#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfs s SER 2 N 0.00 -0.95 -0.89 1.61 0.15 -1.26 -4.83 113.70 107.54 1wfs s SER 2 Ca 0.00 1.03 -0.18 0.00 0.70 0.00 0.00 55.95 57.50 1wfs s SER 2 Cb 0.00 1.97 0.14 0.00 -1.71 0.00 0.00 66.02 66.42 1wfs s SER 2 CO 0.00 -0.18 1.05 -0.44 1.20 0.00 0.00 173.24 174.87 1wfs s SER 3 N 2.76 6.61 0.00 5.45 0.01 -1.26 -4.89 113.70 122.37 1wfs s SER 3 Ca 0.02 -2.06 0.00 0.00 1.31 0.00 0.00 55.95 55.22 1wfs s SER 3 Cb -0.11 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1wfs s SER 3 CO -0.18 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.06 1wfs n GLY 4 N 5.27 2.94 0.06 3.44 0.00 -1.26 -5.09 105.19 110.55 1wfs n GLY 4 Ca 0.20 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1wfs n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfs n SER 5 N 0.00 0.00 -0.02 1.61 3.41 -1.26 -5.00 113.62 112.36 1wfs n SER 5 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1wfs n SER 5 Cb 0.00 0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 1wfs n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wfs h SER 6 N 0.00 -0.07 0.00 4.04 0.87 -1.99 -3.47 113.55 112.94 1wfs h SER 6 Ca 0.00 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 1wfs h SER 6 Cb 0.00 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1wfs h SER 6 CO 0.00 0.64 0.00 0.61 -0.53 0.00 0.00 176.83 177.55 1wfs n GLY 7 N 1.20 0.60 0.24 5.77 0.00 -1.26 -5.04 105.19 106.71 1wfs n GLY 7 Ca -0.07 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1wfs n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfs n SER 8 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.09 113.62 111.76 1wfs n SER 8 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wfs n SER 8 Cb 0.00 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1wfs n SER 8 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1wfs n ASP 9 N -1.40 0.00 -4.70 -3.46 -0.08 -1.26 -5.16 116.55 100.49 1wfs n ASP 9 Ca 0.00 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.99 1wfs n ASP 9 Cb 0.00 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 1wfs n ASP 9 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1wfs s SER 10 N 1.00 5.04 0.11 1.67 1.04 -1.26 -5.13 113.70 116.17 1wfs s SER 10 Ca 0.00 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.22 1wfs s SER 10 Cb 0.00 -1.19 -0.00 0.00 0.10 0.00 0.00 66.02 64.93 1wfs s SER 10 CO 0.00 0.14 0.12 0.18 0.98 0.00 0.00 173.24 174.66 1wfs n LEU 11 N 0.28 0.00 -2.28 2.42 4.77 -1.26 -5.04 117.00 115.89 1wfs n LEU 11 Ca -0.10 -0.94 -0.28 0.00 -0.03 0.00 0.00 56.01 54.67 1wfs n LEU 11 Cb 0.53 0.64 0.04 0.00 -2.33 0.00 0.00 43.42 42.30 1wfs n LEU 11 CO 0.40 -0.18 1.41 0.52 -1.33 0.00 0.00 177.39 178.20 1wfs n VAL 12 N -0.19 3.27 -1.28 4.08 0.31 -1.26 -5.00 118.33 118.26 1wfs n VAL 12 Ca 0.01 -2.65 -0.50 0.00 -0.01 0.00 0.00 64.34 61.19 1wfs n VAL 12 Cb 0.18 -1.31 -0.07 0.00 -0.91 0.00 0.00 33.84 31.73 1wfs n VAL 12 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1wfs n VAL 13 N -0.10 0.00 -4.38 2.52 3.14 -1.26 -4.75 118.33 113.50 1wfs n VAL 13 Ca 0.47 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.68 1wfs n VAL 13 Cb 0.56 -0.16 -0.03 0.00 -1.06 0.00 0.00 33.84 33.14 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 -3.03 2.46 -0.57 0.00 -1.05 -1.15 -4.88 118.70 110.48 1wfs s GLU 15 Ca 0.01 -1.51 -0.19 0.00 -0.15 0.00 0.00 54.97 53.13 1wfs s GLU 15 Cb -0.00 -2.25 0.09 0.00 -0.44 0.00 0.00 34.13 31.53 1wfs s GLU 15 CO 0.01 0.06 0.69 0.54 0.95 0.00 0.00 175.26 177.51 1wfs s VAL 16 N -2.41 4.82 0.15 1.83 0.11 -1.26 -0.43 120.40 123.20 1wfs s VAL 16 Ca 0.40 -0.84 -0.21 0.00 -2.93 0.00 0.00 61.98 58.40 1wfs s VAL 16 Cb -0.03 -4.44 -0.13 0.00 -1.53 0.00 0.00 36.38 30.25 1wfs s VAL 16 CO 0.24 -1.05 0.40 -0.67 -3.33 0.00 0.00 175.10 170.69 1wfs n ASP 17 N 6.34 -0.96 0.16 3.54 -0.08 -0.84 -4.67 116.55 120.04 1wfs n ASP 17 Ca -0.08 0.87 0.01 0.00 -1.51 0.00 0.00 54.79 54.07 1wfs n ASP 17 Cb 0.43 -0.73 0.27 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 0.77 0.01 0.00 -0.67 0.13 -1.95 -1.05 132.00 129.23 1wfs h PRO 18 Ca -0.21 -0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.81 1wfs h PRO 18 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1wfs h PRO 18 CO 0.44 0.49 -0.49 1.05 -0.23 0.00 0.00 178.00 179.26 1wfs h GLU 19 N 0.01 0.00 0.09 0.86 -0.00 -1.95 -3.25 114.58 110.34 1wfs h GLU 19 Ca -0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 59.36 59.04 1wfs h GLU 19 Cb 0.86 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.59 1wfs h GLU 19 CO 0.06 0.49 -1.70 1.25 -0.00 0.00 0.00 179.01 179.12 1wfs h LEU 20 N 0.00 0.29 -0.76 3.06 6.46 -1.82 -3.33 115.31 119.21 1wfs h LEU 20 Ca -0.00 -0.51 0.17 0.00 -0.12 0.00 0.00 57.88 57.41 1wfs h LEU 20 Cb 1.16 -0.10 -0.12 0.00 -0.73 0.00 0.00 40.66 40.87 1wfs h LEU 20 CO 0.06 1.44 0.16 0.50 -0.62 0.00 0.00 178.44 179.98 1wfs h LYS 21 N 0.05 0.22 -0.45 1.25 3.64 -1.22 0.30 116.57 120.36 1wfs h LYS 21 Ca -0.30 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.00 1wfs h LYS 21 Cb 2.02 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.77 1wfs h LYS 21 CO 0.12 0.15 0.04 0.93 -2.27 0.00 0.00 179.45 178.42 1wfs h GLU 22 N 0.23 0.77 -0.66 1.90 5.08 -1.71 -2.78 114.58 117.41 1wfs h GLU 22 Ca 0.43 -0.22 0.14 0.00 -1.00 0.00 0.00 59.36 58.71 1wfs h GLU 22 Cb 0.77 -0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.82 1wfs h GLU 22 CO -0.56 0.81 -0.02 1.15 -1.00 0.00 0.00 179.01 179.39 1wfs h THR 23 N 0.63 0.43 -0.02 1.13 2.02 -1.06 0.61 112.91 116.65 1wfs h THR 23 Ca 0.13 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 1wfs h THR 23 Cb 0.43 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1wfs h THR 23 CO 0.01 0.02 0.01 -0.07 0.37 0.00 0.00 175.52 175.86 1wfs h LEU 24 N 0.10 0.03 -2.00 2.58 3.38 -1.34 0.11 115.31 118.17 1wfs h LEU 24 Ca 0.34 -0.20 0.15 0.00 0.09 0.00 0.00 57.88 58.26 1wfs h LEU 24 Cb 0.57 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1wfs h LEU 24 CO -0.58 0.22 0.36 -0.09 0.09 0.00 0.00 178.44 178.44 1wfs h ARG 25 N -0.16 0.00 0.14 1.13 2.43 -0.99 -0.66 114.38 116.28 1wfs h ARG 25 Ca 0.01 -0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.86 1wfs h ARG 25 Cb 0.20 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1wfs h ARG 25 CO -0.00 0.00 -1.57 0.87 -1.51 0.00 0.00 179.97 177.76 1wfs h LYS 26 N 0.00 0.29 -0.62 0.20 1.57 -0.53 -3.25 116.57 114.23 1wfs h LYS 26 Ca 0.24 -0.49 0.03 0.00 -1.87 0.00 0.00 60.65 58.55 1wfs h LYS 26 Cb 0.96 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 1wfs h LYS 26 CO -0.00 1.16 0.41 0.35 -0.57 0.00 0.00 179.45 180.80 1wfs h PHE 27 N 0.08 0.71 -0.16 -1.35 3.57 0.73 1.89 116.94 122.41 1wfs h PHE 27 Ca -0.26 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.08 1wfs h PHE 27 Cb 2.04 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 40.53 1wfs h PHE 27 CO 0.07 0.42 -0.61 0.00 -2.23 0.00 0.00 178.31 175.97 1wfs h ARG 28 N 0.75 0.55 -0.69 1.11 3.08 -1.47 -3.27 114.38 114.43 1wfs h ARG 28 Ca 0.24 -0.37 -0.50 0.00 0.07 0.00 0.00 59.98 59.42 1wfs h ARG 28 Cb 0.05 0.05 -0.41 0.00 0.08 0.00 0.00 29.97 29.74 1wfs h ARG 28 CO -0.06 0.99 -0.83 1.19 -1.07 0.00 0.00 179.97 180.18 1wfs n PHE 29 N -3.93 2.52 -1.33 3.04 3.72 -0.70 -5.07 117.46 115.71 1wfs n PHE 29 Ca -0.04 -2.18 -0.30 0.00 -0.05 0.00 0.00 57.45 54.89 1wfs n PHE 29 Cb 0.64 -0.33 0.12 0.00 -0.94 0.00 0.00 39.48 38.97 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 -3.59 1.54 -0.37 -1.08 1.70 0.64 -4.92 118.95 112.87 1wfs s ARG 30 Ca 0.49 0.75 0.00 0.00 -0.47 0.00 0.00 55.73 56.50 1wfs s ARG 30 Cb 0.40 -1.85 0.35 0.00 -0.57 0.00 0.00 34.95 33.29 1wfs s ARG 30 CO 0.03 -2.03 1.83 1.63 -1.08 0.00 0.00 175.30 175.68 1wfs n LYS 31 N -3.73 1.96 -4.27 3.89 4.76 -1.26 -4.91 118.16 114.60 1wfs n LYS 31 Ca 0.07 -2.04 -0.26 0.00 -2.87 0.00 0.00 58.31 53.21 1wfs n LYS 31 Cb 0.56 -1.80 -0.07 0.00 -1.84 0.00 0.00 35.03 31.87 1wfs n LYS 31 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1wfs s GLU 32 N -2.31 2.18 0.00 1.97 2.02 -1.26 -5.06 118.70 116.24 1wfs s GLU 32 Ca 0.40 -1.98 0.00 0.00 0.02 0.00 0.00 54.97 53.41 1wfs s GLU 32 Cb 0.32 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.67 1wfs s GLU 32 CO 0.03 -0.18 0.83 0.25 0.02 0.00 0.00 175.26 176.20 1wfs n THR 33 N -1.24 0.00 -4.65 3.63 -2.24 -1.26 -5.11 114.28 103.40 1wfs n THR 33 Ca -0.04 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.44 1wfs n THR 33 Cb 0.65 0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 1wfs n THR 33 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1wfs n ASN 34 N 0.00 3.28 -4.72 3.42 6.94 -1.26 -5.07 115.26 117.85 1wfs n ASN 34 Ca 0.00 -3.08 -0.40 0.00 -0.02 0.00 0.00 54.58 51.08 1wfs n ASN 34 Cb 0.64 0.31 -0.04 0.00 -2.36 0.00 0.00 39.78 38.32 1wfs n ASN 34 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1wfs s ASN 35 N -3.68 7.08 0.15 0.53 0.01 -1.26 -4.88 114.94 112.89 1wfs s ASN 35 Ca 0.02 1.30 -0.03 0.00 -0.71 0.00 0.00 52.86 53.45 1wfs s ASN 35 Cb -0.00 -2.45 -0.03 0.00 0.41 0.00 0.00 41.25 39.18 1wfs s ASN 35 CO 0.01 -0.12 0.12 0.00 -1.51 0.00 0.00 177.10 175.60 1wfs s ALA 36 N 0.73 0.72 0.03 0.60 0.00 -1.18 0.19 121.76 122.84 1wfs s ALA 36 Ca 0.40 -1.38 -0.02 0.00 0.00 0.00 0.00 51.96 50.97 1wfs s ALA 36 Cb -0.19 0.93 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 1wfs s ALA 36 CO 0.20 -0.54 0.00 0.00 0.00 0.00 0.00 175.76 175.43 1wfs s ALA 37 N -4.05 0.14 -0.21 0.00 0.00 0.51 -0.19 121.76 117.97 1wfs s ALA 37 Ca 0.25 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.50 1wfs s ALA 37 Cb 0.06 0.19 0.06 0.00 0.00 0.00 0.00 23.12 23.44 1wfs s ALA 37 CO 0.03 -0.23 0.04 0.42 0.00 0.00 0.00 175.76 176.02 1wfs s ILE 38 N -2.16 0.54 -0.39 0.00 1.01 -0.83 -1.89 121.20 117.48 1wfs s ILE 38 Ca -0.09 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 59.73 1wfs s ILE 38 Cb -0.05 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.34 1wfs s ILE 38 CO -0.03 -0.27 0.49 -0.63 0.00 0.00 0.00 174.94 174.49 1wfs s ILE 39 N 1.84 5.03 0.09 2.92 1.01 -0.26 -1.00 121.20 130.83 1wfs s ILE 39 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.68 1wfs s ILE 39 Cb -0.17 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1wfs s ILE 39 CO -0.10 -0.36 -0.02 -0.04 0.00 0.00 0.00 174.94 174.42 1wfs s MET 40 N 2.32 2.47 0.38 2.79 -1.94 -0.23 0.04 119.30 125.12 1wfs s MET 40 Ca 0.16 -0.86 0.04 0.00 -1.71 0.00 0.00 55.69 53.31 1wfs s MET 40 Cb -0.16 -2.49 -0.05 0.00 2.01 0.00 0.00 34.83 34.14 1wfs s MET 40 CO 0.14 0.54 0.07 -1.59 -0.01 0.00 0.00 175.02 174.17 1wfs s LYS 41 N -2.22 1.83 -0.18 2.03 -2.85 -0.23 -1.46 119.74 116.67 1wfs s LYS 41 Ca 0.24 -2.07 0.01 0.00 -1.00 0.00 0.00 55.97 53.15 1wfs s LYS 41 Cb -0.12 -0.92 0.03 0.00 -2.06 0.00 0.00 37.83 34.77 1wfs s LYS 41 CO 0.17 -0.29 -0.13 0.54 0.10 0.00 0.00 175.35 175.73 1wfs s VAL 42 N -3.18 1.68 -0.23 1.79 0.11 -1.26 0.10 120.40 119.40 1wfs s VAL 42 Ca 0.29 -0.85 -0.29 0.00 -2.93 0.00 0.00 61.98 58.19 1wfs s VAL 42 Cb 0.06 -1.64 0.00 0.00 -1.53 0.00 0.00 36.38 33.27 1wfs s VAL 42 CO 0.14 0.34 1.18 -1.81 -3.33 0.00 0.00 175.10 171.62 1wfs s ASP 43 N 1.42 6.93 0.58 3.54 1.11 -0.61 -4.87 116.67 124.76 1wfs s ASP 43 Ca 0.02 1.41 0.36 0.00 0.18 0.00 0.00 52.55 54.52 1wfs s ASP 43 Cb -0.14 -2.54 1.68 0.00 1.07 0.00 0.00 42.92 42.99 1wfs s ASP 43 CO -0.10 -0.82 2.10 0.50 1.18 0.00 0.00 175.17 178.04 1wfs h LYS 44 N 8.21 0.00 0.03 8.23 3.64 -1.96 1.54 116.57 136.25 1wfs h LYS 44 Ca -0.23 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.92 1wfs h LYS 44 Cb 1.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1wfs h LYS 44 CO 1.00 0.02 -0.99 0.22 -2.27 0.00 0.00 179.45 177.43 1wfs h ASP 45 N 0.00 0.33 -0.01 4.20 3.58 -1.97 -3.30 116.42 119.25 1wfs h ASP 45 Ca -0.00 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1wfs h ASP 45 Cb 0.35 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1wfs h ASP 45 CO 0.00 1.13 -0.06 0.54 -2.88 0.00 0.00 179.24 177.97 1wfs n ARG 46 N -3.62 0.97 -4.11 0.28 1.74 -0.91 -5.01 116.66 106.01 1wfs n ARG 46 Ca -0.05 -0.99 -0.35 0.00 -0.77 0.00 0.00 57.85 55.69 1wfs n ARG 46 Cb 0.88 -1.17 -0.03 0.00 -1.02 0.00 0.00 32.46 31.11 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 0.36 -1.18 -3.73 5.56 1.13 0.52 -4.92 117.38 115.13 1wfs n GLN 47 Ca 0.06 0.18 -0.14 0.00 -1.94 0.00 0.00 57.00 55.16 1wfs n GLN 47 Cb 0.26 -3.46 -0.08 0.00 0.11 0.00 0.00 30.24 27.06 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 -7.11 0.69 -0.46 -1.09 0.23 -1.15 -2.94 119.30 107.48 1wfs s MET 48 Ca 0.21 -0.05 -0.28 0.00 -1.03 0.00 0.00 55.69 54.54 1wfs s MET 48 Cb -0.11 0.31 0.03 0.00 -1.53 0.00 0.00 34.83 33.53 1wfs s MET 48 CO 0.96 -0.19 1.07 0.08 -2.03 0.00 0.00 175.02 174.91 1wfs s VAL 49 N -1.14 4.30 -0.03 5.16 1.01 0.42 -1.58 120.40 128.55 1wfs s VAL 49 Ca -0.12 1.12 0.08 0.00 0.00 0.00 0.00 61.98 63.06 1wfs s VAL 49 Cb -0.04 -4.54 -0.02 0.00 0.00 0.00 0.00 36.38 31.77 1wfs s VAL 49 CO 0.05 -0.92 -0.25 0.68 0.00 0.00 0.00 175.10 174.65 1wfs s VAL 50 N 4.20 2.12 0.34 2.92 -7.23 0.28 -1.98 120.40 121.04 1wfs s VAL 50 Ca 0.45 -1.08 -0.25 0.00 -1.81 0.00 0.00 61.98 59.28 1wfs s VAL 50 Cb -0.08 -1.74 -0.14 0.00 0.56 0.00 0.00 36.38 34.98 1wfs s VAL 50 CO 0.29 0.58 0.75 -0.11 -0.31 0.00 0.00 175.10 176.30 1wfs n LEU 51 N 2.49 0.66 -0.03 1.32 7.94 -1.26 -1.06 117.00 127.06 1wfs n LEU 51 Ca -0.16 1.05 -0.05 0.00 -1.11 0.00 0.00 56.01 55.74 1wfs n LEU 51 Cb 0.51 -1.17 -0.02 0.00 0.53 0.00 0.00 43.42 43.27 1wfs n LEU 51 CO 0.23 -2.24 -0.69 1.21 -1.11 0.00 0.00 177.39 174.79 1wfs n GLU 52 N 0.67 0.13 -3.64 1.96 2.13 -0.02 -4.63 120.64 117.24 1wfs n GLU 52 Ca 0.12 0.04 -0.10 0.00 0.66 0.00 0.00 57.16 57.88 1wfs n GLU 52 Cb 0.34 -0.91 -0.04 0.00 0.27 0.00 0.00 31.44 31.11 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 -5.04 -0.30 -0.23 4.31 1.01 0.11 -5.01 116.67 111.52 1wfs s ASP 53 Ca -0.08 -0.33 -0.03 0.00 0.71 0.00 0.00 52.55 52.82 1wfs s ASP 53 Cb 0.03 0.53 0.12 0.00 1.01 0.00 0.00 42.92 44.61 1wfs s ASP 53 CO 0.12 -0.95 0.35 -1.61 0.21 0.00 0.00 175.17 173.29 1wfs s GLU 54 N -3.82 0.31 -0.10 8.23 2.02 -1.26 -1.10 118.70 122.98 1wfs s GLU 54 Ca 0.05 0.55 0.01 0.00 0.02 0.00 0.00 54.97 55.60 1wfs s GLU 54 Cb 0.00 -0.48 -0.02 0.00 0.10 0.00 0.00 34.13 33.73 1wfs s GLU 54 CO -0.09 -0.58 -0.13 -0.51 0.02 0.00 0.00 175.26 173.97 1wfs s LEU 55 N 2.51 2.74 0.37 1.80 1.43 -0.79 -5.01 118.68 121.72 1wfs s LEU 55 Ca 0.10 -0.27 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 1wfs s LEU 55 Cb -0.15 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1wfs s LEU 55 CO -0.14 0.24 0.25 -1.10 0.23 0.00 0.00 176.35 175.82 1wfs s GLN 56 N -0.11 2.48 -1.30 1.70 1.11 -1.26 -0.36 119.66 121.91 1wfs s GLN 56 Ca -0.01 -1.53 -0.26 0.00 0.01 0.00 0.00 55.36 53.57 1wfs s GLN 56 Cb -0.14 -2.27 0.03 0.00 -1.01 0.00 0.00 33.01 29.62 1wfs s GLN 56 CO 0.03 -0.01 0.52 0.27 0.01 0.00 0.00 175.29 176.12 1wfs n ASN 57 N -1.32 -2.86 -4.11 5.90 0.23 0.13 -4.91 115.26 108.32 1wfs n ASN 57 Ca -0.01 -1.29 -0.22 0.00 -0.53 0.00 0.00 54.58 52.53 1wfs n ASN 57 Cb 0.61 -1.72 -0.15 0.00 -2.08 0.00 0.00 39.78 36.45 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 -3.74 1.12 0.73 1.53 -1.16 -0.41 -4.98 121.20 114.29 1wfs s ILE 58 Ca 0.37 -0.60 -0.08 0.00 -0.51 0.00 0.00 60.65 59.83 1wfs s ILE 58 Cb -0.20 -0.93 0.06 0.00 0.61 0.00 0.00 42.46 42.00 1wfs s ILE 58 CO 0.98 0.32 1.06 -0.94 -2.81 0.00 0.00 174.94 173.55 1wfs s SER 59 N -0.29 4.77 0.00 4.50 1.04 -1.26 -4.43 113.70 118.02 1wfs s SER 59 Ca 0.05 0.58 0.12 0.00 0.48 0.00 0.00 55.95 57.18 1wfs s SER 59 Cb -0.06 -1.20 0.73 0.00 0.10 0.00 0.00 66.02 65.59 1wfs s SER 59 CO -0.00 -1.66 1.16 -0.81 0.98 0.00 0.00 173.24 172.90 1wfs n PRO 60 N -3.03 0.49 -0.05 4.02 -0.04 -1.26 -2.15 135.00 132.98 1wfs n PRO 60 Ca 0.08 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.53 1wfs n PRO 60 Cb 0.60 -1.39 -0.15 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.89 0.80 0.05 0.54 1.02 -1.26 -4.17 120.64 116.74 1wfs n GLU 61 Ca 0.09 -0.09 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 1wfs n GLU 61 Cb 0.04 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 29.84 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 0.34 -0.55 3.49 4.39 -1.80 -3.32 114.58 117.12 1wfs h GLU 62 Ca -0.28 -0.57 0.10 0.00 0.34 0.00 0.00 59.36 58.94 1wfs h GLU 62 Cb 1.60 0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 30.39 1wfs h GLU 62 CO 0.02 1.27 0.12 1.25 -1.16 0.00 0.00 179.01 180.51 1wfs h LEU 63 N -0.12 0.01 -1.03 1.33 6.46 -1.76 -0.25 115.31 119.95 1wfs h LEU 63 Ca -0.29 0.10 0.09 0.00 -0.12 0.00 0.00 57.88 57.65 1wfs h LEU 63 Cb 1.91 0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 41.90 1wfs h LEU 63 CO 0.13 0.03 0.64 0.50 -0.62 0.00 0.00 178.44 179.12 1wfs h LYS 64 N 0.25 1.06 -0.41 1.25 3.64 -1.75 -0.76 116.57 119.86 1wfs h LYS 64 Ca 0.28 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 1wfs h LYS 64 Cb 0.39 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1wfs h LYS 64 CO -0.36 0.70 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.18 1wfs h LEU 65 N 1.09 0.89 -1.38 5.20 3.38 -1.21 -2.83 115.31 120.45 1wfs h LEU 65 Ca 0.46 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1wfs h LEU 65 Cb 0.30 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1wfs h LEU 65 CO -0.21 1.10 -0.30 -0.33 0.09 0.00 0.00 178.44 178.80 1wfs h GLU 66 N 0.73 0.00 -7.19 1.13 4.39 -0.08 -3.44 114.58 110.12 1wfs h GLU 66 Ca 0.09 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.27 1wfs h GLU 66 Cb 0.82 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 29.59 1wfs h GLU 66 CO 0.07 0.30 0.38 -0.51 -1.16 0.00 0.00 179.01 178.09 1wfs s LEU 67 N -7.86 3.37 0.00 1.33 1.43 -0.39 -5.04 118.68 111.51 1wfs s LEU 67 Ca -0.02 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 1wfs s LEU 67 Cb 0.14 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.80 1wfs s LEU 67 CO 0.69 -1.80 0.00 -0.81 0.23 0.00 0.00 176.35 174.66 1wfs n PRO 68 N -2.50 0.04 0.00 1.29 -0.04 -1.26 -5.00 135.00 127.52 1wfs n PRO 68 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1wfs n PRO 68 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.72 2.56 -2.12 0.54 0.28 -1.26 -4.84 120.64 115.08 1wfs n GLU 69 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.01 1wfs n GLU 69 Cb 0.00 -0.87 0.03 0.00 1.43 0.00 0.00 31.44 32.04 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 -1.46 0.84 -3.74 3.44 5.12 -1.26 -4.72 116.66 114.88 1wfs n ARG 70 Ca 0.00 -2.44 -0.28 0.00 -1.93 0.00 0.00 57.85 53.20 1wfs n ARG 70 Cb 0.26 -0.57 -0.16 0.00 -1.16 0.00 0.00 32.46 30.83 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 -1.55 0.66 0.20 5.56 -0.21 -1.26 -4.46 119.66 118.60 1wfs s GLN 71 Ca 0.25 -0.43 -0.30 0.00 0.02 0.00 0.00 55.36 54.90 1wfs s GLN 71 Cb 0.33 -2.12 -0.09 0.00 1.00 0.00 0.00 33.01 32.13 1wfs s GLN 71 CO -0.10 -0.64 1.30 -1.25 -2.12 0.00 0.00 175.29 172.48 1wfs s PRO 72 N 1.85 4.40 0.28 2.91 0.04 -1.26 -4.70 135.00 138.52 1wfs s PRO 72 Ca -0.01 2.04 -0.21 0.00 0.04 0.00 0.00 61.00 62.86 1wfs s PRO 72 Cb -0.17 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.21 1wfs s PRO 72 CO -0.08 -0.24 0.77 -0.98 0.04 0.00 0.00 177.00 176.51 1wfs s ARG 73 N -0.15 1.77 0.10 4.56 1.70 -0.83 -4.93 118.95 121.16 1wfs s ARG 73 Ca 0.56 -1.01 -0.01 0.00 -0.47 0.00 0.00 55.73 54.80 1wfs s ARG 73 Cb -0.36 0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 1wfs s ARG 73 CO 0.38 -0.81 0.28 -0.06 -1.08 0.00 0.00 175.30 174.00 1wfs s PHE 74 N -3.56 3.50 -0.18 5.89 0.08 -0.53 -1.84 117.98 121.33 1wfs s PHE 74 Ca 0.12 0.31 -0.08 0.00 0.12 0.00 0.00 56.93 57.40 1wfs s PHE 74 Cb -0.05 -1.81 0.07 0.00 -0.57 0.00 0.00 43.02 40.66 1wfs s PHE 74 CO 0.07 0.52 0.41 0.08 -0.10 0.00 0.00 175.22 176.21 1wfs s VAL 75 N -1.61 -0.31 -0.53 -0.44 1.01 -0.09 -1.07 120.40 117.36 1wfs s VAL 75 Ca 0.37 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.42 1wfs s VAL 75 Cb -0.12 -0.64 0.14 0.00 0.00 0.00 0.00 36.38 35.76 1wfs s VAL 75 CO 0.27 0.05 0.37 -0.69 0.00 0.00 0.00 175.10 175.10 1wfs s VAL 76 N 1.96 3.89 -0.04 2.92 1.01 -0.17 0.95 120.40 130.92 1wfs s VAL 76 Ca -0.06 -2.29 -0.19 0.00 0.00 0.00 0.00 61.98 59.45 1wfs s VAL 76 Cb -0.10 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1wfs s VAL 76 CO -0.13 -0.80 0.53 -0.47 0.00 0.00 0.00 175.10 174.23 1wfs s TYR 77 N 0.76 3.64 -0.48 5.22 5.04 -1.13 -1.97 117.35 128.43 1wfs s TYR 77 Ca 0.11 1.08 -0.03 0.00 -2.44 0.00 0.00 57.07 55.79 1wfs s TYR 77 Cb -0.22 -2.54 0.13 0.00 0.35 0.00 0.00 41.96 39.68 1wfs s TYR 77 CO -0.03 0.34 0.28 0.45 -1.34 0.00 0.00 175.55 175.25 1wfs s SER 78 N -0.09 5.22 0.71 4.32 0.15 0.74 -2.17 113.70 122.58 1wfs s SER 78 Ca 0.28 -2.33 -0.08 0.00 0.70 0.00 0.00 55.95 54.52 1wfs s SER 78 Cb -0.17 -1.83 0.05 0.00 -1.71 0.00 0.00 66.02 62.36 1wfs s SER 78 CO 0.15 -0.48 1.05 -0.47 1.20 0.00 0.00 173.24 174.68 1wfs s TYR 79 N 0.71 3.05 -0.29 3.44 5.04 -1.25 -3.13 117.35 124.93 1wfs s TYR 79 Ca 0.11 0.64 0.03 0.00 -2.44 0.00 0.00 57.07 55.42 1wfs s TYR 79 Cb -0.22 -3.16 0.08 0.00 0.35 0.00 0.00 41.96 39.00 1wfs s TYR 79 CO -0.04 -1.35 -0.03 0.21 -1.34 0.00 0.00 175.55 172.99 1wfs s LYS 80 N -5.30 1.79 -0.15 4.97 2.20 -1.26 -2.58 119.74 119.41 1wfs s LYS 80 Ca 0.59 -1.46 -0.07 0.00 -0.36 0.00 0.00 55.97 54.67 1wfs s LYS 80 Cb -0.11 -2.90 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 1wfs s LYS 80 CO 0.47 -0.73 0.10 -0.47 -0.36 0.00 0.00 175.35 174.36 1wfs s TYR 81 N 1.11 3.41 0.28 4.03 6.14 0.13 -4.96 117.35 127.49 1wfs s TYR 81 Ca -0.00 0.33 0.03 0.00 0.64 0.00 0.00 57.07 58.07 1wfs s TYR 81 Cb -0.19 -2.00 -0.03 0.00 0.42 0.00 0.00 41.96 40.15 1wfs s TYR 81 CO -0.07 0.46 0.43 0.08 0.64 0.00 0.00 175.55 177.09 1wfs s VAL 82 N -0.35 5.17 0.00 3.14 1.01 -1.26 -0.55 120.40 127.55 1wfs s VAL 82 Ca 0.10 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1wfs s VAL 82 Cb -0.12 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1wfs s VAL 82 CO 0.01 -0.41 0.00 1.41 0.00 0.00 0.00 175.10 176.11 1wfs n HIS 83 N -1.56 0.00 0.00 5.22 8.25 0.21 -4.93 115.22 122.41 1wfs n HIS 83 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1wfs n HIS 83 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 1wfs n HIS 83 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1wfs n ASP 84 N 0.00 0.00 0.02 0.41 2.03 -1.26 -4.93 116.55 112.81 1wfs n ASP 84 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 1wfs n ASP 84 Cb 0.00 0.02 0.31 0.00 -0.72 0.00 0.00 41.12 40.72 1wfs n ASP 84 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1wfs n ASP 85 N -1.17 0.08 0.00 1.67 8.00 -1.26 -4.76 116.55 119.11 1wfs n ASP 85 Ca 0.00 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.02 1wfs n ASP 85 Cb 0.00 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 1wfs n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wfs n GLY 86 N -0.14 1.69 3.51 0.44 0.00 -1.26 -5.13 105.19 104.30 1wfs n GLY 86 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 2.42 -0.05 1.61 1.81 -1.26 -5.01 118.95 118.47 1wfs s ARG 87 Ca 0.00 -0.77 -0.02 0.00 -1.72 0.00 0.00 55.73 53.22 1wfs s ARG 87 Cb 0.00 -2.38 0.04 0.00 -0.45 0.00 0.00 34.95 32.16 1wfs s ARG 87 CO 0.00 0.60 0.10 0.54 -0.68 0.00 0.00 175.30 175.86 1wfs s VAL 88 N -0.87 -0.10 0.31 3.52 0.11 -1.26 0.64 120.40 122.75 1wfs s VAL 88 Ca 0.14 0.26 0.11 0.00 -2.93 0.00 0.00 61.98 59.56 1wfs s VAL 88 Cb -0.11 -0.18 -0.06 0.00 -1.53 0.00 0.00 36.38 34.50 1wfs s VAL 88 CO 0.04 0.11 -0.15 -0.44 -3.33 0.00 0.00 175.10 171.32 1wfs s SER 89 N 1.48 3.67 -0.55 3.54 0.01 0.28 -4.96 113.70 117.17 1wfs s SER 89 Ca -0.05 -1.09 -0.06 0.00 1.31 0.00 0.00 55.95 56.07 1wfs s SER 89 Cb -0.12 -0.33 0.14 0.00 0.21 0.00 0.00 66.02 65.92 1wfs s SER 89 CO -0.05 -0.06 0.39 -0.31 0.41 0.00 0.00 173.24 173.63 1wfs s TYR 90 N -2.55 3.49 -0.71 2.43 2.02 -1.26 0.23 117.35 121.00 1wfs s TYR 90 Ca 0.31 -2.36 -0.26 0.00 -0.37 0.00 0.00 57.07 54.39 1wfs s TYR 90 Cb -0.02 -3.34 -0.03 0.00 -0.40 0.00 0.00 41.96 38.17 1wfs s TYR 90 CO 0.16 -0.93 1.89 -1.25 -1.57 0.00 0.00 175.55 173.86 1wfs s PRO 91 N 0.61 2.60 -0.03 -1.71 0.04 -1.07 -4.80 135.00 130.63 1wfs s PRO 91 Ca 0.12 0.31 -0.30 0.00 0.04 0.00 0.00 61.00 61.17 1wfs s PRO 91 Cb -0.21 -4.62 -0.04 0.00 0.04 0.00 0.00 34.50 29.66 1wfs s PRO 91 CO -0.03 -2.96 1.33 -0.51 0.04 0.00 0.00 177.00 174.86 1wfs s LEU 92 N 9.45 4.29 0.32 -3.56 1.02 -1.26 -3.79 118.68 125.16 1wfs s LEU 92 Ca 0.68 1.98 0.08 0.00 0.02 0.00 0.00 54.13 56.89 1wfs s LEU 92 Cb -0.11 -3.56 -0.06 0.00 0.02 0.00 0.00 46.19 42.48 1wfs s LEU 92 CO 0.13 -0.68 -0.06 0.00 0.02 0.00 0.00 176.35 175.76 1wfs s PHE 94 N -2.84 3.38 -0.31 0.00 5.36 -0.76 -2.86 117.98 119.96 1wfs s PHE 94 Ca 0.32 -1.76 -0.17 0.00 -0.96 0.00 0.00 56.93 54.35 1wfs s PHE 94 Cb 0.04 -2.87 -0.02 0.00 -0.34 0.00 0.00 43.02 39.83 1wfs s PHE 94 CO 0.14 -0.86 0.49 0.42 -1.46 0.00 0.00 175.22 173.95 1wfs s ILE 95 N 1.34 5.06 -0.45 3.12 1.01 0.27 -1.26 121.20 130.29 1wfs s ILE 95 Ca 0.03 0.55 -0.16 0.00 0.00 0.00 0.00 60.65 61.06 1wfs s ILE 95 Cb -0.22 -3.87 0.04 0.00 0.01 0.00 0.00 42.46 38.42 1wfs s ILE 95 CO 0.00 -0.05 0.42 0.12 0.00 0.00 0.00 174.94 175.43 1wfs s PHE 96 N 2.30 3.19 -0.96 3.97 5.36 -0.97 -0.91 117.98 129.97 1wfs s PHE 96 Ca 0.19 -0.63 -0.24 0.00 -0.96 0.00 0.00 56.93 55.29 1wfs s PHE 96 Cb -0.16 -3.02 0.04 0.00 -0.34 0.00 0.00 43.02 39.55 1wfs s PHE 96 CO 0.11 -0.76 1.44 0.45 -1.46 0.00 0.00 175.22 175.00 1wfs s SER 97 N 2.18 6.38 -0.37 6.13 0.15 -0.77 -2.56 113.70 124.83 1wfs s SER 97 Ca 0.08 -1.22 0.01 0.00 0.70 0.00 0.00 55.95 55.53 1wfs s SER 97 Cb -0.20 -2.57 0.11 0.00 -1.71 0.00 0.00 66.02 61.66 1wfs s SER 97 CO 0.10 -1.62 0.15 -0.94 1.20 0.00 0.00 173.24 172.13 1wfs s SER 98 N 4.87 4.05 0.94 5.45 1.04 -1.15 -1.97 113.70 126.93 1wfs s SER 98 Ca 0.45 -2.17 0.00 0.00 0.48 0.00 0.00 55.95 54.71 1wfs s SER 98 Cb -0.02 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 64.99 1wfs s SER 98 CO -0.05 -0.35 0.00 -0.81 0.98 0.00 0.00 173.24 173.02 1wfs n PRO 99 N 4.17 -0.90 -0.03 4.02 -0.04 -1.26 -4.16 135.00 136.81 1wfs n PRO 99 Ca 0.03 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 1wfs n PRO 99 Cb 0.39 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.74 1wfs n PRO 99 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1wfs n VAL 100 N -2.39 0.31 1.25 0.52 3.14 -1.24 -4.42 118.33 115.49 1wfs n VAL 100 Ca 0.00 -0.39 0.14 0.00 -2.96 0.00 0.00 64.34 61.13 1wfs n VAL 100 Cb 0.00 -0.11 0.62 0.00 -1.06 0.00 0.00 33.84 33.29 1wfs n VAL 100 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wfs n GLY 101 N 1.89 -1.25 3.38 7.55 0.00 -1.26 -4.89 105.19 110.61 1wfs n GLY 101 Ca -0.09 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.73 3.18 0.42 0.00 1.02 -1.26 -5.00 119.74 113.37 1wfs s LYS 103 Ca 0.69 -0.55 0.29 0.00 0.02 0.00 0.00 55.97 56.42 1wfs s LYS 103 Cb -0.20 -2.90 1.23 0.00 -0.52 0.00 0.00 37.83 35.45 1wfs s LYS 103 CO 0.62 0.59 1.87 -1.00 -0.92 0.00 0.00 175.35 176.51 1wfs h PRO 104 N 3.23 0.00 -0.04 -1.68 0.13 -1.98 -1.51 132.00 130.15 1wfs h PRO 104 Ca -0.46 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.46 1wfs h PRO 104 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1wfs h PRO 104 CO 0.71 0.00 -0.85 0.93 -0.23 0.00 0.00 178.00 178.56 1wfs h GLU 105 N 0.00 0.42 0.00 0.86 5.08 -2.01 -3.25 114.58 115.68 1wfs h GLU 105 Ca 0.00 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 57.92 1wfs h GLU 105 Cb 0.42 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1wfs h GLU 105 CO 0.00 1.05 -0.62 1.96 -1.00 0.00 0.00 179.01 180.40 1wfs h GLN 106 N 0.26 0.00 -0.76 2.33 1.08 -1.93 -3.34 115.11 112.74 1wfs h GLN 106 Ca -0.06 0.00 0.29 0.00 -1.45 0.00 0.00 58.65 57.43 1wfs h GLN 106 Cb 1.46 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.75 1wfs h GLN 106 CO 0.15 0.16 0.29 0.94 -0.95 0.00 0.00 178.83 179.42 1wfs n GLN 107 N -4.59 -0.05 -0.10 1.46 0.00 -0.59 0.23 117.38 113.74 1wfs n GLN 107 Ca -0.11 1.07 -0.10 0.00 -0.00 0.00 0.00 57.00 57.86 1wfs n GLN 107 Cb 0.33 -1.86 -0.02 0.00 0.00 0.00 0.00 30.24 28.68 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 0.47 -1.08 3.69 2.86 -1.74 0.38 114.93 119.52 1wfs h MET 108 Ca 0.59 -0.10 0.29 0.00 -2.06 0.00 0.00 59.70 58.43 1wfs h MET 108 Cb 1.48 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.99 1wfs h MET 108 CO -0.62 0.50 0.71 0.52 1.06 0.00 0.00 176.91 179.08 1wfs h MET 109 N 0.34 0.27 0.06 1.72 2.86 0.28 0.17 114.93 120.63 1wfs h MET 109 Ca 0.10 -0.02 -0.35 0.00 -2.06 0.00 0.00 59.70 57.38 1wfs h MET 109 Cb 0.22 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 1wfs h MET 109 CO -0.01 0.18 -2.03 0.66 1.06 0.00 0.00 176.91 176.77 1wfs n TYR 110 N -4.52 0.87 0.19 -0.22 4.02 -0.99 -3.05 117.16 113.46 1wfs n TYR 110 Ca 0.26 0.23 0.07 0.00 -0.01 0.00 0.00 57.90 58.44 1wfs n TYR 110 Cb 0.98 -1.13 0.58 0.00 -0.02 0.00 0.00 39.34 39.75 1wfs n TYR 110 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wfs h ALA 111 N 0.42 1.91 0.00 -0.72 0.00 0.14 1.40 119.26 122.41 1wfs h ALA 111 Ca -0.42 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.18 1wfs h ALA 111 Cb 2.03 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.73 1wfs h ALA 111 CO 0.05 0.08 -1.78 0.41 0.00 0.00 0.00 179.25 178.01 1wfs n GLY 112 N -1.49 -1.02 0.00 0.00 0.00 0.44 -4.09 105.19 99.04 1wfs n GLY 112 Ca -0.02 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.98 0.63 0.03 1.61 7.64 -0.97 -4.39 113.62 115.19 1wfs n SER 113 Ca -0.18 -0.42 -0.15 0.00 1.01 0.00 0.00 58.87 59.13 1wfs n SER 113 Cb 1.05 0.45 -0.09 0.00 -1.01 0.00 0.00 64.21 64.61 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 0.00 -0.58 -0.95 1.43 3.64 0.17 0.23 116.57 120.51 1wfs h LYS 114 Ca 0.00 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.51 1wfs h LYS 114 Cb 0.51 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.40 1wfs h LYS 114 CO 0.00 -0.39 0.61 -0.91 -2.27 0.00 0.00 179.45 176.49 1wfs h ASN 115 N -0.60 0.90 -0.24 4.20 2.35 -1.82 0.20 115.58 120.56 1wfs h ASN 115 Ca 0.02 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1wfs h ASN 115 Cb 0.66 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1wfs h ASN 115 CO -0.36 0.54 0.15 -0.09 -1.65 0.00 0.00 177.43 176.01 1wfs h ARG 116 N 1.00 0.32 0.09 0.81 9.65 -1.44 0.29 114.38 125.10 1wfs h ARG 116 Ca 0.44 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.28 1wfs h ARG 116 Cb 0.35 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1wfs h ARG 116 CO -0.19 0.25 -0.04 1.25 2.80 0.00 0.00 179.97 184.03 1wfs h LEU 117 N 0.31 -0.10 0.13 3.80 7.12 0.15 -2.82 115.31 123.89 1wfs h LEU 117 Ca 0.09 -0.39 0.01 0.00 0.13 0.00 0.00 57.88 57.72 1wfs h LEU 117 Cb 0.00 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.13 1wfs h LEU 117 CO -0.02 0.36 -0.22 0.58 -0.13 0.00 0.00 178.44 179.01 1wfs h VAL 118 N -0.58 0.51 -1.00 1.05 2.07 -0.61 -1.98 116.25 115.71 1wfs h VAL 118 Ca -0.01 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.73 1wfs h VAL 118 Cb 0.48 0.51 -0.11 0.00 -1.52 0.00 0.00 31.29 30.65 1wfs h VAL 118 CO 0.02 0.00 0.62 1.56 0.02 0.00 0.00 177.57 179.79 1wfs h GLN 119 N -0.42 0.58 -0.57 1.57 4.20 -0.50 0.12 115.11 120.09 1wfs h GLN 119 Ca 0.02 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1wfs h GLN 119 Cb 0.44 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 1wfs h GLN 119 CO -0.11 0.38 0.29 1.15 -0.67 0.00 0.00 178.83 179.87 1wfs h THR 120 N 0.60 1.20 0.00 -0.54 2.02 -1.10 -2.41 112.91 112.68 1wfs h THR 120 Ca 0.59 -0.54 -0.08 0.00 0.77 0.00 0.00 66.41 67.15 1wfs h THR 120 Cb 1.15 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1wfs h THR 120 CO -0.37 0.22 -0.38 0.00 0.37 0.00 0.00 175.52 175.36 1wfs h ALA 121 N 1.12 0.97 -1.22 6.16 0.00 -0.45 -3.46 119.26 122.39 1wfs h ALA 121 Ca 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1wfs h ALA 121 Cb 0.09 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1wfs h ALA 121 CO -0.03 0.47 -0.04 -1.91 0.00 0.00 0.00 179.25 177.75 1wfs n GLU 122 N -3.51 -0.44 -3.12 0.00 2.13 0.06 -4.79 120.64 110.98 1wfs n GLU 122 Ca -0.00 0.05 -0.43 0.00 0.66 0.00 0.00 57.16 57.43 1wfs n GLU 122 Cb 0.52 -2.75 -0.06 0.00 0.27 0.00 0.00 31.44 29.42 1wfs n GLU 122 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1wfs s LEU 123 N -1.31 4.74 0.22 4.31 1.43 -1.20 -4.90 118.68 121.96 1wfs s LEU 123 Ca 0.03 -0.67 0.23 0.00 -1.03 0.00 0.00 54.13 52.69 1wfs s LEU 123 Cb -0.01 -2.56 0.92 0.00 0.03 0.00 0.00 46.19 44.57 1wfs s LEU 123 CO 0.04 -0.87 1.71 1.07 0.23 0.00 0.00 176.35 178.53 1wfs n THR 124 N 5.73 0.77 -3.79 5.49 5.66 -1.26 -4.56 114.28 122.33 1wfs n THR 124 Ca -0.04 0.12 -0.37 0.00 -3.05 0.00 0.00 64.05 60.71 1wfs n THR 124 Cb 0.46 -1.01 -0.13 0.00 -1.55 0.00 0.00 70.33 68.11 1wfs n THR 124 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1wfs s LYS 125 N -3.24 3.29 -0.19 1.09 1.02 -1.26 -5.07 119.74 115.38 1wfs s LYS 125 Ca 0.06 -0.72 -0.00 0.00 0.02 0.00 0.00 55.97 55.33 1wfs s LYS 125 Cb 0.10 -3.29 0.05 0.00 -0.52 0.00 0.00 37.83 34.17 1wfs s LYS 125 CO 0.43 -0.33 -0.06 0.08 -0.92 0.00 0.00 175.35 174.55 1wfs s VAL 126 N 1.52 1.29 0.13 3.17 1.01 -1.26 -1.83 120.40 124.42 1wfs s VAL 126 Ca 0.04 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.24 1wfs s VAL 126 Cb -0.16 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1wfs s VAL 126 CO 0.02 0.07 -0.04 -0.36 0.00 0.00 0.00 175.10 174.78 1wfs s PHE 127 N 1.54 2.83 -0.06 5.22 0.08 -0.39 -4.98 117.98 122.22 1wfs s PHE 127 Ca -0.01 -0.12 0.05 0.00 0.12 0.00 0.00 56.93 56.97 1wfs s PHE 127 Cb -0.16 -1.43 -0.01 0.00 -0.57 0.00 0.00 43.02 40.85 1wfs s PHE 127 CO -0.07 0.48 -0.23 -2.00 -0.10 0.00 0.00 175.22 173.29 1wfs s GLU 128 N -2.51 2.49 -0.14 0.44 2.12 -1.26 -2.28 118.70 117.55 1wfs s GLU 128 Ca 0.25 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 54.74 1wfs s GLU 128 Cb -0.11 -2.07 -0.00 0.00 0.26 0.00 0.00 34.13 32.21 1wfs s GLU 128 CO 0.17 0.33 -0.17 0.96 -0.54 0.00 0.00 175.26 176.01 1wfs s ILE 129 N -0.05 2.60 -0.41 -3.70 -4.36 -1.06 -4.96 121.20 109.26 1wfs s ILE 129 Ca -0.06 -0.80 0.26 0.00 -0.26 0.00 0.00 60.65 59.79 1wfs s ILE 129 Cb -0.14 -2.08 0.30 0.00 1.25 0.00 0.00 42.46 41.79 1wfs s ILE 129 CO 0.04 0.53 1.78 -0.09 0.24 0.00 0.00 174.94 177.43 1wfs h ARG 130 N 7.11 0.00 -1.48 0.37 9.65 -1.88 -3.03 114.38 125.12 1wfs h ARG 130 Ca -0.29 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 58.68 1wfs h ARG 130 Cb 1.20 0.00 -0.26 0.00 -1.39 0.00 0.00 29.97 29.52 1wfs h ARG 130 CO 0.55 0.00 0.58 -0.08 2.80 0.00 0.00 179.97 183.82 1wfs s THR 131 N -3.33 0.00 0.30 0.20 -1.32 -1.26 -3.67 115.64 106.55 1wfs s THR 131 Ca 0.06 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.51 1wfs s THR 131 Cb 0.09 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.52 1wfs s THR 131 CO 0.51 0.00 1.57 0.71 -2.21 0.00 0.00 174.62 175.20 1wfs h THR 132 N 3.06 0.01 -0.91 5.08 1.35 -1.88 0.29 112.91 119.92 1wfs h THR 132 Ca -0.23 -0.00 0.20 0.00 -0.55 0.00 0.00 66.41 65.83 1wfs h THR 132 Cb 1.17 0.01 -0.17 0.00 -1.73 0.00 0.00 68.15 67.43 1wfs h THR 132 CO 0.20 0.00 -0.16 0.47 -0.25 0.00 0.00 175.52 175.78 1wfs n ASP 133 N -5.55 -0.27 -0.25 5.36 9.92 -1.26 0.94 116.55 125.44 1wfs n ASP 133 Ca 0.20 1.55 0.04 0.00 -0.53 0.00 0.00 54.79 56.05 1wfs n ASP 133 Cb 0.65 -0.49 0.14 0.00 -0.64 0.00 0.00 41.12 40.78 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 -0.39 -0.16 -2.24 1.82 -0.83 -3.33 116.42 111.29 1wfs h ASP 134 Ca 0.47 0.19 -0.03 0.00 -0.39 0.00 0.00 57.03 57.27 1wfs h ASP 134 Cb 0.79 0.35 -0.01 0.00 0.68 0.00 0.00 39.33 41.14 1wfs h ASP 134 CO -0.91 -0.18 0.24 -0.11 -1.61 0.00 0.00 179.24 176.67 1wfs n LEU 135 N -5.36 1.00 -4.27 2.28 7.94 0.27 -4.52 117.00 114.34 1wfs n LEU 135 Ca 0.12 -1.89 -0.21 0.00 -1.11 0.00 0.00 56.01 52.92 1wfs n LEU 135 Cb 0.44 -1.52 -0.12 0.00 0.53 0.00 0.00 43.42 42.75 1wfs n LEU 135 CO 0.05 -2.96 -0.48 0.42 -1.11 0.00 0.00 177.39 173.30 1wfs s THR 136 N 13.75 1.55 0.44 1.96 -4.23 -1.25 -4.61 115.64 123.25 1wfs s THR 136 Ca 0.82 -1.63 0.29 0.00 -1.18 0.00 0.00 61.69 59.99 1wfs s THR 136 Cb -0.13 -1.54 0.48 0.00 1.34 0.00 0.00 72.50 72.65 1wfs s THR 136 CO 0.16 -0.23 1.65 -0.08 -0.54 0.00 0.00 174.62 175.58 1wfs h GLU 137 N 3.79 0.13 0.00 3.99 4.81 -1.89 0.17 114.58 125.57 1wfs h GLU 137 Ca -0.43 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1wfs h GLU 137 Cb 1.19 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1wfs h GLU 137 CO 0.45 0.08 -0.00 1.15 -0.73 0.00 0.00 179.01 179.96 1wfs h THR 138 N 0.13 0.00 -0.17 0.32 2.02 -1.95 -2.11 112.91 111.15 1wfs h THR 138 Ca 0.78 -0.99 0.05 0.00 0.77 0.00 0.00 66.41 67.02 1wfs h THR 138 Cb 2.43 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1wfs h THR 138 CO -0.37 0.00 0.59 -0.25 0.37 0.00 0.00 175.52 175.86 1wfs h TRP 139 N -0.99 0.00 0.00 3.16 7.01 -1.51 0.51 115.95 124.13 1wfs h TRP 139 Ca 0.00 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 1wfs h TRP 139 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 1wfs h TRP 139 CO -0.00 0.00 -0.60 1.25 -2.79 0.00 0.00 178.44 176.30 1wfs h LEU 140 N 0.00 0.00 -2.72 0.65 7.12 -0.79 -3.31 115.31 116.26 1wfs h LEU 140 Ca 0.08 -0.12 -0.00 0.00 0.13 0.00 0.00 57.88 57.97 1wfs h LEU 140 Cb 1.26 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.39 1wfs h LEU 140 CO -0.00 0.88 -0.01 0.11 -0.13 0.00 0.00 178.44 179.29 1wfs h LYS 141 N -1.00 0.00 -0.16 1.25 1.57 -0.56 -2.14 116.57 115.54 1wfs h LYS 141 Ca -0.07 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1wfs h LYS 141 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1wfs h LYS 141 CO -0.04 0.01 -0.21 0.93 -0.57 0.00 0.00 179.45 179.56 1wfs h GLU 142 N 0.00 0.43 -0.63 3.15 5.08 -0.19 -0.65 114.58 121.77 1wfs h GLU 142 Ca -0.00 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1wfs h GLU 142 Cb 0.05 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1wfs h GLU 142 CO 0.00 0.83 0.25 0.87 -1.00 0.00 0.00 179.01 179.96 1wfs h LYS 143 N 0.05 0.92 0.19 2.33 1.79 -1.48 -0.49 116.57 119.89 1wfs h LYS 143 Ca 0.02 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1wfs h LYS 143 Cb 0.78 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1wfs h LYS 143 CO 0.05 0.76 -0.09 -0.07 -1.08 0.00 0.00 179.45 179.02 1wfs h LEU 144 N 0.91 -0.21 0.00 2.94 3.38 -1.49 -3.13 115.31 117.70 1wfs h LEU 144 Ca 0.21 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1wfs h LEU 144 Cb 0.18 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1wfs h LEU 144 CO -0.02 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.82 1wfs n ALA 145 N -2.56 -0.00 -2.27 1.53 0.00 -0.25 -4.56 120.51 112.39 1wfs n ALA 145 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 1wfs n ALA 145 Cb 0.26 0.27 -0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.26 -0.77 -3.34 0.00 2.88 -1.15 -5.11 113.62 104.88 1wfs n SER 146 Ca 0.00 -2.06 -0.32 0.00 -1.33 0.00 0.00 58.87 55.16 1wfs n SER 146 Cb 0.00 0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 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 -0.38 -2.30 3.63 0.46 0.00 -0.20 -4.76 105.19 101.64 1wfs n GLY 147 Ca -0.20 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1wfs n GLY 147 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfs s PRO 148 N -0.78 3.79 0.37 1.61 0.04 -1.26 -5.00 135.00 133.77 1wfs s PRO 148 Ca 0.45 1.65 -0.04 0.00 0.04 0.00 0.00 61.00 63.10 1wfs s PRO 148 Cb -0.45 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.01 1wfs s PRO 148 CO 0.50 -1.29 0.63 0.45 0.04 0.00 0.00 177.00 177.33 1wfs s SER 149 N 4.22 6.37 -1.32 6.66 0.15 -1.26 -3.06 113.70 125.46 1wfs s SER 149 Ca 0.71 0.74 -0.08 0.00 0.70 0.00 0.00 55.95 58.02 1wfs s SER 149 Cb -0.25 -2.16 0.13 0.00 -1.71 0.00 0.00 66.02 62.04 1wfs s SER 149 CO 0.29 -0.34 2.10 -0.24 1.20 0.00 0.00 173.24 176.25 1wfs n SER 150 N -1.53 6.06 0.00 5.45 2.88 -1.26 -4.77 113.62 120.45 1wfs n SER 150 Ca -0.01 -3.08 0.00 0.00 -1.33 0.00 0.00 58.87 54.44 1wfs n SER 150 Cb 0.55 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1wfs n SER 150 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42