#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 -6.54 -4.56 1.61 7.64 -1.26 -4.85 113.62 105.67 1wfs n SER 2 Ca 0.00 1.02 -0.50 0.00 1.01 0.00 0.00 58.87 60.40 1wfs n SER 2 Cb 0.00 -3.58 -0.04 0.00 -1.01 0.00 0.00 64.21 59.58 1wfs n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wfs n SER 3 N 1.16 0.98 -0.08 6.43 3.41 -1.26 -4.91 113.62 119.35 1wfs n SER 3 Ca 0.00 1.14 -0.19 0.00 -0.26 0.00 0.00 58.87 59.56 1wfs n SER 3 Cb 0.00 -1.16 -0.12 0.00 -0.26 0.00 0.00 64.21 62.67 1wfs n SER 3 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1wfs h GLY 4 N 3.13 0.03 -4.37 5.00 0.00 -2.11 -3.46 103.07 101.29 1wfs h GLY 4 Ca -0.43 -0.07 -0.53 0.00 0.00 0.00 0.00 47.33 46.31 1wfs h GLY 4 CO 0.68 0.06 0.82 -0.45 0.00 0.00 0.00 176.54 177.65 1wfs s SER 5 N -6.68 6.59 0.00 0.19 0.15 -1.26 -4.86 113.70 107.83 1wfs s SER 5 Ca -0.25 2.69 0.00 0.00 0.70 0.00 0.00 55.95 59.09 1wfs s SER 5 Cb 0.03 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1wfs s SER 5 CO 0.64 -0.78 0.00 -1.20 1.20 0.00 0.00 173.24 173.10 1wfs n SER 6 N 2.86 0.05 0.00 5.45 7.64 -1.26 -5.07 113.62 123.29 1wfs n SER 6 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1wfs n SER 6 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1wfs n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfs n GLY 7 N 1.65 -1.92 0.45 0.23 0.00 -1.26 -5.06 105.19 99.28 1wfs n GLY 7 Ca 0.00 0.89 -0.13 0.00 0.00 0.00 0.00 46.02 46.78 1wfs n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wfs h SER 8 N 0.00 -1.86 -3.98 1.61 0.02 -1.98 -3.47 113.55 103.89 1wfs h SER 8 Ca 0.00 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1wfs h SER 8 Cb 0.00 0.78 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1wfs h SER 8 CO 0.00 -0.38 -0.31 0.47 -1.14 0.00 0.00 176.83 175.47 1wfs n ASP 9 N -5.37 -4.64 -0.71 3.07 8.00 -1.26 -4.89 116.55 110.74 1wfs n ASP 9 Ca -0.03 0.41 0.09 0.00 0.71 0.00 0.00 54.79 55.98 1wfs n ASP 9 Cb 0.33 -2.93 -0.02 0.00 -0.02 0.00 0.00 41.12 38.48 1wfs n ASP 9 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1wfs n SER 10 N -0.11 -4.15 -1.47 -2.24 3.41 -1.26 -5.00 113.62 102.80 1wfs n SER 10 Ca 0.03 0.29 -0.04 0.00 -0.26 0.00 0.00 58.87 58.89 1wfs n SER 10 Cb 0.12 -2.41 -0.02 0.00 -0.26 0.00 0.00 64.21 61.64 1wfs n SER 10 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wfs n LEU 11 N -2.36 0.00 -2.31 1.04 4.77 -1.26 -5.04 117.00 111.84 1wfs n LEU 11 Ca 0.00 -0.67 -0.26 0.00 -0.03 0.00 0.00 56.01 55.05 1wfs n LEU 11 Cb 0.58 0.37 0.01 0.00 -2.33 0.00 0.00 43.42 42.05 1wfs n LEU 11 CO 0.01 -0.11 1.43 0.52 -1.33 0.00 0.00 177.39 177.91 1wfs n VAL 12 N -0.13 3.22 -1.40 4.08 0.31 -1.26 -4.98 118.33 118.17 1wfs n VAL 12 Ca 0.02 -2.68 -0.61 0.00 -0.01 0.00 0.00 64.34 61.06 1wfs n VAL 12 Cb 0.13 -1.40 -0.11 0.00 -0.91 0.00 0.00 33.84 31.56 1wfs n VAL 12 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1wfs n VAL 13 N 0.24 0.00 -4.05 2.52 0.31 -1.26 -4.75 118.33 111.33 1wfs n VAL 13 Ca 0.45 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.57 1wfs n VAL 13 Cb 0.54 -0.48 -0.04 0.00 -0.91 0.00 0.00 33.84 32.95 1wfs n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wfs s GLU 15 N -3.87 1.54 -0.58 0.00 8.01 -1.05 -4.80 118.70 117.96 1wfs s GLU 15 Ca 0.35 -0.48 -0.11 0.00 0.01 0.00 0.00 54.97 54.73 1wfs s GLU 15 Cb -0.07 -2.08 0.15 0.00 -4.31 0.00 0.00 34.13 27.81 1wfs s GLU 15 CO 0.25 -1.70 0.48 0.54 0.01 0.00 0.00 175.26 174.84 1wfs s VAL 16 N -3.46 4.71 0.14 2.63 0.11 -1.26 -0.32 120.40 122.94 1wfs s VAL 16 Ca 0.66 -1.99 -0.19 0.00 -2.93 0.00 0.00 61.98 57.54 1wfs s VAL 16 Cb -0.07 -4.03 -0.11 0.00 -1.53 0.00 0.00 36.38 30.64 1wfs s VAL 16 CO 0.48 -0.87 0.34 -0.67 -3.33 0.00 0.00 175.10 171.05 1wfs n ASP 17 N 4.64 -0.90 -0.02 3.54 -0.08 -0.71 -4.65 116.55 118.37 1wfs n ASP 17 Ca -0.03 0.75 -0.08 0.00 -1.51 0.00 0.00 54.79 53.92 1wfs n ASP 17 Cb 0.41 -0.64 0.08 0.00 2.34 0.00 0.00 41.12 43.32 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 0.65 0.60 0.00 -0.67 0.13 -1.97 -1.37 132.00 129.37 1wfs h PRO 18 Ca -0.19 -0.32 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 1wfs h PRO 18 Cb 0.97 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1wfs h PRO 18 CO 0.38 0.91 -0.24 1.05 -0.23 0.00 0.00 178.00 179.88 1wfs h GLU 19 N 0.49 0.00 0.15 0.86 -0.00 -1.95 -3.09 114.58 111.05 1wfs h GLU 19 Ca 0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 59.36 59.06 1wfs h GLU 19 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.69 1wfs h GLU 19 CO 0.08 0.24 -1.71 1.25 -0.00 0.00 0.00 179.01 178.87 1wfs h LEU 20 N 0.00 0.51 -0.95 3.06 6.46 -1.84 -3.28 115.31 119.26 1wfs h LEU 20 Ca -0.00 -0.91 0.29 0.00 -0.12 0.00 0.00 57.88 57.13 1wfs h LEU 20 Cb 0.60 -0.17 -0.15 0.00 -0.73 0.00 0.00 40.66 40.21 1wfs h LEU 20 CO 0.03 1.76 0.41 0.50 -0.62 0.00 0.00 178.44 180.52 1wfs h LYS 21 N -0.03 0.25 -0.21 1.25 3.64 -1.16 0.40 116.57 120.72 1wfs h LYS 21 Ca -0.35 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 58.80 1wfs h LYS 21 Cb 1.99 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 33.75 1wfs h LYS 21 CO 0.12 0.17 -0.69 0.93 -2.27 0.00 0.00 179.45 177.71 1wfs h GLU 22 N 0.26 0.83 -0.76 1.90 5.08 -1.70 -2.91 114.58 117.28 1wfs h GLU 22 Ca 0.66 -0.61 0.17 0.00 -1.00 0.00 0.00 59.36 58.57 1wfs h GLU 22 Cb 1.44 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 30.68 1wfs h GLU 22 CO -0.64 1.23 0.17 1.15 -1.00 0.00 0.00 179.01 179.92 1wfs h THR 23 N 0.59 0.48 -0.01 1.13 2.02 -0.28 -0.23 112.91 116.62 1wfs h THR 23 Ca -0.03 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1wfs h THR 23 Cb 1.31 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1wfs h THR 23 CO 0.15 0.05 -0.01 -0.07 0.37 0.00 0.00 175.52 176.00 1wfs h LEU 24 N 0.25 0.02 -1.72 2.58 3.38 -1.46 -1.39 115.31 116.97 1wfs h LEU 24 Ca 0.43 -0.52 0.27 0.00 0.09 0.00 0.00 57.88 58.16 1wfs h LEU 24 Cb 0.76 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 1wfs h LEU 24 CO -0.54 0.53 0.69 -0.09 0.09 0.00 0.00 178.44 179.13 1wfs h ARG 25 N -0.49 0.19 0.02 1.13 2.43 -1.11 0.34 114.38 116.88 1wfs h ARG 25 Ca 0.00 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 58.90 1wfs h ARG 25 Cb 0.53 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1wfs h ARG 25 CO 0.00 0.12 -1.39 0.87 -1.51 0.00 0.00 179.97 178.06 1wfs h LYS 26 N 0.19 0.04 -0.55 0.20 1.57 -0.99 -3.27 116.57 113.76 1wfs h LYS 26 Ca 0.52 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 59.19 1wfs h LYS 26 Cb 1.69 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 34.00 1wfs h LYS 26 CO -0.12 0.80 0.21 0.35 -0.57 0.00 0.00 179.45 180.12 1wfs h PHE 27 N 0.01 0.84 0.00 -1.35 3.57 0.78 1.86 116.94 122.65 1wfs h PHE 27 Ca -0.17 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.22 1wfs h PHE 27 Cb 1.91 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.40 1wfs h PHE 27 CO 0.01 0.69 -0.20 0.00 -2.23 0.00 0.00 178.31 176.58 1wfs h ARG 28 N 0.75 0.00 -0.34 1.11 3.08 -1.34 -3.09 114.38 114.55 1wfs h ARG 28 Ca 0.18 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.97 1wfs h ARG 28 Cb 0.21 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 29.96 1wfs h ARG 28 CO -0.01 0.20 -0.84 1.19 -1.07 0.00 0.00 179.97 179.43 1wfs n PHE 29 N -3.51 1.17 -1.10 3.04 3.72 -0.87 -5.09 117.46 114.81 1wfs n PHE 29 Ca -0.01 -1.69 -0.30 0.00 -0.05 0.00 0.00 57.45 55.41 1wfs n PHE 29 Cb 0.36 -0.26 0.15 0.00 -0.94 0.00 0.00 39.48 38.79 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 -2.89 0.99 -0.15 -1.08 1.70 0.63 -4.91 118.95 113.24 1wfs s ARG 30 Ca 0.39 0.86 0.08 0.00 -0.47 0.00 0.00 55.73 56.59 1wfs s ARG 30 Cb 0.38 -1.77 0.50 0.00 -0.57 0.00 0.00 34.95 33.48 1wfs s ARG 30 CO -0.05 -2.44 1.27 1.63 -1.08 0.00 0.00 175.30 174.63 1wfs n LYS 31 N -4.02 3.36 -3.24 3.89 4.76 -1.26 -4.91 118.16 116.73 1wfs n LYS 31 Ca 0.07 -1.92 -0.18 0.00 -2.87 0.00 0.00 58.31 53.41 1wfs n LYS 31 Cb 0.55 -1.97 -0.00 0.00 -1.84 0.00 0.00 35.03 31.77 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 -2.07 2.81 -0.17 1.97 8.01 -1.26 -5.05 118.70 122.93 1wfs s GLU 32 Ca 0.33 -1.27 0.23 0.00 0.01 0.00 0.00 54.97 54.28 1wfs s GLU 32 Cb 0.25 -2.68 0.47 0.00 -4.31 0.00 0.00 34.13 27.87 1wfs s GLU 32 CO 0.10 -0.18 1.14 0.25 0.01 0.00 0.00 175.26 176.58 1wfs n THR 33 N -1.73 0.77 -4.26 3.63 -2.24 -1.26 -5.10 114.28 104.09 1wfs n THR 33 Ca 0.05 -2.14 -0.15 0.00 -2.27 0.00 0.00 64.05 59.53 1wfs n THR 33 Cb 0.59 1.18 -0.09 0.00 -2.10 0.00 0.00 70.33 69.91 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 -3.05 0.88 0.26 3.42 4.22 -1.26 -5.13 114.94 114.28 1wfs s ASN 34 Ca 0.28 -1.50 -0.29 0.00 -2.14 0.00 0.00 52.86 49.21 1wfs s ASN 34 Cb 0.34 0.40 -0.09 0.00 1.28 0.00 0.00 41.25 43.18 1wfs s ASN 34 CO -0.09 -0.89 1.15 0.20 -2.04 0.00 0.00 177.10 175.44 1wfs s ASN 35 N -3.27 7.16 0.08 3.54 0.01 -1.26 -4.87 114.94 116.34 1wfs s ASN 35 Ca 0.38 2.31 -0.12 0.00 -0.71 0.00 0.00 52.86 54.72 1wfs s ASN 35 Cb 0.06 -2.62 0.01 0.00 0.41 0.00 0.00 41.25 39.11 1wfs s ASN 35 CO 0.17 -0.25 0.28 0.00 -1.51 0.00 0.00 177.10 175.79 1wfs s ALA 36 N -0.87 -0.55 0.02 0.60 0.00 -1.18 -0.51 121.76 119.27 1wfs s ALA 36 Ca 0.47 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.20 1wfs s ALA 36 Cb -0.33 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1wfs s ALA 36 CO 0.41 -0.51 -0.09 0.00 0.00 0.00 0.00 175.76 175.57 1wfs s ALA 37 N -3.37 0.75 -0.26 0.00 0.00 -0.03 0.08 121.76 118.94 1wfs s ALA 37 Ca 0.01 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.37 1wfs s ALA 37 Cb 0.02 -0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.11 1wfs s ALA 37 CO -0.08 0.12 -0.00 0.42 0.00 0.00 0.00 175.76 176.21 1wfs s ILE 38 N -0.74 1.41 -0.22 0.00 1.01 -0.85 -1.81 121.20 119.99 1wfs s ILE 38 Ca -0.02 -1.34 -0.21 0.00 0.00 0.00 0.00 60.65 59.09 1wfs s ILE 38 Cb -0.06 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 1wfs s ILE 38 CO 0.00 -0.28 0.65 -0.63 0.00 0.00 0.00 174.94 174.68 1wfs s ILE 39 N 1.42 4.99 0.20 2.92 1.01 0.01 -1.24 121.20 130.51 1wfs s ILE 39 Ca -0.00 1.20 0.10 0.00 0.00 0.00 0.00 60.65 61.95 1wfs s ILE 39 Cb -0.18 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1wfs s ILE 39 CO -0.10 0.06 -0.15 -0.04 0.00 0.00 0.00 174.94 174.71 1wfs s MET 40 N 2.24 1.84 0.36 2.79 -1.94 0.91 0.05 119.30 125.55 1wfs s MET 40 Ca 0.28 -1.42 0.05 0.00 -1.71 0.00 0.00 55.69 52.89 1wfs s MET 40 Cb -0.16 -2.01 -0.03 0.00 2.01 0.00 0.00 34.83 34.65 1wfs s MET 40 CO 0.09 0.41 0.18 -1.59 -0.01 0.00 0.00 175.02 174.10 1wfs s LYS 41 N -2.88 1.80 -0.13 2.03 -2.85 0.26 -1.05 119.74 116.91 1wfs s LYS 41 Ca 0.24 -2.07 -0.00 0.00 -1.00 0.00 0.00 55.97 53.14 1wfs s LYS 41 Cb -0.08 -0.20 0.03 0.00 -2.06 0.00 0.00 37.83 35.52 1wfs s LYS 41 CO 0.13 -0.53 -0.09 0.54 0.10 0.00 0.00 175.35 175.51 1wfs s VAL 42 N -3.38 1.17 -0.12 1.79 0.11 -1.26 0.63 120.40 119.35 1wfs s VAL 42 Ca 0.32 -0.45 -0.30 0.00 -2.93 0.00 0.00 61.98 58.62 1wfs s VAL 42 Cb 0.03 -1.20 -0.02 0.00 -1.53 0.00 0.00 36.38 33.66 1wfs s VAL 42 CO 0.19 0.33 1.13 -1.81 -3.33 0.00 0.00 175.10 171.62 1wfs s ASP 43 N 1.64 7.09 0.27 3.54 1.01 -0.66 -4.90 116.67 124.66 1wfs s ASP 43 Ca 0.04 1.64 0.24 0.00 0.71 0.00 0.00 52.55 55.18 1wfs s ASP 43 Cb -0.13 -2.55 0.99 0.00 1.01 0.00 0.00 42.92 42.24 1wfs s ASP 43 CO -0.09 -0.60 1.73 1.17 0.21 0.00 0.00 175.17 177.60 1wfs n LYS 44 N 5.62 0.21 0.06 8.23 0.00 -1.26 0.65 118.16 131.67 1wfs n LYS 44 Ca 0.11 0.42 -0.22 0.00 0.00 0.00 0.00 58.31 58.62 1wfs n LYS 44 Cb 0.47 -1.89 -0.15 0.00 0.00 0.00 0.00 35.03 33.45 1wfs n LYS 44 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1wfs h ASP 45 N 0.00 0.54 -0.26 3.14 3.58 -1.96 -3.34 116.42 118.11 1wfs h ASP 45 Ca 0.00 -0.91 0.00 0.00 0.42 0.00 0.00 57.03 56.54 1wfs h ASP 45 Cb 0.39 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1wfs h ASP 45 CO 0.00 1.60 0.00 0.54 -2.88 0.00 0.00 179.24 178.50 1wfs n ARG 46 N -3.89 2.27 -4.46 0.28 1.74 -1.13 -4.96 116.66 106.51 1wfs n ARG 46 Ca -0.20 -2.07 -0.40 0.00 -0.77 0.00 0.00 57.85 54.41 1wfs n ARG 46 Cb 0.95 -1.45 -0.08 0.00 -1.02 0.00 0.00 32.46 30.85 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 1.31 -0.75 -4.05 5.56 1.13 0.21 -4.87 117.38 115.92 1wfs n GLN 47 Ca 0.16 0.13 -0.13 0.00 -1.94 0.00 0.00 57.00 55.23 1wfs n GLN 47 Cb 0.56 -4.46 -0.12 0.00 0.11 0.00 0.00 30.24 26.33 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 -7.17 0.47 -0.33 -1.09 0.23 -1.17 -2.52 119.30 107.73 1wfs s MET 48 Ca 0.70 -0.66 -0.28 0.00 -1.03 0.00 0.00 55.69 54.41 1wfs s MET 48 Cb -0.41 -0.22 0.02 0.00 -1.53 0.00 0.00 34.83 32.69 1wfs s MET 48 CO 1.01 0.04 1.05 0.08 -2.03 0.00 0.00 175.02 175.17 1wfs s VAL 49 N -1.25 4.52 0.04 5.16 1.01 0.56 -1.66 120.40 128.79 1wfs s VAL 49 Ca -0.10 1.66 0.08 0.00 0.00 0.00 0.00 61.98 63.62 1wfs s VAL 49 Cb -0.09 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1wfs s VAL 49 CO 0.00 -0.49 -0.23 0.68 0.00 0.00 0.00 175.10 175.06 1wfs s VAL 50 N 3.63 1.84 0.40 2.92 -7.23 0.21 -1.73 120.40 120.44 1wfs s VAL 50 Ca 0.44 -1.26 -0.24 0.00 -1.81 0.00 0.00 61.98 59.12 1wfs s VAL 50 Cb -0.12 -1.58 -0.12 0.00 0.56 0.00 0.00 36.38 35.12 1wfs s VAL 50 CO 0.16 0.28 0.79 -0.11 -0.31 0.00 0.00 175.10 175.90 1wfs n LEU 51 N 1.85 1.25 -0.05 1.32 0.00 -1.26 -0.58 117.00 119.54 1wfs n LEU 51 Ca -0.17 0.99 -0.07 0.00 0.00 0.00 0.00 56.01 56.76 1wfs n LEU 51 Cb 0.53 -1.23 -0.04 0.00 0.00 0.00 0.00 43.42 42.68 1wfs n LEU 51 CO 0.23 -2.16 -0.81 1.21 0.00 0.00 0.00 177.39 175.86 1wfs n GLU 52 N 0.40 0.23 -3.61 1.96 2.13 0.10 -4.58 120.64 117.27 1wfs n GLU 52 Ca 0.11 0.06 -0.07 0.00 0.66 0.00 0.00 57.16 57.92 1wfs n GLU 52 Cb 0.38 -1.11 -0.02 0.00 0.27 0.00 0.00 31.44 30.97 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 -5.13 -0.31 -0.20 4.31 1.01 0.11 -4.99 116.67 111.47 1wfs s ASP 53 Ca -0.13 -0.19 -0.04 0.00 0.71 0.00 0.00 52.55 52.90 1wfs s ASP 53 Cb 0.04 0.47 0.10 0.00 1.01 0.00 0.00 42.92 44.54 1wfs s ASP 53 CO 0.20 -0.81 0.31 -1.61 0.21 0.00 0.00 175.17 173.47 1wfs s GLU 54 N -3.31 0.25 -0.11 8.23 2.02 -1.26 -0.81 118.70 123.71 1wfs s GLU 54 Ca 0.08 0.51 0.04 0.00 0.02 0.00 0.00 54.97 55.61 1wfs s GLU 54 Cb -0.01 -0.56 0.00 0.00 0.10 0.00 0.00 34.13 33.66 1wfs s GLU 54 CO -0.04 -0.54 -0.23 -0.51 0.02 0.00 0.00 175.26 173.96 1wfs s LEU 55 N 2.45 2.08 0.46 1.80 1.43 -0.75 -5.03 118.68 121.12 1wfs s LEU 55 Ca 0.07 -0.56 0.08 0.00 -1.03 0.00 0.00 54.13 52.69 1wfs s LEU 55 Cb -0.15 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.69 1wfs s LEU 55 CO -0.13 0.14 0.47 -1.10 0.23 0.00 0.00 176.35 175.96 1wfs s GLN 56 N 0.46 2.50 -1.14 1.70 1.11 -1.26 -0.85 119.66 122.18 1wfs s GLN 56 Ca -0.16 -1.59 -0.25 0.00 0.01 0.00 0.00 55.36 53.36 1wfs s GLN 56 Cb -0.17 -2.42 0.02 0.00 -1.01 0.00 0.00 33.01 29.42 1wfs s GLN 56 CO 0.06 -0.37 0.73 0.09 0.01 0.00 0.00 175.29 175.81 1wfs n ASN 57 N -1.73 -4.83 -3.86 5.90 3.02 0.33 -4.94 115.26 109.16 1wfs n ASN 57 Ca 0.05 -1.12 -0.14 0.00 -0.03 0.00 0.00 54.58 53.34 1wfs n ASN 57 Cb 0.62 -2.51 -0.15 0.00 -0.61 0.00 0.00 39.78 37.13 1wfs n ASN 57 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1wfs s ILE 58 N -3.44 0.07 0.85 2.41 -1.16 -1.18 -5.04 121.20 113.71 1wfs s ILE 58 Ca 0.44 0.02 -0.12 0.00 -0.51 0.00 0.00 60.65 60.48 1wfs s ILE 58 Cb -0.20 -0.11 0.10 0.00 0.61 0.00 0.00 42.46 42.86 1wfs s ILE 58 CO 0.91 0.05 1.16 -0.44 -2.81 0.00 0.00 174.94 173.82 1wfs s SER 59 N 0.33 4.13 0.00 4.50 0.01 -1.26 -4.54 113.70 116.87 1wfs s SER 59 Ca -0.03 0.86 0.15 0.00 1.31 0.00 0.00 55.95 58.24 1wfs s SER 59 Cb -0.05 -1.39 0.74 0.00 0.21 0.00 0.00 66.02 65.54 1wfs s SER 59 CO -0.01 -2.15 1.40 -0.81 0.41 0.00 0.00 173.24 172.09 1wfs n PRO 60 N -3.49 0.21 -0.06 12.44 -0.04 -1.26 -2.36 135.00 140.44 1wfs n PRO 60 Ca 0.07 0.15 -0.08 0.00 -0.04 0.00 0.00 63.50 63.60 1wfs n PRO 60 Cb 0.60 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.29 0.66 -0.03 0.54 1.02 -1.26 -4.16 120.64 116.12 1wfs n GLU 61 Ca 0.07 0.10 -0.15 0.00 -0.02 0.00 0.00 57.16 57.15 1wfs n GLU 61 Cb 0.12 -1.63 -0.13 0.00 -0.02 0.00 0.00 31.44 29.78 1wfs n GLU 61 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1wfs h GLU 62 N 0.00 0.12 -0.85 3.49 4.22 -1.83 -3.28 114.58 116.44 1wfs h GLU 62 Ca -0.41 -0.16 0.21 0.00 0.08 0.00 0.00 59.36 59.08 1wfs h GLU 62 Cb 2.07 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 31.22 1wfs h GLU 62 CO 0.05 0.99 0.03 1.25 -2.18 0.00 0.00 179.01 179.14 1wfs h LEU 63 N -0.68 -0.38 -1.46 1.64 6.46 -1.73 0.85 115.31 120.02 1wfs h LEU 63 Ca -0.04 0.23 0.02 0.00 -0.12 0.00 0.00 57.88 57.97 1wfs h LEU 63 Cb 1.10 0.39 -0.03 0.00 -0.73 0.00 0.00 40.66 41.39 1wfs h LEU 63 CO 0.05 -0.23 0.38 0.50 -0.62 0.00 0.00 178.44 178.51 1wfs h LYS 64 N 0.08 0.72 0.00 1.25 3.64 -1.75 -0.93 116.57 119.58 1wfs h LYS 64 Ca 0.49 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.72 1wfs h LYS 64 Cb 0.91 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1wfs h LYS 64 CO -0.76 0.47 -0.48 -0.07 -2.27 0.00 0.00 179.45 176.35 1wfs h LEU 65 N 0.74 0.00 -0.27 5.20 -0.00 0.60 -2.83 115.31 118.73 1wfs h LEU 65 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.10 1wfs h LEU 65 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 1wfs h LEU 65 CO -0.05 0.48 0.00 -0.33 -0.00 0.00 0.00 178.44 178.54 1wfs h GLU 66 N 0.00 0.00 -7.13 1.13 5.08 0.26 -3.45 114.58 110.47 1wfs h GLU 66 Ca -0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 1wfs h GLU 66 Cb 1.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.26 1wfs h GLU 66 CO 0.06 0.00 0.33 -0.51 -1.00 0.00 0.00 179.01 177.89 1wfs s LEU 67 N -5.99 3.67 0.00 1.33 1.43 -0.83 -5.08 118.68 113.21 1wfs s LEU 67 Ca 0.06 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 1wfs s LEU 67 Cb 0.07 -4.42 0.00 0.00 0.03 0.00 0.00 46.19 41.86 1wfs s LEU 67 CO 0.63 -0.55 0.00 -0.81 0.23 0.00 0.00 176.35 175.86 1wfs n PRO 68 N -1.50 -0.58 -0.02 1.29 -0.04 -1.26 -5.00 135.00 127.88 1wfs n PRO 68 Ca 0.06 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1wfs n PRO 68 Cb 0.54 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.97 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 -1.18 2.53 -2.65 0.54 0.00 -1.26 -4.79 120.64 113.83 1wfs n GLU 69 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 57.16 57.07 1wfs n GLU 69 Cb 0.00 -1.11 0.03 0.00 0.00 0.00 0.00 31.44 30.36 1wfs n GLU 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1wfs n ARG 70 N -2.28 1.69 -3.51 3.44 5.12 -1.26 -4.74 116.66 115.12 1wfs n ARG 70 Ca -0.08 -3.52 -0.25 0.00 -1.93 0.00 0.00 57.85 52.07 1wfs n ARG 70 Cb 0.63 -1.51 -0.14 0.00 -1.16 0.00 0.00 32.46 30.29 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 -3.37 0.21 0.04 5.56 -0.21 -1.26 -4.54 119.66 116.09 1wfs s GLN 71 Ca 0.31 -0.36 -0.30 0.00 0.02 0.00 0.00 55.36 55.03 1wfs s GLN 71 Cb 0.42 -1.09 -0.06 0.00 1.00 0.00 0.00 33.01 33.27 1wfs s GLN 71 CO -0.01 -0.97 1.42 -1.25 -2.12 0.00 0.00 175.29 172.35 1wfs s PRO 72 N 2.18 4.29 0.37 2.91 0.04 -1.26 -4.73 135.00 138.80 1wfs s PRO 72 Ca 0.08 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.09 1wfs s PRO 72 Cb -0.15 -3.49 0.02 0.00 0.04 0.00 0.00 34.50 30.92 1wfs s PRO 72 CO -0.32 -0.55 0.59 -0.98 0.04 0.00 0.00 177.00 175.78 1wfs s ARG 73 N 2.06 2.08 0.07 4.56 1.70 -1.16 -4.91 118.95 123.36 1wfs s ARG 73 Ca 0.65 -1.71 0.02 0.00 -0.47 0.00 0.00 55.73 54.22 1wfs s ARG 73 Cb -0.33 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 1wfs s ARG 73 CO 0.28 -0.91 0.13 -0.06 -1.08 0.00 0.00 175.30 173.66 1wfs s PHE 74 N -2.66 3.31 -0.18 5.89 0.08 -0.22 -3.23 117.98 120.97 1wfs s PHE 74 Ca 0.26 0.14 -0.09 0.00 0.12 0.00 0.00 56.93 57.36 1wfs s PHE 74 Cb -0.02 -1.67 0.06 0.00 -0.57 0.00 0.00 43.02 40.82 1wfs s PHE 74 CO 0.19 0.55 0.42 0.08 -0.10 0.00 0.00 175.22 176.35 1wfs s VAL 75 N -1.43 -0.12 -0.51 -0.44 1.01 -0.63 -0.06 120.40 118.22 1wfs s VAL 75 Ca 0.31 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 1wfs s VAL 75 Cb -0.12 -0.63 0.13 0.00 0.00 0.00 0.00 36.38 35.76 1wfs s VAL 75 CO 0.24 0.04 0.32 -0.69 0.00 0.00 0.00 175.10 175.01 1wfs s VAL 76 N 1.60 3.53 0.04 2.92 1.01 -0.37 0.29 120.40 129.42 1wfs s VAL 76 Ca -0.08 -2.45 -0.21 0.00 0.00 0.00 0.00 61.98 59.24 1wfs s VAL 76 Cb -0.09 -3.36 -0.06 0.00 0.00 0.00 0.00 36.38 32.87 1wfs s VAL 76 CO -0.13 -0.78 0.62 -0.47 0.00 0.00 0.00 175.10 174.34 1wfs s TYR 77 N 0.61 3.74 -0.47 5.22 5.04 -1.18 -2.02 117.35 128.30 1wfs s TYR 77 Ca 0.12 1.28 -0.01 0.00 -2.44 0.00 0.00 57.07 56.02 1wfs s TYR 77 Cb -0.22 -2.60 0.13 0.00 0.35 0.00 0.00 41.96 39.61 1wfs s TYR 77 CO -0.04 0.43 0.25 0.45 -1.34 0.00 0.00 175.55 175.31 1wfs s SER 78 N -0.54 5.08 0.72 4.32 0.15 0.11 -2.23 113.70 121.30 1wfs s SER 78 Ca 0.31 -2.39 -0.10 0.00 0.70 0.00 0.00 55.95 54.47 1wfs s SER 78 Cb -0.19 -1.79 0.04 0.00 -1.71 0.00 0.00 66.02 62.37 1wfs s SER 78 CO 0.19 -0.44 1.08 -0.47 1.20 0.00 0.00 173.24 174.80 1wfs s TYR 79 N 0.62 3.18 -0.28 3.44 5.04 -1.25 -3.09 117.35 125.00 1wfs s TYR 79 Ca 0.12 0.85 0.03 0.00 -2.44 0.00 0.00 57.07 55.63 1wfs s TYR 79 Cb -0.22 -3.15 0.07 0.00 0.35 0.00 0.00 41.96 39.01 1wfs s TYR 79 CO -0.04 -1.31 -0.06 0.21 -1.34 0.00 0.00 175.55 173.01 1wfs s LYS 80 N -5.35 2.06 -0.16 4.97 2.20 -1.26 -2.44 119.74 119.75 1wfs s LYS 80 Ca 0.59 -1.48 -0.07 0.00 -0.36 0.00 0.00 55.97 54.65 1wfs s LYS 80 Cb -0.11 -2.99 -0.04 0.00 -1.51 0.00 0.00 37.83 33.18 1wfs s LYS 80 CO 0.49 -0.67 0.08 -0.47 -0.36 0.00 0.00 175.35 174.43 1wfs s TYR 81 N 1.06 3.34 0.30 4.03 6.14 0.87 -4.97 117.35 128.13 1wfs s TYR 81 Ca -0.04 0.23 0.00 0.00 0.64 0.00 0.00 57.07 57.91 1wfs s TYR 81 Cb -0.20 -2.02 -0.04 0.00 0.42 0.00 0.00 41.96 40.12 1wfs s TYR 81 CO -0.06 0.35 0.49 0.08 0.64 0.00 0.00 175.55 177.06 1wfs s VAL 82 N -0.11 5.14 0.00 3.14 1.01 -1.26 -0.87 120.40 127.45 1wfs s VAL 82 Ca 0.08 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1wfs s VAL 82 Cb -0.12 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1wfs s VAL 82 CO 0.01 -0.43 0.00 1.41 0.00 0.00 0.00 175.10 176.08 1wfs n HIS 83 N -1.45 0.00 0.01 5.22 8.25 0.22 -4.93 115.22 122.54 1wfs n HIS 83 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1wfs n HIS 83 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.22 0.25 0.41 2.03 -1.26 -4.93 116.55 112.83 1wfs n ASP 84 Ca 0.00 0.15 0.17 0.00 0.52 0.00 0.00 54.79 55.63 1wfs n ASP 84 Cb 0.00 0.38 0.85 0.00 -0.72 0.00 0.00 41.12 41.62 1wfs n ASP 84 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1wfs h ASP 85 N 0.00 0.00 0.00 1.67 5.19 -2.06 -3.43 116.42 117.78 1wfs h ASP 85 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1wfs h ASP 85 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1wfs h ASP 85 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1wfs n GLY 86 N -0.89 0.43 3.78 2.75 0.00 -1.26 -5.14 105.19 104.86 1wfs n GLY 86 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 3.15 -0.07 1.61 1.81 -1.26 -4.99 118.95 119.20 1wfs s ARG 87 Ca 0.00 -0.36 -0.03 0.00 -1.72 0.00 0.00 55.73 53.62 1wfs s ARG 87 Cb 0.00 -2.93 0.04 0.00 -0.45 0.00 0.00 34.95 31.61 1wfs s ARG 87 CO 0.00 0.70 0.13 0.54 -0.68 0.00 0.00 175.30 175.99 1wfs s VAL 88 N -1.05 -0.19 0.20 3.52 0.11 -1.26 0.69 120.40 122.42 1wfs s VAL 88 Ca 0.18 0.35 0.10 0.00 -2.93 0.00 0.00 61.98 59.68 1wfs s VAL 88 Cb -0.12 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 1wfs s VAL 88 CO 0.07 0.15 -0.17 -0.44 -3.33 0.00 0.00 175.10 171.38 1wfs s SER 89 N 2.09 3.81 -0.64 3.54 0.01 -0.05 -4.95 113.70 117.51 1wfs s SER 89 Ca 0.02 -0.76 -0.11 0.00 1.31 0.00 0.00 55.95 56.40 1wfs s SER 89 Cb -0.12 -0.46 0.16 0.00 0.21 0.00 0.00 66.02 65.81 1wfs s SER 89 CO -0.05 0.10 0.54 -0.31 0.41 0.00 0.00 173.24 173.94 1wfs s TYR 90 N -1.79 3.51 -0.66 2.43 2.02 -1.26 -0.09 117.35 121.51 1wfs s TYR 90 Ca 0.24 -1.96 -0.26 0.00 -0.37 0.00 0.00 57.07 54.71 1wfs s TYR 90 Cb -0.08 -3.62 -0.03 0.00 -0.40 0.00 0.00 41.96 37.84 1wfs s TYR 90 CO 0.13 -0.97 1.88 -1.25 -1.57 0.00 0.00 175.55 173.77 1wfs s PRO 91 N 0.72 2.61 0.20 -1.71 0.04 -1.02 -4.79 135.00 131.04 1wfs s PRO 91 Ca 0.12 0.46 -0.30 0.00 0.04 0.00 0.00 61.00 61.32 1wfs s PRO 91 Cb -0.20 -4.51 -0.08 0.00 0.04 0.00 0.00 34.50 29.75 1wfs s PRO 91 CO -0.03 -2.85 1.23 -0.51 0.04 0.00 0.00 177.00 174.87 1wfs s LEU 92 N 9.28 4.44 0.24 -3.56 1.02 -1.26 -3.78 118.68 125.06 1wfs s LEU 92 Ca 0.68 2.30 0.02 0.00 0.02 0.00 0.00 54.13 57.15 1wfs s LEU 92 Cb -0.12 -3.61 -0.05 0.00 0.02 0.00 0.00 46.19 42.43 1wfs s LEU 92 CO 0.17 -0.41 0.04 0.00 0.02 0.00 0.00 176.35 176.17 1wfs s PHE 94 N -3.58 3.41 -0.36 0.00 5.36 -0.91 -3.08 117.98 118.81 1wfs s PHE 94 Ca 0.31 -1.83 -0.19 0.00 -0.96 0.00 0.00 56.93 54.27 1wfs s PHE 94 Cb 0.07 -3.03 0.00 0.00 -0.34 0.00 0.00 43.02 39.72 1wfs s PHE 94 CO 0.10 -0.90 0.54 0.42 -1.46 0.00 0.00 175.22 173.92 1wfs s ILE 95 N 1.33 4.99 -0.46 3.12 1.01 0.14 -1.04 121.20 130.29 1wfs s ILE 95 Ca 0.04 0.32 -0.12 0.00 0.00 0.00 0.00 60.65 60.89 1wfs s ILE 95 Cb -0.23 -4.00 0.09 0.00 0.01 0.00 0.00 42.46 38.33 1wfs s ILE 95 CO -0.00 -0.27 0.35 0.12 0.00 0.00 0.00 174.94 175.14 1wfs s PHE 96 N 2.46 3.31 -0.44 3.97 5.36 -0.91 -1.60 117.98 130.13 1wfs s PHE 96 Ca 0.19 -1.38 -0.27 0.00 -0.96 0.00 0.00 56.93 54.51 1wfs s PHE 96 Cb -0.15 -3.25 0.03 0.00 -0.34 0.00 0.00 43.02 39.30 1wfs s PHE 96 CO 0.14 -0.89 1.00 0.45 -1.46 0.00 0.00 175.22 174.47 1wfs s SER 97 N 2.59 6.60 -0.36 6.13 0.15 -1.20 -2.58 113.70 125.03 1wfs s SER 97 Ca 0.04 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1wfs s SER 97 Cb -0.25 -2.49 0.12 0.00 -1.71 0.00 0.00 66.02 61.69 1wfs s SER 97 CO 0.03 -1.07 0.18 -0.55 1.20 0.00 0.00 173.24 173.02 1wfs s SER 98 N 2.23 3.62 1.23 5.45 0.15 -1.18 -2.97 113.70 122.23 1wfs s SER 98 Ca 0.41 -2.09 -0.19 0.00 0.70 0.00 0.00 55.95 54.79 1wfs s SER 98 Cb -0.10 -0.79 0.28 0.00 -1.71 0.00 0.00 66.02 63.71 1wfs s SER 98 CO 0.26 -0.34 0.99 -0.81 1.20 0.00 0.00 173.24 174.54 1wfs n PRO 99 N 4.23 -2.95 -0.05 5.44 -0.04 -1.26 -4.48 135.00 135.89 1wfs n PRO 99 Ca 0.05 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 1wfs n PRO 99 Cb 0.38 -1.48 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 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 -4.64 0.61 0.30 0.52 3.14 -1.26 -4.36 118.33 112.65 1wfs n VAL 100 Ca 0.14 -0.58 0.15 0.00 -2.96 0.00 0.00 64.34 61.09 1wfs n VAL 100 Cb 0.53 -0.25 0.52 0.00 -1.06 0.00 0.00 33.84 33.58 1wfs n VAL 100 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1wfs h GLY 101 N 3.37 0.00 -0.49 7.55 0.00 -1.95 -3.45 103.07 108.09 1wfs h GLY 101 Ca -0.24 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.91 1wfs h GLY 101 CO 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.47 1wfs s LYS 103 N -3.93 2.61 0.48 0.00 1.02 -1.26 -5.02 119.74 113.64 1wfs s LYS 103 Ca 0.33 -0.90 0.27 0.00 0.02 0.00 0.00 55.97 55.68 1wfs s LYS 103 Cb -0.06 -2.53 1.12 0.00 -0.52 0.00 0.00 37.83 35.84 1wfs s LYS 103 CO 0.28 0.51 1.91 -1.00 -0.92 0.00 0.00 175.35 176.12 1wfs h PRO 104 N 3.02 0.00 0.00 -1.68 0.13 -1.96 -1.48 132.00 130.03 1wfs h PRO 104 Ca -0.47 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 1wfs h PRO 104 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1wfs h PRO 104 CO 0.60 0.16 -0.47 0.93 -0.23 0.00 0.00 178.00 178.99 1wfs h GLU 105 N 0.00 0.00 0.00 0.86 4.39 -2.01 -3.16 114.58 114.66 1wfs h GLU 105 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1wfs h GLU 105 Cb 0.62 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1wfs h GLU 105 CO 0.02 0.47 -0.73 1.04 -1.16 0.00 0.00 179.01 178.66 1wfs n GLN 106 N -3.65 0.48 -0.27 2.33 1.13 -1.06 -3.95 117.38 112.39 1wfs n GLN 106 Ca -0.01 0.42 0.20 0.00 -1.94 0.00 0.00 57.00 55.67 1wfs n GLN 106 Cb 0.55 -1.61 0.38 0.00 0.11 0.00 0.00 30.24 29.67 1wfs n GLN 106 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1wfs n GLN 107 N -4.55 -0.06 -0.08 -1.09 0.00 -0.58 0.18 117.38 111.20 1wfs n GLN 107 Ca -0.11 1.18 -0.10 0.00 -0.00 0.00 0.00 57.00 57.97 1wfs n GLN 107 Cb 0.37 -2.01 -0.03 0.00 0.00 0.00 0.00 30.24 28.57 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 0.40 -1.12 3.69 2.86 -1.75 0.45 114.93 119.45 1wfs h MET 108 Ca 0.61 -0.08 0.31 0.00 -2.06 0.00 0.00 59.70 58.48 1wfs h MET 108 Cb 1.48 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 33.01 1wfs h MET 108 CO -0.70 0.46 0.77 0.52 1.06 0.00 0.00 176.91 179.02 1wfs h MET 109 N 0.26 0.16 0.03 1.72 2.86 0.18 0.23 114.93 120.36 1wfs h MET 109 Ca 0.08 -0.01 -0.36 0.00 -2.06 0.00 0.00 59.70 57.36 1wfs h MET 109 Cb 0.22 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.79 1wfs h MET 109 CO -0.00 0.10 -2.17 0.66 1.06 0.00 0.00 176.91 176.56 1wfs n TYR 110 N -4.39 0.52 0.26 -0.22 4.02 -0.98 -3.29 117.16 113.09 1wfs n TYR 110 Ca 0.26 0.15 0.11 0.00 -0.01 0.00 0.00 57.90 58.40 1wfs n TYR 110 Cb 1.10 -1.08 0.71 0.00 -0.02 0.00 0.00 39.34 40.05 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 0.52 1.50 0.00 -0.72 0.00 0.18 0.76 119.26 121.50 1wfs h ALA 111 Ca -0.47 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.20 1wfs h ALA 111 Cb 2.05 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 1wfs h ALA 111 CO 0.02 0.12 -1.79 0.41 0.00 0.00 0.00 179.25 178.02 1wfs n GLY 112 N -0.99 -1.11 0.24 0.00 0.00 0.62 -4.17 105.19 99.77 1wfs n GLY 112 Ca -0.02 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.65 1.38 0.27 1.61 7.64 -0.97 -4.47 113.62 116.42 1wfs n SER 113 Ca -0.13 -1.12 -0.17 0.00 1.01 0.00 0.00 58.87 58.45 1wfs n SER 113 Cb 0.81 0.59 -0.10 0.00 -1.01 0.00 0.00 64.21 64.51 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 1.17 -0.92 -0.78 1.43 3.64 0.37 -0.10 116.57 121.38 1wfs h LYS 114 Ca 0.00 0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1wfs h LYS 114 Cb 0.61 0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 32.57 1wfs h LYS 114 CO 0.00 -0.61 0.45 -0.91 -2.27 0.00 0.00 179.45 176.11 1wfs h ASN 115 N -0.95 0.66 0.29 4.20 2.35 -1.83 -0.59 115.58 119.71 1wfs h ASN 115 Ca -0.06 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1wfs h ASN 115 Cb 0.84 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 1wfs h ASN 115 CO -0.09 0.40 -0.39 -0.09 -1.65 0.00 0.00 177.43 175.62 1wfs h ARG 116 N 0.78 -0.71 0.67 0.81 9.65 -1.69 0.19 114.38 124.09 1wfs h ARG 116 Ca 0.36 0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 59.26 1wfs h ARG 116 Cb 0.27 0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1wfs h ARG 116 CO -0.21 -0.47 -0.41 1.25 2.80 0.00 0.00 179.97 182.92 1wfs h LEU 117 N -0.73 -1.04 -0.48 3.80 5.85 -0.70 -2.19 115.31 119.81 1wfs h LEU 117 Ca -0.01 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.86 1wfs h LEU 117 Cb 0.69 0.31 -0.10 0.00 0.37 0.00 0.00 40.66 41.92 1wfs h LEU 117 CO -0.12 -0.64 -0.29 0.58 -0.34 0.00 0.00 178.44 177.62 1wfs h VAL 118 N -1.03 0.25 -0.90 1.05 2.07 -1.04 0.25 116.25 116.91 1wfs h VAL 118 Ca -0.09 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.63 1wfs h VAL 118 Cb 0.83 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 1wfs h VAL 118 CO 0.09 0.00 0.59 1.56 0.02 0.00 0.00 177.57 179.83 1wfs h GLN 119 N -0.18 0.44 -0.36 1.57 4.20 -0.50 0.28 115.11 120.55 1wfs h GLN 119 Ca 0.21 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1wfs h GLN 119 Cb 0.52 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1wfs h GLN 119 CO -0.59 0.29 0.12 1.15 -0.67 0.00 0.00 178.83 179.13 1wfs h THR 120 N 0.45 1.21 0.00 -0.54 2.02 0.13 -2.78 112.91 113.40 1wfs h THR 120 Ca 0.47 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 1wfs h THR 120 Cb 1.09 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1wfs h THR 120 CO -0.19 0.24 -0.33 0.00 0.37 0.00 0.00 175.52 175.61 1wfs h ALA 121 N 0.96 0.85 -3.24 6.16 0.00 -0.52 -3.48 119.26 119.99 1wfs h ALA 121 Ca 0.12 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 1wfs h ALA 121 Cb 0.25 -0.05 0.06 0.00 0.00 0.00 0.00 17.79 18.05 1wfs h ALA 121 CO -0.00 0.41 -0.31 -1.91 0.00 0.00 0.00 179.25 177.44 1wfs n GLU 122 N -3.28 -3.59 0.03 0.00 0.00 0.82 -4.86 120.64 109.76 1wfs n GLU 122 Ca 0.01 0.38 -0.12 0.00 0.00 0.00 0.00 57.16 57.43 1wfs n GLU 122 Cb 0.59 -4.04 -0.01 0.00 0.00 0.00 0.00 31.44 27.98 1wfs n GLU 122 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1wfs h LEU 123 N -1.21 0.62 0.00 4.31 3.38 -1.85 -3.47 115.31 117.08 1wfs h LEU 123 Ca -0.26 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1wfs h LEU 123 Cb 1.17 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1wfs h LEU 123 CO 0.25 1.18 0.00 0.41 0.09 0.00 0.00 178.44 180.37 1wfs n THR 124 N -3.85 0.00 -2.18 0.22 -1.04 -1.26 -4.82 114.28 101.34 1wfs n THR 124 Ca -0.05 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.55 1wfs n THR 124 Cb 0.73 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.22 1wfs n THR 124 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1wfs s LYS 125 N 0.00 3.04 -0.13 -2.82 1.02 -1.26 -4.98 119.74 114.60 1wfs s LYS 125 Ca 0.00 0.68 -0.03 0.00 0.02 0.00 0.00 55.97 56.64 1wfs s LYS 125 Cb 0.00 -4.24 -0.03 0.00 -0.52 0.00 0.00 37.83 33.04 1wfs s LYS 125 CO 0.00 -2.24 -0.03 0.08 -0.92 0.00 0.00 175.35 172.24 1wfs s VAL 126 N 7.40 4.02 0.20 3.17 1.01 -1.26 -2.15 120.40 132.79 1wfs s VAL 126 Ca 0.63 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.35 1wfs s VAL 126 Cb -0.14 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1wfs s VAL 126 CO 0.25 0.52 -0.13 -0.36 0.00 0.00 0.00 175.10 175.38 1wfs s PHE 127 N 0.00 1.65 0.03 5.22 0.08 -0.20 -4.97 117.98 119.79 1wfs s PHE 127 Ca 0.01 -0.61 0.01 0.00 0.12 0.00 0.00 56.93 56.46 1wfs s PHE 127 Cb -0.13 -0.79 -0.02 0.00 -0.57 0.00 0.00 43.02 41.51 1wfs s PHE 127 CO 0.02 0.31 -0.05 -2.00 -0.10 0.00 0.00 175.22 173.41 1wfs s GLU 128 N -3.67 0.40 -0.01 0.44 2.12 -1.26 -2.14 118.70 114.58 1wfs s GLU 128 Ca 0.22 -0.66 0.04 0.00 0.36 0.00 0.00 54.97 54.92 1wfs s GLU 128 Cb -0.00 -0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.33 1wfs s GLU 128 CO 0.06 -0.01 -0.12 0.96 -0.54 0.00 0.00 175.26 175.61 1wfs s ILE 129 N -1.41 0.96 -0.74 -3.70 -4.36 -1.06 -4.94 121.20 105.95 1wfs s ILE 129 Ca -0.13 -0.51 0.26 0.00 -0.26 0.00 0.00 60.65 60.00 1wfs s ILE 129 Cb -0.10 -0.81 0.26 0.00 1.25 0.00 0.00 42.46 43.07 1wfs s ILE 129 CO -0.00 0.28 1.78 -1.14 0.24 0.00 0.00 174.94 176.09 1wfs n ARG 130 N 2.85 0.19 -3.64 0.37 3.00 -1.26 -3.07 116.66 115.10 1wfs n ARG 130 Ca -0.14 0.22 -0.06 0.00 -0.00 0.00 0.00 57.85 57.87 1wfs n ARG 130 Cb 0.55 -1.75 -0.07 0.00 0.00 0.00 0.00 32.46 31.20 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 -3.12 0.00 0.27 5.15 -1.32 -1.26 -4.24 115.64 111.12 1wfs s THR 131 Ca 0.10 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.64 1wfs s THR 131 Cb 0.13 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.45 1wfs s THR 131 CO 0.53 0.00 1.31 0.35 -2.21 0.00 0.00 174.62 174.60 1wfs n THR 132 N 1.64 -0.35 -0.32 5.08 -2.24 -1.26 0.92 114.28 117.75 1wfs n THR 132 Ca -0.10 1.79 0.11 0.00 -2.27 0.00 0.00 64.05 63.59 1wfs n THR 132 Cb 0.57 -2.71 0.25 0.00 -2.10 0.00 0.00 70.33 66.34 1wfs n THR 132 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1wfs h ASP 133 N 0.00 -0.45 -0.67 3.42 3.32 -1.95 0.25 116.42 120.34 1wfs h ASP 133 Ca 0.57 0.26 0.13 0.00 0.02 0.00 0.00 57.03 58.01 1wfs h ASP 133 Cb 1.30 0.45 -0.13 0.00 0.22 0.00 0.00 39.33 41.17 1wfs h ASP 133 CO -0.74 -0.30 -0.21 -0.78 -1.72 0.00 0.00 179.24 175.50 1wfs h ASP 134 N 0.05 -0.75 -0.17 6.45 1.82 0.13 -3.34 116.42 120.61 1wfs h ASP 134 Ca 0.54 0.21 -0.09 0.00 -0.39 0.00 0.00 57.03 57.30 1wfs h ASP 134 Cb 1.06 0.46 -0.03 0.00 0.68 0.00 0.00 39.33 41.50 1wfs h ASP 134 CO -0.85 -0.25 0.62 -0.11 -1.61 0.00 0.00 179.24 177.05 1wfs n LEU 135 N -5.46 0.47 -4.15 2.28 7.94 0.89 -4.56 117.00 114.42 1wfs n LEU 135 Ca 0.08 -1.44 -0.19 0.00 -1.11 0.00 0.00 56.01 53.35 1wfs n LEU 135 Cb 0.36 -1.28 -0.13 0.00 0.53 0.00 0.00 43.42 42.90 1wfs n LEU 135 CO 0.02 -2.43 -0.46 0.42 -1.11 0.00 0.00 177.39 173.82 1wfs s THR 136 N 10.05 1.10 0.33 1.96 -4.23 -1.26 -4.56 115.64 119.02 1wfs s THR 136 Ca 0.91 -1.14 0.18 0.00 -1.18 0.00 0.00 61.69 60.46 1wfs s THR 136 Cb -0.28 -1.03 0.32 0.00 1.34 0.00 0.00 72.50 72.85 1wfs s THR 136 CO 0.22 -0.11 1.42 1.21 -0.54 0.00 0.00 174.62 176.82 1wfs n GLU 137 N 1.60 -0.05 0.07 3.99 2.13 -1.26 -0.30 120.64 126.82 1wfs n GLU 137 Ca -0.20 1.24 -0.04 0.00 0.66 0.00 0.00 57.16 58.83 1wfs n GLU 137 Cb 0.54 -2.23 -0.02 0.00 0.27 0.00 0.00 31.44 30.01 1wfs n GLU 137 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1wfs h THR 138 N 0.00 0.00 0.00 6.31 2.02 -1.95 -1.57 112.91 117.72 1wfs h THR 138 Ca 0.76 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1wfs h THR 138 Cb 2.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1wfs h THR 138 CO -0.70 0.00 0.58 -0.25 0.37 0.00 0.00 175.52 175.52 1wfs h TRP 139 N -0.92 0.00 0.00 3.16 7.01 -1.26 0.33 115.95 124.27 1wfs h TRP 139 Ca -0.03 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.95 1wfs h TRP 139 Cb 0.21 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.26 1wfs h TRP 139 CO 0.01 0.00 -0.58 1.25 -2.79 0.00 0.00 178.44 176.33 1wfs h LEU 140 N 0.00 0.00 -2.11 0.65 7.12 -0.68 -3.34 115.31 116.96 1wfs h LEU 140 Ca 0.00 -0.06 0.05 0.00 0.13 0.00 0.00 57.88 58.01 1wfs h LEU 140 Cb 1.15 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.28 1wfs h LEU 140 CO 0.00 0.83 0.15 0.11 -0.13 0.00 0.00 178.44 179.40 1wfs h LYS 141 N -1.00 0.00 -0.36 1.25 1.57 -0.18 -1.74 116.57 116.10 1wfs h LYS 141 Ca -0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1wfs h LYS 141 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1wfs h LYS 141 CO -0.02 0.00 0.16 0.93 -0.57 0.00 0.00 179.45 179.94 1wfs h GLU 142 N 0.00 0.54 -0.74 3.15 5.08 -0.57 0.13 114.58 122.16 1wfs h GLU 142 Ca 0.09 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1wfs h GLU 142 Cb 0.38 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1wfs h GLU 142 CO -0.00 0.51 0.29 0.87 -1.00 0.00 0.00 179.01 179.68 1wfs h LYS 143 N 0.45 1.10 -0.14 2.33 1.79 -1.44 -3.01 116.57 117.66 1wfs h LYS 143 Ca 0.12 -0.19 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 1wfs h LYS 143 Cb 0.16 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1wfs h LYS 143 CO -0.01 0.90 -0.15 -0.07 -1.08 0.00 0.00 179.45 179.03 1wfs h LEU 144 N 1.07 0.37 0.00 2.94 3.38 -1.27 -3.45 115.31 118.35 1wfs h LEU 144 Ca 0.25 -0.49 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 1wfs h LEU 144 Cb 0.21 -0.10 0.05 0.00 0.09 0.00 0.00 40.66 40.91 1wfs h LEU 144 CO -0.02 0.79 -0.04 0.00 0.09 0.00 0.00 178.44 179.26 1wfs n ALA 145 N -2.43 -1.22 -3.08 1.53 0.00 0.42 -5.04 120.51 110.70 1wfs n ALA 145 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1wfs n ALA 145 Cb 0.37 -0.03 -0.00 0.00 0.00 0.00 0.00 19.45 19.78 1wfs n ALA 145 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wfs s SER 146 N -1.84 -1.32 0.00 0.00 0.15 -1.26 -5.00 113.70 104.42 1wfs s SER 146 Ca 0.15 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 56.00 1wfs s SER 146 Cb -0.03 1.70 0.00 0.00 -1.71 0.00 0.00 66.02 65.98 1wfs s SER 146 CO 0.13 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1wfs n GLY 147 N 4.08 5.16 0.00 9.45 0.00 -1.26 -4.98 105.19 117.64 1wfs n GLY 147 Ca 0.11 -2.12 0.04 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.09 0.49 -0.84 1.61 -0.04 -1.26 -4.83 135.00 130.04 1wfs n PRO 148 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 1wfs n PRO 148 Cb 0.00 -1.23 0.15 0.00 -0.04 0.00 0.00 33.50 32.39 1wfs n PRO 148 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wfs s SER 149 N -1.73 3.19 0.20 3.54 1.04 -1.26 -5.04 113.70 113.63 1wfs s SER 149 Ca 0.11 2.21 0.11 0.00 0.48 0.00 0.00 55.95 58.86 1wfs s SER 149 Cb 0.05 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1wfs s SER 149 CO 0.08 -2.93 -0.22 -0.44 0.98 0.00 0.00 173.24 170.71 1wfs s SER 150 N -2.58 3.31 0.00 7.02 0.01 -1.26 -5.17 113.70 115.03 1wfs s SER 150 Ca 0.68 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1wfs s SER 150 Cb -0.24 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.75 1wfs s SER 150 CO 0.56 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.89