo n ARG 54 Cb 1.21 -1.63 -0.01 0.00 -1.02 0.00 0.00 32.46 31.02 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 0.01 -0.16 0.00 5.56 1.12 0.20 -3.41 114.38 117.70 1weo h ARG 55 Ca -0.46 0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 58.34 1weo h ARG 55 Cb 2.11 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 32.09 1weo h ARG 55 CO 0.04 -0.11 -1.79 0.39 -3.11 0.00 0.00 179.97 175.39 1weo n GLU 56 N -2.66 0.82 0.00 0.20 1.02 0.02 -5.00 120.64 115.05 1weo n GLU 56 Ca -0.02 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1weo n GLU 56 Cb 0.07 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1weo n GLU 56 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1weo n GLY 57 N 1.77 -3.35 0.38 0.62 0.00 -0.10 -4.93 105.19 99.59 1weo n GLY 57 Ca -0.09 -1.13 0.10 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.71 0.00 -2.72 2.61 -2.24 -0.75 -4.79 114.28 105.68 1weo n THR 58 Ca 0.00 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.36 1weo n THR 58 Cb 0.00 1.20 0.02 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.24 -3.13 -3.67 -0.78 6.02 0.88 -5.00 117.38 111.46 1weo n GLN 59 Ca 0.08 0.65 -0.15 0.00 -0.01 0.00 0.00 57.00 57.56 1weo n GLN 59 Cb 0.40 -4.96 -0.15 0.00 1.02 0.00 0.00 30.24 26.56 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 -2.73 0.55 -0.20 1.08 0.01 -1.26 -4.38 114.94 108.01 1weo s ASN 60 Ca 0.18 0.43 -0.41 0.00 -0.71 0.00 0.00 52.86 52.36 1weo s ASN 60 Cb -0.08 0.43 -0.17 0.00 0.41 0.00 0.00 41.25 41.84 1weo s ASN 60 CO 0.23 -0.24 1.54 0.00 -1.51 0.00 0.00 177.10 177.12 1weo n PRO 62 N 4.00 0.49 -0.05 0.00 -0.04 -1.26 0.24 135.00 138.37 1weo n PRO 62 Ca 0.25 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.61 1weo n PRO 62 Cb 0.10 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.13 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 -0.89 0.25 -0.00 0.54 7.27 -1.26 -4.83 117.38 118.46 1weo n GLN 63 Ca 0.09 0.08 0.01 0.00 0.07 0.00 0.00 57.00 57.26 1weo n GLN 63 Cb 0.04 -1.05 -0.03 0.00 2.41 0.00 0.00 30.24 31.62 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 -1.71 -6.14 -3.09 0.00 4.01 0.66 -4.91 118.16 106.98 1weo n LYS 65 Ca -0.01 0.84 -0.25 0.00 -0.51 0.00 0.00 58.31 58.37 1weo n LYS 65 Cb 0.19 -5.78 -0.01 0.00 -0.51 0.00 0.00 35.03 28.91 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 -3.24 5.02 0.22 -0.18 2.01 -1.26 -4.64 115.64 113.58 1weo s THR 66 Ca 0.45 -0.18 -0.32 0.00 0.31 0.00 0.00 61.69 61.95 1weo s THR 66 Cb -0.20 -3.86 -0.14 0.00 0.01 0.00 0.00 72.50 68.32 1weo s THR 66 CO 0.55 -0.66 1.42 -2.11 -0.69 0.00 0.00 174.62 173.13 1weo n ARG 67 N -1.92 1.99 -2.44 4.92 1.85 -1.26 -3.93 116.66 115.87 1weo n ARG 67 Ca -0.03 0.71 -0.24 0.00 -1.00 0.00 0.00 57.85 57.29 1weo n ARG 67 Cb 0.56 -2.38 0.10 0.00 -1.05 0.00 0.00 32.46 29.69 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 0.09 2.10 -0.14 2.89 2.02 -1.26 -5.01 117.35 118.04 1weo s TYR 68 Ca 0.70 -0.01 -0.10 0.00 -0.37 0.00 0.00 57.07 57.29 1weo s TYR 68 Cb -0.67 -3.12 0.04 0.00 -0.40 0.00 0.00 41.96 37.81 1weo s TYR 68 CO 0.48 -1.60 0.35 -1.59 -1.57 0.00 0.00 175.55 171.62 1weo s LYS 69 N -5.18 0.37 0.47 -0.62 0.00 -1.26 -5.14 119.74 108.38 1weo s LYS 69 Ca 0.64 0.60 -0.20 0.00 0.00 0.00 0.00 55.97 57.01 1weo s LYS 69 Cb -0.07 0.07 -0.14 0.00 0.00 0.00 0.00 37.83 37.69 1weo s LYS 69 CO 0.44 -0.11 0.15 0.54 0.00 0.00 0.00 175.35 176.38 1weo n ARG 70 N 3.58 0.17 -3.14 1.78 1.74 -1.26 -5.00 116.66 114.54 1weo n ARG 70 Ca -0.19 0.07 -0.12 0.00 -0.77 0.00 0.00 57.85 56.84 1weo n ARG 70 Cb 0.56 -1.20 -0.03 0.00 -1.02 0.00 0.00 32.46 30.77 1weo n ARG 70 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1weo n LEU 71 N 1.92 0.00 -0.31 0.55 4.77 -1.12 -4.95 117.00 117.86 1weo n LEU 71 Ca 0.10 -1.45 0.15 0.00 -0.03 0.00 0.00 56.01 54.78 1weo n LEU 71 Cb 0.44 0.42 0.39 0.00 -2.33 0.00 0.00 43.42 42.34 1weo n LEU 71 CO 0.54 -0.22 1.21 0.08 -1.33 0.00 0.00 177.39 177.67 1weo h ARG 72 N 0.00 0.62 -0.63 3.23 -0.00 -2.03 -2.63 114.38 112.94 1weo h ARG 72 Ca -0.16 -0.04 -0.41 0.00 -0.00 0.00 0.00 59.98 59.38 1weo h ARG 72 Cb 0.57 -0.14 -0.42 0.00 -0.00 0.00 0.00 29.97 29.98 1weo h ARG 72 CO 0.25 0.41 -0.96 0.41 -0.00 0.00 0.00 179.97 180.08 1weo n GLY 73 N -1.41 4.26 2.63 0.08 0.00 -1.26 -4.97 105.19 104.51 1weo n GLY 73 Ca 0.21 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 1weo n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1weo s SER 74 N -3.68 3.62 0.82 1.61 0.01 -0.99 -4.86 113.70 110.22 1weo s SER 74 Ca 0.40 -1.88 -0.11 0.00 1.31 0.00 0.00 55.95 55.67 1weo s SER 74 Cb 0.37 -0.69 0.08 0.00 0.21 0.00 0.00 66.02 66.00 1weo s SER 74 CO -0.00 -0.37 1.09 -2.16 0.41 0.00 0.00 173.24 172.21 1weo s PRO 75 N 1.35 1.90 0.59 12.44 0.04 -1.26 -2.81 135.00 147.25 1weo s PRO 75 Ca 0.13 1.05 -0.20 0.00 0.04 0.00 0.00 61.00 62.02 1weo s PRO 75 Cb -0.20 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1weo s PRO 75 CO -0.17 -1.86 1.33 0.50 0.04 0.00 0.00 177.00 176.84 1weo s ARG 76 N -4.91 2.92 0.43 4.56 3.52 -1.26 -4.93 118.95 119.27 1weo s ARG 76 Ca 0.62 2.15 0.04 0.00 -0.13 0.00 0.00 55.73 58.41 1weo s ARG 76 Cb -0.17 -2.09 -0.02 0.00 -1.56 0.00 0.00 34.95 31.11 1weo s ARG 76 CO 0.56 -1.34 0.14 0.14 -0.81 0.00 0.00 175.30 174.00 1weo s VAL 77 N -1.35 0.51 -0.93 7.11 -7.23 -1.26 -4.28 120.40 112.97 1weo s VAL 77 Ca 0.76 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.90 1weo s VAL 77 Cb -0.39 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 1weo s VAL 77 CO 0.44 0.00 0.80 -0.62 -0.31 0.00 0.00 175.10 175.41 1weo n GLU 78 N -0.96 -3.71 0.00 4.82 1.02 -1.26 -4.12 120.64 116.43 1weo n GLU 78 Ca -0.07 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 1weo n GLU 78 Cb 0.65 -5.19 0.00 0.00 -0.02 0.00 0.00 31.44 26.87 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 -1.19 1.42 2.92 0.62 0.00 -1.26 -5.11 105.19 102.58 1weo n GLY 79 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 -0.05 -0.58 1.61 1.11 -1.26 -4.83 116.67 110.66 1weo s ASP 80 Ca 0.00 0.12 0.00 0.00 0.18 0.00 0.00 52.55 52.85 1weo s ASP 80 Cb 0.00 0.11 0.00 0.00 1.07 0.00 0.00 42.92 44.10 1weo s ASP 80 CO 0.00 -0.04 0.00 1.21 1.18 0.00 0.00 175.17 177.52 1weo n GLU 81 N 3.20 -2.18 -0.05 8.23 2.13 -1.26 -4.30 120.64 126.41 1weo n GLU 81 Ca -0.14 0.33 -0.06 0.00 0.66 0.00 0.00 57.16 57.95 1weo n GLU 81 Cb 0.58 -4.76 -0.06 0.00 0.27 0.00 0.00 31.44 27.48 1weo n GLU 81 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1weo h ASP 82 N 0.00 -0.01 -1.74 4.31 3.32 -1.88 -3.45 116.42 116.97 1weo h ASP 82 Ca -0.15 -0.42 -0.68 0.00 0.02 0.00 0.00 57.03 55.80 1weo h ASP 82 Cb 0.91 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.51 1weo h ASP 82 CO 0.18 0.70 0.65 1.21 -1.72 0.00 0.00 179.24 180.26 1weo n GLU 83 N -4.72 1.33 -3.88 3.56 2.13 -1.26 -4.97 120.64 112.84 1weo n GLU 83 Ca -0.04 0.48 -0.11 0.00 0.66 0.00 0.00 57.16 58.15 1weo n GLU 83 Cb 0.21 -2.16 -0.11 0.00 0.27 0.00 0.00 31.44 29.64 1weo n GLU 83 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1weo s GLU 84 N 1.52 0.30 -0.69 5.31 2.12 -1.26 -5.09 118.70 120.92 1weo s GLU 84 Ca 0.88 -0.22 -0.26 0.00 0.36 0.00 0.00 54.97 55.73 1weo s GLU 84 Cb -0.94 0.13 -0.06 0.00 0.26 0.00 0.00 34.13 33.52 1weo s GLU 84 CO 0.51 -0.06 2.10 -0.51 -0.54 0.00 0.00 175.26 176.76 1weo s ASP 85 N -0.82 4.81 -0.25 -1.70 1.01 -1.26 -4.88 116.67 113.58 1weo s ASP 85 Ca -0.09 0.21 -0.43 0.00 0.71 0.00 0.00 52.55 52.95 1weo s ASP 85 Cb -0.05 -2.53 -0.20 0.00 1.01 0.00 0.00 42.92 41.14 1weo s ASP 85 CO 0.00 -2.84 1.35 -0.38 0.21 0.00 0.00 175.17 173.51 1weo n ILE 86 N 7.83 0.01 -3.54 0.77 2.08 -1.26 -4.94 119.36 120.30 1weo n ILE 86 Ca 0.34 -0.00 -0.22 0.00 0.56 0.00 0.00 62.75 63.42 1weo n ILE 86 Cb 0.50 -0.28 -0.01 0.00 -0.75 0.00 0.00 39.64 39.10 1weo n ILE 86 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1weo s ASP 87 N 1.54 4.97 0.14 4.38 2.15 -1.26 -5.03 116.67 123.56 1weo s ASP 87 Ca 0.98 -0.89 -0.17 0.00 0.43 0.00 0.00 52.55 52.89 1weo s ASP 87 Cb -1.37 -0.14 0.02 0.00 -0.30 0.00 0.00 42.92 41.12 1weo s ASP 87 CO 0.69 -0.90 1.75 -1.28 -0.17 0.00 0.00 175.17 175.26 1weo h SER 88 N 0.79 0.12 0.00 -0.34 0.87 -2.06 -3.48 113.55 109.44 1weo h SER 88 Ca -0.38 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1weo h SER 88 Cb 1.28 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1weo h SER 88 CO 0.54 0.10 0.00 0.61 -0.53 0.00 0.00 176.83 177.55 1weo n GLY 89 N -1.20 2.60 3.72 5.77 0.00 -1.26 -5.07 105.19 109.74 1weo n GLY 89 Ca -0.00 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.54 4.35 -0.89 1.61 0.04 -1.26 -4.96 135.00 130.34 1weo s PRO 90 Ca 0.00 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 1weo s PRO 90 Cb 0.00 -3.24 0.10 0.00 0.04 0.00 0.00 34.50 31.40 1weo s PRO 90 CO 0.00 -0.37 1.16 -1.12 0.04 0.00 0.00 177.00 176.70 1weo s SER 91 N 0.90 6.51 0.07 6.66 0.01 -1.26 -4.64 113.70 121.95 1weo s SER 91 Ca 0.62 -1.70 0.00 0.00 1.31 0.00 0.00 55.95 56.18 1weo s SER 91 Cb -0.36 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.43 1weo s SER 91 CO 0.32 -1.23 0.00 -0.24 0.41 0.00 0.00 173.24 172.50 1weo n SER 92 N 7.25 0.33 0.00 2.44 2.88 -1.26 -5.36 113.62 119.90 1weo n SER 92 Ca 0.20 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1weo n SER 92 Cb 0.49 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1weo n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42