#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 0.08 -0.09 1.61 1.04 -1.26 -5.07 113.70 110.02 1wfs s SER 2 Ca 0.00 -0.18 -0.08 0.00 0.48 0.00 0.00 55.95 56.18 1wfs s SER 2 Cb 0.00 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 1wfs s SER 2 CO 0.00 -0.14 -0.17 -0.24 0.98 0.00 0.00 173.24 173.67 1wfs n SER 3 N 2.42 1.20 0.00 7.02 2.88 -1.26 -5.07 113.62 120.81 1wfs n SER 3 Ca -0.17 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1wfs n SER 3 Cb 0.58 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1wfs n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfs n GLY 4 N 2.34 1.00 2.37 0.46 0.00 -1.26 -4.97 105.19 105.12 1wfs n GLY 4 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 1wfs n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfs n SER 5 N 0.00 -8.58 0.00 1.61 7.64 -1.26 -5.03 113.62 108.00 1wfs n SER 5 Ca 0.00 1.81 0.00 0.00 1.01 0.00 0.00 58.87 61.69 1wfs n SER 5 Cb 0.00 -5.21 0.00 0.00 -1.01 0.00 0.00 64.21 57.99 1wfs n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wfs n SER 6 N 1.81 0.00 -4.74 6.43 7.64 -1.26 -5.16 113.62 118.34 1wfs n SER 6 Ca -0.05 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.52 1wfs n SER 6 Cb 0.07 0.24 -0.08 0.00 -1.01 0.00 0.00 64.21 63.43 1wfs n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfs s GLY 7 N -1.53 2.85 0.03 0.23 0.00 -1.26 -5.09 107.32 102.54 1wfs s GLY 7 Ca 0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 44.72 43.77 1wfs s GLY 7 CO 0.00 -2.15 -0.09 1.44 0.00 0.00 0.00 173.10 172.30 1wfs n SER 8 N -1.24 1.32 -2.63 1.64 7.64 -1.26 -4.98 113.62 114.12 1wfs n SER 8 Ca -0.14 0.19 -0.03 0.00 1.01 0.00 0.00 58.87 59.89 1wfs n SER 8 Cb 0.67 -0.44 0.12 0.00 -1.01 0.00 0.00 64.21 63.55 1wfs n SER 8 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1wfs n ASP 9 N -3.74 -1.50 -3.52 6.43 -0.08 -1.26 -5.14 116.55 107.73 1wfs n ASP 9 Ca -0.04 -2.22 -0.13 0.00 -1.51 0.00 0.00 54.79 50.90 1wfs n ASP 9 Cb 0.14 0.74 -0.04 0.00 2.34 0.00 0.00 41.12 44.29 1wfs n ASP 9 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1wfs s SER 10 N -1.09 -0.47 0.44 1.67 0.01 -1.26 -5.19 113.70 107.81 1wfs s SER 10 Ca 0.11 0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.48 1wfs s SER 10 Cb 0.42 0.53 -0.01 0.00 0.21 0.00 0.00 66.02 67.17 1wfs s SER 10 CO -0.12 -0.82 0.12 0.18 0.41 0.00 0.00 173.24 173.01 1wfs n LEU 11 N 0.06 0.00 -2.39 2.44 4.77 -1.26 -4.92 117.00 115.70 1wfs n LEU 11 Ca -0.17 -3.22 -0.35 0.00 -0.03 0.00 0.00 56.01 52.23 1wfs n LEU 11 Cb 0.62 0.91 0.07 0.00 -2.33 0.00 0.00 43.42 42.70 1wfs n LEU 11 CO 0.17 -0.49 1.46 0.55 -1.33 0.00 0.00 177.39 177.74 1wfs n VAL 12 N -1.02 3.62 -1.50 4.08 3.14 -1.26 -5.02 118.33 120.38 1wfs n VAL 12 Ca -0.09 -3.10 -0.59 0.00 -2.96 0.00 0.00 64.34 57.60 1wfs n VAL 12 Cb 0.64 -1.17 -0.08 0.00 -1.06 0.00 0.00 33.84 32.16 1wfs n VAL 12 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1wfs n VAL 13 N -0.87 0.00 -3.54 1.55 0.31 -1.26 -4.82 118.33 109.69 1wfs n VAL 13 Ca 0.62 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.74 1wfs n VAL 13 Cb 0.61 -0.11 -0.03 0.00 -0.91 0.00 0.00 33.84 33.41 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 -4.15 2.13 -0.55 0.00 0.41 -0.98 -4.83 118.70 110.73 1wfs s GLU 15 Ca 0.48 -1.05 -0.10 0.00 -0.41 0.00 0.00 54.97 53.90 1wfs s GLU 15 Cb -0.03 -2.44 0.14 0.00 -1.78 0.00 0.00 34.13 30.01 1wfs s GLU 15 CO 0.28 -1.05 0.44 0.54 -0.49 0.00 0.00 175.26 174.98 1wfs s VAL 16 N -2.91 4.45 0.12 2.63 0.11 -1.26 -0.03 120.40 123.51 1wfs s VAL 16 Ca 0.62 -2.01 -0.18 0.00 -2.93 0.00 0.00 61.98 57.48 1wfs s VAL 16 Cb -0.07 -3.89 -0.11 0.00 -1.53 0.00 0.00 36.38 30.78 1wfs s VAL 16 CO 0.41 -0.84 0.34 -0.67 -3.33 0.00 0.00 175.10 171.01 1wfs n ASP 17 N 4.62 -0.77 0.11 3.54 2.03 -0.60 -4.65 116.55 120.84 1wfs n ASP 17 Ca -0.03 0.71 -0.02 0.00 0.52 0.00 0.00 54.79 55.97 1wfs n ASP 17 Cb 0.41 -0.60 0.22 0.00 -0.72 0.00 0.00 41.12 40.43 1wfs n ASP 17 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wfs h PRO 18 N 0.67 0.17 0.00 -0.67 0.13 -1.97 -1.72 132.00 128.61 1wfs h PRO 18 Ca -0.18 -0.09 -0.08 0.00 -0.87 0.00 0.00 66.00 64.78 1wfs h PRO 18 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 1wfs h PRO 18 CO 0.36 0.61 -0.36 1.05 -0.23 0.00 0.00 178.00 179.43 1wfs h GLU 19 N 0.14 0.00 0.11 0.86 -0.00 -1.94 -3.21 114.58 110.53 1wfs h GLU 19 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 59.36 59.11 1wfs h GLU 19 Cb 0.89 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.63 1wfs h GLU 19 CO 0.07 0.36 -1.30 1.25 -0.00 0.00 0.00 179.01 179.39 1wfs h LEU 20 N 0.00 0.35 -0.92 3.06 6.46 -1.82 -3.33 115.31 119.10 1wfs h LEU 20 Ca -0.00 -0.85 0.33 0.00 -0.12 0.00 0.00 57.88 57.24 1wfs h LEU 20 Cb 0.81 -0.11 -0.17 0.00 -0.73 0.00 0.00 40.66 40.45 1wfs h LEU 20 CO 0.05 1.57 0.30 1.17 -0.62 0.00 0.00 178.44 180.90 1wfs n LYS 21 N -4.00 -0.06 -0.10 1.25 4.81 -0.67 0.16 118.16 119.55 1wfs n LYS 21 Ca -0.24 1.32 -0.12 0.00 -0.87 0.00 0.00 58.31 58.39 1wfs n LYS 21 Cb 0.86 -2.25 -0.04 0.00 0.02 0.00 0.00 35.03 33.63 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 0.70 -0.60 1.64 5.08 -1.70 -2.70 114.58 116.99 1wfs h GLU 22 Ca 0.69 -0.33 0.12 0.00 -1.00 0.00 0.00 59.36 58.85 1wfs h GLU 22 Cb 1.69 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.83 1wfs h GLU 22 CO -0.77 0.93 -0.07 1.15 -1.00 0.00 0.00 179.01 179.25 1wfs h THR 23 N 0.46 0.45 0.20 1.13 2.02 0.15 0.88 112.91 118.19 1wfs h THR 23 Ca 0.06 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1wfs h THR 23 Cb 0.75 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1wfs h THR 23 CO 0.06 0.01 -0.10 -0.07 0.37 0.00 0.00 175.52 175.79 1wfs h LEU 24 N 0.06 -0.23 -1.53 2.58 3.38 -1.42 -0.04 115.31 118.11 1wfs h LEU 24 Ca 0.30 -0.18 0.23 0.00 0.09 0.00 0.00 57.88 58.33 1wfs h LEU 24 Cb 0.48 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 1wfs h LEU 24 CO -0.57 0.05 0.64 -0.09 0.09 0.00 0.00 178.44 178.56 1wfs h ARG 25 N -0.53 0.34 0.17 1.13 2.43 -1.04 0.69 114.38 117.57 1wfs h ARG 25 Ca -0.03 -0.02 -0.31 0.00 -0.81 0.00 0.00 59.98 58.81 1wfs h ARG 25 Cb 0.40 -0.08 0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1wfs h ARG 25 CO 0.05 0.23 -1.32 0.87 -1.51 0.00 0.00 179.97 178.28 1wfs h LYS 26 N 0.35 0.60 -0.58 0.20 1.79 -0.64 -3.09 116.57 115.21 1wfs h LYS 26 Ca 0.51 -0.87 -0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1wfs h LYS 26 Cb 1.36 0.30 -0.03 0.00 -1.58 0.00 0.00 32.23 32.29 1wfs h LYS 26 CO -0.19 1.41 0.36 0.35 -1.08 0.00 0.00 179.45 180.29 1wfs h PHE 27 N 0.22 0.74 0.00 -1.35 3.57 0.10 1.64 116.94 121.87 1wfs h PHE 27 Ca -0.21 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.24 1wfs h PHE 27 Cb 2.00 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.49 1wfs h PHE 27 CO 0.12 0.49 -0.26 0.00 -2.23 0.00 0.00 178.31 176.43 1wfs h ARG 28 N 0.79 0.00 -0.58 1.11 3.08 -1.16 -3.28 114.38 114.35 1wfs h ARG 28 Ca 0.21 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.90 1wfs h ARG 28 Cb -0.05 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.59 1wfs h ARG 28 CO -0.04 0.26 -1.01 1.19 -1.07 0.00 0.00 179.97 179.30 1wfs n PHE 29 N -3.31 1.82 -1.61 3.04 3.72 -0.42 -5.10 117.46 115.61 1wfs n PHE 29 Ca 0.01 -2.20 -0.29 0.00 -0.05 0.00 0.00 57.45 54.91 1wfs n PHE 29 Cb 0.51 -0.27 0.16 0.00 -0.94 0.00 0.00 39.48 38.95 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 -3.71 0.65 -0.60 -1.08 1.70 0.55 -4.89 118.95 111.56 1wfs s ARG 30 Ca 0.36 0.00 -0.00 0.00 -0.47 0.00 0.00 55.73 55.62 1wfs s ARG 30 Cb 0.36 -1.81 0.46 0.00 -0.57 0.00 0.00 34.95 33.39 1wfs s ARG 30 CO -0.01 -2.47 1.91 1.63 -1.08 0.00 0.00 175.30 175.27 1wfs n LYS 31 N -3.90 2.79 -3.88 3.89 4.76 -1.26 -4.97 118.16 115.58 1wfs n LYS 31 Ca 0.10 -3.40 -0.25 0.00 -2.87 0.00 0.00 58.31 51.89 1wfs n LYS 31 Cb 0.60 -2.28 -0.02 0.00 -1.84 0.00 0.00 35.03 31.49 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 -3.76 2.29 0.00 1.97 0.41 -1.26 -5.05 118.70 113.29 1wfs s GLU 32 Ca 0.62 -1.93 0.00 0.00 -0.41 0.00 0.00 54.97 53.25 1wfs s GLU 32 Cb 0.49 -2.12 0.00 0.00 -1.78 0.00 0.00 34.13 30.73 1wfs s GLU 32 CO 0.00 -0.48 0.37 0.25 -0.49 0.00 0.00 175.26 174.91 1wfs n THR 33 N -1.65 0.00 -4.34 3.63 -2.24 -1.26 -5.12 114.28 103.30 1wfs n THR 33 Ca -0.01 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.53 1wfs n THR 33 Cb 0.64 0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 69.52 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 2.87 -4.76 3.42 6.94 -1.26 -5.06 115.26 117.42 1wfs n ASN 34 Ca 0.00 -2.66 -0.40 0.00 -0.02 0.00 0.00 54.58 51.50 1wfs n ASN 34 Cb 0.50 0.18 -0.05 0.00 -2.36 0.00 0.00 39.78 38.05 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 -3.30 7.25 0.12 0.53 0.01 -1.26 -4.89 114.94 113.40 1wfs s ASN 35 Ca 0.08 1.49 -0.09 0.00 -0.71 0.00 0.00 52.86 53.62 1wfs s ASN 35 Cb -0.01 -2.47 -0.00 0.00 0.41 0.00 0.00 41.25 39.18 1wfs s ASN 35 CO 0.05 0.07 0.24 0.00 -1.51 0.00 0.00 177.10 175.95 1wfs s ALA 36 N -0.37 -0.15 0.07 0.60 0.00 -1.19 0.38 121.76 121.10 1wfs s ALA 36 Ca 0.37 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1wfs s ALA 36 Cb -0.21 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1wfs s ALA 36 CO 0.24 -0.58 -0.06 0.00 0.00 0.00 0.00 175.76 175.36 1wfs s ALA 37 N -3.91 0.77 -0.13 0.00 0.00 0.37 0.07 121.76 118.93 1wfs s ALA 37 Ca 0.10 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 1wfs s ALA 37 Cb 0.04 0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.37 1wfs s ALA 37 CO -0.06 -0.22 0.06 0.42 0.00 0.00 0.00 175.76 175.96 1wfs s ILE 38 N -3.18 0.08 -0.29 0.00 1.01 -0.92 -2.16 121.20 115.74 1wfs s ILE 38 Ca 0.06 -0.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.52 1wfs s ILE 38 Cb 0.02 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 1wfs s ILE 38 CO -0.05 -0.07 0.37 -0.63 0.00 0.00 0.00 174.94 174.56 1wfs s ILE 39 N 2.07 5.17 -0.05 2.92 1.01 -0.55 -1.17 121.20 130.60 1wfs s ILE 39 Ca 0.03 0.42 0.04 0.00 0.00 0.00 0.00 60.65 61.14 1wfs s ILE 39 Cb -0.15 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1wfs s ILE 39 CO -0.07 0.09 -0.15 -0.04 0.00 0.00 0.00 174.94 174.77 1wfs s MET 40 N 2.06 2.55 0.52 2.79 -1.94 -0.75 0.08 119.30 124.61 1wfs s MET 40 Ca 0.14 -0.72 0.04 0.00 -1.71 0.00 0.00 55.69 53.44 1wfs s MET 40 Cb -0.16 -2.37 0.01 0.00 2.01 0.00 0.00 34.83 34.32 1wfs s MET 40 CO 0.11 0.58 0.22 -1.59 -0.01 0.00 0.00 175.02 174.33 1wfs s LYS 41 N -0.62 2.23 -0.24 2.03 -2.85 0.70 -1.82 119.74 119.17 1wfs s LYS 41 Ca 0.09 -2.15 -0.02 0.00 -1.00 0.00 0.00 55.97 52.89 1wfs s LYS 41 Cb -0.11 -1.87 0.07 0.00 -2.06 0.00 0.00 37.83 33.87 1wfs s LYS 41 CO 0.01 -0.47 0.04 0.54 0.10 0.00 0.00 175.35 175.57 1wfs s VAL 42 N -2.80 0.77 -0.23 1.79 0.11 -1.26 0.13 120.40 118.91 1wfs s VAL 42 Ca 0.24 -0.91 -0.29 0.00 -2.93 0.00 0.00 61.98 58.09 1wfs s VAL 42 Cb -0.00 -1.33 -0.03 0.00 -1.53 0.00 0.00 36.38 33.49 1wfs s VAL 42 CO 0.14 -0.34 1.70 -1.81 -3.33 0.00 0.00 175.10 171.46 1wfs s ASP 43 N 1.72 6.24 0.40 3.54 1.11 -0.32 -4.83 116.67 124.54 1wfs s ASP 43 Ca 0.02 1.62 0.08 0.00 0.18 0.00 0.00 52.55 54.44 1wfs s ASP 43 Cb -0.17 -2.53 0.86 0.00 1.07 0.00 0.00 42.92 42.15 1wfs s ASP 43 CO -0.13 -1.37 2.03 0.50 1.18 0.00 0.00 175.17 177.37 1wfs h LYS 44 N 11.35 0.56 -0.37 8.23 3.64 -1.96 1.15 116.57 139.16 1wfs h LYS 44 Ca -0.35 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 58.94 1wfs h LYS 44 Cb 1.16 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1wfs h LYS 44 CO 1.00 0.37 -0.02 -0.44 -2.27 0.00 0.00 179.45 178.10 1wfs h ASP 45 N 0.57 0.56 -0.22 4.20 5.19 -1.97 -2.66 116.42 122.10 1wfs h ASP 45 Ca 0.20 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1wfs h ASP 45 Cb 0.09 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.46 1wfs h ASP 45 CO -0.05 0.64 0.00 0.54 -3.12 0.00 0.00 179.24 177.25 1wfs n ARG 46 N -4.25 1.93 -4.02 3.56 1.74 -0.49 -4.97 116.66 110.16 1wfs n ARG 46 Ca 0.02 -1.84 -0.31 0.00 -0.77 0.00 0.00 57.85 54.94 1wfs n ARG 46 Cb 0.27 -1.36 -0.07 0.00 -1.02 0.00 0.00 32.46 30.27 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 1.00 -0.84 -4.04 5.56 1.13 0.38 -4.86 117.38 115.72 1wfs n GLN 47 Ca 0.13 0.10 -0.08 0.00 -1.94 0.00 0.00 57.00 55.21 1wfs n GLN 47 Cb 0.46 -3.50 -0.10 0.00 0.11 0.00 0.00 30.24 27.21 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 -6.38 0.56 -0.36 -1.09 0.23 -1.12 -2.32 119.30 108.82 1wfs s MET 48 Ca 0.40 -1.03 -0.21 0.00 -1.03 0.00 0.00 55.69 53.82 1wfs s MET 48 Cb -0.23 0.20 0.00 0.00 -1.53 0.00 0.00 34.83 33.27 1wfs s MET 48 CO 0.84 -0.11 0.65 0.08 -2.03 0.00 0.00 175.02 174.46 1wfs s VAL 49 N -3.26 4.87 -0.00 5.16 1.01 0.96 -1.17 120.40 127.95 1wfs s VAL 49 Ca 0.01 0.59 0.08 0.00 0.00 0.00 0.00 61.98 62.65 1wfs s VAL 49 Cb 0.03 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1wfs s VAL 49 CO -0.08 -0.35 -0.24 0.68 0.00 0.00 0.00 175.10 175.11 1wfs s VAL 50 N 2.76 1.94 0.55 2.92 -7.23 0.34 -1.55 120.40 120.13 1wfs s VAL 50 Ca 0.25 -1.10 -0.18 0.00 -1.81 0.00 0.00 61.98 59.14 1wfs s VAL 50 Cb -0.14 -1.62 -0.10 0.00 0.56 0.00 0.00 36.38 35.08 1wfs s VAL 50 CO 0.15 0.49 0.35 -0.11 -0.31 0.00 0.00 175.10 175.68 1wfs n LEU 51 N 2.33 -0.42 0.00 1.32 7.94 -1.26 -0.22 117.00 126.69 1wfs n LEU 51 Ca -0.16 0.71 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 1wfs n LEU 51 Cb 0.52 -1.09 0.00 0.00 0.53 0.00 0.00 43.42 43.38 1wfs n LEU 51 CO 0.23 -3.52 -0.49 1.21 -1.11 0.00 0.00 177.39 173.71 1wfs n GLU 52 N 0.36 0.00 -3.91 1.96 2.13 0.11 -4.47 120.64 116.82 1wfs n GLU 52 Ca 0.11 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.85 1wfs n GLU 52 Cb 0.47 -0.53 -0.03 0.00 0.27 0.00 0.00 31.44 31.62 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 -4.93 -0.18 -0.24 4.31 1.01 0.10 -5.01 116.67 111.73 1wfs s ASP 53 Ca 0.00 -0.75 -0.03 0.00 0.71 0.00 0.00 52.55 52.48 1wfs s ASP 53 Cb 0.00 0.68 0.13 0.00 1.01 0.00 0.00 42.92 44.75 1wfs s ASP 53 CO 0.00 -1.29 0.42 -1.61 0.21 0.00 0.00 175.17 172.90 1wfs s GLU 54 N -3.89 0.38 -0.13 8.23 2.02 -1.26 -1.47 118.70 122.57 1wfs s GLU 54 Ca 0.15 0.72 -0.01 0.00 0.02 0.00 0.00 54.97 55.85 1wfs s GLU 54 Cb -0.04 -0.15 -0.02 0.00 0.10 0.00 0.00 34.13 34.02 1wfs s GLU 54 CO 0.08 -0.55 -0.11 -0.51 0.02 0.00 0.00 175.26 174.19 1wfs s LEU 55 N 2.61 2.84 0.30 1.80 1.43 -0.92 -5.01 118.68 121.72 1wfs s LEU 55 Ca 0.11 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 1wfs s LEU 55 Cb -0.15 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1wfs s LEU 55 CO -0.16 0.17 0.15 -1.10 0.23 0.00 0.00 176.35 175.64 1wfs s GLN 56 N 0.31 2.57 -1.28 1.70 1.11 -1.26 -0.48 119.66 122.32 1wfs s GLN 56 Ca -0.09 -1.33 -0.14 0.00 0.01 0.00 0.00 55.36 53.81 1wfs s GLN 56 Cb -0.15 -2.33 0.00 0.00 -1.01 0.00 0.00 33.01 29.52 1wfs s GLN 56 CO 0.05 0.26 0.58 0.27 0.01 0.00 0.00 175.29 176.45 1wfs n ASN 57 N -1.13 -2.75 -4.13 5.90 0.23 0.16 -4.94 115.26 108.60 1wfs n ASN 57 Ca -0.05 -1.08 -0.21 0.00 -0.53 0.00 0.00 54.58 52.71 1wfs n ASN 57 Cb 0.59 -2.86 -0.14 0.00 -2.08 0.00 0.00 39.78 35.30 1wfs n ASN 57 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1wfs s ILE 58 N -3.73 1.14 0.72 1.53 -1.16 -1.06 -5.00 121.20 113.64 1wfs s ILE 58 Ca 0.26 -0.82 -0.08 0.00 -0.51 0.00 0.00 60.65 59.50 1wfs s ILE 58 Cb -0.11 -0.99 0.05 0.00 0.61 0.00 0.00 42.46 42.02 1wfs s ILE 58 CO 0.90 0.16 1.05 -0.44 -2.81 0.00 0.00 174.94 173.81 1wfs s SER 59 N -0.75 4.91 0.00 4.50 0.01 -1.26 -4.55 113.70 116.55 1wfs s SER 59 Ca 0.04 0.65 0.13 0.00 1.31 0.00 0.00 55.95 58.09 1wfs s SER 59 Cb -0.07 -1.32 0.80 0.00 0.21 0.00 0.00 66.02 65.64 1wfs s SER 59 CO 0.00 -1.58 1.23 -0.81 0.41 0.00 0.00 173.24 172.49 1wfs n PRO 60 N -2.99 0.49 -0.06 12.44 -0.04 -1.26 -2.21 135.00 141.37 1wfs n PRO 60 Ca 0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.50 1wfs n PRO 60 Cb 0.60 -1.43 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.93 1.04 0.12 0.54 1.02 -1.26 -4.29 120.64 116.88 1wfs n GLU 61 Ca 0.10 -0.05 -0.23 0.00 -0.02 0.00 0.00 57.16 56.95 1wfs n GLU 61 Cb 0.05 -1.43 -0.15 0.00 -0.02 0.00 0.00 31.44 29.88 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 0.48 0.11 3.49 4.22 -1.82 -3.28 114.58 117.78 1wfs h GLU 62 Ca -0.33 -0.80 0.02 0.00 0.08 0.00 0.00 59.36 58.33 1wfs h GLU 62 Cb 1.70 0.30 -0.04 0.00 0.50 0.00 0.00 28.75 31.21 1wfs h GLU 62 CO 0.02 1.38 -0.34 1.25 -2.18 0.00 0.00 179.01 179.14 1wfs h LEU 63 N 0.01 -0.99 -1.98 1.64 6.46 -1.76 -0.10 115.31 118.59 1wfs h LEU 63 Ca -0.22 0.11 0.20 0.00 -0.12 0.00 0.00 57.88 57.86 1wfs h LEU 63 Cb 2.00 0.38 -0.03 0.00 -0.73 0.00 0.00 40.66 42.27 1wfs h LEU 63 CO 0.24 -0.42 0.54 0.50 -0.62 0.00 0.00 178.44 178.68 1wfs h LYS 64 N -0.56 0.00 0.00 1.25 3.64 -1.76 0.49 116.57 119.63 1wfs h LYS 64 Ca 0.03 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.24 1wfs h LYS 64 Cb 0.60 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1wfs h LYS 64 CO -0.21 0.00 -0.82 -0.07 -2.27 0.00 0.00 179.45 176.08 1wfs h LEU 65 N 0.00 0.00 -0.08 5.20 4.07 -1.14 -3.20 115.31 120.15 1wfs h LEU 65 Ca 0.34 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.22 1wfs h LEU 65 Cb 1.42 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.15 1wfs h LEU 65 CO -0.00 0.82 -0.37 -0.33 -1.08 0.00 0.00 178.44 177.48 1wfs h GLU 66 N 0.00 0.00 -7.19 1.13 4.39 0.14 -3.45 114.58 109.59 1wfs h GLU 66 Ca -0.01 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 1wfs h GLU 66 Cb 1.57 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 30.26 1wfs h GLU 66 CO 0.11 0.37 0.38 -0.51 -1.16 0.00 0.00 179.01 178.19 1wfs s LEU 67 N -6.43 3.54 0.00 1.33 1.43 -0.39 -5.07 118.68 113.09 1wfs s LEU 67 Ca 0.04 1.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 1wfs s LEU 67 Cb 0.07 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.77 1wfs s LEU 67 CO 0.72 -0.99 0.00 -0.81 0.23 0.00 0.00 176.35 175.50 1wfs n PRO 68 N -1.89 0.29 0.00 1.29 -0.04 -1.26 -4.99 135.00 128.40 1wfs n PRO 68 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1wfs n PRO 68 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.53 1.66 -2.37 0.54 0.00 -1.26 -4.85 120.64 113.82 1wfs n GLU 69 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.02 1wfs n GLU 69 Cb 0.00 -0.73 0.03 0.00 0.00 0.00 0.00 31.44 30.74 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 -1.25 2.81 -3.45 3.44 5.12 -1.26 -4.60 116.66 117.47 1wfs n ARG 70 Ca 0.00 -3.90 -0.11 0.00 -1.93 0.00 0.00 57.85 51.91 1wfs n ARG 70 Cb 0.23 -1.99 -0.09 0.00 -1.16 0.00 0.00 32.46 29.44 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 -3.66 0.30 0.15 5.56 -0.21 -1.26 -4.16 119.66 116.37 1wfs s GLN 71 Ca 0.41 0.60 -0.31 0.00 0.02 0.00 0.00 55.36 56.08 1wfs s GLN 71 Cb 0.38 -0.40 -0.08 0.00 1.00 0.00 0.00 33.01 33.91 1wfs s GLN 71 CO -0.00 -0.54 1.33 -1.25 -2.12 0.00 0.00 175.29 172.71 1wfs s PRO 72 N 2.51 4.36 0.20 2.91 0.04 -1.26 -4.71 135.00 139.05 1wfs s PRO 72 Ca 0.08 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 62.99 1wfs s PRO 72 Cb -0.15 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.19 1wfs s PRO 72 CO -0.14 -0.33 0.52 -0.98 0.04 0.00 0.00 177.00 176.10 1wfs s ARG 73 N 0.53 1.39 0.21 4.56 3.03 -0.73 -4.92 118.95 123.01 1wfs s ARG 73 Ca 0.60 -0.90 -0.00 0.00 2.03 0.00 0.00 55.73 57.46 1wfs s ARG 73 Cb -0.36 0.51 -0.04 0.00 -1.03 0.00 0.00 34.95 34.03 1wfs s ARG 73 CO 0.34 -0.59 0.39 -0.06 -1.13 0.00 0.00 175.30 174.25 1wfs s PHE 74 N -3.88 3.48 -0.20 5.89 0.08 -0.76 -2.49 117.98 120.10 1wfs s PHE 74 Ca 0.10 0.31 -0.10 0.00 0.12 0.00 0.00 56.93 57.36 1wfs s PHE 74 Cb -0.01 -1.83 0.07 0.00 -0.57 0.00 0.00 43.02 40.69 1wfs s PHE 74 CO -0.02 0.38 0.47 0.08 -0.10 0.00 0.00 175.22 176.03 1wfs s VAL 75 N -1.89 -0.23 -0.52 -0.44 1.01 -0.05 -1.80 120.40 116.48 1wfs s VAL 75 Ca 0.38 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.41 1wfs s VAL 75 Cb -0.11 -0.71 0.14 0.00 0.00 0.00 0.00 36.38 35.70 1wfs s VAL 75 CO 0.29 0.04 0.34 -0.69 0.00 0.00 0.00 175.10 175.08 1wfs s VAL 76 N 1.82 3.65 0.02 2.92 1.01 -0.32 0.80 120.40 130.30 1wfs s VAL 76 Ca -0.07 -2.42 -0.20 0.00 0.00 0.00 0.00 61.98 59.29 1wfs s VAL 76 Cb -0.09 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 32.80 1wfs s VAL 76 CO -0.14 -0.79 0.58 -0.47 0.00 0.00 0.00 175.10 174.27 1wfs s TYR 77 N 0.63 3.72 -0.47 5.22 5.04 -1.16 -2.15 117.35 128.18 1wfs s TYR 77 Ca 0.12 1.21 -0.01 0.00 -2.44 0.00 0.00 57.07 55.95 1wfs s TYR 77 Cb -0.22 -2.56 0.12 0.00 0.35 0.00 0.00 41.96 39.66 1wfs s TYR 77 CO -0.04 0.44 0.25 0.45 -1.34 0.00 0.00 175.55 175.31 1wfs s SER 78 N -0.52 5.06 0.68 4.32 0.15 0.11 -2.43 113.70 121.06 1wfs s SER 78 Ca 0.30 -2.38 -0.09 0.00 0.70 0.00 0.00 55.95 54.48 1wfs s SER 78 Cb -0.19 -1.78 0.03 0.00 -1.71 0.00 0.00 66.02 62.37 1wfs s SER 78 CO 0.17 -0.43 1.02 -0.47 1.20 0.00 0.00 173.24 174.73 1wfs s TYR 79 N 0.62 3.18 -0.25 3.44 5.04 -1.25 -3.17 117.35 124.95 1wfs s TYR 79 Ca 0.12 0.75 0.01 0.00 -2.44 0.00 0.00 57.07 55.51 1wfs s TYR 79 Cb -0.22 -3.02 0.05 0.00 0.35 0.00 0.00 41.96 39.12 1wfs s TYR 79 CO -0.04 -1.16 -0.10 0.21 -1.34 0.00 0.00 175.55 173.12 1wfs s LYS 80 N -5.23 2.46 -0.18 4.97 2.20 -1.26 -2.50 119.74 120.21 1wfs s LYS 80 Ca 0.57 -1.21 -0.06 0.00 -0.36 0.00 0.00 55.97 54.91 1wfs s LYS 80 Cb -0.11 -2.91 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1wfs s LYS 80 CO 0.48 -0.50 0.03 -0.47 -0.36 0.00 0.00 175.35 174.53 1wfs s TYR 81 N 1.19 3.17 0.15 4.03 6.14 0.11 -4.97 117.35 127.17 1wfs s TYR 81 Ca -0.05 -0.07 -0.01 0.00 0.64 0.00 0.00 57.07 57.58 1wfs s TYR 81 Cb -0.18 -2.05 -0.04 0.00 0.42 0.00 0.00 41.96 40.10 1wfs s TYR 81 CO -0.05 0.07 0.34 0.08 0.64 0.00 0.00 175.55 176.63 1wfs s VAL 82 N 0.44 5.24 0.00 3.14 1.01 -1.26 -0.80 120.40 128.17 1wfs s VAL 82 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1wfs s VAL 82 Cb -0.13 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1wfs s VAL 82 CO 0.01 -0.05 0.00 1.41 0.00 0.00 0.00 175.10 176.47 1wfs n HIS 83 N -0.28 0.00 0.00 5.22 8.25 0.15 -4.96 115.22 123.60 1wfs n HIS 83 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1wfs n HIS 83 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 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 0.00 0.41 2.03 -1.26 -4.93 116.55 112.80 1wfs n ASP 84 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 1wfs n ASP 84 Cb 0.00 0.02 0.29 0.00 -0.72 0.00 0.00 41.12 40.71 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 -1.25 0.00 0.00 1.67 8.00 -1.26 -4.74 116.55 118.97 1wfs n ASP 85 Ca 0.00 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1wfs n ASP 85 Cb 0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 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 -0.24 1.60 3.52 0.44 0.00 -1.26 -5.12 105.19 104.13 1wfs n GLY 86 Ca 0.05 0.00 -0.34 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 -0.07 3.38 -0.06 1.61 1.81 -1.26 -5.01 118.95 119.36 1wfs s ARG 87 Ca 0.00 -0.53 -0.01 0.00 -1.72 0.00 0.00 55.73 53.48 1wfs s ARG 87 Cb 0.00 -2.81 0.03 0.00 -0.45 0.00 0.00 34.95 31.72 1wfs s ARG 87 CO 0.00 0.38 -0.01 0.54 -0.68 0.00 0.00 175.30 175.53 1wfs s VAL 88 N -0.02 0.36 0.23 3.52 0.11 -1.26 0.32 120.40 123.66 1wfs s VAL 88 Ca 0.01 0.07 0.11 0.00 -2.93 0.00 0.00 61.98 59.24 1wfs s VAL 88 Cb -0.13 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.19 1wfs s VAL 88 CO 0.03 0.23 -0.17 -0.44 -3.33 0.00 0.00 175.10 171.42 1wfs s SER 89 N 1.57 3.79 -0.63 3.54 0.01 0.02 -4.95 113.70 117.04 1wfs s SER 89 Ca -0.01 -0.84 -0.10 0.00 1.31 0.00 0.00 55.95 56.30 1wfs s SER 89 Cb -0.13 -0.43 0.16 0.00 0.21 0.00 0.00 66.02 65.83 1wfs s SER 89 CO -0.03 0.07 0.53 -0.31 0.41 0.00 0.00 173.24 173.91 1wfs s TYR 90 N -2.07 3.51 -0.69 2.43 2.02 -1.26 0.09 117.35 121.39 1wfs s TYR 90 Ca 0.26 -2.02 -0.26 0.00 -0.37 0.00 0.00 57.07 54.69 1wfs s TYR 90 Cb -0.07 -3.58 -0.03 0.00 -0.40 0.00 0.00 41.96 37.88 1wfs s TYR 90 CO 0.14 -0.96 1.88 -1.25 -1.57 0.00 0.00 175.55 173.79 1wfs s PRO 91 N 0.68 2.61 0.27 -1.71 0.04 -1.04 -4.82 135.00 131.04 1wfs s PRO 91 Ca 0.12 0.37 -0.29 0.00 0.04 0.00 0.00 61.00 61.24 1wfs s PRO 91 Cb -0.20 -4.56 -0.09 0.00 0.04 0.00 0.00 34.50 29.68 1wfs s PRO 91 CO -0.04 -2.90 1.18 -0.51 0.04 0.00 0.00 177.00 174.78 1wfs s LEU 92 N 9.32 4.50 0.08 -3.56 1.02 -1.26 -3.84 118.68 124.93 1wfs s LEU 92 Ca 0.68 2.37 0.01 0.00 0.02 0.00 0.00 54.13 57.21 1wfs s LEU 92 Cb -0.11 -3.63 -0.04 0.00 0.02 0.00 0.00 46.19 42.43 1wfs s LEU 92 CO 0.15 -0.30 -0.06 0.00 0.02 0.00 0.00 176.35 176.16 1wfs s PHE 94 N -3.26 3.29 -0.58 0.00 5.36 -0.60 -3.00 117.98 119.20 1wfs s PHE 94 Ca 0.07 -1.32 -0.20 0.00 -0.96 0.00 0.00 56.93 54.52 1wfs s PHE 94 Cb 0.03 -3.40 0.08 0.00 -0.34 0.00 0.00 43.02 39.39 1wfs s PHE 94 CO -0.05 -0.92 0.74 0.42 -1.46 0.00 0.00 175.22 173.95 1wfs s ILE 95 N 1.54 4.73 -0.81 3.12 1.01 0.24 -0.40 121.20 130.62 1wfs s ILE 95 Ca 0.04 -0.67 -0.18 0.00 0.00 0.00 0.00 60.65 59.84 1wfs s ILE 95 Cb -0.26 -4.47 0.14 0.00 0.01 0.00 0.00 42.46 37.88 1wfs s ILE 95 CO 0.03 -1.09 0.95 0.12 0.00 0.00 0.00 174.94 174.95 1wfs s PHE 96 N 2.97 3.20 -0.49 3.97 5.36 0.03 -0.87 117.98 132.16 1wfs s PHE 96 Ca 0.15 -1.37 -0.28 0.00 -0.96 0.00 0.00 56.93 54.47 1wfs s PHE 96 Cb -0.21 -4.12 0.03 0.00 -0.34 0.00 0.00 43.02 38.38 1wfs s PHE 96 CO 0.09 -1.35 1.11 0.45 -1.46 0.00 0.00 175.22 174.06 1wfs s SER 97 N 3.30 6.59 -0.35 6.13 0.15 -1.04 -2.44 113.70 126.06 1wfs s SER 97 Ca 0.24 0.37 -0.00 0.00 0.70 0.00 0.00 55.95 57.26 1wfs s SER 97 Cb -0.11 -2.53 0.11 0.00 -1.71 0.00 0.00 66.02 61.78 1wfs s SER 97 CO -0.05 -1.25 0.15 -0.55 1.20 0.00 0.00 173.24 172.75 1wfs s SER 98 N 2.48 3.76 1.00 5.45 0.15 -1.11 -1.78 113.70 123.64 1wfs s SER 98 Ca 0.46 -1.94 -0.12 0.00 0.70 0.00 0.00 55.95 55.05 1wfs s SER 98 Cb -0.08 -0.81 0.19 0.00 -1.71 0.00 0.00 66.02 63.62 1wfs s SER 98 CO 0.31 -0.37 1.09 -2.16 1.20 0.00 0.00 173.24 173.31 1wfs s PRO 99 N 1.26 0.43 -0.09 5.44 0.04 -1.23 -4.55 135.00 136.29 1wfs s PRO 99 Ca 0.13 0.52 0.15 0.00 0.04 0.00 0.00 61.00 61.84 1wfs s PRO 99 Cb -0.20 -1.74 0.52 0.00 0.04 0.00 0.00 34.50 33.12 1wfs s PRO 99 CO -0.16 -2.73 1.44 1.55 0.04 0.00 0.00 177.00 177.13 1wfs n VAL 100 N -4.18 1.64 0.40 -0.36 3.14 -1.26 -4.38 118.33 113.34 1wfs n VAL 100 Ca 0.05 -1.32 0.11 0.00 -2.96 0.00 0.00 64.34 60.22 1wfs n VAL 100 Cb 0.57 0.16 -0.09 0.00 -1.06 0.00 0.00 33.84 33.43 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 0.46 -1.10 3.90 7.55 0.00 -1.26 -4.97 105.19 109.76 1wfs n GLY 101 Ca 0.19 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1wfs n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfs s LYS 103 N -5.80 3.75 0.09 0.00 1.02 -1.26 -4.92 119.74 112.61 1wfs s LYS 103 Ca 0.72 1.19 0.17 0.00 0.02 0.00 0.00 55.97 58.08 1wfs s LYS 103 Cb -0.05 -2.10 0.73 0.00 -0.52 0.00 0.00 37.83 35.89 1wfs s LYS 103 CO 0.53 -0.45 1.54 -0.35 -0.92 0.00 0.00 175.35 175.69 1wfs n PRO 104 N -1.37 0.06 0.08 -1.68 -0.04 -1.26 -2.22 135.00 128.58 1wfs n PRO 104 Ca 0.08 0.31 -0.05 0.00 -0.04 0.00 0.00 63.50 63.81 1wfs n PRO 104 Cb 0.53 -1.62 -0.05 0.00 -0.04 0.00 0.00 33.50 32.32 1wfs n PRO 104 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wfs h GLU 105 N 0.00 0.00 0.00 0.54 4.39 -2.01 -3.32 114.58 114.18 1wfs h GLU 105 Ca 0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1wfs h GLU 105 Cb 0.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1wfs h GLU 105 CO 0.00 0.86 -1.01 1.04 -1.16 0.00 0.00 179.01 178.74 1wfs n GLN 106 N -3.39 0.51 -0.46 2.33 1.13 -1.02 -3.85 117.38 112.63 1wfs n GLN 106 Ca 0.00 0.43 0.36 0.00 -1.94 0.00 0.00 57.00 55.86 1wfs n GLN 106 Cb 0.86 -1.62 0.58 0.00 0.11 0.00 0.00 30.24 30.17 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 -4.50 -0.01 0.03 -1.09 7.27 -0.94 0.26 117.38 118.39 1wfs n GLN 107 Ca -0.19 0.89 -0.19 0.00 0.07 0.00 0.00 57.00 57.58 1wfs n GLN 107 Cb 0.48 -1.90 -0.13 0.00 2.41 0.00 0.00 30.24 31.10 1wfs n GLN 107 CO 0.00 0.00 0.00 0.52 0.07 0.00 0.00 177.06 177.65 1wfs h MET 108 N 0.00 0.34 -1.19 3.69 2.86 -1.74 -1.64 114.93 117.25 1wfs h MET 108 Ca 0.70 -0.48 0.34 0.00 -2.06 0.00 0.00 59.70 58.20 1wfs h MET 108 Cb 2.56 0.16 -0.09 0.00 0.06 0.00 0.00 31.60 34.29 1wfs h MET 108 CO -0.17 1.18 0.79 0.52 1.06 0.00 0.00 176.91 180.30 1wfs h MET 109 N -0.28 0.20 0.04 1.72 2.86 0.35 0.64 114.93 120.47 1wfs h MET 109 Ca -0.11 -0.01 -0.34 0.00 -2.06 0.00 0.00 59.70 57.17 1wfs h MET 109 Cb 1.50 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 33.07 1wfs h MET 109 CO 0.14 0.13 -2.03 0.66 1.06 0.00 0.00 176.91 176.86 1wfs n TYR 110 N -4.51 0.79 0.26 -0.22 4.02 -1.05 -2.70 117.16 113.75 1wfs n TYR 110 Ca 0.29 0.22 0.13 0.00 -0.01 0.00 0.00 57.90 58.53 1wfs n TYR 110 Cb 1.16 -1.12 0.67 0.00 -0.02 0.00 0.00 39.34 40.03 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 1.13 0.00 -0.72 0.00 0.19 0.56 119.26 120.94 1wfs h ALA 111 Ca -0.42 -0.12 -0.37 0.00 0.00 0.00 0.00 54.91 54.01 1wfs h ALA 111 Cb 2.04 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.74 1wfs h ALA 111 CO 0.05 0.16 -2.36 0.41 0.00 0.00 0.00 179.25 177.51 1wfs n GLY 112 N -0.33 -0.99 0.13 0.00 0.00 0.20 -4.34 105.19 99.86 1wfs n GLY 112 Ca -0.01 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.77 0.99 -0.08 1.61 7.64 -1.10 -4.35 113.62 115.57 1wfs n SER 113 Ca -0.32 -0.79 -0.07 0.00 1.01 0.00 0.00 58.87 58.69 1wfs n SER 113 Cb 1.15 0.47 -0.01 0.00 -1.01 0.00 0.00 64.21 64.82 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 0.63 -0.19 -0.77 1.43 3.64 -0.06 -1.06 116.57 120.19 1wfs h LYS 114 Ca 0.00 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1wfs h LYS 114 Cb 0.54 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 1wfs h LYS 114 CO 0.00 -0.13 0.51 -0.91 -2.27 0.00 0.00 179.45 176.65 1wfs h ASN 115 N -0.20 0.88 0.18 4.20 2.35 -1.83 -1.12 115.58 120.05 1wfs h ASN 115 Ca 0.16 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1wfs h ASN 115 Cb 0.44 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 1wfs h ASN 115 CO -0.42 0.63 -0.37 -0.09 -1.65 0.00 0.00 177.43 175.53 1wfs h ARG 116 N 1.04 -0.62 0.80 0.81 9.65 -1.48 0.14 114.38 124.71 1wfs h ARG 116 Ca 0.29 0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 59.17 1wfs h ARG 116 Cb -0.10 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1wfs h ARG 116 CO -0.07 -0.42 -0.41 1.25 2.80 0.00 0.00 179.97 183.13 1wfs h LEU 117 N -0.65 -0.98 -0.73 3.80 5.85 -1.08 -2.46 115.31 119.05 1wfs h LEU 117 Ca 0.01 0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.90 1wfs h LEU 117 Cb 0.65 0.26 -0.13 0.00 0.37 0.00 0.00 40.66 41.81 1wfs h LEU 117 CO -0.18 -0.67 -0.33 0.58 -0.34 0.00 0.00 178.44 177.49 1wfs h VAL 118 N -1.10 0.13 -0.72 1.05 2.07 -1.12 0.74 116.25 117.29 1wfs h VAL 118 Ca -0.11 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.56 1wfs h VAL 118 Cb 0.86 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1wfs h VAL 118 CO 0.16 0.00 0.48 1.56 0.02 0.00 0.00 177.57 179.79 1wfs h GLN 119 N -0.09 0.34 -0.36 1.57 1.08 -0.86 0.45 115.11 117.23 1wfs h GLN 119 Ca 0.29 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.42 1wfs h GLN 119 Cb 0.57 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1wfs h GLN 119 CO -0.79 0.23 0.03 1.15 -0.95 0.00 0.00 178.83 178.50 1wfs h THR 120 N 0.35 1.25 0.00 -0.54 2.02 0.95 -2.85 112.91 114.09 1wfs h THR 120 Ca 0.35 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.55 1wfs h THR 120 Cb 0.86 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1wfs h THR 120 CO -0.10 0.30 -0.35 0.00 0.37 0.00 0.00 175.52 175.74 1wfs h ALA 121 N 0.89 0.93 -1.58 6.16 0.00 -0.43 -3.46 119.26 121.77 1wfs h ALA 121 Ca 0.11 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1wfs h ALA 121 Cb 0.40 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1wfs h ALA 121 CO 0.01 0.44 -0.13 -1.91 0.00 0.00 0.00 179.25 177.66 1wfs n GLU 122 N -3.41 -1.25 -2.83 0.00 0.00 0.02 -4.77 120.64 108.40 1wfs n GLU 122 Ca 0.00 0.18 -0.43 0.00 0.00 0.00 0.00 57.16 56.92 1wfs n GLU 122 Cb 0.54 -3.42 -0.04 0.00 0.00 0.00 0.00 31.44 28.52 1wfs n GLU 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1wfs s LEU 123 N -1.97 4.02 0.51 4.31 1.43 -1.20 -4.89 118.68 120.88 1wfs s LEU 123 Ca 0.08 0.22 0.32 0.00 -1.03 0.00 0.00 54.13 53.73 1wfs s LEU 123 Cb -0.04 -3.19 1.34 0.00 0.03 0.00 0.00 46.19 44.34 1wfs s LEU 123 CO 0.10 -0.98 1.95 0.00 0.23 0.00 0.00 176.35 177.66 1wfs h THR 124 N 6.00 0.00 -3.62 5.49 1.03 -1.93 -3.41 112.91 116.47 1wfs h THR 124 Ca -0.24 -0.46 -0.65 0.00 -0.01 0.00 0.00 66.41 65.05 1wfs h THR 124 Cb 1.08 1.42 -0.23 0.00 -1.07 0.00 0.00 68.15 69.34 1wfs h THR 124 CO 1.01 0.00 -0.63 -0.54 -0.01 0.00 0.00 175.52 175.34 1wfs s LYS 125 N -3.63 3.61 -0.23 0.00 1.02 -1.26 -5.07 119.74 114.18 1wfs s LYS 125 Ca 0.01 -0.50 0.02 0.00 0.02 0.00 0.00 55.97 55.52 1wfs s LYS 125 Cb 0.09 -3.30 0.05 0.00 -0.52 0.00 0.00 37.83 34.16 1wfs s LYS 125 CO 0.52 -0.20 -0.09 0.08 -0.92 0.00 0.00 175.35 174.74 1wfs s VAL 126 N 1.60 1.80 -0.10 3.17 1.01 -1.26 -1.55 120.40 125.07 1wfs s VAL 126 Ca 0.06 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 60.78 1wfs s VAL 126 Cb -0.15 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1wfs s VAL 126 CO 0.03 0.01 -0.24 -0.36 0.00 0.00 0.00 175.10 174.54 1wfs s PHE 127 N 1.29 2.53 -0.07 5.22 0.08 0.47 -4.96 117.98 122.53 1wfs s PHE 127 Ca -0.05 -1.03 0.02 0.00 0.12 0.00 0.00 56.93 55.99 1wfs s PHE 127 Cb -0.18 -1.69 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 1wfs s PHE 127 CO -0.06 -0.41 -0.14 -2.00 -0.10 0.00 0.00 175.22 172.51 1wfs s GLU 128 N 0.34 2.74 -0.23 0.44 2.12 -1.26 -0.79 118.70 122.07 1wfs s GLU 128 Ca -0.19 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.46 1wfs s GLU 128 Cb -0.18 -2.46 0.03 0.00 0.26 0.00 0.00 34.13 31.79 1wfs s GLU 128 CO 0.09 0.52 -0.12 0.96 -0.54 0.00 0.00 175.26 176.17 1wfs s ILE 129 N -0.46 2.47 0.51 -3.70 -4.36 -1.02 -4.93 121.20 109.71 1wfs s ILE 129 Ca 0.06 -1.11 0.27 0.00 -0.26 0.00 0.00 60.65 59.61 1wfs s ILE 129 Cb -0.12 -2.23 0.44 0.00 1.25 0.00 0.00 42.46 41.80 1wfs s ILE 129 CO 0.02 0.27 1.92 -0.09 0.24 0.00 0.00 174.94 177.29 1wfs h ARG 130 N 7.94 0.07 -2.68 0.37 9.65 -1.87 -2.95 114.38 124.91 1wfs h ARG 130 Ca -0.34 -0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.43 1wfs h ARG 130 Cb 1.11 -0.02 -0.21 0.00 -1.39 0.00 0.00 29.97 29.46 1wfs h ARG 130 CO 0.57 0.05 -0.14 -0.08 2.80 0.00 0.00 179.97 183.17 1wfs s THR 131 N -5.07 0.03 0.24 0.20 -1.32 -1.26 -3.56 115.64 104.89 1wfs s THR 131 Ca -0.06 -0.25 -0.10 0.00 -1.21 0.00 0.00 61.69 60.08 1wfs s THR 131 Cb 0.21 -0.72 0.30 0.00 -1.51 0.00 0.00 72.50 70.79 1wfs s THR 131 CO 0.76 -0.13 1.61 0.71 -2.21 0.00 0.00 174.62 175.36 1wfs h THR 132 N 3.78 0.26 -1.62 5.08 1.35 -1.91 0.32 112.91 120.19 1wfs h THR 132 Ca -0.28 -0.01 0.47 0.00 -0.55 0.00 0.00 66.41 66.04 1wfs h THR 132 Cb 1.17 0.23 -0.06 0.00 -1.73 0.00 0.00 68.15 67.76 1wfs h THR 132 CO 0.35 0.00 1.22 0.47 -0.25 0.00 0.00 175.52 177.32 1wfs n ASP 133 N -5.46 0.00 -0.06 5.36 9.92 -1.26 0.19 116.55 125.25 1wfs n ASP 133 Ca 0.12 0.84 -0.11 0.00 -0.53 0.00 0.00 54.79 55.10 1wfs n ASP 133 Cb 0.42 -0.40 -0.05 0.00 -0.64 0.00 0.00 41.12 40.44 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 0.31 -0.14 -2.24 1.82 -0.74 -3.39 116.42 112.04 1wfs h ASP 134 Ca 0.77 -0.29 -0.08 0.00 -0.39 0.00 0.00 57.03 57.04 1wfs h ASP 134 Cb 3.21 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 43.11 1wfs h ASP 134 CO -0.01 0.52 0.62 -0.11 -1.61 0.00 0.00 179.24 178.65 1wfs n LEU 135 N -4.73 0.30 -4.23 2.28 7.94 0.51 -4.70 117.00 114.38 1wfs n LEU 135 Ca -0.05 -1.54 -0.23 0.00 -1.11 0.00 0.00 56.01 53.08 1wfs n LEU 135 Cb 0.21 -1.25 -0.13 0.00 0.53 0.00 0.00 43.42 42.77 1wfs n LEU 135 CO 0.36 -2.48 -0.50 0.42 -1.11 0.00 0.00 177.39 174.08 1wfs s THR 136 N 9.76 1.50 0.30 1.96 -4.23 -1.26 -4.62 115.64 119.05 1wfs s THR 136 Ca 0.83 -1.23 0.02 0.00 -1.18 0.00 0.00 61.69 60.13 1wfs s THR 136 Cb -0.25 -1.34 0.36 0.00 1.34 0.00 0.00 72.50 72.62 1wfs s THR 136 CO 0.20 0.07 1.60 -0.08 -0.54 0.00 0.00 174.62 175.88 1wfs h GLU 137 N 4.68 0.08 0.48 3.99 4.81 -1.89 -0.28 114.58 126.46 1wfs h GLU 137 Ca -0.42 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1wfs h GLU 137 Cb 1.17 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1wfs h GLU 137 CO 0.43 0.05 -0.23 1.15 -0.73 0.00 0.00 179.01 179.68 1wfs h THR 138 N 0.08 0.00 -0.80 0.32 2.02 -1.95 -1.80 112.91 110.77 1wfs h THR 138 Ca 0.57 -0.36 0.23 0.00 0.77 0.00 0.00 66.41 67.63 1wfs h THR 138 Cb 1.18 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1wfs h THR 138 CO -0.80 0.00 1.01 -0.25 0.37 0.00 0.00 175.52 175.86 1wfs h TRP 139 N -1.01 0.00 0.00 3.16 7.01 -1.61 0.23 115.95 123.73 1wfs h TRP 139 Ca -0.07 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.93 1wfs h TRP 139 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.56 1wfs h TRP 139 CO 0.02 0.00 -0.15 1.25 -2.79 0.00 0.00 178.44 176.77 1wfs h LEU 140 N 0.00 0.00 -2.21 0.65 5.85 -0.97 -3.33 115.31 115.30 1wfs h LEU 140 Ca 0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1wfs h LEU 140 Cb 2.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.43 1wfs h LEU 140 CO -0.00 0.47 0.26 0.11 -0.34 0.00 0.00 178.44 178.93 1wfs h LYS 141 N -0.78 0.00 0.49 1.25 1.57 -0.20 -1.96 116.57 116.94 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 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1wfs h LYS 141 CO 0.00 0.00 -0.24 0.93 -0.57 0.00 0.00 179.45 179.57 1wfs h GLU 142 N 0.00 -0.64 -0.92 3.15 5.08 -0.75 0.21 114.58 120.71 1wfs h GLU 142 Ca 0.00 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1wfs h GLU 142 Cb 0.53 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 1wfs h GLU 142 CO 0.00 -0.34 0.60 0.87 -1.00 0.00 0.00 179.01 179.15 1wfs h LYS 143 N -0.92 1.15 -0.05 2.33 1.79 -1.47 -2.79 116.57 116.61 1wfs h LYS 143 Ca -0.07 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1wfs h LYS 143 Cb 0.60 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1wfs h LYS 143 CO 0.11 0.76 0.00 -0.07 -1.08 0.00 0.00 179.45 179.18 1wfs h LEU 144 N 1.19 0.09 -0.35 2.94 3.38 -1.49 0.27 115.31 121.35 1wfs h LEU 144 Ca 0.36 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1wfs h LEU 144 Cb -0.05 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1wfs h LEU 144 CO -0.10 0.38 -0.21 0.00 0.09 0.00 0.00 178.44 178.60 1wfs n ALA 145 N -2.27 -0.22 -2.13 1.53 0.00 0.73 -1.85 120.51 116.29 1wfs n ALA 145 Ca -0.07 0.30 -0.28 0.00 0.00 0.00 0.00 53.44 53.39 1wfs n ALA 145 Cb 0.18 0.20 0.02 0.00 0.00 0.00 0.00 19.45 19.85 1wfs n ALA 145 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wfs n SER 146 N -3.76 5.34 0.00 0.00 7.64 -1.21 -5.09 113.62 116.55 1wfs n SER 146 Ca 0.01 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.14 1wfs n SER 146 Cb 0.09 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 1wfs n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfs n GLY 147 N -0.62 0.76 3.65 0.23 0.00 0.94 -4.36 105.19 105.79 1wfs n GLY 147 Ca 0.45 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 4.00 -0.22 1.61 0.04 -1.25 -4.44 135.00 134.75 1wfs s PRO 148 Ca 0.00 1.84 -0.09 0.00 0.04 0.00 0.00 61.00 62.79 1wfs s PRO 148 Cb 0.00 -3.97 -0.10 0.00 0.04 0.00 0.00 34.50 30.47 1wfs s PRO 148 CO 0.00 -1.04 -0.27 0.43 0.04 0.00 0.00 177.00 176.16 1wfs n SER 149 N 7.68 1.63 -4.48 6.66 7.64 -1.26 -4.80 113.62 126.69 1wfs n SER 149 Ca 0.17 0.22 -0.43 0.00 1.01 0.00 0.00 58.87 59.84 1wfs n SER 149 Cb 0.44 -0.60 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 1wfs n SER 149 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfs s SER 150 N -6.84 6.76 0.00 6.43 0.15 -1.26 -5.26 113.70 113.69 1wfs s SER 150 Ca -0.30 -2.28 0.00 0.00 0.70 0.00 0.00 55.95 54.07 1wfs s SER 150 Cb 0.11 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1wfs s SER 150 CO 0.39 -1.05 0.00 0.61 1.20 0.00 0.00 173.24 174.40