#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfs n SER 2 N 0.00 -6.56 -2.21 1.61 7.64 -1.26 -5.05 113.62 107.79 1wfs n SER 2 Ca 0.00 1.04 -0.02 0.00 1.01 0.00 0.00 58.87 60.90 1wfs n SER 2 Cb 0.00 -3.58 0.05 0.00 -1.01 0.00 0.00 64.21 59.67 1wfs n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfs n SER 3 N 1.15 -0.87 -1.28 6.43 2.88 -1.26 -5.16 113.62 115.51 1wfs n SER 3 Ca 0.00 -1.66 0.00 0.00 -1.33 0.00 0.00 58.87 55.88 1wfs n SER 3 Cb 0.00 0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1wfs n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfs n GLY 4 N -0.67 1.46 3.55 0.46 0.00 -1.26 -5.14 105.19 103.59 1wfs n GLY 4 Ca -0.11 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 1wfs n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfs s SER 5 N -1.00 -0.68 0.20 1.61 0.15 -1.26 -5.18 113.70 107.54 1wfs s SER 5 Ca 0.00 1.31 0.02 0.00 0.70 0.00 0.00 55.95 57.98 1wfs s SER 5 Cb 0.00 1.32 -0.05 0.00 -1.71 0.00 0.00 66.02 65.58 1wfs s SER 5 CO 0.00 -0.22 0.02 -0.94 1.20 0.00 0.00 173.24 173.29 1wfs s SER 6 N 0.42 1.37 0.00 5.45 1.04 -1.26 -5.10 113.70 115.62 1wfs s SER 6 Ca -0.01 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1wfs s SER 6 Cb -0.05 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1wfs s SER 6 CO -0.00 -0.59 0.39 0.61 0.98 0.00 0.00 173.24 174.63 1wfs n GLY 7 N -0.33 -2.88 3.76 7.32 0.00 -1.26 -4.60 105.19 107.20 1wfs n GLY 7 Ca -0.05 0.45 -0.36 0.00 0.00 0.00 0.00 46.02 46.07 1wfs n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfs s SER 8 N -2.73 5.40 -0.44 1.61 1.04 -1.26 -5.02 113.70 112.31 1wfs s SER 8 Ca 0.00 2.31 0.03 0.00 0.48 0.00 0.00 55.95 58.77 1wfs s SER 8 Cb 0.00 -2.59 0.16 0.00 0.10 0.00 0.00 66.02 63.69 1wfs s SER 8 CO 0.00 -1.45 0.32 -0.62 0.98 0.00 0.00 173.24 172.47 1wfs s ASP 9 N -1.65 2.40 0.09 7.02 2.15 -1.26 -5.11 116.67 120.31 1wfs s ASP 9 Ca 0.76 -2.92 0.09 0.00 0.43 0.00 0.00 52.55 50.91 1wfs s ASP 9 Cb -0.28 -0.63 -0.04 0.00 -0.30 0.00 0.00 42.92 41.67 1wfs s ASP 9 CO 0.31 -0.20 -0.22 -0.94 -0.17 0.00 0.00 175.17 173.94 1wfs s SER 10 N 0.14 3.56 0.33 -0.34 1.04 -1.26 -5.14 113.70 112.02 1wfs s SER 10 Ca 0.27 -0.60 0.05 0.00 0.48 0.00 0.00 55.95 56.15 1wfs s SER 10 Cb -0.06 -0.40 -0.03 0.00 0.10 0.00 0.00 66.02 65.62 1wfs s SER 10 CO -0.13 0.21 0.21 -0.76 0.98 0.00 0.00 173.24 173.75 1wfs s LEU 11 N -1.82 1.72 -0.47 2.42 1.43 -1.26 -5.05 118.68 115.66 1wfs s LEU 11 Ca 0.15 -1.66 -0.02 0.00 -1.03 0.00 0.00 54.13 51.57 1wfs s LEU 11 Cb -0.10 0.32 0.24 0.00 0.03 0.00 0.00 46.19 46.68 1wfs s LEU 11 CO 0.06 -0.97 2.20 0.55 0.23 0.00 0.00 176.35 178.42 1wfs n VAL 12 N -0.64 3.16 -1.05 -1.59 3.14 -1.26 -5.00 118.33 115.09 1wfs n VAL 12 Ca 0.03 -2.46 -0.34 0.00 -2.96 0.00 0.00 64.34 58.61 1wfs n VAL 12 Cb 0.64 -1.35 0.02 0.00 -1.06 0.00 0.00 33.84 32.08 1wfs n VAL 12 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1wfs n VAL 13 N 0.12 0.00 -4.34 1.55 3.14 -1.26 -4.80 118.33 112.74 1wfs n VAL 13 Ca 0.44 -0.44 -0.17 0.00 -2.96 0.00 0.00 64.34 61.21 1wfs n VAL 13 Cb 0.56 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.29 1wfs n VAL 13 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wfs s GLU 15 N -3.05 2.62 -0.75 0.00 -1.05 -1.17 -4.86 118.70 110.45 1wfs s GLU 15 Ca 0.14 -0.98 -0.25 0.00 -0.15 0.00 0.00 54.97 53.73 1wfs s GLU 15 Cb 0.01 -2.49 0.05 0.00 -0.44 0.00 0.00 34.13 31.25 1wfs s GLU 15 CO 0.10 0.48 1.20 0.54 0.95 0.00 0.00 175.26 178.52 1wfs s VAL 16 N -1.70 3.95 0.15 1.83 0.11 -1.26 -0.77 120.40 122.71 1wfs s VAL 16 Ca 0.29 0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 59.17 1wfs s VAL 16 Cb -0.10 -4.86 -0.12 0.00 -1.53 0.00 0.00 36.38 29.78 1wfs s VAL 16 CO 0.20 -1.74 0.33 -0.67 -3.33 0.00 0.00 175.10 169.90 1wfs n ASP 17 N 8.75 -0.97 0.04 3.54 -0.08 -0.95 -4.61 116.55 122.28 1wfs n ASP 17 Ca 0.04 0.75 -0.05 0.00 -1.51 0.00 0.00 54.79 54.02 1wfs n ASP 17 Cb 0.48 -0.65 0.14 0.00 2.34 0.00 0.00 41.12 43.43 1wfs n ASP 17 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1wfs h PRO 18 N 0.64 0.41 0.00 -0.67 0.13 -1.93 -0.28 132.00 130.29 1wfs h PRO 18 Ca -0.20 -0.22 -0.06 0.00 -0.87 0.00 0.00 66.00 64.65 1wfs h PRO 18 Cb 0.99 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1wfs h PRO 18 CO 0.38 0.78 -0.29 1.05 -0.23 0.00 0.00 178.00 179.70 1wfs h GLU 19 N 0.33 0.00 0.11 0.86 -0.00 -1.95 -3.20 114.58 110.73 1wfs h GLU 19 Ca 0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 59.36 59.04 1wfs h GLU 19 Cb 0.93 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.66 1wfs h GLU 19 CO 0.08 0.29 -1.87 1.25 -0.00 0.00 0.00 179.01 178.76 1wfs h LEU 20 N 0.00 0.37 -0.94 3.06 6.46 -1.83 -3.35 115.31 119.08 1wfs h LEU 20 Ca -0.00 -0.89 0.21 0.00 -0.12 0.00 0.00 57.88 57.07 1wfs h LEU 20 Cb 0.74 -0.12 -0.18 0.00 -0.73 0.00 0.00 40.66 40.37 1wfs h LEU 20 CO 0.04 1.80 -0.16 0.50 -0.62 0.00 0.00 178.44 180.00 1wfs h LYS 21 N -0.08 0.01 -0.33 1.25 3.64 -1.04 0.41 116.57 120.42 1wfs h LYS 21 Ca -0.41 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.96 1wfs h LYS 21 Cb 1.93 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.74 1wfs h LYS 21 CO 0.05 0.01 0.16 0.93 -2.27 0.00 0.00 179.45 178.33 1wfs h GLU 22 N 0.01 0.47 -0.77 1.90 5.08 -1.74 -2.63 114.58 116.90 1wfs h GLU 22 Ca 0.48 -0.07 0.18 0.00 -1.00 0.00 0.00 59.36 58.95 1wfs h GLU 22 Cb 0.81 -0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.86 1wfs h GLU 22 CO -0.94 0.43 0.18 1.15 -1.00 0.00 0.00 179.01 178.82 1wfs h THR 23 N 0.40 0.46 0.21 1.13 2.02 -0.35 0.23 112.91 117.01 1wfs h THR 23 Ca 0.11 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1wfs h THR 23 Cb 0.11 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1wfs h THR 23 CO -0.02 0.04 -0.10 -0.07 0.37 0.00 0.00 175.52 175.75 1wfs h LEU 24 N 0.24 -0.24 -1.75 2.58 3.38 -1.14 0.35 115.31 118.74 1wfs h LEU 24 Ca 0.44 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.37 1wfs h LEU 24 Cb 0.79 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1wfs h LEU 24 CO -0.55 -0.01 0.33 -0.09 0.09 0.00 0.00 178.44 178.20 1wfs h ARG 25 N -0.46 0.28 0.22 1.13 2.43 -0.91 -1.60 114.38 115.47 1wfs h ARG 25 Ca -0.03 -0.02 -0.31 0.00 -0.81 0.00 0.00 59.98 58.81 1wfs h ARG 25 Cb 0.35 -0.06 0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1wfs h ARG 25 CO 0.05 0.18 -1.36 0.87 -1.51 0.00 0.00 179.97 178.20 1wfs h LYS 26 N 0.29 0.53 -0.61 0.20 1.79 -0.30 -3.08 116.57 115.39 1wfs h LYS 26 Ca 0.22 -0.87 0.04 0.00 -2.18 0.00 0.00 60.65 57.86 1wfs h LYS 26 Cb 0.49 0.32 -0.03 0.00 -1.58 0.00 0.00 32.23 31.43 1wfs h LYS 26 CO -0.05 1.41 0.40 0.35 -1.08 0.00 0.00 179.45 180.49 1wfs h PHE 27 N 0.10 0.67 0.00 -1.35 3.57 0.54 1.93 116.94 122.41 1wfs h PHE 27 Ca -0.23 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.15 1wfs h PHE 27 Cb 2.07 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 40.57 1wfs h PHE 27 CO 0.14 0.38 -0.62 0.00 -2.23 0.00 0.00 178.31 175.98 1wfs h ARG 28 N 0.68 0.00 -0.64 1.11 3.08 -1.39 -3.29 114.38 113.93 1wfs h ARG 28 Ca 0.25 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.87 1wfs h ARG 28 Cb 0.14 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 29.77 1wfs h ARG 28 CO -0.07 0.62 -0.94 1.19 -1.07 0.00 0.00 179.97 179.70 1wfs n PHE 29 N -3.53 2.16 -1.74 3.04 3.72 -0.36 -5.08 117.46 115.66 1wfs n PHE 29 Ca -0.00 -2.21 -0.29 0.00 -0.05 0.00 0.00 57.45 54.90 1wfs n PHE 29 Cb 0.68 -0.29 0.11 0.00 -0.94 0.00 0.00 39.48 39.03 1wfs n PHE 29 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1wfs s ARG 30 N -3.68 1.64 -0.56 -1.08 1.70 0.64 -4.89 118.95 112.73 1wfs s ARG 30 Ca 0.41 0.21 -0.00 0.00 -0.47 0.00 0.00 55.73 55.88 1wfs s ARG 30 Cb 0.38 -1.90 0.49 0.00 -0.57 0.00 0.00 34.95 33.34 1wfs s ARG 30 CO 0.00 -1.84 1.98 1.63 -1.08 0.00 0.00 175.30 176.00 1wfs n LYS 31 N -3.50 2.44 -3.15 3.89 4.01 -1.26 -4.95 118.16 115.64 1wfs n LYS 31 Ca 0.07 -2.98 -0.20 0.00 -0.51 0.00 0.00 58.31 54.70 1wfs n LYS 31 Cb 0.60 -2.17 0.02 0.00 -0.51 0.00 0.00 35.03 32.97 1wfs n LYS 31 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1wfs n GLU 32 N -0.85 0.78 -0.60 1.97 -0.58 -1.26 -5.06 120.64 115.05 1wfs n GLU 32 Ca 0.58 -2.72 -0.01 0.00 -0.42 0.00 0.00 57.16 54.59 1wfs n GLU 32 Cb 0.96 0.15 -0.01 0.00 -0.57 0.00 0.00 31.44 31.97 1wfs n GLU 32 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1wfs n THR 33 N -1.70 0.00 -4.58 2.62 -2.24 -1.26 -5.13 114.28 101.98 1wfs n THR 33 Ca 0.03 -0.03 -0.27 0.00 -2.27 0.00 0.00 64.05 61.50 1wfs n THR 33 Cb 0.50 0.18 -0.08 0.00 -2.10 0.00 0.00 70.33 68.83 1wfs n THR 33 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wfs s ASN 34 N -0.35 3.17 -0.03 3.42 4.22 -1.26 -5.08 114.94 119.03 1wfs s ASN 34 Ca 0.01 -1.64 -0.27 0.00 -2.14 0.00 0.00 52.86 48.83 1wfs s ASN 34 Cb 0.01 0.44 -0.03 0.00 1.28 0.00 0.00 41.25 42.95 1wfs s ASN 34 CO -0.01 -0.87 0.84 0.20 -2.04 0.00 0.00 177.10 175.22 1wfs s ASN 35 N -3.68 7.18 0.06 3.54 0.01 -1.26 -4.89 114.94 115.89 1wfs s ASN 35 Ca 0.20 1.42 -0.02 0.00 -0.71 0.00 0.00 52.86 53.75 1wfs s ASN 35 Cb 0.03 -2.49 -0.03 0.00 0.41 0.00 0.00 41.25 39.17 1wfs s ASN 35 CO 0.11 -0.18 0.01 0.00 -1.51 0.00 0.00 177.10 175.53 1wfs s ALA 36 N 0.88 0.37 0.09 0.60 0.00 -1.19 -0.55 121.76 121.96 1wfs s ALA 36 Ca 0.44 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 51.37 1wfs s ALA 36 Cb -0.19 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 1wfs s ALA 36 CO 0.23 -0.39 -0.13 0.00 0.00 0.00 0.00 175.76 175.47 1wfs s ALA 37 N -3.82 1.19 -0.23 0.00 0.00 0.62 -0.28 121.76 119.22 1wfs s ALA 37 Ca 0.06 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 1wfs s ALA 37 Cb 0.07 -0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.21 1wfs s ALA 37 CO -0.10 0.10 0.07 0.42 0.00 0.00 0.00 175.76 176.25 1wfs s ILE 38 N -1.72 0.38 -0.27 0.00 1.01 -0.61 -1.85 121.20 118.14 1wfs s ILE 38 Ca 0.01 -0.70 -0.18 0.00 0.00 0.00 0.00 60.65 59.79 1wfs s ILE 38 Cb -0.07 -1.07 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 1wfs s ILE 38 CO 0.02 -0.41 0.52 -0.63 0.00 0.00 0.00 174.94 174.43 1wfs s ILE 39 N 1.90 5.06 0.03 2.92 1.01 -0.41 -0.82 121.20 130.90 1wfs s ILE 39 Ca 0.03 0.83 0.06 0.00 0.00 0.00 0.00 60.65 61.58 1wfs s ILE 39 Cb -0.17 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 1wfs s ILE 39 CO -0.17 0.05 -0.16 -0.04 0.00 0.00 0.00 174.94 174.62 1wfs s MET 40 N 2.33 2.17 0.45 2.79 -1.94 -0.60 0.52 119.30 125.02 1wfs s MET 40 Ca 0.21 -0.93 0.03 0.00 -1.71 0.00 0.00 55.69 53.29 1wfs s MET 40 Cb -0.16 -2.25 -0.03 0.00 2.01 0.00 0.00 34.83 34.41 1wfs s MET 40 CO 0.10 0.55 0.06 -1.59 -0.01 0.00 0.00 175.02 174.12 1wfs s LYS 41 N -1.40 2.04 -0.17 2.03 -2.85 0.51 -1.22 119.74 118.69 1wfs s LYS 41 Ca 0.15 -2.26 -0.00 0.00 -1.00 0.00 0.00 55.97 52.86 1wfs s LYS 41 Cb -0.11 -1.14 0.04 0.00 -2.06 0.00 0.00 37.83 34.56 1wfs s LYS 41 CO 0.05 -0.37 -0.06 0.54 0.10 0.00 0.00 175.35 175.61 1wfs s VAL 42 N -3.02 1.22 -0.40 1.79 0.11 -1.26 0.13 120.40 118.98 1wfs s VAL 42 Ca 0.17 -0.69 -0.29 0.00 -2.93 0.00 0.00 61.98 58.24 1wfs s VAL 42 Cb 0.03 -1.36 0.02 0.00 -1.53 0.00 0.00 36.38 33.53 1wfs s VAL 42 CO 0.09 0.15 1.25 -1.81 -3.33 0.00 0.00 175.10 171.45 1wfs s ASP 43 N 1.59 6.60 0.60 3.54 1.01 -0.64 -4.86 116.67 124.50 1wfs s ASP 43 Ca 0.01 0.82 0.31 0.00 0.71 0.00 0.00 52.55 54.39 1wfs s ASP 43 Cb -0.15 -2.54 1.78 0.00 1.01 0.00 0.00 42.92 43.02 1wfs s ASP 43 CO -0.08 -1.22 2.16 0.50 0.21 0.00 0.00 175.17 176.74 1wfs h LYS 44 N 9.52 0.00 -0.33 8.23 3.11 -1.96 1.55 116.57 136.69 1wfs h LYS 44 Ca -0.25 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.44 1wfs h LYS 44 Cb 1.08 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.31 1wfs h LYS 44 CO 1.08 0.00 -0.41 -0.44 -2.81 0.00 0.00 179.45 176.87 1wfs h ASP 45 N 0.00 0.94 -0.28 4.20 3.32 -1.97 -3.21 116.42 119.41 1wfs h ASP 45 Ca 0.05 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1wfs h ASP 45 Cb 0.33 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1wfs h ASP 45 CO -0.00 1.24 0.00 0.54 -1.72 0.00 0.00 179.24 179.30 1wfs n ARG 46 N -4.10 2.13 -3.98 3.56 1.74 -0.37 -4.98 116.66 110.66 1wfs n ARG 46 Ca -0.03 -1.88 -0.26 0.00 -0.77 0.00 0.00 57.85 54.90 1wfs n ARG 46 Cb 0.55 -1.31 -0.07 0.00 -1.02 0.00 0.00 32.46 30.61 1wfs n ARG 46 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1wfs n GLN 47 N 0.79 -0.89 -3.88 5.56 1.13 0.52 -4.90 117.38 115.71 1wfs n GLN 47 Ca 0.12 0.06 -0.11 0.00 -1.94 0.00 0.00 57.00 55.13 1wfs n GLN 47 Cb 0.43 -2.80 -0.11 0.00 0.11 0.00 0.00 30.24 27.87 1wfs n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wfs s MET 48 N -6.61 0.34 -0.59 -1.09 0.23 -1.18 -3.04 119.30 107.36 1wfs s MET 48 Ca 0.04 -0.24 -0.27 0.00 -1.03 0.00 0.00 55.69 54.18 1wfs s MET 48 Cb -0.02 0.14 0.03 0.00 -1.53 0.00 0.00 34.83 33.45 1wfs s MET 48 CO 0.81 -0.07 1.16 0.08 -2.03 0.00 0.00 175.02 174.97 1wfs s VAL 49 N -0.91 4.06 -0.01 5.16 1.01 0.05 -1.63 120.40 128.13 1wfs s VAL 49 Ca -0.10 0.76 0.04 0.00 0.00 0.00 0.00 61.98 62.68 1wfs s VAL 49 Cb -0.06 -4.71 -0.03 0.00 0.00 0.00 0.00 36.38 31.58 1wfs s VAL 49 CO 0.01 -1.34 -0.11 0.68 0.00 0.00 0.00 175.10 174.34 1wfs s VAL 50 N 4.84 3.35 0.40 2.92 -7.23 0.36 -2.23 120.40 122.81 1wfs s VAL 50 Ca 0.40 -0.80 -0.24 0.00 -1.81 0.00 0.00 61.98 59.53 1wfs s VAL 50 Cb -0.08 -2.40 -0.12 0.00 0.56 0.00 0.00 36.38 34.33 1wfs s VAL 50 CO 0.24 0.46 0.83 -0.11 -0.31 0.00 0.00 175.10 176.20 1wfs n LEU 51 N 1.83 1.44 -0.06 1.32 0.00 -1.26 -0.36 117.00 119.91 1wfs n LEU 51 Ca -0.16 1.01 -0.08 0.00 0.00 0.00 0.00 56.01 56.78 1wfs n LEU 51 Cb 0.52 -1.24 -0.05 0.00 0.00 0.00 0.00 43.42 42.65 1wfs n LEU 51 CO 0.28 -2.02 -0.88 1.21 0.00 0.00 0.00 177.39 175.98 1wfs n GLU 52 N 0.39 0.28 -3.61 1.96 2.13 0.18 -4.60 120.64 117.38 1wfs n GLU 52 Ca 0.11 0.07 -0.06 0.00 0.66 0.00 0.00 57.16 57.94 1wfs n GLU 52 Cb 0.38 -1.20 -0.02 0.00 0.27 0.00 0.00 31.44 30.87 1wfs n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1wfs s ASP 53 N -5.20 -0.26 -0.21 4.31 1.01 -0.03 -5.00 116.67 111.29 1wfs s ASP 53 Ca -0.16 -0.17 -0.04 0.00 0.71 0.00 0.00 52.55 52.90 1wfs s ASP 53 Cb 0.04 0.40 0.10 0.00 1.01 0.00 0.00 42.92 44.47 1wfs s ASP 53 CO 0.26 -0.69 0.25 -1.61 0.21 0.00 0.00 175.17 173.59 1wfs s GLU 54 N -3.11 0.22 -0.17 8.23 2.02 -1.26 -1.29 118.70 123.34 1wfs s GLU 54 Ca 0.09 0.30 -0.04 0.00 0.02 0.00 0.00 54.97 55.33 1wfs s GLU 54 Cb -0.01 -1.01 -0.03 0.00 0.10 0.00 0.00 34.13 33.19 1wfs s GLU 54 CO -0.04 -0.63 -0.03 -0.51 0.02 0.00 0.00 175.26 174.07 1wfs s LEU 55 N 2.37 3.22 0.28 1.80 1.43 -0.77 -5.00 118.68 122.02 1wfs s LEU 55 Ca 0.08 -0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.09 1wfs s LEU 55 Cb -0.15 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1wfs s LEU 55 CO -0.13 0.14 0.19 -1.10 0.23 0.00 0.00 176.35 175.68 1wfs s GLN 56 N 0.55 2.73 -1.28 1.70 1.11 -1.26 -0.28 119.66 122.93 1wfs s GLN 56 Ca -0.03 -1.22 -0.15 0.00 0.01 0.00 0.00 55.36 53.98 1wfs s GLN 56 Cb -0.14 -2.45 0.01 0.00 -1.01 0.00 0.00 33.01 29.42 1wfs s GLN 56 CO 0.03 0.29 0.57 0.27 0.01 0.00 0.00 175.29 176.46 1wfs n ASN 57 N -1.19 -2.81 -4.10 5.90 0.23 0.29 -4.94 115.26 108.63 1wfs n ASN 57 Ca -0.06 -1.09 -0.22 0.00 -0.53 0.00 0.00 54.58 52.68 1wfs n ASN 57 Cb 0.59 -2.78 -0.15 0.00 -2.08 0.00 0.00 39.78 35.36 1wfs n ASN 57 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1wfs s ILE 58 N -3.73 1.07 0.72 1.53 -1.16 -0.88 -5.01 121.20 113.75 1wfs s ILE 58 Ca 0.28 -0.60 -0.08 0.00 -0.51 0.00 0.00 60.65 59.73 1wfs s ILE 58 Cb -0.12 -0.90 0.06 0.00 0.61 0.00 0.00 42.46 42.11 1wfs s ILE 58 CO 0.90 0.29 1.05 -0.44 -2.81 0.00 0.00 174.94 173.94 1wfs s SER 59 N -0.36 4.83 0.00 4.50 0.01 -1.26 -4.53 113.70 116.89 1wfs s SER 59 Ca 0.05 0.60 0.11 0.00 1.31 0.00 0.00 55.95 58.02 1wfs s SER 59 Cb -0.05 -1.24 0.64 0.00 0.21 0.00 0.00 66.02 65.58 1wfs s SER 59 CO -0.00 -1.63 1.08 -0.81 0.41 0.00 0.00 173.24 172.29 1wfs n PRO 60 N -3.01 0.48 -0.04 12.44 -0.04 -1.26 -2.11 135.00 141.47 1wfs n PRO 60 Ca 0.08 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.55 1wfs n PRO 60 Cb 0.60 -1.35 -0.13 0.00 -0.04 0.00 0.00 33.50 32.58 1wfs n PRO 60 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wfs n GLU 61 N -0.85 0.90 0.07 0.54 1.02 -1.26 -4.25 120.64 116.81 1wfs n GLU 61 Ca 0.08 -0.09 -0.23 0.00 -0.02 0.00 0.00 57.16 56.90 1wfs n GLU 61 Cb 0.04 -1.41 -0.15 0.00 -0.02 0.00 0.00 31.44 29.90 1wfs n GLU 61 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wfs h GLU 62 N 0.00 0.38 0.07 3.49 4.39 -1.80 -3.34 114.58 117.78 1wfs h GLU 62 Ca -0.20 -0.65 0.02 0.00 0.34 0.00 0.00 59.36 58.87 1wfs h GLU 62 Cb 1.34 0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 30.19 1wfs h GLU 62 CO 0.01 1.31 -0.23 1.25 -1.16 0.00 0.00 179.01 180.19 1wfs h LEU 63 N 0.00 -0.67 -1.68 1.33 6.46 -1.76 -1.00 115.31 117.99 1wfs h LEU 63 Ca -0.32 0.08 0.29 0.00 -0.12 0.00 0.00 57.88 57.82 1wfs h LEU 63 Cb 2.02 0.26 -0.07 0.00 -0.73 0.00 0.00 40.66 42.14 1wfs h LEU 63 CO 0.17 -0.31 0.73 0.50 -0.62 0.00 0.00 178.44 178.90 1wfs h LYS 64 N -0.41 0.19 -0.09 1.25 3.64 -1.75 0.35 116.57 119.75 1wfs h LYS 64 Ca 0.04 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.18 1wfs h LYS 64 Cb 0.45 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1wfs h LYS 64 CO -0.16 0.13 -0.85 -0.07 -2.27 0.00 0.00 179.45 176.22 1wfs h LEU 65 N 0.19 0.84 -1.39 5.20 3.38 -1.34 -3.14 115.31 119.06 1wfs h LEU 65 Ca 0.56 -0.59 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1wfs h LEU 65 Cb 1.81 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1wfs h LEU 65 CO -0.15 1.38 -0.28 -0.33 0.09 0.00 0.00 178.44 179.15 1wfs h GLU 66 N 0.44 0.00 -6.65 1.13 4.39 0.58 -3.43 114.58 111.04 1wfs h GLU 66 Ca -0.07 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.12 1wfs h GLU 66 Cb 1.48 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.10 1wfs h GLU 66 CO 0.17 0.28 0.26 -0.51 -1.16 0.00 0.00 179.01 178.05 1wfs s LEU 67 N -7.60 4.57 0.00 1.33 1.43 -0.31 -5.07 118.68 113.03 1wfs s LEU 67 Ca -0.02 1.76 -0.01 0.00 -1.03 0.00 0.00 54.13 54.83 1wfs s LEU 67 Cb 0.13 -3.52 0.02 0.00 0.03 0.00 0.00 46.19 42.85 1wfs s LEU 67 CO 0.67 0.15 0.06 -0.81 0.23 0.00 0.00 176.35 176.64 1wfs n PRO 68 N 1.37 -1.13 0.00 1.29 -0.04 -1.26 -4.94 135.00 130.29 1wfs n PRO 68 Ca -0.03 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1wfs n PRO 68 Cb 0.48 -0.09 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 1wfs n PRO 68 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wfs n GLU 69 N -1.69 -0.04 0.00 0.54 0.28 -1.26 -4.64 120.64 113.83 1wfs n GLU 69 Ca 0.01 -0.19 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 1wfs n GLU 69 Cb 0.03 -0.58 0.00 0.00 1.43 0.00 0.00 31.44 32.32 1wfs n GLU 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wfs n ARG 70 N -0.01 2.93 -4.00 3.44 5.12 -1.26 -3.88 116.66 118.99 1wfs n ARG 70 Ca 0.00 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.58 1wfs n ARG 70 Cb 0.26 -0.33 -0.15 0.00 -1.16 0.00 0.00 32.46 31.08 1wfs n ARG 70 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1wfs s GLN 71 N -0.47 2.95 0.74 5.56 -0.21 -1.26 -3.31 119.66 123.65 1wfs s GLN 71 Ca 0.00 -0.89 -0.12 0.00 0.02 0.00 0.00 55.36 54.37 1wfs s GLN 71 Cb 0.00 -2.87 0.04 0.00 1.00 0.00 0.00 33.01 31.18 1wfs s GLN 71 CO 0.00 -0.32 1.10 -1.25 -2.12 0.00 0.00 175.29 172.70 1wfs s PRO 72 N 1.33 2.42 0.00 2.91 0.04 -1.26 -4.64 135.00 135.81 1wfs s PRO 72 Ca 0.02 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1wfs s PRO 72 Cb -0.15 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1wfs s PRO 72 CO -0.07 -1.52 0.00 2.89 0.04 0.00 0.00 177.00 178.34 1wfs n ARG 73 N -3.18 -0.15 -3.78 4.56 1.85 -0.68 -4.98 116.66 110.31 1wfs n ARG 73 Ca 0.09 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.68 1wfs n ARG 73 Cb 0.53 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.91 1wfs n ARG 73 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1wfs s PHE 74 N -2.00 3.48 -0.23 2.89 0.08 -0.35 -1.13 117.98 120.72 1wfs s PHE 74 Ca 0.00 0.25 -0.05 0.00 0.12 0.00 0.00 56.93 57.25 1wfs s PHE 74 Cb 0.00 -1.78 0.12 0.00 -0.57 0.00 0.00 43.02 40.79 1wfs s PHE 74 CO 0.00 0.42 0.43 0.08 -0.10 0.00 0.00 175.22 176.05 1wfs s VAL 75 N -1.84 -0.69 -0.60 -0.44 1.01 0.10 -1.56 120.40 116.39 1wfs s VAL 75 Ca 0.37 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.26 1wfs s VAL 75 Cb -0.11 -0.77 0.15 0.00 0.00 0.00 0.00 36.38 35.65 1wfs s VAL 75 CO 0.29 -0.02 0.53 -0.69 0.00 0.00 0.00 175.10 175.22 1wfs s VAL 76 N 2.63 5.06 -0.09 2.92 1.01 0.00 0.83 120.40 132.76 1wfs s VAL 76 Ca 0.06 -1.85 -0.16 0.00 0.00 0.00 0.00 61.98 60.03 1wfs s VAL 76 Cb -0.14 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 1wfs s VAL 76 CO -0.15 -0.89 0.40 -0.47 0.00 0.00 0.00 175.10 173.99 1wfs s TYR 77 N 1.14 3.57 -0.47 5.22 5.04 -1.16 -1.58 117.35 129.12 1wfs s TYR 77 Ca 0.08 0.84 -0.03 0.00 -2.44 0.00 0.00 57.07 55.52 1wfs s TYR 77 Cb -0.24 -2.40 0.12 0.00 0.35 0.00 0.00 41.96 39.79 1wfs s TYR 77 CO -0.01 0.36 0.27 0.45 -1.34 0.00 0.00 175.55 175.28 1wfs s SER 78 N -0.02 5.28 0.68 4.32 0.15 0.61 -2.48 113.70 122.23 1wfs s SER 78 Ca 0.23 -2.24 -0.08 0.00 0.70 0.00 0.00 55.95 54.56 1wfs s SER 78 Cb -0.15 -1.85 0.04 0.00 -1.71 0.00 0.00 66.02 62.35 1wfs s SER 78 CO 0.10 -0.51 1.01 -0.47 1.20 0.00 0.00 173.24 174.56 1wfs s TYR 79 N 0.84 3.09 -0.30 3.44 5.04 -1.25 -3.16 117.35 125.06 1wfs s TYR 79 Ca 0.10 0.63 0.02 0.00 -2.44 0.00 0.00 57.07 55.39 1wfs s TYR 79 Cb -0.22 -3.06 0.07 0.00 0.35 0.00 0.00 41.96 39.10 1wfs s TYR 79 CO -0.04 -1.22 -0.03 0.21 -1.34 0.00 0.00 175.55 173.13 1wfs s LYS 80 N -5.21 2.05 -0.19 4.97 2.20 -1.26 -2.53 119.74 119.77 1wfs s LYS 80 Ca 0.58 -1.50 -0.09 0.00 -0.36 0.00 0.00 55.97 54.60 1wfs s LYS 80 Cb -0.11 -3.06 -0.05 0.00 -1.51 0.00 0.00 37.83 33.11 1wfs s LYS 80 CO 0.46 -0.70 0.10 -0.47 -0.36 0.00 0.00 175.35 174.38 1wfs s TYR 81 N 1.07 3.36 0.20 4.03 6.14 0.17 -4.96 117.35 127.36 1wfs s TYR 81 Ca -0.02 0.24 -0.01 0.00 0.64 0.00 0.00 57.07 57.92 1wfs s TYR 81 Cb -0.20 -2.11 -0.04 0.00 0.42 0.00 0.00 41.96 40.03 1wfs s TYR 81 CO -0.05 0.27 0.39 0.08 0.64 0.00 0.00 175.55 176.87 1wfs s VAL 82 N 0.27 5.20 0.00 3.14 1.01 -1.26 -0.71 120.40 128.05 1wfs s VAL 82 Ca 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1wfs s VAL 82 Cb -0.12 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1wfs s VAL 82 CO -0.01 -0.17 0.00 1.41 0.00 0.00 0.00 175.10 176.33 1wfs n HIS 83 N -0.64 0.00 0.00 5.22 -0.00 0.16 -4.95 115.22 115.01 1wfs n HIS 83 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 1wfs n HIS 83 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.53 1wfs n HIS 83 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1wfs n ASP 84 N -0.17 0.00 0.11 0.41 9.92 -1.26 -4.95 116.55 120.62 1wfs n ASP 84 Ca 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.37 1wfs n ASP 84 Cb 0.00 0.00 0.46 0.00 -0.64 0.00 0.00 41.12 40.94 1wfs n ASP 84 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1wfs n ASP 85 N 0.00 0.57 0.00 -2.24 -0.08 -1.26 -4.78 116.55 108.76 1wfs n ASP 85 Ca 0.00 0.64 0.00 0.00 -1.51 0.00 0.00 54.79 53.92 1wfs n ASP 85 Cb 0.00 -0.76 0.00 0.00 2.34 0.00 0.00 41.12 42.70 1wfs n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wfs n GLY 86 N 0.02 0.89 3.46 0.27 0.00 -1.26 -5.14 105.19 103.44 1wfs n GLY 86 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1wfs n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfs s ARG 87 N 0.00 2.86 -0.04 1.61 1.81 -1.26 -5.02 118.95 118.92 1wfs s ARG 87 Ca 0.00 -0.66 -0.00 0.00 -1.72 0.00 0.00 55.73 53.35 1wfs s ARG 87 Cb 0.00 -2.51 0.03 0.00 -0.45 0.00 0.00 34.95 32.02 1wfs s ARG 87 CO 0.00 0.49 0.01 0.54 -0.68 0.00 0.00 175.30 175.66 1wfs s VAL 88 N -0.37 0.16 0.35 3.52 0.11 -1.26 0.41 120.40 123.31 1wfs s VAL 88 Ca 0.04 0.15 0.09 0.00 -2.93 0.00 0.00 61.98 59.34 1wfs s VAL 88 Cb -0.12 -0.29 -0.07 0.00 -1.53 0.00 0.00 36.38 34.37 1wfs s VAL 88 CO 0.02 0.17 -0.09 -0.44 -3.33 0.00 0.00 175.10 171.43 1wfs s SER 89 N 1.37 3.72 -0.53 3.54 0.01 0.11 -4.96 113.70 116.96 1wfs s SER 89 Ca -0.05 -1.21 -0.04 0.00 1.31 0.00 0.00 55.95 55.97 1wfs s SER 89 Cb -0.13 -0.35 0.14 0.00 0.21 0.00 0.00 66.02 65.89 1wfs s SER 89 CO -0.03 -0.22 0.35 -0.31 0.41 0.00 0.00 173.24 173.44 1wfs s TYR 90 N -2.62 3.49 -0.70 2.43 2.02 -1.26 0.45 117.35 121.16 1wfs s TYR 90 Ca 0.33 -2.50 -0.26 0.00 -0.37 0.00 0.00 57.07 54.27 1wfs s TYR 90 Cb 0.03 -3.26 -0.03 0.00 -0.40 0.00 0.00 41.96 38.30 1wfs s TYR 90 CO 0.16 -0.91 1.89 -1.25 -1.57 0.00 0.00 175.55 173.87 1wfs s PRO 91 N 0.56 2.60 0.18 -1.71 0.04 -1.05 -4.80 135.00 130.82 1wfs s PRO 91 Ca 0.12 0.33 -0.30 0.00 0.04 0.00 0.00 61.00 61.19 1wfs s PRO 91 Cb -0.22 -4.60 -0.08 0.00 0.04 0.00 0.00 34.50 29.65 1wfs s PRO 91 CO -0.04 -2.93 1.23 -0.51 0.04 0.00 0.00 177.00 174.79 1wfs s LEU 92 N 9.39 4.44 0.14 -3.56 1.02 -1.26 -3.86 118.68 124.98 1wfs s LEU 92 Ca 0.68 2.27 0.03 0.00 0.02 0.00 0.00 54.13 57.13 1wfs s LEU 92 Cb -0.11 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.45 1wfs s LEU 92 CO 0.14 -0.42 -0.07 0.00 0.02 0.00 0.00 176.35 176.03 1wfs s PHE 94 N -3.49 3.31 -0.23 0.00 5.36 -0.75 -2.97 117.98 119.20 1wfs s PHE 94 Ca 0.17 -1.34 -0.17 0.00 -0.96 0.00 0.00 56.93 54.63 1wfs s PHE 94 Cb 0.04 -3.00 -0.03 0.00 -0.34 0.00 0.00 43.02 39.69 1wfs s PHE 94 CO -0.00 -0.83 0.46 0.42 -1.46 0.00 0.00 175.22 173.81 1wfs s ILE 95 N 1.49 5.13 -0.45 3.12 1.01 0.24 -1.10 121.20 130.64 1wfs s ILE 95 Ca 0.03 0.80 -0.15 0.00 0.00 0.00 0.00 60.65 61.33 1wfs s ILE 95 Cb -0.23 -3.78 0.06 0.00 0.01 0.00 0.00 42.46 38.51 1wfs s ILE 95 CO 0.04 0.16 0.37 0.12 0.00 0.00 0.00 174.94 175.63 1wfs s PHE 96 N 1.85 3.24 -0.99 3.97 2.19 -1.03 0.03 117.98 127.23 1wfs s PHE 96 Ca 0.20 -0.82 -0.23 0.00 0.33 0.00 0.00 56.93 56.41 1wfs s PHE 96 Cb -0.15 -3.00 0.04 0.00 -1.31 0.00 0.00 43.02 38.59 1wfs s PHE 96 CO 0.09 -0.74 1.50 0.45 1.83 0.00 0.00 175.22 178.35 1wfs s SER 97 N 2.33 6.32 -0.40 6.13 0.15 -0.28 -2.09 113.70 125.84 1wfs s SER 97 Ca 0.05 -1.30 0.01 0.00 0.70 0.00 0.00 55.95 55.40 1wfs s SER 97 Cb -0.23 -2.57 0.11 0.00 -1.71 0.00 0.00 66.02 61.63 1wfs s SER 97 CO 0.08 -1.68 0.16 -0.55 1.20 0.00 0.00 173.24 172.45 1wfs s SER 98 N 5.30 4.97 0.35 5.45 0.15 -0.71 -1.69 113.70 127.53 1wfs s SER 98 Ca 0.48 -2.22 0.00 0.00 0.70 0.00 0.00 55.95 54.91 1wfs s SER 98 Cb -0.01 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 1wfs s SER 98 CO -0.08 -0.44 0.00 -0.81 1.20 0.00 0.00 173.24 173.12 1wfs n PRO 99 N 4.25 0.28 0.00 5.44 -0.04 -1.25 -3.44 135.00 140.24 1wfs n PRO 99 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1wfs n PRO 99 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 1wfs n PRO 99 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wfs n VAL 100 N -1.23 0.00 1.51 0.52 0.31 -1.25 -4.66 118.33 113.53 1wfs n VAL 100 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1wfs n VAL 100 Cb 0.00 -0.30 0.18 0.00 -0.91 0.00 0.00 33.84 32.82 1wfs n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wfs n GLY 101 N 2.39 -0.27 3.94 2.92 0.00 -1.25 -4.79 105.19 108.13 1wfs n GLY 101 Ca 0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1wfs n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfs s LYS 103 N -5.57 3.14 0.11 0.00 1.02 -1.26 -5.00 119.74 112.18 1wfs s LYS 103 Ca 0.68 -0.69 0.18 0.00 0.02 0.00 0.00 55.97 56.16 1wfs s LYS 103 Cb -0.07 -2.82 0.77 0.00 -0.52 0.00 0.00 37.83 35.19 1wfs s LYS 103 CO 0.49 0.53 1.56 -0.35 -0.92 0.00 0.00 175.35 176.66 1wfs n PRO 104 N -0.16 0.08 0.07 -1.68 -0.04 -1.26 -2.30 135.00 129.71 1wfs n PRO 104 Ca -0.07 0.33 -0.12 0.00 -0.04 0.00 0.00 63.50 63.59 1wfs n PRO 104 Cb 0.53 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.29 1wfs n PRO 104 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wfs h GLU 105 N 0.00 0.35 0.00 0.54 5.08 -2.01 -3.25 114.58 115.30 1wfs h GLU 105 Ca 0.00 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1wfs h GLU 105 Cb 0.29 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1wfs h GLU 105 CO 0.00 1.07 -0.48 1.96 -1.00 0.00 0.00 179.01 180.56 1wfs h GLN 106 N 0.19 0.00 -0.78 2.33 1.08 -1.93 -3.34 115.11 112.66 1wfs h GLN 106 Ca -0.07 0.00 0.28 0.00 -1.45 0.00 0.00 58.65 57.41 1wfs h GLN 106 Cb 1.58 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.87 1wfs h GLN 106 CO 0.16 0.02 0.25 0.94 -0.95 0.00 0.00 178.83 179.25 1wfs n GLN 107 N -4.63 -0.05 -0.13 1.46 0.00 -0.97 0.22 117.38 113.28 1wfs n GLN 107 Ca -0.07 1.12 -0.09 0.00 -0.00 0.00 0.00 57.00 57.96 1wfs n GLN 107 Cb 0.25 -1.91 -0.00 0.00 0.00 0.00 0.00 30.24 28.58 1wfs n GLN 107 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1wfs h MET 108 N 0.00 0.57 -0.93 3.69 2.86 -1.74 0.32 114.93 119.70 1wfs h MET 108 Ca 0.59 -0.08 0.19 0.00 -2.06 0.00 0.00 59.70 58.34 1wfs h MET 108 Cb 1.43 -0.11 -0.11 0.00 0.06 0.00 0.00 31.60 32.88 1wfs h MET 108 CO -0.66 0.48 0.51 0.52 1.06 0.00 0.00 176.91 178.82 1wfs h MET 109 N 0.51 0.62 0.09 1.72 2.86 0.26 0.64 114.93 121.62 1wfs h MET 109 Ca 0.14 -0.04 -0.28 0.00 -2.06 0.00 0.00 59.70 57.46 1wfs h MET 109 Cb 0.09 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1wfs h MET 109 CO -0.02 0.41 -1.41 1.88 1.06 0.00 0.00 176.91 178.83 1wfs h TYR 110 N 0.64 0.34 0.00 -0.22 -1.99 -1.17 -2.58 116.97 111.98 1wfs h TYR 110 Ca 0.54 -0.24 -0.05 0.00 2.00 0.00 0.00 58.73 60.98 1wfs h TYR 110 Cb 0.88 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.59 1wfs h TYR 110 CO -0.06 1.26 -0.22 0.00 -0.00 0.00 0.00 178.16 179.15 1wfs h ALA 111 N 0.64 1.10 0.00 3.88 0.00 0.11 0.46 119.26 125.45 1wfs h ALA 111 Ca -0.19 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1wfs h ALA 111 Cb 1.97 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 1wfs h ALA 111 CO 0.15 0.27 -1.70 0.41 0.00 0.00 0.00 179.25 178.39 1wfs n GLY 112 N -0.09 -1.15 0.20 0.00 0.00 0.21 -4.19 105.19 100.16 1wfs n GLY 112 Ca -0.01 -0.33 0.09 0.00 0.00 0.00 0.00 46.02 45.78 1wfs n GLY 112 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfs n SER 113 N -2.58 1.34 0.08 1.61 7.64 -0.97 -4.44 113.62 116.29 1wfs n SER 113 Ca -0.09 -1.17 -0.06 0.00 1.01 0.00 0.00 58.87 58.56 1wfs n SER 113 Cb 0.72 0.76 -0.03 0.00 -1.01 0.00 0.00 64.21 64.66 1wfs n SER 113 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1wfs h LYS 114 N 0.99 -0.29 -0.99 1.43 3.64 -0.25 -0.18 116.57 120.92 1wfs h LYS 114 Ca 0.00 0.02 0.31 0.00 -1.27 0.00 0.00 60.65 59.71 1wfs h LYS 114 Cb 0.55 0.07 -0.15 0.00 -0.41 0.00 0.00 32.23 32.29 1wfs h LYS 114 CO 0.00 -0.19 0.54 -0.91 -2.27 0.00 0.00 179.45 176.62 1wfs h ASN 115 N -0.30 0.47 0.20 4.20 2.35 -1.82 0.36 115.58 121.04 1wfs h ASN 115 Ca -0.01 0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1wfs h ASN 115 Cb 0.27 0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1wfs h ASN 115 CO -0.05 -0.13 -0.10 -0.09 -1.65 0.00 0.00 177.43 175.42 1wfs h ARG 116 N 0.32 -0.26 0.42 0.81 9.65 -1.67 0.21 114.38 123.86 1wfs h ARG 116 Ca 0.71 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.59 1wfs h ARG 116 Cb 1.60 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.25 1wfs h ARG 116 CO -0.61 -0.12 -0.20 1.25 2.80 0.00 0.00 179.97 183.09 1wfs h LEU 117 N -0.34 -0.48 -0.12 3.80 5.85 0.11 -2.64 115.31 121.48 1wfs h LEU 117 Ca -0.03 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1wfs h LEU 117 Cb 0.26 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 1wfs h LEU 117 CO 0.05 -0.15 -0.45 0.58 -0.34 0.00 0.00 178.44 178.13 1wfs h VAL 118 N -0.83 0.11 -1.01 1.05 2.07 -0.47 0.69 116.25 117.85 1wfs h VAL 118 Ca -0.06 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.73 1wfs h VAL 118 Cb 0.55 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 1wfs h VAL 118 CO 0.09 0.00 0.68 1.56 0.02 0.00 0.00 177.57 179.93 1wfs h GLN 119 N -0.52 0.25 -0.33 1.57 4.20 -1.00 0.14 115.11 119.41 1wfs h GLN 119 Ca 0.06 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1wfs h GLN 119 Cb 0.65 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1wfs h GLN 119 CO -0.40 0.16 -0.00 1.15 -0.67 0.00 0.00 178.83 179.07 1wfs h THR 120 N 0.26 1.26 0.00 -0.54 2.02 -0.51 -2.86 112.91 112.54 1wfs h THR 120 Ca 0.53 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 1wfs h THR 120 Cb 1.61 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 69.25 1wfs h THR 120 CO -0.17 0.32 -0.32 0.00 0.37 0.00 0.00 175.52 175.72 1wfs h ALA 121 N 0.85 1.09 -0.73 6.16 0.00 -0.03 -3.45 119.26 123.16 1wfs h ALA 121 Ca 0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1wfs h ALA 121 Cb 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wfs h ALA 121 CO 0.02 0.40 -0.06 -1.91 0.00 0.00 0.00 179.25 177.70 1wfs n GLU 122 N -3.61 -0.41 -2.81 0.00 0.00 -0.26 -4.70 120.64 108.86 1wfs n GLU 122 Ca -0.01 0.10 -0.43 0.00 0.00 0.00 0.00 57.16 56.83 1wfs n GLU 122 Cb 0.45 -3.44 -0.03 0.00 0.00 0.00 0.00 31.44 28.41 1wfs n GLU 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1wfs s LEU 123 N -1.00 4.42 0.27 4.31 1.43 -1.23 -4.88 118.68 122.00 1wfs s LEU 123 Ca 0.02 -1.53 -0.00 0.00 -1.03 0.00 0.00 54.13 51.59 1wfs s LEU 123 Cb -0.01 -2.45 0.56 0.00 0.03 0.00 0.00 46.19 44.32 1wfs s LEU 123 CO 0.03 -1.31 1.75 0.74 0.23 0.00 0.00 176.35 177.78 1wfs h THR 124 N 6.09 0.67 -3.31 5.49 2.02 -1.93 -3.38 112.91 118.56 1wfs h THR 124 Ca 0.02 -0.19 -0.60 0.00 0.77 0.00 0.00 66.41 66.41 1wfs h THR 124 Cb 1.04 0.06 -0.09 0.00 -1.74 0.00 0.00 68.15 67.42 1wfs h THR 124 CO 1.21 0.10 0.47 -0.54 0.37 0.00 0.00 175.52 177.13 1wfs s LYS 125 N -5.96 4.15 -0.20 6.66 1.02 -1.26 -5.03 119.74 119.12 1wfs s LYS 125 Ca -0.12 0.89 -0.00 0.00 0.02 0.00 0.00 55.97 56.76 1wfs s LYS 125 Cb 0.22 -3.66 0.05 0.00 -0.52 0.00 0.00 37.83 33.92 1wfs s LYS 125 CO 0.78 -0.55 -0.04 0.08 -0.92 0.00 0.00 175.35 174.70 1wfs s VAL 126 N 2.88 1.17 0.25 3.17 1.01 -1.26 -1.82 120.40 125.80 1wfs s VAL 126 Ca 0.35 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.56 1wfs s VAL 126 Cb -0.15 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1wfs s VAL 126 CO 0.08 -0.03 0.05 -0.36 0.00 0.00 0.00 175.10 174.84 1wfs s PHE 127 N 1.58 2.82 0.10 5.22 0.08 -0.26 -4.96 117.98 122.57 1wfs s PHE 127 Ca -0.02 -0.18 0.06 0.00 0.12 0.00 0.00 56.93 56.91 1wfs s PHE 127 Cb -0.17 -1.27 -0.03 0.00 -0.57 0.00 0.00 43.02 40.98 1wfs s PHE 127 CO -0.07 0.58 -0.16 -2.00 -0.10 0.00 0.00 175.22 173.47 1wfs s GLU 128 N -3.62 0.99 -0.03 0.44 2.12 -1.26 -2.48 118.70 114.86 1wfs s GLU 128 Ca 0.31 -1.13 -0.00 0.00 0.36 0.00 0.00 54.97 54.51 1wfs s GLU 128 Cb -0.07 -1.01 0.03 0.00 0.26 0.00 0.00 34.13 33.34 1wfs s GLU 128 CO 0.21 0.21 0.01 0.96 -0.54 0.00 0.00 175.26 176.11 1wfs s ILE 129 N -1.62 0.13 -1.09 -3.70 -4.36 -0.89 -4.89 121.20 104.77 1wfs s ILE 129 Ca 0.05 0.15 0.26 0.00 -0.26 0.00 0.00 60.65 60.85 1wfs s ILE 129 Cb -0.08 -0.25 0.27 0.00 1.25 0.00 0.00 42.46 43.65 1wfs s ILE 129 CO 0.03 0.15 1.86 -1.14 0.24 0.00 0.00 174.94 176.09 1wfs n ARG 130 N 4.36 0.09 -3.63 0.37 3.00 -1.25 -1.74 116.66 117.86 1wfs n ARG 130 Ca -0.23 0.04 -0.07 0.00 -0.00 0.00 0.00 57.85 57.60 1wfs n ARG 130 Cb 0.50 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.40 1wfs n ARG 130 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1wfs s THR 131 N -2.91 0.00 0.26 5.15 -1.32 -1.22 -3.90 115.64 111.70 1wfs s THR 131 Ca 0.16 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.58 1wfs s THR 131 Cb 0.17 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.49 1wfs s THR 131 CO 0.47 0.00 1.61 0.71 -2.21 0.00 0.00 174.62 175.20 1wfs h THR 132 N 3.13 0.23 -1.49 5.08 1.35 -1.88 0.28 112.91 119.61 1wfs h THR 132 Ca -0.24 -0.02 0.45 0.00 -0.55 0.00 0.00 66.41 66.04 1wfs h THR 132 Cb 1.18 0.16 -0.08 0.00 -1.73 0.00 0.00 68.15 67.68 1wfs h THR 132 CO 0.17 0.01 1.05 0.47 -0.25 0.00 0.00 175.52 176.97 1wfs n ASP 133 N -5.41 0.05 0.03 5.36 9.92 -1.26 0.17 116.55 125.40 1wfs n ASP 133 Ca 0.16 0.91 -0.13 0.00 -0.53 0.00 0.00 54.79 55.20 1wfs n ASP 133 Cb 0.53 -0.45 -0.08 0.00 -0.64 0.00 0.00 41.12 40.47 1wfs n ASP 133 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1wfs h ASP 134 N 0.00 -0.03 -0.16 -2.24 1.82 -0.85 -3.39 116.42 111.56 1wfs h ASP 134 Ca 0.76 -0.24 -0.07 0.00 -0.39 0.00 0.00 57.03 57.09 1wfs h ASP 134 Cb 2.90 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 42.89 1wfs h ASP 134 CO -0.12 0.22 0.55 -0.11 -1.61 0.00 0.00 179.24 178.17 1wfs n LEU 135 N -4.99 0.53 -4.29 2.28 7.94 0.46 -4.68 117.00 114.25 1wfs n LEU 135 Ca -0.08 -1.55 -0.24 0.00 -1.11 0.00 0.00 56.01 53.03 1wfs n LEU 135 Cb 0.15 -1.32 -0.12 0.00 0.53 0.00 0.00 43.42 42.66 1wfs n LEU 135 CO 0.33 -2.54 -0.52 0.42 -1.11 0.00 0.00 177.39 173.98 1wfs s THR 136 N 10.65 1.74 0.32 1.96 -4.23 -1.26 -4.65 115.64 120.16 1wfs s THR 136 Ca 0.86 -1.56 0.08 0.00 -1.18 0.00 0.00 61.69 59.89 1wfs s THR 136 Cb -0.24 -1.59 0.35 0.00 1.34 0.00 0.00 72.50 72.36 1wfs s THR 136 CO 0.20 -0.06 1.62 -0.08 -0.54 0.00 0.00 174.62 175.75 1wfs h GLU 137 N 4.04 0.13 0.15 3.99 4.81 -1.89 0.13 114.58 125.94 1wfs h GLU 137 Ca -0.46 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1wfs h GLU 137 Cb 1.18 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1wfs h GLU 137 CO 0.40 0.09 -0.07 1.15 -0.73 0.00 0.00 179.01 179.84 1wfs h THR 138 N 0.14 0.00 -1.04 0.32 2.02 -1.95 -2.17 112.91 110.22 1wfs h THR 138 Ca 0.65 -0.26 0.30 0.00 0.77 0.00 0.00 66.41 67.87 1wfs h THR 138 Cb 1.46 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 1wfs h THR 138 CO -0.74 0.00 1.22 -0.25 0.37 0.00 0.00 175.52 176.12 1wfs h TRP 139 N -0.46 0.00 0.00 3.16 7.01 -1.70 0.30 115.95 124.26 1wfs h TRP 139 Ca -0.02 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.98 1wfs h TRP 139 Cb 0.15 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 1wfs h TRP 139 CO 0.05 0.00 -0.14 1.25 -2.79 0.00 0.00 178.44 176.81 1wfs h LEU 140 N 0.00 0.00 -2.27 0.65 5.85 -1.00 -3.32 115.31 115.23 1wfs h LEU 140 Ca 0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.21 1wfs h LEU 140 Cb 2.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.96 1wfs h LEU 140 CO -0.01 0.49 0.16 0.11 -0.34 0.00 0.00 178.44 178.85 1wfs h LYS 141 N -0.84 0.00 0.28 1.25 1.57 -0.12 -2.02 116.57 116.68 1wfs h LYS 141 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1wfs h LYS 141 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1wfs h LYS 141 CO 0.00 0.00 -0.13 0.93 -0.57 0.00 0.00 179.45 179.68 1wfs h GLU 142 N 0.00 -0.36 -0.48 3.15 5.08 -0.66 0.38 114.58 121.70 1wfs h GLU 142 Ca 0.00 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1wfs h GLU 142 Cb 0.32 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1wfs h GLU 142 CO 0.00 -0.05 0.24 0.87 -1.00 0.00 0.00 179.01 179.07 1wfs h LYS 143 N -0.69 0.69 -0.55 2.33 1.79 -1.47 -2.89 116.57 115.77 1wfs h LYS 143 Ca -0.04 -0.10 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 1wfs h LYS 143 Cb 0.48 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 1wfs h LYS 143 CO 0.06 0.57 0.28 -0.07 -1.08 0.00 0.00 179.45 179.21 1wfs h LEU 144 N 0.63 0.71 -0.20 2.94 3.38 -1.53 -2.17 115.31 119.08 1wfs h LEU 144 Ca 0.17 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1wfs h LEU 144 Cb 0.11 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1wfs h LEU 144 CO -0.02 0.63 -0.12 0.00 0.09 0.00 0.00 178.44 179.02 1wfs n ALA 145 N -2.32 -0.13 -2.55 1.53 0.00 0.12 -4.58 120.51 112.59 1wfs n ALA 145 Ca 0.03 0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.63 1wfs n ALA 145 Cb 0.11 0.32 0.01 0.00 0.00 0.00 0.00 19.45 19.89 1wfs n ALA 145 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wfs n SER 146 N -3.38 -0.40 -4.35 0.00 2.88 -1.22 -5.11 113.62 102.04 1wfs n SER 146 Ca 0.00 -1.26 -0.29 0.00 -1.33 0.00 0.00 58.87 56.00 1wfs n SER 146 Cb 0.05 0.30 0.26 0.00 -0.75 0.00 0.00 64.21 64.06 1wfs n SER 146 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfs n GLY 147 N -0.27 -2.34 2.35 0.46 0.00 -0.82 -5.01 105.19 99.57 1wfs n GLY 147 Ca -0.08 -1.18 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 1wfs n GLY 147 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfs n PRO 148 N -4.63 -2.45 0.02 1.61 -0.04 -1.26 -5.05 135.00 123.20 1wfs n PRO 148 Ca 0.02 -1.17 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 1wfs n PRO 148 Cb 0.56 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 1wfs n PRO 148 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfs n SER 149 N -4.26 0.17 -4.75 3.54 2.88 -1.26 -5.08 113.62 104.86 1wfs n SER 149 Ca 0.10 0.05 -0.30 0.00 -1.33 0.00 0.00 58.87 57.40 1wfs n SER 149 Cb 0.39 -0.03 -0.07 0.00 -0.75 0.00 0.00 64.21 63.76 1wfs n SER 149 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wfs s SER 150 N -5.16 5.36 0.00 -3.46 0.15 -1.26 -5.17 113.70 104.16 1wfs s SER 150 Ca 0.00 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1wfs s SER 150 Cb 0.00 -1.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 1wfs s SER 150 CO 0.00 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.21