#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 2.39 -0.13 1.61 1.04 -1.26 -4.74 113.70 112.60 1wfs s SER 2 Ca 0.00 -1.13 -0.17 0.00 0.48 0.00 0.00 55.95 55.13 1wfs s SER 2 Cb 0.00 -0.10 -0.15 0.00 0.10 0.00 0.00 66.02 65.87 1wfs s SER 2 CO 0.00 -0.33 0.43 0.28 0.98 0.00 0.00 173.24 174.59 1wfs h SER 3 N 2.46 0.00 0.00 7.02 0.02 -2.04 -3.50 113.55 117.51 1wfs h SER 3 Ca -0.39 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 59.99 1wfs h SER 3 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1wfs h SER 3 CO 0.65 0.83 0.00 0.61 -1.14 0.00 0.00 176.83 177.78 1wfs n GLY 4 N 1.66 2.33 0.00 -3.77 0.00 -1.26 -5.11 105.19 99.04 1wfs n GLY 4 Ca -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1wfs n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfs n SER 5 N 0.00 0.00 -3.61 1.61 2.88 -1.26 -5.16 113.62 108.08 1wfs n SER 5 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1wfs n SER 5 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1wfs n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wfs s SER 6 N 0.00 -0.11 0.00 -3.46 1.04 -1.26 -5.18 113.70 104.73 1wfs s SER 6 Ca 0.00 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1wfs s SER 6 Cb 0.00 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1wfs s SER 6 CO 0.00 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1wfs n GLY 7 N 0.06 -0.86 3.29 7.32 0.00 -1.26 -5.08 105.19 108.65 1wfs n GLY 7 Ca 0.01 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 1wfs n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfs s SER 8 N -4.00 -0.22 -0.09 1.61 0.15 -1.26 -5.04 113.70 104.85 1wfs s SER 8 Ca 0.00 -0.05 -0.03 0.00 0.70 0.00 0.00 55.95 56.57 1wfs s SER 8 Cb 0.00 0.39 -0.08 0.00 -1.71 0.00 0.00 66.02 64.61 1wfs s SER 8 CO 0.00 -0.62 2.78 -0.67 1.20 0.00 0.00 173.24 175.94 1wfs n ASP 9 N 0.64 5.57 -3.64 5.45 2.03 -1.26 -4.74 116.55 120.61 1wfs n ASP 9 Ca -0.19 -2.61 -0.07 0.00 0.52 0.00 0.00 54.79 52.44 1wfs n ASP 9 Cb 0.59 -1.26 -0.07 0.00 -0.72 0.00 0.00 41.12 39.66 1wfs n ASP 9 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1wfs s SER 10 N 1.59 -0.80 0.19 1.67 0.01 -1.26 -5.18 113.70 109.91 1wfs s SER 10 Ca 0.39 1.33 0.03 0.00 1.31 0.00 0.00 55.95 59.01 1wfs s SER 10 Cb 0.21 1.33 -0.01 0.00 0.21 0.00 0.00 66.02 67.76 1wfs s SER 10 CO -0.03 -0.21 0.12 0.18 0.41 0.00 0.00 173.24 173.70 1wfs n LEU 11 N 3.88 0.00 -2.41 2.44 4.77 -1.26 -5.05 117.00 119.37 1wfs n LEU 11 Ca -0.19 -1.64 -0.31 0.00 -0.03 0.00 0.00 56.01 53.85 1wfs n LEU 11 Cb 0.58 0.72 0.03 0.00 -2.33 0.00 0.00 43.42 42.43 1wfs n LEU 11 CO -0.00 -0.26 1.45 0.55 -1.33 0.00 0.00 177.39 177.80 1wfs n VAL 12 N -0.40 3.38 -1.23 4.08 3.14 -1.26 -5.01 118.33 121.03 1wfs n VAL 12 Ca 0.01 -3.00 -0.39 0.00 -2.96 0.00 0.00 64.34 58.00 1wfs n VAL 12 Cb 0.32 -1.30 0.01 0.00 -1.06 0.00 0.00 33.84 31.80 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 -0.19 0.15 -4.05 1.55 3.14 -1.26 -4.87 118.33 112.79 1wfs n VAL 13 Ca 0.51 -0.49 -0.03 0.00 -2.96 0.00 0.00 64.34 61.37 1wfs n VAL 13 Cb 0.51 0.00 -0.01 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 -2.17 1.79 -0.77 0.00 -1.05 -1.20 -4.94 118.70 110.36 1wfs s GLU 15 Ca 0.00 -0.97 -0.25 0.00 -0.15 0.00 0.00 54.97 53.59 1wfs s GLU 15 Cb -0.00 -1.85 -0.04 0.00 -0.44 0.00 0.00 34.13 31.80 1wfs s GLU 15 CO 0.00 0.49 1.95 0.54 0.95 0.00 0.00 175.26 179.19 1wfs s VAL 16 N -0.70 3.38 0.15 1.83 0.11 -1.26 -1.81 120.40 122.09 1wfs s VAL 16 Ca 0.10 -0.11 -0.18 0.00 -2.93 0.00 0.00 61.98 58.85 1wfs s VAL 16 Cb -0.09 -3.90 -0.11 0.00 -1.53 0.00 0.00 36.38 30.74 1wfs s VAL 16 CO 0.01 -0.86 0.32 -0.67 -3.33 0.00 0.00 175.10 170.57 1wfs n ASP 17 N 13.77 -0.96 0.10 3.54 -0.08 -1.13 -4.58 116.55 127.21 1wfs n ASP 17 Ca 0.32 0.74 -0.02 0.00 -1.51 0.00 0.00 54.79 54.32 1wfs n ASP 17 Cb 0.49 -0.64 0.21 0.00 2.34 0.00 0.00 41.12 43.52 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 0.63 0.20 0.00 -0.67 0.13 -1.91 -0.09 132.00 130.30 1wfs h PRO 18 Ca -0.20 -0.11 -0.08 0.00 -0.87 0.00 0.00 66.00 64.75 1wfs h PRO 18 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1wfs h PRO 18 CO 0.38 0.63 -0.37 1.05 -0.23 0.00 0.00 178.00 179.46 1wfs h GLU 19 N 0.16 0.00 0.08 0.86 -0.00 -1.96 -3.26 114.58 110.47 1wfs h GLU 19 Ca 0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 59.36 59.06 1wfs h GLU 19 Cb 0.89 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.62 1wfs h GLU 19 CO 0.07 0.37 -1.69 1.25 -0.00 0.00 0.00 179.01 179.01 1wfs h LEU 20 N 0.00 0.26 -0.95 3.06 6.46 -1.83 -3.36 115.31 118.96 1wfs h LEU 20 Ca -0.00 -0.78 0.31 0.00 -0.12 0.00 0.00 57.88 57.28 1wfs h LEU 20 Cb 0.88 -0.09 -0.17 0.00 -0.73 0.00 0.00 40.66 40.55 1wfs h LEU 20 CO 0.05 1.71 0.18 1.17 -0.62 0.00 0.00 178.44 180.93 1wfs n LYS 21 N -3.87 -0.07 -0.09 1.25 4.81 -0.07 0.11 118.16 120.24 1wfs n LYS 21 Ca -0.32 1.38 -0.11 0.00 -0.87 0.00 0.00 58.31 58.40 1wfs n LYS 21 Cb 0.90 -2.28 -0.04 0.00 0.02 0.00 0.00 35.03 33.64 1wfs n LYS 21 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1wfs h GLU 22 N 0.00 0.45 -0.82 1.64 5.08 -1.73 -2.95 114.58 116.25 1wfs h GLU 22 Ca 0.65 -0.12 0.20 0.00 -1.00 0.00 0.00 59.36 59.09 1wfs h GLU 22 Cb 1.50 -0.05 -0.13 0.00 0.50 0.00 0.00 28.75 30.56 1wfs h GLU 22 CO -0.84 0.57 0.13 1.15 -1.00 0.00 0.00 179.01 179.03 1wfs h THR 23 N 0.26 0.34 -0.05 1.13 2.02 0.67 0.32 112.91 117.60 1wfs h THR 23 Ca 0.08 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1wfs h THR 23 Cb 0.34 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1wfs h THR 23 CO 0.01 0.03 0.02 -0.07 0.37 0.00 0.00 175.52 175.88 1wfs h LEU 24 N 0.17 0.07 -1.73 2.58 3.38 -1.35 0.32 115.31 118.76 1wfs h LEU 24 Ca 0.48 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 1wfs h LEU 24 Cb 0.91 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1wfs h LEU 24 CO -0.65 0.19 0.09 -0.09 0.09 0.00 0.00 178.44 178.08 1wfs h ARG 25 N -0.05 0.26 0.05 1.13 2.43 -0.84 -1.59 114.38 115.77 1wfs h ARG 25 Ca 0.02 -0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 1wfs h ARG 25 Cb 0.14 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1wfs h ARG 25 CO -0.00 0.21 -1.14 0.87 -1.51 0.00 0.00 179.97 178.40 1wfs h LYS 26 N 0.27 0.10 -0.49 0.20 1.57 -0.09 -3.19 116.57 114.94 1wfs h LYS 26 Ca 0.07 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 1wfs h LYS 26 Cb 0.04 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1wfs h LYS 26 CO -0.01 1.06 -0.14 0.35 -0.57 0.00 0.00 179.45 180.14 1wfs h PHE 27 N 0.03 1.04 0.00 -1.35 3.57 0.44 0.65 116.94 121.31 1wfs h PHE 27 Ca -0.07 -0.22 -0.08 0.00 3.53 0.00 0.00 57.97 61.13 1wfs h PHE 27 Cb 1.86 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 40.33 1wfs h PHE 27 CO 0.02 1.00 -0.36 0.00 -2.23 0.00 0.00 178.31 176.74 1wfs h ARG 28 N 0.82 0.00 -0.68 1.11 3.08 -1.40 -3.16 114.38 114.15 1wfs h ARG 28 Ca 0.13 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.73 1wfs h ARG 28 Cb 0.68 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.31 1wfs h ARG 28 CO 0.05 0.36 -0.92 1.19 -1.07 0.00 0.00 179.97 179.58 1wfs n PHE 29 N -3.92 2.26 -1.32 3.04 3.72 -1.05 -5.08 117.46 115.12 1wfs n PHE 29 Ca -0.02 -2.23 -0.29 0.00 -0.05 0.00 0.00 57.45 54.86 1wfs n PHE 29 Cb 0.42 -0.30 0.13 0.00 -0.94 0.00 0.00 39.48 38.80 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 -3.66 1.29 -0.45 -1.08 1.70 0.22 -4.92 118.95 112.06 1wfs s ARG 30 Ca 0.43 0.67 0.01 0.00 -0.47 0.00 0.00 55.73 56.37 1wfs s ARG 30 Cb 0.38 -1.82 0.47 0.00 -0.57 0.00 0.00 34.95 33.40 1wfs s ARG 30 CO 0.01 -2.18 1.88 1.63 -1.08 0.00 0.00 175.30 175.56 1wfs n LYS 31 N -3.82 2.18 -4.26 3.89 4.76 -1.26 -4.93 118.16 114.72 1wfs n LYS 31 Ca 0.07 -2.56 -0.29 0.00 -2.87 0.00 0.00 58.31 52.65 1wfs n LYS 31 Cb 0.56 -2.00 -0.03 0.00 -1.84 0.00 0.00 35.03 31.71 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 -2.89 2.23 0.00 1.97 2.02 -1.26 -5.06 118.70 115.71 1wfs s GLU 32 Ca 0.50 -2.20 0.00 0.00 0.02 0.00 0.00 54.97 53.29 1wfs s GLU 32 Cb 0.40 -1.85 0.01 0.00 0.10 0.00 0.00 34.13 32.79 1wfs s GLU 32 CO 0.05 -0.53 0.78 0.25 0.02 0.00 0.00 175.26 175.83 1wfs n THR 33 N -1.57 0.00 -4.71 3.63 -2.24 -1.26 -5.12 114.28 103.01 1wfs n THR 33 Ca -0.10 -0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.35 1wfs n THR 33 Cb 0.65 0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 69.10 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 0.01 2.86 -4.75 3.42 6.94 -1.26 -5.07 115.26 117.41 1wfs n ASN 34 Ca -0.00 -3.26 -0.40 0.00 -0.02 0.00 0.00 54.58 50.89 1wfs n ASN 34 Cb 0.62 0.55 -0.05 0.00 -2.36 0.00 0.00 39.78 38.53 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 -3.78 7.47 0.07 0.53 0.01 -1.26 -4.90 114.94 113.08 1wfs s ASN 35 Ca 0.06 1.75 -0.13 0.00 -0.71 0.00 0.00 52.86 53.83 1wfs s ASN 35 Cb 0.00 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 39.12 1wfs s ASN 35 CO 0.04 0.08 0.29 0.00 -1.51 0.00 0.00 177.10 175.99 1wfs s ALA 36 N -0.61 -0.61 0.09 0.60 0.00 -1.16 0.04 121.76 120.10 1wfs s ALA 36 Ca 0.41 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.25 1wfs s ALA 36 Cb -0.24 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1wfs s ALA 36 CO 0.29 -0.47 -0.09 0.00 0.00 0.00 0.00 175.76 175.48 1wfs s ALA 37 N -3.03 1.00 -0.23 0.00 0.00 0.56 0.34 121.76 120.40 1wfs s ALA 37 Ca -0.02 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 50.79 1wfs s ALA 37 Cb 0.01 0.04 0.07 0.00 0.00 0.00 0.00 23.12 23.24 1wfs s ALA 37 CO -0.06 -0.05 0.07 0.42 0.00 0.00 0.00 175.76 176.14 1wfs s ILE 38 N -2.36 0.37 -0.26 0.00 1.01 -0.96 -1.64 121.20 117.35 1wfs s ILE 38 Ca 0.03 -0.66 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 1wfs s ILE 38 Cb -0.03 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 1wfs s ILE 38 CO -0.00 -0.39 0.63 -0.63 0.00 0.00 0.00 174.94 174.55 1wfs s ILE 39 N 1.91 4.97 0.04 2.92 1.01 0.19 -1.55 121.20 130.70 1wfs s ILE 39 Ca 0.03 1.08 0.06 0.00 0.00 0.00 0.00 60.65 61.82 1wfs s ILE 39 Cb -0.17 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 1wfs s ILE 39 CO -0.16 -0.01 -0.13 -0.04 0.00 0.00 0.00 174.94 174.61 1wfs s MET 40 N 2.53 2.24 0.46 2.79 -1.94 0.48 0.60 119.30 126.46 1wfs s MET 40 Ca 0.26 -0.91 0.03 0.00 -1.71 0.00 0.00 55.69 53.36 1wfs s MET 40 Cb -0.15 -2.32 -0.03 0.00 2.01 0.00 0.00 34.83 34.34 1wfs s MET 40 CO 0.09 0.55 0.04 -1.59 -0.01 0.00 0.00 175.02 174.11 1wfs s LYS 41 N -1.61 2.06 -0.26 2.03 -2.85 0.64 -1.68 119.74 118.07 1wfs s LYS 41 Ca 0.17 -2.28 0.01 0.00 -1.00 0.00 0.00 55.97 52.87 1wfs s LYS 41 Cb -0.11 -1.25 0.07 0.00 -2.06 0.00 0.00 37.83 34.49 1wfs s LYS 41 CO 0.08 -0.35 -0.01 0.54 0.10 0.00 0.00 175.35 175.71 1wfs s VAL 42 N -2.98 1.47 0.04 1.79 0.11 -1.26 0.12 120.40 119.69 1wfs s VAL 42 Ca 0.16 -1.37 -0.30 0.00 -2.93 0.00 0.00 61.98 57.54 1wfs s VAL 42 Cb 0.03 -1.85 -0.08 0.00 -1.53 0.00 0.00 36.38 32.95 1wfs s VAL 42 CO 0.09 -0.27 1.85 -1.81 -3.33 0.00 0.00 175.10 171.63 1wfs s ASP 43 N 1.39 6.50 0.00 3.54 1.01 -0.92 -4.84 116.67 123.35 1wfs s ASP 43 Ca -0.01 2.58 0.23 0.00 0.71 0.00 0.00 52.55 56.07 1wfs s ASP 43 Cb -0.19 -2.54 1.39 0.00 1.01 0.00 0.00 42.92 42.59 1wfs s ASP 43 CO -0.10 -1.00 1.76 1.17 0.21 0.00 0.00 175.17 177.21 1wfs n LYS 44 N 6.94 0.75 -0.08 8.23 0.00 -1.26 0.45 118.16 133.19 1wfs n LYS 44 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.43 1wfs n LYS 44 Cb 0.41 -1.49 -0.14 0.00 0.00 0.00 0.00 35.03 33.81 1wfs n LYS 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1wfs n ASP 45 N -0.99 0.63 -0.17 3.14 2.03 -1.26 -4.51 116.55 115.43 1wfs n ASP 45 Ca 0.17 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.52 1wfs n ASP 45 Cb 0.08 1.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.53 1wfs n ASP 45 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wfs n ARG 46 N -2.60 1.93 -3.91 -0.67 1.74 -1.09 -5.02 116.66 107.03 1wfs n ARG 46 Ca -0.26 -0.55 -0.32 0.00 -0.77 0.00 0.00 57.85 55.95 1wfs n ARG 46 Cb 1.01 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.46 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 -0.21 -1.74 -3.74 5.56 1.13 0.17 -4.94 117.38 113.60 1wfs n GLN 47 Ca 0.03 0.33 -0.13 0.00 -1.94 0.00 0.00 57.00 55.29 1wfs n GLN 47 Cb 0.14 -3.91 -0.10 0.00 0.11 0.00 0.00 30.24 26.48 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 -6.60 0.43 -0.65 -1.09 0.23 -1.22 -3.24 119.30 107.16 1wfs s MET 48 Ca 0.27 0.53 -0.27 0.00 -1.03 0.00 0.00 55.69 55.19 1wfs s MET 48 Cb -0.11 0.19 0.00 0.00 -1.53 0.00 0.00 34.83 33.38 1wfs s MET 48 CO 0.91 -0.06 1.59 0.08 -2.03 0.00 0.00 175.02 175.50 1wfs s VAL 49 N 0.29 3.54 -0.02 5.16 1.01 -0.75 -2.17 120.40 127.46 1wfs s VAL 49 Ca -0.01 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1wfs s VAL 49 Cb -0.03 -4.37 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1wfs s VAL 49 CO -0.00 -1.30 -0.07 0.68 0.00 0.00 0.00 175.10 174.40 1wfs s VAL 50 N 7.44 3.65 0.40 2.92 -7.23 0.33 -2.83 120.40 125.08 1wfs s VAL 50 Ca 0.53 -0.70 -0.23 0.00 -1.81 0.00 0.00 61.98 59.78 1wfs s VAL 50 Cb -0.11 -2.56 -0.13 0.00 0.56 0.00 0.00 36.38 34.14 1wfs s VAL 50 CO 0.19 0.45 0.48 -0.11 -0.31 0.00 0.00 175.10 175.80 1wfs n LEU 51 N 1.74 -0.56 -0.01 1.32 0.00 -1.26 -0.26 117.00 117.97 1wfs n LEU 51 Ca -0.16 0.92 -0.01 0.00 0.00 0.00 0.00 56.01 56.75 1wfs n LEU 51 Cb 0.53 -1.07 -0.01 0.00 0.00 0.00 0.00 43.42 42.87 1wfs n LEU 51 CO 0.30 -3.08 -0.56 1.21 0.00 0.00 0.00 177.39 175.25 1wfs n GLU 52 N 0.76 1.05 -3.57 1.96 4.07 0.20 -4.50 120.64 120.61 1wfs n GLU 52 Ca 0.12 0.01 -0.08 0.00 -0.06 0.00 0.00 57.16 57.15 1wfs n GLU 52 Cb 0.38 -1.04 -0.02 0.00 -0.06 0.00 0.00 31.44 30.70 1wfs n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1wfs s ASP 53 N -3.93 -0.34 -0.20 4.31 1.01 0.12 -4.99 116.67 112.64 1wfs s ASP 53 Ca -0.02 -0.13 -0.04 0.00 0.71 0.00 0.00 52.55 53.07 1wfs s ASP 53 Cb 0.01 0.46 0.10 0.00 1.01 0.00 0.00 42.92 44.50 1wfs s ASP 53 CO 0.05 -0.78 0.29 -1.61 0.21 0.00 0.00 175.17 173.33 1wfs s GLU 54 N -3.29 0.24 -0.11 8.23 2.02 -1.26 -0.64 118.70 123.88 1wfs s GLU 54 Ca 0.06 0.43 -0.01 0.00 0.02 0.00 0.00 54.97 55.47 1wfs s GLU 54 Cb -0.01 -0.73 -0.03 0.00 0.10 0.00 0.00 34.13 33.46 1wfs s GLU 54 CO -0.06 -0.58 -0.06 -0.51 0.02 0.00 0.00 175.26 174.07 1wfs s LEU 55 N 2.42 3.15 0.28 1.80 1.43 -0.65 -5.00 118.68 122.10 1wfs s LEU 55 Ca 0.08 -0.10 0.10 0.00 -1.03 0.00 0.00 54.13 53.18 1wfs s LEU 55 Cb -0.15 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 1wfs s LEU 55 CO -0.13 0.26 -0.04 -1.10 0.23 0.00 0.00 176.35 175.57 1wfs s GLN 56 N -0.20 2.14 -1.35 1.70 1.11 -1.26 -0.32 119.66 121.47 1wfs s GLN 56 Ca 0.03 -1.53 -0.08 0.00 0.01 0.00 0.00 55.36 53.78 1wfs s GLN 56 Cb -0.13 -2.05 0.00 0.00 -1.01 0.00 0.00 33.01 29.82 1wfs s GLN 56 CO 0.03 0.32 0.46 0.09 0.01 0.00 0.00 175.29 176.20 1wfs n ASN 57 N -0.85 -1.50 -4.16 5.90 3.02 0.11 -4.94 115.26 112.83 1wfs n ASN 57 Ca -0.06 -1.08 -0.24 0.00 -0.03 0.00 0.00 54.58 53.17 1wfs n ASN 57 Cb 0.60 -2.75 -0.15 0.00 -0.61 0.00 0.00 39.78 36.87 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 -3.88 1.34 0.70 2.41 -1.16 -1.09 -5.00 121.20 114.53 1wfs s ILE 58 Ca 0.15 -0.76 -0.07 0.00 -0.51 0.00 0.00 60.65 59.45 1wfs s ILE 58 Cb -0.06 -1.12 0.06 0.00 0.61 0.00 0.00 42.46 41.94 1wfs s ILE 58 CO 0.91 0.35 1.03 -0.44 -2.81 0.00 0.00 174.94 173.97 1wfs s SER 59 N -0.48 4.89 0.00 4.50 0.01 -1.26 -4.52 113.70 116.84 1wfs s SER 59 Ca 0.06 0.55 0.12 0.00 1.31 0.00 0.00 55.95 57.99 1wfs s SER 59 Cb -0.07 -1.23 0.70 0.00 0.21 0.00 0.00 66.02 65.64 1wfs s SER 59 CO -0.00 -1.57 1.13 -0.81 0.41 0.00 0.00 173.24 172.40 1wfs n PRO 60 N -2.94 0.49 -0.04 12.44 -0.04 -1.26 -2.08 135.00 141.57 1wfs n PRO 60 Ca 0.08 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 1wfs n PRO 60 Cb 0.60 -1.38 -0.15 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.88 0.75 -0.00 0.54 1.02 -1.26 -4.07 120.64 116.74 1wfs n GLU 61 Ca 0.09 -0.12 -0.21 0.00 -0.02 0.00 0.00 57.16 56.90 1wfs n GLU 61 Cb 0.04 -1.46 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 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 0.22 -0.46 3.49 3.07 -1.79 -3.35 114.58 115.76 1wfs h GLU 62 Ca -0.17 -0.37 0.09 0.00 -0.50 0.00 0.00 59.36 58.41 1wfs h GLU 62 Cb 1.32 0.14 -0.08 0.00 -0.84 0.00 0.00 28.75 29.28 1wfs h GLU 62 CO 0.01 1.18 -0.07 1.25 -1.40 0.00 0.00 179.01 179.97 1wfs h LEU 63 N -0.34 -0.34 -1.70 1.33 6.46 -1.76 0.14 115.31 119.10 1wfs h LEU 63 Ca -0.32 0.13 0.19 0.00 -0.12 0.00 0.00 57.88 57.76 1wfs h LEU 63 Cb 1.74 0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 41.87 1wfs h LEU 63 CO 0.03 -0.12 0.54 0.50 -0.62 0.00 0.00 178.44 178.77 1wfs h LYS 64 N 0.04 0.26 -0.07 1.25 3.64 -1.75 0.35 116.57 120.28 1wfs h LYS 64 Ca 0.22 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.35 1wfs h LYS 64 Cb 0.34 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1wfs h LYS 64 CO -0.44 0.17 -0.91 -0.07 -2.27 0.00 0.00 179.45 175.94 1wfs h LEU 65 N 0.27 0.89 -1.75 5.20 3.38 -0.91 -3.13 115.31 119.27 1wfs h LEU 65 Ca 0.40 -0.65 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1wfs h LEU 65 Cb 1.15 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1wfs h LEU 65 CO -0.10 1.45 -0.14 -0.33 0.09 0.00 0.00 178.44 179.40 1wfs h GLU 66 N 0.45 0.00 -7.00 1.13 4.39 0.13 -3.43 114.58 110.25 1wfs h GLU 66 Ca -0.09 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.15 1wfs h GLU 66 Cb 1.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.19 1wfs h GLU 66 CO 0.18 0.14 0.36 -0.51 -1.16 0.00 0.00 179.01 178.02 1wfs s LEU 67 N -7.13 4.07 0.00 1.33 1.43 -0.52 -5.06 118.68 112.80 1wfs s LEU 67 Ca -0.02 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 1wfs s LEU 67 Cb 0.12 -4.34 0.00 0.00 0.03 0.00 0.00 46.19 42.01 1wfs s LEU 67 CO 0.59 -0.34 0.00 -0.81 0.23 0.00 0.00 176.35 176.02 1wfs n PRO 68 N -0.25 -1.00 0.00 1.29 -0.04 -1.26 -4.98 135.00 128.77 1wfs n PRO 68 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 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 -1.49 3.82 -0.52 0.54 0.00 -1.26 -4.78 120.64 116.95 1wfs n GLU 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1wfs n GLU 69 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 31.44 30.91 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 -0.83 0.00 -3.90 3.44 1.74 -1.26 -4.25 116.66 111.60 1wfs n ARG 70 Ca 0.00 -0.87 -0.30 0.00 -0.77 0.00 0.00 57.85 55.90 1wfs n ARG 70 Cb 0.00 -0.42 -0.15 0.00 -1.02 0.00 0.00 32.46 30.87 1wfs n ARG 70 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1wfs s GLN 71 N 0.00 1.35 0.24 5.56 -0.21 -1.26 -4.08 119.66 121.26 1wfs s GLN 71 Ca 0.01 -1.13 -0.30 0.00 0.02 0.00 0.00 55.36 53.96 1wfs s GLN 71 Cb 0.01 -2.54 -0.09 0.00 1.00 0.00 0.00 33.01 31.38 1wfs s GLN 71 CO -0.00 -0.74 1.28 -1.25 -2.12 0.00 0.00 175.29 172.45 1wfs s PRO 72 N 1.38 4.42 0.17 2.91 0.04 -1.26 -4.64 135.00 138.01 1wfs s PRO 72 Ca 0.01 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 62.86 1wfs s PRO 72 Cb -0.18 -3.17 0.06 0.00 0.04 0.00 0.00 34.50 31.25 1wfs s PRO 72 CO -0.11 -0.17 0.84 -0.98 0.04 0.00 0.00 177.00 176.62 1wfs s ARG 73 N -0.68 1.32 0.13 4.56 1.70 -0.98 -4.94 118.95 120.06 1wfs s ARG 73 Ca 0.53 -0.68 -0.02 0.00 -0.47 0.00 0.00 55.73 55.10 1wfs s ARG 73 Cb -0.36 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.45 1wfs s ARG 73 CO 0.42 -0.60 0.32 -0.06 -1.08 0.00 0.00 175.30 174.30 1wfs s PHE 74 N -3.50 3.49 -0.18 5.89 0.08 -0.68 -1.91 117.98 121.17 1wfs s PHE 74 Ca 0.09 0.37 -0.12 0.00 0.12 0.00 0.00 56.93 57.39 1wfs s PHE 74 Cb -0.03 -1.86 0.06 0.00 -0.57 0.00 0.00 43.02 40.62 1wfs s PHE 74 CO 0.00 0.48 0.46 0.08 -0.10 0.00 0.00 175.22 176.14 1wfs s VAL 75 N -1.67 -0.02 -0.49 -0.44 1.01 -0.15 -0.39 120.40 118.26 1wfs s VAL 75 Ca 0.38 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 1wfs s VAL 75 Cb -0.12 -0.67 0.13 0.00 0.00 0.00 0.00 36.38 35.72 1wfs s VAL 75 CO 0.27 0.02 0.29 -0.69 0.00 0.00 0.00 175.10 175.00 1wfs s VAL 76 N 1.15 3.41 0.09 2.92 1.01 -0.59 0.47 120.40 128.86 1wfs s VAL 76 Ca -0.07 -2.45 -0.22 0.00 0.00 0.00 0.00 61.98 59.24 1wfs s VAL 76 Cb -0.07 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.95 1wfs s VAL 76 CO -0.10 -0.77 0.66 -0.47 0.00 0.00 0.00 175.10 174.42 1wfs s TYR 77 N 0.63 3.81 -0.44 5.22 5.04 -1.19 -2.28 117.35 128.15 1wfs s TYR 77 Ca 0.12 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.14 1wfs s TYR 77 Cb -0.22 -2.63 0.12 0.00 0.35 0.00 0.00 41.96 39.58 1wfs s TYR 77 CO -0.04 0.50 0.20 0.45 -1.34 0.00 0.00 175.55 175.33 1wfs s SER 78 N -0.88 4.98 0.56 4.32 0.15 0.15 -2.42 113.70 120.56 1wfs s SER 78 Ca 0.32 -2.33 -0.05 0.00 0.70 0.00 0.00 55.95 54.59 1wfs s SER 78 Cb -0.21 -1.75 -0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1wfs s SER 78 CO 0.21 -0.43 0.87 -0.47 1.20 0.00 0.00 173.24 174.63 1wfs s TYR 79 N 0.69 3.31 -0.28 3.44 5.04 -1.25 -2.98 117.35 125.31 1wfs s TYR 79 Ca 0.12 0.65 -0.00 0.00 -2.44 0.00 0.00 57.07 55.40 1wfs s TYR 79 Cb -0.22 -2.64 0.05 0.00 0.35 0.00 0.00 41.96 39.51 1wfs s TYR 79 CO -0.05 -0.70 -0.04 0.21 -1.34 0.00 0.00 175.55 173.63 1wfs s LYS 80 N -4.92 2.38 -0.17 4.97 2.20 -1.26 -2.51 119.74 120.43 1wfs s LYS 80 Ca 0.52 -1.28 -0.06 0.00 -0.36 0.00 0.00 55.97 54.80 1wfs s LYS 80 Cb -0.10 -3.08 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 1wfs s LYS 80 CO 0.45 -0.59 0.02 -0.47 -0.36 0.00 0.00 175.35 174.39 1wfs s TYR 81 N 1.21 3.16 0.44 4.03 6.14 0.22 -4.97 117.35 127.58 1wfs s TYR 81 Ca -0.06 -0.07 -0.00 0.00 0.64 0.00 0.00 57.07 57.58 1wfs s TYR 81 Cb -0.20 -2.02 -0.01 0.00 0.42 0.00 0.00 41.96 40.15 1wfs s TYR 81 CO -0.02 0.09 0.67 0.08 0.64 0.00 0.00 175.55 177.01 1wfs s VAL 82 N 0.31 4.21 0.00 3.14 1.01 -1.26 -0.47 120.40 127.34 1wfs s VAL 82 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1wfs s VAL 82 Cb -0.13 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1wfs s VAL 82 CO 0.01 -0.41 0.00 1.41 0.00 0.00 0.00 175.10 176.12 1wfs n HIS 83 N -2.07 0.00 0.01 5.22 8.25 0.20 -4.90 115.22 121.93 1wfs n HIS 83 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 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 -0.20 0.28 0.41 2.03 -1.26 -4.93 116.55 112.89 1wfs n ASP 84 Ca 0.00 0.16 0.19 0.00 0.52 0.00 0.00 54.79 55.66 1wfs n ASP 84 Cb 0.00 0.36 1.00 0.00 -0.72 0.00 0.00 41.12 41.76 1wfs n ASP 84 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1wfs h ASP 85 N 0.00 0.00 0.00 1.67 2.03 -2.06 -3.43 116.42 114.63 1wfs h ASP 85 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1wfs h ASP 85 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1wfs h ASP 85 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 1wfs n GLY 86 N -1.15 0.86 3.54 7.15 0.00 -1.26 -5.14 105.19 109.18 1wfs n GLY 86 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 2.51 -0.04 1.61 1.81 -1.26 -5.01 118.95 118.56 1wfs s ARG 87 Ca 0.00 -0.72 -0.02 0.00 -1.72 0.00 0.00 55.73 53.28 1wfs s ARG 87 Cb 0.00 -2.44 0.03 0.00 -0.45 0.00 0.00 34.95 32.09 1wfs s ARG 87 CO 0.00 0.61 0.07 0.54 -0.68 0.00 0.00 175.30 175.84 1wfs s VAL 88 N -0.88 -0.11 0.34 3.52 0.11 -1.26 0.61 120.40 122.73 1wfs s VAL 88 Ca 0.14 0.33 0.09 0.00 -2.93 0.00 0.00 61.98 59.61 1wfs s VAL 88 Cb -0.11 -0.16 -0.06 0.00 -1.53 0.00 0.00 36.38 34.53 1wfs s VAL 88 CO 0.04 0.14 -0.02 -0.44 -3.33 0.00 0.00 175.10 171.48 1wfs s SER 89 N 1.74 4.01 -0.52 3.54 0.01 0.38 -4.95 113.70 117.91 1wfs s SER 89 Ca -0.01 -1.08 -0.03 0.00 1.31 0.00 0.00 55.95 56.14 1wfs s SER 89 Cb -0.12 -0.46 0.14 0.00 0.21 0.00 0.00 66.02 65.78 1wfs s SER 89 CO -0.04 -0.23 0.33 -0.31 0.41 0.00 0.00 173.24 173.40 1wfs s TYR 90 N -2.56 3.49 -0.68 2.43 2.02 -1.26 0.69 117.35 121.49 1wfs s TYR 90 Ca 0.34 -2.56 -0.26 0.00 -0.37 0.00 0.00 57.07 54.22 1wfs s TYR 90 Cb 0.01 -3.22 -0.03 0.00 -0.40 0.00 0.00 41.96 38.33 1wfs s TYR 90 CO 0.18 -0.91 1.88 -1.25 -1.57 0.00 0.00 175.55 173.89 1wfs s PRO 91 N 0.53 2.61 0.22 -1.71 0.04 -1.04 -4.81 135.00 130.84 1wfs s PRO 91 Ca 0.13 0.41 -0.30 0.00 0.04 0.00 0.00 61.00 61.28 1wfs s PRO 91 Cb -0.22 -4.54 -0.09 0.00 0.04 0.00 0.00 34.50 29.70 1wfs s PRO 91 CO -0.04 -2.88 1.20 -0.51 0.04 0.00 0.00 177.00 174.81 1wfs s LEU 92 N 9.33 4.47 0.27 -3.56 1.02 -1.26 -3.91 118.68 125.03 1wfs s LEU 92 Ca 0.68 2.30 0.02 0.00 0.02 0.00 0.00 54.13 57.14 1wfs s LEU 92 Cb -0.11 -3.62 -0.05 0.00 0.02 0.00 0.00 46.19 42.43 1wfs s LEU 92 CO 0.16 -0.35 0.10 0.00 0.02 0.00 0.00 176.35 176.27 1wfs s PHE 94 N -3.71 3.47 -0.25 0.00 5.36 0.18 -3.16 117.98 119.87 1wfs s PHE 94 Ca 0.38 -2.18 -0.17 0.00 -0.96 0.00 0.00 56.93 54.00 1wfs s PHE 94 Cb 0.08 -2.82 -0.03 0.00 -0.34 0.00 0.00 43.02 39.90 1wfs s PHE 94 CO 0.14 -0.90 0.45 0.42 -1.46 0.00 0.00 175.22 173.87 1wfs s ILE 95 N 1.19 5.12 -0.41 3.12 1.01 0.18 -0.35 121.20 131.06 1wfs s ILE 95 Ca 0.04 0.76 -0.12 0.00 0.00 0.00 0.00 60.65 61.32 1wfs s ILE 95 Cb -0.22 -3.77 0.05 0.00 0.01 0.00 0.00 42.46 38.53 1wfs s ILE 95 CO -0.03 0.14 0.28 0.12 0.00 0.00 0.00 174.94 175.45 1wfs s PHE 96 N 2.07 3.26 -0.94 3.97 5.36 -0.81 -0.97 117.98 129.92 1wfs s PHE 96 Ca 0.19 -1.02 -0.24 0.00 -0.96 0.00 0.00 56.93 54.90 1wfs s PHE 96 Cb -0.16 -2.75 0.03 0.00 -0.34 0.00 0.00 43.02 39.80 1wfs s PHE 96 CO 0.09 -0.72 1.48 0.45 -1.46 0.00 0.00 175.22 175.06 1wfs s SER 97 N 1.95 6.25 -0.43 6.13 0.15 -0.80 -2.91 113.70 124.05 1wfs s SER 97 Ca 0.03 -1.12 0.03 0.00 0.70 0.00 0.00 55.95 55.59 1wfs s SER 97 Cb -0.21 -2.57 0.12 0.00 -1.71 0.00 0.00 66.02 61.65 1wfs s SER 97 CO 0.06 -1.73 0.18 -0.55 1.20 0.00 0.00 173.24 172.40 1wfs s SER 98 N 5.16 4.27 0.61 5.45 0.15 -1.22 -2.33 113.70 125.79 1wfs s SER 98 Ca 0.47 -2.52 0.00 0.00 0.70 0.00 0.00 55.95 54.60 1wfs s SER 98 Cb -0.03 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.87 1wfs s SER 98 CO -0.03 -0.30 0.00 -0.81 1.20 0.00 0.00 173.24 173.29 1wfs n PRO 99 N 3.73 -0.25 -0.00 5.44 -0.04 -1.26 -4.22 135.00 138.40 1wfs n PRO 99 Ca 0.05 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.54 1wfs n PRO 99 Cb 0.37 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.78 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 -1.74 0.00 1.34 0.52 3.14 -1.26 -4.51 118.33 115.81 1wfs n VAL 100 Ca 0.00 -0.26 0.13 0.00 -2.96 0.00 0.00 64.34 61.25 1wfs n VAL 100 Cb 0.00 0.70 0.43 0.00 -1.06 0.00 0.00 33.84 33.91 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 1.58 -0.39 3.74 7.55 0.00 -1.26 -4.93 105.19 111.48 1wfs n GLY 101 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.98 3.59 0.41 0.00 3.01 -1.26 -4.99 119.74 115.51 1wfs s LYS 103 Ca 0.63 -0.14 0.29 0.00 -1.01 0.00 0.00 55.97 55.73 1wfs s LYS 103 Cb -0.17 -2.77 1.20 0.00 -1.01 0.00 0.00 37.83 35.07 1wfs s LYS 103 CO 0.56 0.36 1.85 -1.00 0.51 0.00 0.00 175.35 177.63 1wfs h PRO 104 N 2.13 0.00 -0.15 -1.68 0.13 -1.98 -1.97 132.00 128.48 1wfs h PRO 104 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 1wfs h PRO 104 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wfs h PRO 104 CO 0.69 0.00 -0.66 0.93 -0.23 0.00 0.00 178.00 178.73 1wfs h GLU 105 N 0.00 0.57 0.00 0.86 4.39 -2.00 -3.10 114.58 115.30 1wfs h GLU 105 Ca 0.00 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.24 1wfs h GLU 105 Cb 0.42 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1wfs h GLU 105 CO 0.00 1.04 -0.59 1.96 -1.16 0.00 0.00 179.01 180.25 1wfs h GLN 106 N 0.41 0.00 -1.51 2.33 1.08 -1.93 -3.35 115.11 112.15 1wfs h GLN 106 Ca -0.02 0.00 0.50 0.00 -1.45 0.00 0.00 58.65 57.68 1wfs h GLN 106 Cb 1.23 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 28.53 1wfs h GLN 106 CO 0.12 0.22 1.00 0.37 -0.95 0.00 0.00 178.83 179.59 1wfs h GLN 107 N -1.00 0.01 -0.58 1.46 -0.00 -1.52 1.64 115.11 115.11 1wfs h GLN 107 Ca -0.07 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.48 1wfs h GLN 107 Cb 0.62 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.08 1wfs h GLN 107 CO -0.04 0.01 -0.03 0.52 0.00 0.00 0.00 178.83 179.28 1wfs h MET 108 N 0.01 1.05 -0.79 1.69 2.86 -1.70 0.29 114.93 118.34 1wfs h MET 108 Ca 0.89 -0.35 0.12 0.00 -2.06 0.00 0.00 59.70 58.30 1wfs h MET 108 Cb 3.03 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 34.54 1wfs h MET 108 CO -0.37 1.05 0.52 0.52 1.06 0.00 0.00 176.91 179.68 1wfs h MET 109 N 0.94 0.61 0.11 1.72 2.86 0.23 -0.54 114.93 120.87 1wfs h MET 109 Ca 0.16 -0.04 -0.33 0.00 -2.06 0.00 0.00 59.70 57.43 1wfs h MET 109 Cb 0.59 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1wfs h MET 109 CO 0.04 0.40 -1.80 1.88 1.06 0.00 0.00 176.91 178.49 1wfs h TYR 110 N 0.63 0.44 -0.16 -0.22 -1.99 -1.36 -2.76 116.97 111.54 1wfs h TYR 110 Ca 0.38 -0.32 0.05 0.00 2.00 0.00 0.00 58.73 60.84 1wfs h TYR 110 Cb 0.60 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.31 1wfs h TYR 110 CO -0.00 1.71 0.20 0.00 -0.00 0.00 0.00 178.16 180.07 1wfs h ALA 111 N -0.02 1.72 0.00 3.88 0.00 -0.05 1.53 119.26 126.33 1wfs h ALA 111 Ca -0.39 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.15 1wfs h ALA 111 Cb 1.91 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.64 1wfs h ALA 111 CO 0.05 -0.29 -2.36 0.41 0.00 0.00 0.00 179.25 177.07 1wfs n GLY 112 N -1.37 -1.00 1.23 0.00 0.00 -0.24 -4.26 105.19 99.54 1wfs n GLY 112 Ca 0.01 -0.33 0.10 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 -2.76 3.80 0.28 1.61 7.64 -0.73 -4.54 113.62 118.92 1wfs n SER 113 Ca -0.32 -2.02 -0.13 0.00 1.01 0.00 0.00 58.87 57.40 1wfs n SER 113 Cb 1.15 -0.45 -0.07 0.00 -1.01 0.00 0.00 64.21 63.84 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 3.84 -0.71 -0.84 1.43 3.64 0.20 -2.61 116.57 121.52 1wfs h LYS 114 Ca 0.00 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1wfs h LYS 114 Cb 0.96 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 1wfs h LYS 114 CO 0.01 -0.42 0.55 -0.91 -2.27 0.00 0.00 179.45 176.40 1wfs h ASN 115 N -1.11 0.84 -0.04 4.20 2.35 -1.81 -0.92 115.58 119.10 1wfs h ASN 115 Ca -0.08 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1wfs h ASN 115 Cb 0.62 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 1wfs h ASN 115 CO 0.12 0.56 -0.12 -0.09 -1.65 0.00 0.00 177.43 176.25 1wfs h ARG 116 N 0.97 -0.18 0.44 0.81 9.65 -1.80 0.24 114.38 124.50 1wfs h ARG 116 Ca 0.35 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.22 1wfs h ARG 116 Cb 0.16 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 1wfs h ARG 116 CO -0.12 -0.12 -0.21 1.25 2.80 0.00 0.00 179.97 183.57 1wfs h LEU 117 N -0.19 -0.50 -0.33 3.80 5.85 -1.04 -2.68 115.31 120.22 1wfs h LEU 117 Ca 0.06 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.75 1wfs h LEU 117 Cb 0.27 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 1wfs h LEU 117 CO -0.15 -0.16 -0.28 0.58 -0.34 0.00 0.00 178.44 178.09 1wfs h VAL 118 N -0.87 0.30 -0.96 1.05 2.07 -1.12 0.57 116.25 117.29 1wfs h VAL 118 Ca -0.06 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.66 1wfs h VAL 118 Cb 0.56 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 1wfs h VAL 118 CO 0.10 0.00 0.61 1.56 0.02 0.00 0.00 177.57 179.86 1wfs h GLN 119 N -0.25 0.54 -0.42 1.57 4.20 -0.55 0.13 115.11 120.32 1wfs h GLN 119 Ca 0.16 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1wfs h GLN 119 Cb 0.51 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1wfs h GLN 119 CO -0.47 0.36 0.14 1.15 -0.67 0.00 0.00 178.83 179.33 1wfs h THR 120 N 0.55 1.21 0.00 -0.54 2.02 -0.55 -2.39 112.91 113.22 1wfs h THR 120 Ca 0.52 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1wfs h THR 120 Cb 1.08 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1wfs h THR 120 CO -0.26 0.25 0.00 0.00 0.37 0.00 0.00 175.52 175.88 1wfs h ALA 121 N 0.99 1.00 -1.83 6.16 0.00 -0.37 -3.47 119.26 121.74 1wfs h ALA 121 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 1wfs h ALA 121 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1wfs h ALA 121 CO -0.01 0.00 -0.30 0.39 0.00 0.00 0.00 179.25 179.34 1wfs n GLU 122 N -3.05 -1.29 0.18 0.00 1.02 -0.32 -4.82 120.64 112.36 1wfs n GLU 122 Ca 0.01 0.53 -0.09 0.00 -0.02 0.00 0.00 57.16 57.59 1wfs n GLU 122 Cb 0.32 -4.63 -0.05 0.00 -0.02 0.00 0.00 31.44 27.06 1wfs n GLU 122 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1wfs h LEU 123 N -0.17 -0.44 0.00 -4.62 3.38 -1.83 -3.47 115.31 108.16 1wfs h LEU 123 Ca -0.27 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1wfs h LEU 123 Cb 1.20 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1wfs h LEU 123 CO 0.31 0.00 0.00 1.07 0.09 0.00 0.00 178.44 179.92 1wfs n THR 124 N -5.13 0.00 -3.78 0.22 5.66 -1.26 -4.95 114.28 105.04 1wfs n THR 124 Ca -0.07 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.57 1wfs n THR 124 Cb 0.24 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.91 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 -0.04 2.26 -0.39 1.09 1.02 -1.26 -5.06 119.74 117.36 1wfs s LYS 125 Ca 0.00 -2.29 -0.12 0.00 0.02 0.00 0.00 55.97 53.58 1wfs s LYS 125 Cb 0.00 -3.61 0.03 0.00 -0.52 0.00 0.00 37.83 33.73 1wfs s LYS 125 CO 0.00 -1.12 0.24 0.08 -0.92 0.00 0.00 175.35 173.63 1wfs s VAL 126 N 0.34 4.76 -0.32 3.17 1.01 -1.26 0.50 120.40 128.59 1wfs s VAL 126 Ca 0.14 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 1wfs s VAL 126 Cb -0.22 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.50 1wfs s VAL 126 CO -0.03 -0.29 0.10 -0.36 0.00 0.00 0.00 175.10 174.52 1wfs s PHE 127 N 1.58 3.20 -0.11 5.22 0.08 0.52 -4.99 117.98 123.48 1wfs s PHE 127 Ca 0.03 -1.15 -0.22 0.00 0.12 0.00 0.00 56.93 55.71 1wfs s PHE 127 Cb -0.20 -2.28 -0.03 0.00 -0.57 0.00 0.00 43.02 39.94 1wfs s PHE 127 CO 0.07 -0.64 0.66 -2.00 -0.10 0.00 0.00 175.22 173.21 1wfs s GLU 128 N 1.47 4.36 -0.27 0.44 2.12 -1.26 -1.92 118.70 123.63 1wfs s GLU 128 Ca 0.01 0.77 -0.04 0.00 0.36 0.00 0.00 54.97 56.07 1wfs s GLU 128 Cb -0.18 -3.49 0.02 0.00 0.26 0.00 0.00 34.13 30.74 1wfs s GLU 128 CO 0.03 -0.03 -0.00 0.96 -0.54 0.00 0.00 175.26 175.68 1wfs s ILE 129 N 1.15 3.31 -0.52 -3.70 -4.36 -1.14 -4.96 121.20 110.97 1wfs s ILE 129 Ca 0.34 -0.91 0.09 0.00 -0.26 0.00 0.00 60.65 59.91 1wfs s ILE 129 Cb -0.17 -2.70 0.09 0.00 1.25 0.00 0.00 42.46 40.93 1wfs s ILE 129 CO 0.15 0.14 1.24 -1.14 0.24 0.00 0.00 174.94 175.56 1wfs n ARG 130 N 4.74 0.06 -3.59 0.37 3.00 -1.26 -3.44 116.66 116.54 1wfs n ARG 130 Ca -0.15 0.53 -0.06 0.00 -0.00 0.00 0.00 57.85 58.16 1wfs n ARG 130 Cb 0.47 -1.77 -0.03 0.00 0.00 0.00 0.00 32.46 31.13 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 -3.17 0.00 0.27 5.15 -1.32 -1.26 -4.17 115.64 111.13 1wfs s THR 131 Ca -0.01 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1wfs s THR 131 Cb 0.03 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.27 1wfs s THR 131 CO 0.08 0.00 1.78 0.71 -2.21 0.00 0.00 174.62 174.98 1wfs h THR 132 N 2.16 0.77 -1.25 5.08 1.35 -1.87 0.17 112.91 119.32 1wfs h THR 132 Ca -0.13 -0.24 0.36 0.00 -0.55 0.00 0.00 66.41 65.86 1wfs h THR 132 Cb 1.18 0.01 -0.09 0.00 -1.73 0.00 0.00 68.15 67.52 1wfs h THR 132 CO 0.26 0.13 0.85 0.44 -0.25 0.00 0.00 175.52 176.94 1wfs h ASP 133 N 0.70 0.21 -0.86 5.36 3.32 -1.96 0.64 116.42 123.84 1wfs h ASP 133 Ca 0.47 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.62 1wfs h ASP 133 Cb 0.63 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.17 1wfs h ASP 133 CO -0.34 -0.02 0.56 -0.78 -1.72 0.00 0.00 179.24 176.95 1wfs h ASP 134 N 0.15 0.93 -0.52 6.45 3.58 -1.35 -3.36 116.42 122.30 1wfs h ASP 134 Ca 0.68 -0.01 -0.21 0.00 0.42 0.00 0.00 57.03 57.90 1wfs h ASP 134 Cb 2.24 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 43.04 1wfs h ASP 134 CO -0.21 0.64 0.58 -0.22 -2.88 0.00 0.00 179.24 177.15 1wfs s LEU 135 N -9.95 2.99 0.08 2.28 2.96 0.22 -4.61 118.68 112.65 1wfs s LEU 135 Ca -0.11 -0.77 0.05 0.00 -0.22 0.00 0.00 54.13 53.08 1wfs s LEU 135 Cb 0.19 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 1wfs s LEU 135 CO 0.80 -3.28 -0.14 0.42 -1.32 0.00 0.00 176.35 172.82 1wfs s THR 136 N 12.05 1.18 0.33 3.68 -4.23 -1.26 -4.56 115.64 122.83 1wfs s THR 136 Ca 0.76 -1.40 0.09 0.00 -1.18 0.00 0.00 61.69 59.96 1wfs s THR 136 Cb -0.07 -1.19 0.35 0.00 1.34 0.00 0.00 72.50 72.94 1wfs s THR 136 CO 0.06 -0.26 1.61 -0.08 -0.54 0.00 0.00 174.62 175.42 1wfs h GLU 137 N 4.13 0.11 0.15 3.99 4.81 -1.91 0.62 114.58 126.49 1wfs h GLU 137 Ca -0.41 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1wfs h GLU 137 Cb 1.19 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1wfs h GLU 137 CO 0.42 0.08 -0.07 1.15 -0.73 0.00 0.00 179.01 179.86 1wfs h THR 138 N 0.12 0.00 -1.85 0.32 2.02 -1.95 -1.88 112.91 109.67 1wfs h THR 138 Ca 0.68 -0.28 0.55 0.00 0.77 0.00 0.00 66.41 68.13 1wfs h THR 138 Cb 1.55 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.87 1wfs h THR 138 CO -0.75 0.00 1.31 1.87 0.37 0.00 0.00 175.52 178.32 1wfs n TRP 139 N -3.31 0.13 -0.02 3.16 -0.00 -0.87 -0.23 117.44 116.31 1wfs n TRP 139 Ca -0.02 0.14 -0.01 0.00 -0.00 0.00 0.00 57.50 57.61 1wfs n TRP 139 Cb 0.08 -0.62 -0.00 0.00 -0.00 0.00 0.00 31.31 30.77 1wfs n TRP 139 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1wfs h LEU 140 N 0.00 -0.03 -1.15 5.87 5.85 -0.93 -3.28 115.31 121.64 1wfs h LEU 140 Ca 0.92 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.65 1wfs h LEU 140 Cb 3.58 0.01 0.00 0.00 0.37 0.00 0.00 40.66 44.62 1wfs h LEU 140 CO -0.10 0.30 0.29 0.11 -0.34 0.00 0.00 178.44 178.70 1wfs h LYS 141 N -0.68 0.00 0.39 1.25 1.57 -0.11 -1.66 116.57 117.33 1wfs h LYS 141 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1wfs h LYS 141 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1wfs h LYS 141 CO 0.01 0.00 -0.19 0.93 -0.57 0.00 0.00 179.45 179.63 1wfs h GLU 142 N 0.00 -0.51 -0.94 3.15 5.08 -0.68 -0.86 114.58 119.82 1wfs h GLU 142 Ca 0.00 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1wfs h GLU 142 Cb 0.58 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 1wfs h GLU 142 CO 0.00 -0.27 0.61 0.87 -1.00 0.00 0.00 179.01 179.23 1wfs h LYS 143 N -1.09 1.06 0.22 2.33 1.79 -1.36 -2.75 116.57 116.77 1wfs h LYS 143 Ca -0.05 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1wfs h LYS 143 Cb 0.47 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1wfs h LYS 143 CO 0.09 0.70 -0.11 -0.07 -1.08 0.00 0.00 179.45 178.98 1wfs h LEU 144 N 1.09 -0.25 -0.73 2.94 3.38 -1.56 -3.25 115.31 116.93 1wfs h LEU 144 Ca 0.40 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.26 1wfs h LEU 144 Cb 0.18 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 1wfs h LEU 144 CO -0.15 0.08 -0.35 0.00 0.09 0.00 0.00 178.44 178.11 1wfs n ALA 145 N -2.40 -0.26 -0.85 1.53 0.00 -0.33 0.10 120.51 118.30 1wfs n ALA 145 Ca -0.09 0.68 -0.09 0.00 0.00 0.00 0.00 53.44 53.94 1wfs n ALA 145 Cb 0.23 -0.22 -0.12 0.00 0.00 0.00 0.00 19.45 19.34 1wfs n ALA 145 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wfs n SER 146 N -5.00 5.13 -4.76 0.00 3.41 -1.20 -4.93 113.62 106.27 1wfs n SER 146 Ca 0.05 -2.43 -0.37 0.00 -0.26 0.00 0.00 58.87 55.85 1wfs n SER 146 Cb 0.25 -1.31 0.01 0.00 -0.26 0.00 0.00 64.21 62.89 1wfs n SER 146 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wfs s GLY 147 N 2.02 2.79 1.26 5.00 0.00 0.28 -5.02 107.32 113.64 1wfs s GLY 147 Ca 0.49 1.03 -0.21 0.00 0.00 0.00 0.00 44.72 46.03 1wfs s GLY 147 CO 0.00 1.49 1.11 2.56 0.00 0.00 0.00 173.10 178.27 1wfs s PRO 148 N -2.86 -1.66 0.74 2.90 0.04 -1.26 -4.97 135.00 127.93 1wfs s PRO 148 Ca 0.68 -0.22 -0.16 0.00 0.04 0.00 0.00 61.00 61.34 1wfs s PRO 148 Cb -0.31 -1.56 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1wfs s PRO 148 CO 0.37 -3.97 0.49 0.45 0.04 0.00 0.00 177.00 174.38 1wfs n SER 149 N -4.91 -1.38 -1.99 6.66 2.88 -1.26 -4.48 113.62 109.13 1wfs n SER 149 Ca 0.15 0.57 -0.01 0.00 -1.33 0.00 0.00 58.87 58.25 1wfs n SER 149 Cb 0.60 -1.20 -0.01 0.00 -0.75 0.00 0.00 64.21 62.85 1wfs n SER 149 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfs n SER 150 N -0.24 -3.25 -0.16 -3.46 2.88 -1.26 -5.30 113.62 102.81 1wfs n SER 150 Ca 0.10 0.60 0.02 0.00 -1.33 0.00 0.00 58.87 58.25 1wfs n SER 150 Cb 0.50 -2.83 0.02 0.00 -0.75 0.00 0.00 64.21 61.14 1wfs n SER 150 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42