#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 2.91 0.57 1.61 0.01 -1.26 -5.07 113.70 112.48 1wfs s SER 2 Ca 0.00 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.18 1wfs s SER 2 Cb 0.00 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1wfs s SER 2 CO 0.00 -0.17 0.00 -1.20 0.41 0.00 0.00 173.24 172.28 1wfs n SER 3 N -0.51 -8.41 0.03 2.44 7.64 -1.26 -5.02 113.62 108.54 1wfs n SER 3 Ca -0.06 1.75 -0.01 0.00 1.01 0.00 0.00 58.87 61.56 1wfs n SER 3 Cb 0.61 -4.97 -0.00 0.00 -1.01 0.00 0.00 64.21 58.84 1wfs n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfs n GLY 4 N -2.30 -0.07 2.34 0.23 0.00 -1.26 -5.13 105.19 99.01 1wfs n GLY 4 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.40 -7.56 0.00 1.61 7.64 -1.26 -5.03 113.62 105.62 1wfs n SER 5 Ca -0.01 1.71 0.00 0.00 1.01 0.00 0.00 58.87 61.58 1wfs n SER 5 Cb 0.04 -4.68 0.00 0.00 -1.01 0.00 0.00 64.21 58.56 1wfs n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfs n SER 6 N 1.88 0.31 -3.15 6.43 2.88 -1.26 -5.10 113.62 115.61 1wfs n SER 6 Ca -0.03 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.56 1wfs n SER 6 Cb 0.05 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.50 1wfs n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wfs s GLY 7 N -4.36 -0.46 0.38 0.46 0.00 -1.26 -4.83 107.32 97.25 1wfs s GLY 7 Ca 0.00 2.62 0.04 0.00 0.00 0.00 0.00 44.72 47.38 1wfs s GLY 7 CO 0.00 3.84 0.10 -0.45 0.00 0.00 0.00 173.10 176.59 1wfs s SER 8 N 2.95 2.64 -0.46 1.64 0.15 -1.26 -4.96 113.70 114.40 1wfs s SER 8 Ca 0.04 -1.57 -0.18 0.00 0.70 0.00 0.00 55.95 54.94 1wfs s SER 8 Cb -0.09 0.31 0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1wfs s SER 8 CO -0.13 -0.82 0.62 0.47 1.20 0.00 0.00 173.24 174.58 1wfs n ASP 9 N -1.07 -7.55 -1.12 5.45 8.00 -1.26 -4.78 116.55 114.23 1wfs n ASP 9 Ca -0.05 0.38 0.14 0.00 0.71 0.00 0.00 54.79 55.96 1wfs n ASP 9 Cb 0.66 -4.79 -0.04 0.00 -0.02 0.00 0.00 41.12 36.92 1wfs n ASP 9 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1wfs n SER 10 N -0.40 -6.16 -2.05 -2.24 2.88 -1.26 -5.02 113.62 99.37 1wfs n SER 10 Ca 0.08 0.60 -0.09 0.00 -1.33 0.00 0.00 58.87 58.13 1wfs n SER 10 Cb 0.50 -3.57 -0.03 0.00 -0.75 0.00 0.00 64.21 60.36 1wfs n SER 10 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wfs n LEU 11 N -3.44 0.00 -2.12 2.46 4.77 -1.26 -5.04 117.00 112.37 1wfs n LEU 11 Ca -0.01 -1.50 -0.23 0.00 -0.03 0.00 0.00 56.01 54.24 1wfs n LEU 11 Cb 0.63 1.02 0.03 0.00 -2.33 0.00 0.00 43.42 42.77 1wfs n LEU 11 CO 0.02 -0.29 1.34 0.52 -1.33 0.00 0.00 177.39 177.65 1wfs n VAL 12 N -0.30 3.07 -1.35 4.08 0.31 -1.26 -4.96 118.33 117.91 1wfs n VAL 12 Ca 0.02 -2.23 -0.53 0.00 -0.01 0.00 0.00 64.34 61.60 1wfs n VAL 12 Cb 0.30 -1.35 -0.12 0.00 -0.91 0.00 0.00 33.84 31.75 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 0.18 0.01 -2.95 2.52 0.31 -1.26 -4.70 118.33 112.44 1wfs n VAL 13 Ca 0.40 -0.04 -0.18 0.00 -0.01 0.00 0.00 64.34 64.52 1wfs n VAL 13 Cb 0.58 -0.64 0.07 0.00 -0.91 0.00 0.00 33.84 32.94 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 -4.39 2.42 -0.77 0.00 -1.05 -1.19 -4.92 118.70 108.81 1wfs s GLU 15 Ca 0.54 -1.01 -0.26 0.00 -0.15 0.00 0.00 54.97 54.09 1wfs s GLU 15 Cb -0.04 -2.41 0.04 0.00 -0.44 0.00 0.00 34.13 31.28 1wfs s GLU 15 CO 0.35 0.49 1.26 0.54 0.95 0.00 0.00 175.26 178.84 1wfs s VAL 16 N -1.54 3.84 0.14 1.83 0.11 -1.26 -0.41 120.40 123.10 1wfs s VAL 16 Ca 0.26 0.14 -0.18 0.00 -2.93 0.00 0.00 61.98 59.28 1wfs s VAL 16 Cb -0.10 -4.90 -0.11 0.00 -1.53 0.00 0.00 36.38 29.73 1wfs s VAL 16 CO 0.18 -1.81 0.32 -0.67 -3.33 0.00 0.00 175.10 169.79 1wfs n ASP 17 N 9.06 -0.88 0.15 3.54 -0.08 -0.83 -4.63 116.55 122.88 1wfs n ASP 17 Ca 0.06 0.73 0.00 0.00 -1.51 0.00 0.00 54.79 54.07 1wfs n ASP 17 Cb 0.49 -0.62 0.25 0.00 2.34 0.00 0.00 41.12 43.58 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 0.04 0.00 -0.67 0.13 -1.93 -1.35 132.00 128.85 1wfs h PRO 18 Ca -0.19 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.84 1wfs h PRO 18 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1wfs h PRO 18 CO 0.37 0.52 -0.38 1.05 -0.23 0.00 0.00 178.00 179.32 1wfs h GLU 19 N 0.03 0.00 0.12 0.86 -0.00 -1.94 -3.21 114.58 110.44 1wfs h GLU 19 Ca -0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 59.36 59.02 1wfs h GLU 19 Cb 0.87 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.61 1wfs h GLU 19 CO 0.07 0.38 -1.83 1.25 -0.00 0.00 0.00 179.01 178.88 1wfs h LEU 20 N 0.00 0.40 -0.89 3.06 6.46 -1.81 -3.34 115.31 119.18 1wfs h LEU 20 Ca -0.00 -0.75 0.24 0.00 -0.12 0.00 0.00 57.88 57.25 1wfs h LEU 20 Cb 0.93 -0.13 -0.15 0.00 -0.73 0.00 0.00 40.66 40.58 1wfs h LEU 20 CO 0.05 1.66 0.16 0.50 -0.62 0.00 0.00 178.44 180.19 1wfs h LYS 21 N 0.07 0.13 -0.26 1.25 3.64 -1.25 0.22 116.57 120.37 1wfs h LYS 21 Ca -0.36 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.97 1wfs h LYS 21 Cb 2.04 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.82 1wfs h LYS 21 CO 0.12 0.09 0.01 0.93 -2.27 0.00 0.00 179.45 178.33 1wfs h GLU 22 N 0.14 0.46 -0.67 1.90 5.08 -1.72 -2.79 114.58 116.98 1wfs h GLU 22 Ca 0.55 -0.14 0.14 0.00 -1.00 0.00 0.00 59.36 58.91 1wfs h GLU 22 Cb 1.12 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.20 1wfs h GLU 22 CO -0.72 0.62 -0.13 1.15 -1.00 0.00 0.00 179.01 178.92 1wfs h THR 23 N 0.25 0.35 0.35 1.13 2.02 -0.71 -0.03 112.91 116.27 1wfs h THR 23 Ca 0.08 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 1wfs h THR 23 Cb 0.40 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1wfs h THR 23 CO 0.01 0.00 -0.17 -0.07 0.37 0.00 0.00 175.52 175.67 1wfs h LEU 24 N 0.02 -0.40 -1.97 2.58 3.38 -1.35 0.34 115.31 117.92 1wfs h LEU 24 Ca 0.33 -0.04 0.23 0.00 0.09 0.00 0.00 57.88 58.49 1wfs h LEU 24 Cb 0.52 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1wfs h LEU 24 CO -0.67 -0.21 0.61 -0.09 0.09 0.00 0.00 178.44 178.16 1wfs h ARG 25 N -0.55 0.00 0.16 1.13 2.43 -1.01 0.39 114.38 116.94 1wfs h ARG 25 Ca -0.05 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.77 1wfs h ARG 25 Cb 0.41 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1wfs h ARG 25 CO 0.08 0.00 -1.83 0.87 -1.51 0.00 0.00 179.97 177.58 1wfs h LYS 26 N 0.00 0.34 0.00 0.20 1.57 -0.50 -3.26 116.57 114.93 1wfs h LYS 26 Ca 0.37 -0.59 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1wfs h LYS 26 Cb 1.58 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 34.11 1wfs h LYS 26 CO -0.00 1.27 -0.01 0.35 -0.57 0.00 0.00 179.45 180.49 1wfs h PHE 27 N 0.09 0.00 0.08 -1.35 3.57 0.17 0.44 116.94 119.95 1wfs h PHE 27 Ca -0.37 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 60.84 1wfs h PHE 27 Cb 2.08 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.80 1wfs h PHE 27 CO 0.09 0.01 -1.47 0.00 -2.23 0.00 0.00 178.31 174.72 1wfs h ARG 28 N 0.00 0.18 -0.86 1.11 3.08 -1.33 -3.36 114.38 113.19 1wfs h ARG 28 Ca -0.00 -0.30 -0.53 0.00 0.07 0.00 0.00 59.98 59.22 1wfs h ARG 28 Cb 0.06 0.11 -0.43 0.00 0.08 0.00 0.00 29.97 29.80 1wfs h ARG 28 CO 0.00 1.01 -0.83 1.19 -1.07 0.00 0.00 179.97 180.28 1wfs n PHE 29 N -3.38 2.74 -2.63 3.04 3.72 -0.58 -5.04 117.46 115.32 1wfs n PHE 29 Ca -0.14 -2.38 -0.16 0.00 -0.05 0.00 0.00 57.45 54.72 1wfs n PHE 29 Cb 1.03 -0.29 0.08 0.00 -0.94 0.00 0.00 39.48 39.36 1wfs n PHE 29 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1wfs n ARG 30 N -0.65 0.23 0.12 -1.08 1.85 0.14 -4.94 116.66 112.33 1wfs n ARG 30 Ca 0.40 -2.06 0.08 0.00 -1.00 0.00 0.00 57.85 55.27 1wfs n ARG 30 Cb 0.90 -0.42 0.43 0.00 -1.05 0.00 0.00 32.46 32.33 1wfs n ARG 30 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1wfs n LYS 31 N -2.26 0.10 0.00 2.89 4.01 -1.26 -4.84 118.16 116.80 1wfs n LYS 31 Ca 0.12 0.59 0.00 0.00 -0.51 0.00 0.00 58.31 58.51 1wfs n LYS 31 Cb 0.43 -1.83 0.00 0.00 -0.51 0.00 0.00 35.03 33.12 1wfs n LYS 31 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1wfs n GLU 32 N -2.05 0.00 -1.10 1.97 1.02 -1.26 -4.65 120.64 114.57 1wfs n GLU 32 Ca -0.01 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.05 1wfs n GLU 32 Cb 0.04 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.42 1wfs n GLU 32 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1wfs n THR 33 N 0.00 0.00 -3.65 2.62 -2.24 -1.26 -4.85 114.28 104.90 1wfs n THR 33 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1wfs n THR 33 Cb 0.00 -0.94 -0.07 0.00 -2.10 0.00 0.00 70.33 67.22 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 -1.72 -0.66 -0.10 3.42 4.22 -1.26 -5.11 114.94 113.74 1wfs s ASN 34 Ca 0.00 1.26 -0.35 0.00 -2.14 0.00 0.00 52.86 51.63 1wfs s ASN 34 Cb 0.00 1.79 -0.12 0.00 1.28 0.00 0.00 41.25 44.20 1wfs s ASN 34 CO 0.00 -0.23 1.85 0.59 -2.04 0.00 0.00 177.10 177.28 1wfs n ASN 35 N 5.42 3.32 -4.08 3.54 3.02 -1.26 -4.53 115.26 120.69 1wfs n ASN 35 Ca -0.10 0.99 -0.07 0.00 -0.03 0.00 0.00 54.58 55.36 1wfs n ASN 35 Cb 0.49 -1.35 -0.10 0.00 -0.61 0.00 0.00 39.78 38.21 1wfs n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wfs s ALA 36 N 3.86 0.49 -0.01 5.41 0.00 -1.20 0.20 121.76 130.52 1wfs s ALA 36 Ca 0.93 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 1wfs s ALA 36 Cb -0.73 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 1wfs s ALA 36 CO 0.52 -0.39 0.03 0.00 0.00 0.00 0.00 175.76 175.93 1wfs s ALA 37 N -3.93 -0.07 -0.28 0.00 0.00 0.69 -0.52 121.76 117.65 1wfs s ALA 37 Ca 0.09 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.01 1wfs s ALA 37 Cb 0.08 -0.01 0.08 0.00 0.00 0.00 0.00 23.12 23.27 1wfs s ALA 37 CO -0.09 -0.07 -0.02 0.42 0.00 0.00 0.00 175.76 176.00 1wfs s ILE 38 N -0.41 1.88 -0.36 0.00 1.01 -0.74 -1.27 121.20 121.30 1wfs s ILE 38 Ca -0.05 -1.70 -0.22 0.00 0.00 0.00 0.00 60.65 58.68 1wfs s ILE 38 Cb -0.03 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.25 1wfs s ILE 38 CO -0.00 -0.29 0.71 -0.63 0.00 0.00 0.00 174.94 174.74 1wfs s ILE 39 N 1.18 4.81 0.11 2.92 1.01 -0.20 -1.49 121.20 129.53 1wfs s ILE 39 Ca -0.00 0.72 0.06 0.00 0.00 0.00 0.00 60.65 61.43 1wfs s ILE 39 Cb -0.19 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 1wfs s ILE 39 CO -0.08 -0.39 -0.03 -0.04 0.00 0.00 0.00 174.94 174.40 1wfs s MET 40 N 2.92 2.39 0.37 2.79 -1.94 0.14 0.13 119.30 126.09 1wfs s MET 40 Ca 0.28 -0.94 0.04 0.00 -1.71 0.00 0.00 55.69 53.35 1wfs s MET 40 Cb -0.14 -2.44 -0.03 0.00 2.01 0.00 0.00 34.83 34.23 1wfs s MET 40 CO 0.16 0.52 0.13 -1.59 -0.01 0.00 0.00 175.02 174.22 1wfs s LYS 41 N -2.39 1.81 -0.17 2.03 -2.85 -0.40 -0.39 119.74 117.38 1wfs s LYS 41 Ca 0.25 -2.07 0.00 0.00 -1.00 0.00 0.00 55.97 53.15 1wfs s LYS 41 Cb -0.11 -0.53 0.03 0.00 -2.06 0.00 0.00 37.83 35.16 1wfs s LYS 41 CO 0.17 -0.42 -0.11 0.54 0.10 0.00 0.00 175.35 175.63 1wfs s VAL 42 N -3.31 1.50 -0.23 1.79 0.11 -1.26 0.31 120.40 119.30 1wfs s VAL 42 Ca 0.29 -0.76 -0.29 0.00 -2.93 0.00 0.00 61.98 58.29 1wfs s VAL 42 Cb 0.04 -1.52 0.01 0.00 -1.53 0.00 0.00 36.38 33.38 1wfs s VAL 42 CO 0.15 0.29 1.08 -1.81 -3.33 0.00 0.00 175.10 171.49 1wfs s ASP 43 N 1.49 7.05 0.52 3.54 1.11 -0.43 -4.87 116.67 125.07 1wfs s ASP 43 Ca 0.02 1.38 0.30 0.00 0.18 0.00 0.00 52.55 54.42 1wfs s ASP 43 Cb -0.14 -2.54 1.39 0.00 1.07 0.00 0.00 42.92 42.69 1wfs s ASP 43 CO -0.09 -0.72 2.02 0.50 1.18 0.00 0.00 175.17 178.06 1wfs h LYS 44 N 7.66 0.00 -0.16 8.23 3.11 -1.96 1.70 116.57 135.15 1wfs h LYS 44 Ca -0.20 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.45 1wfs h LYS 44 Cb 1.07 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.30 1wfs h LYS 44 CO 0.99 0.11 -0.67 -0.44 -2.81 0.00 0.00 179.45 176.62 1wfs h ASP 45 N 0.00 0.72 -0.08 4.20 3.32 -1.97 -3.26 116.42 119.35 1wfs h ASP 45 Ca -0.00 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1wfs h ASP 45 Cb 0.45 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1wfs h ASP 45 CO 0.01 1.19 0.00 0.54 -1.72 0.00 0.00 179.24 179.27 1wfs n ARG 46 N -3.92 0.94 -4.21 3.56 1.74 -1.01 -5.00 116.66 108.76 1wfs n ARG 46 Ca -0.05 -1.30 -0.39 0.00 -0.77 0.00 0.00 57.85 55.34 1wfs n ARG 46 Cb 0.68 -1.21 -0.04 0.00 -1.02 0.00 0.00 32.46 30.87 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 0.57 -0.59 -3.83 5.56 1.13 0.57 -4.92 117.38 115.87 1wfs n GLN 47 Ca 0.07 0.07 -0.11 0.00 -1.94 0.00 0.00 57.00 55.09 1wfs n GLN 47 Cb 0.29 -3.04 -0.09 0.00 0.11 0.00 0.00 30.24 27.52 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 -7.45 0.64 -0.55 -1.09 0.23 -1.11 -3.15 119.30 106.82 1wfs s MET 48 Ca 0.24 -0.48 -0.25 0.00 -1.03 0.00 0.00 55.69 54.18 1wfs s MET 48 Cb -0.13 0.27 0.04 0.00 -1.53 0.00 0.00 34.83 33.48 1wfs s MET 48 CO 0.99 -0.18 0.97 0.08 -2.03 0.00 0.00 175.02 174.86 1wfs s VAL 49 N -2.01 4.34 -0.06 5.16 1.01 0.45 -1.31 120.40 127.98 1wfs s VAL 49 Ca -0.09 0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.31 1wfs s VAL 49 Cb -0.04 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.76 1wfs s VAL 49 CO -0.01 -1.13 -0.18 0.68 0.00 0.00 0.00 175.10 174.46 1wfs s VAL 50 N 4.08 2.71 0.42 2.92 -7.23 0.15 -1.96 120.40 121.48 1wfs s VAL 50 Ca 0.32 -0.84 -0.22 0.00 -1.81 0.00 0.00 61.98 59.43 1wfs s VAL 50 Cb -0.12 -2.05 -0.13 0.00 0.56 0.00 0.00 36.38 34.65 1wfs s VAL 50 CO 0.20 0.57 0.55 -0.11 -0.31 0.00 0.00 175.10 176.01 1wfs n LEU 51 N 2.66 -0.03 -0.03 1.32 0.00 -1.26 -1.28 117.00 118.37 1wfs n LEU 51 Ca -0.17 0.91 -0.05 0.00 0.00 0.00 0.00 56.01 56.71 1wfs n LEU 51 Cb 0.52 -1.11 -0.03 0.00 0.00 0.00 0.00 43.42 42.80 1wfs n LEU 51 CO 0.26 -2.87 -0.73 1.21 0.00 0.00 0.00 177.39 175.26 1wfs n GLU 52 N 0.61 0.24 -3.51 1.96 4.07 0.12 -4.62 120.64 119.50 1wfs n GLU 52 Ca 0.11 0.04 -0.10 0.00 -0.06 0.00 0.00 57.16 57.16 1wfs n GLU 52 Cb 0.39 -1.14 -0.02 0.00 -0.06 0.00 0.00 31.44 30.61 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 -4.65 -0.44 -0.20 4.31 1.01 0.40 -5.01 116.67 112.10 1wfs s ASP 53 Ca -0.09 -0.08 -0.04 0.00 0.71 0.00 0.00 52.55 53.05 1wfs s ASP 53 Cb 0.02 0.52 0.10 0.00 1.01 0.00 0.00 42.92 44.57 1wfs s ASP 53 CO 0.16 -0.86 0.26 -1.61 0.21 0.00 0.00 175.17 173.33 1wfs s GLU 54 N -3.49 0.21 -0.09 8.23 2.02 -1.26 -1.04 118.70 123.28 1wfs s GLU 54 Ca 0.04 0.36 0.01 0.00 0.02 0.00 0.00 54.97 55.40 1wfs s GLU 54 Cb -0.01 -0.87 -0.02 0.00 0.10 0.00 0.00 34.13 33.32 1wfs s GLU 54 CO -0.09 -0.59 -0.12 -0.51 0.02 0.00 0.00 175.26 173.97 1wfs s LEU 55 N 2.38 2.85 0.23 1.80 1.43 -0.39 -5.00 118.68 121.98 1wfs s LEU 55 Ca 0.07 -0.21 0.10 0.00 -1.03 0.00 0.00 54.13 53.06 1wfs s LEU 55 Cb -0.15 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 1wfs s LEU 55 CO -0.12 0.27 -0.07 -1.10 0.23 0.00 0.00 176.35 175.55 1wfs s GLN 56 N -0.25 2.10 -1.26 1.70 1.11 -1.26 -0.22 119.66 121.57 1wfs s GLN 56 Ca 0.02 -1.40 -0.06 0.00 0.01 0.00 0.00 55.36 53.93 1wfs s GLN 56 Cb -0.13 -2.11 -0.01 0.00 -1.01 0.00 0.00 33.01 29.76 1wfs s GLN 56 CO 0.03 0.39 0.68 0.27 0.01 0.00 0.00 175.29 176.67 1wfs n ASN 57 N -0.44 -2.50 -4.12 5.90 0.23 0.52 -4.91 115.26 109.94 1wfs n ASN 57 Ca -0.08 -0.91 -0.23 0.00 -0.53 0.00 0.00 54.58 52.83 1wfs n ASN 57 Cb 0.58 -3.73 -0.15 0.00 -2.08 0.00 0.00 39.78 34.40 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 -3.66 1.18 0.76 1.53 -1.16 0.97 -4.94 121.20 115.88 1wfs s ILE 58 Ca 0.17 -0.63 -0.10 0.00 -0.51 0.00 0.00 60.65 59.57 1wfs s ILE 58 Cb -0.05 -0.99 0.07 0.00 0.61 0.00 0.00 42.46 42.09 1wfs s ILE 58 CO 0.84 0.34 1.11 -0.44 -2.81 0.00 0.00 174.94 173.98 1wfs s SER 59 N -0.31 4.72 0.00 4.50 0.01 -1.26 -4.36 113.70 117.01 1wfs s SER 59 Ca 0.05 0.72 0.14 0.00 1.31 0.00 0.00 55.95 58.17 1wfs s SER 59 Cb -0.06 -1.31 0.81 0.00 0.21 0.00 0.00 66.02 65.67 1wfs s SER 59 CO -0.00 -1.73 1.23 -0.81 0.41 0.00 0.00 173.24 172.33 1wfs n PRO 60 N -3.15 0.49 -0.07 12.44 -0.04 -1.26 -2.20 135.00 141.21 1wfs n PRO 60 Ca 0.08 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1wfs n PRO 60 Cb 0.60 -1.43 -0.15 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.82 0.09 0.54 1.02 -1.26 -4.26 120.64 116.65 1wfs n GLU 61 Ca 0.10 -0.06 -0.23 0.00 -0.02 0.00 0.00 57.16 56.95 1wfs n GLU 61 Cb 0.05 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 29.83 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 0.41 -0.02 3.49 4.39 -1.81 -3.31 114.58 117.73 1wfs h GLU 62 Ca -0.36 -0.70 0.03 0.00 0.34 0.00 0.00 59.36 58.67 1wfs h GLU 62 Cb 1.80 0.26 -0.05 0.00 -0.10 0.00 0.00 28.75 30.67 1wfs h GLU 62 CO 0.02 1.34 -0.26 1.25 -1.16 0.00 0.00 179.01 180.19 1wfs h LEU 63 N -0.07 -0.79 -0.70 1.33 6.46 -1.76 -0.80 115.31 118.99 1wfs h LEU 63 Ca -0.25 0.11 0.15 0.00 -0.12 0.00 0.00 57.88 57.77 1wfs h LEU 63 Cb 1.96 0.33 -0.11 0.00 -0.73 0.00 0.00 40.66 42.10 1wfs h LEU 63 CO 0.20 -0.33 0.08 0.50 -0.62 0.00 0.00 178.44 178.27 1wfs h LYS 64 N -0.39 0.17 -0.15 1.25 3.64 -1.74 0.36 116.57 119.71 1wfs h LYS 64 Ca 0.07 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1wfs h LYS 64 Cb 0.49 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1wfs h LYS 64 CO -0.25 0.11 -0.10 -0.07 -2.27 0.00 0.00 179.45 176.87 1wfs h LEU 65 N 0.18 0.22 -0.76 5.20 3.38 -1.47 -2.37 115.31 119.69 1wfs h LEU 65 Ca 0.38 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.19 1wfs h LEU 65 Cb 0.65 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1wfs h LEU 65 CO -0.55 0.36 -0.35 -0.33 0.09 0.00 0.00 178.44 177.66 1wfs h GLU 66 N 0.23 0.54 -7.20 1.13 4.39 0.11 -3.44 114.58 110.32 1wfs h GLU 66 Ca 0.05 -0.25 -0.52 0.00 0.34 0.00 0.00 59.36 58.98 1wfs h GLU 66 Cb 0.33 -0.01 0.14 0.00 -0.10 0.00 0.00 28.75 29.11 1wfs h GLU 66 CO 0.02 0.81 0.36 -0.51 -1.16 0.00 0.00 179.01 178.53 1wfs s LEU 67 N -8.57 3.27 0.00 1.33 1.43 -0.41 -5.03 118.68 110.69 1wfs s LEU 67 Ca -0.07 2.19 -0.01 0.00 -1.03 0.00 0.00 54.13 55.20 1wfs s LEU 67 Cb 0.13 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.80 1wfs s LEU 67 CO 0.81 -2.14 0.08 -0.81 0.23 0.00 0.00 176.35 174.52 1wfs n PRO 68 N -2.84 -1.17 -0.09 1.29 -0.04 -1.26 -5.00 135.00 125.88 1wfs n PRO 68 Ca 0.12 -0.12 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1wfs n PRO 68 Cb 0.51 -0.11 -0.12 0.00 -0.04 0.00 0.00 33.50 33.74 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 -1.75 1.06 -2.69 0.54 0.28 -1.26 -4.76 120.64 112.07 1wfs n GLU 69 Ca 0.01 0.03 -0.08 0.00 -0.16 0.00 0.00 57.16 56.96 1wfs n GLU 69 Cb 0.04 -1.42 0.06 0.00 1.43 0.00 0.00 31.44 31.55 1wfs n GLU 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wfs n ARG 70 N -2.77 1.16 -3.75 3.44 5.12 -1.26 -4.86 116.66 113.73 1wfs n ARG 70 Ca -0.30 -2.71 -0.27 0.00 -1.93 0.00 0.00 57.85 52.64 1wfs n ARG 70 Cb 0.99 -0.81 -0.17 0.00 -1.16 0.00 0.00 32.46 31.32 1wfs n ARG 70 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1wfs s GLN 71 N -1.84 0.69 0.23 5.56 1.11 -1.26 -4.63 119.66 119.52 1wfs s GLN 71 Ca 0.25 -0.37 -0.30 0.00 0.01 0.00 0.00 55.36 54.96 1wfs s GLN 71 Cb 0.43 -1.97 -0.09 0.00 -1.01 0.00 0.00 33.01 30.37 1wfs s GLN 71 CO -0.01 -0.59 1.28 -1.25 0.01 0.00 0.00 175.29 174.73 1wfs s PRO 72 N 1.86 4.41 0.10 2.91 0.04 -1.26 -4.72 135.00 138.34 1wfs s PRO 72 Ca -0.00 2.05 -0.26 0.00 0.04 0.00 0.00 61.00 62.83 1wfs s PRO 72 Cb -0.16 -3.17 0.08 0.00 0.04 0.00 0.00 34.50 31.28 1wfs s PRO 72 CO -0.08 -0.18 1.00 -0.98 0.04 0.00 0.00 177.00 176.80 1wfs s ARG 73 N -0.59 1.01 0.13 4.56 1.70 -1.02 -4.90 118.95 119.85 1wfs s ARG 73 Ca 0.54 -0.54 -0.04 0.00 -0.47 0.00 0.00 55.73 55.22 1wfs s ARG 73 Cb -0.36 0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 34.32 1wfs s ARG 73 CO 0.41 -0.46 0.35 -0.06 -1.08 0.00 0.00 175.30 174.46 1wfs s PHE 74 N -3.12 3.48 -0.19 5.89 0.08 0.48 -1.84 117.98 122.76 1wfs s PHE 74 Ca 0.12 0.51 -0.08 0.00 0.12 0.00 0.00 56.93 57.59 1wfs s PHE 74 Cb -0.00 -1.97 0.08 0.00 -0.57 0.00 0.00 43.02 40.56 1wfs s PHE 74 CO -0.00 0.45 0.42 0.08 -0.10 0.00 0.00 175.22 176.07 1wfs s VAL 75 N -1.64 -0.36 -0.42 -0.44 1.01 0.37 0.24 120.40 119.15 1wfs s VAL 75 Ca 0.40 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.45 1wfs s VAL 75 Cb -0.12 -0.65 0.10 0.00 0.00 0.00 0.00 36.38 35.71 1wfs s VAL 75 CO 0.25 0.05 0.25 -0.69 0.00 0.00 0.00 175.10 174.97 1wfs s VAL 76 N 2.06 3.79 -0.02 2.92 1.01 -0.56 0.90 120.40 130.50 1wfs s VAL 76 Ca -0.05 -1.77 -0.15 0.00 0.00 0.00 0.00 61.98 60.01 1wfs s VAL 76 Cb -0.10 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1wfs s VAL 76 CO -0.13 -0.64 0.41 -0.47 0.00 0.00 0.00 175.10 174.27 1wfs s TYR 77 N 1.29 3.69 -0.40 5.22 5.04 -1.06 -1.79 117.35 129.33 1wfs s TYR 77 Ca 0.05 0.96 0.04 0.00 -2.44 0.00 0.00 57.07 55.68 1wfs s TYR 77 Cb -0.24 -2.32 0.11 0.00 0.35 0.00 0.00 41.96 39.86 1wfs s TYR 77 CO -0.01 0.57 0.12 0.45 -1.34 0.00 0.00 175.55 175.34 1wfs s SER 78 N -0.81 4.62 0.37 4.32 0.15 0.32 -2.20 113.70 120.47 1wfs s SER 78 Ca 0.24 -2.45 -0.09 0.00 0.70 0.00 0.00 55.95 54.34 1wfs s SER 78 Cb -0.16 -1.64 -0.06 0.00 -1.71 0.00 0.00 66.02 62.45 1wfs s SER 78 CO 0.13 -0.33 0.71 -0.47 1.20 0.00 0.00 173.24 174.47 1wfs s TYR 79 N 0.49 3.47 -0.38 3.44 6.14 -1.26 -3.20 117.35 126.06 1wfs s TYR 79 Ca 0.13 0.92 -0.09 0.00 0.64 0.00 0.00 57.07 58.67 1wfs s TYR 79 Cb -0.21 -2.34 0.05 0.00 0.42 0.00 0.00 41.96 39.88 1wfs s TYR 79 CO -0.05 -0.03 0.19 0.21 0.64 0.00 0.00 175.55 176.50 1wfs s LYS 80 N -3.79 2.66 -0.18 4.97 2.20 -1.26 -2.60 119.74 121.73 1wfs s LYS 80 Ca 0.49 -1.26 -0.09 0.00 -0.36 0.00 0.00 55.97 54.75 1wfs s LYS 80 Cb -0.10 -3.65 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 1wfs s LYS 80 CO 0.31 -0.78 0.12 -0.47 -0.36 0.00 0.00 175.35 174.18 1wfs s TYR 81 N 1.45 3.43 0.03 4.03 6.14 0.26 -4.95 117.35 127.73 1wfs s TYR 81 Ca 0.01 0.34 -0.00 0.00 0.64 0.00 0.00 57.07 58.06 1wfs s TYR 81 Cb -0.21 -2.12 -0.04 0.00 0.42 0.00 0.00 41.96 40.02 1wfs s TYR 81 CO 0.04 0.35 0.13 0.08 0.64 0.00 0.00 175.55 176.79 1wfs s VAL 82 N 0.13 5.01 0.00 3.14 1.01 -1.26 0.70 120.40 129.13 1wfs s VAL 82 Ca 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1wfs s VAL 82 Cb -0.11 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1wfs s VAL 82 CO -0.01 0.24 0.00 1.41 0.00 0.00 0.00 175.10 176.75 1wfs n HIS 83 N 0.75 0.00 0.00 5.22 8.25 0.15 -4.94 115.22 124.65 1wfs n HIS 83 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1wfs n HIS 83 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1wfs n HIS 83 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1wfs n ASP 84 N -0.21 0.00 0.11 0.41 8.00 -1.26 -4.96 116.55 118.65 1wfs n ASP 84 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 1wfs n ASP 84 Cb 0.00 0.00 0.34 0.00 -0.02 0.00 0.00 41.12 41.44 1wfs n ASP 84 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1wfs h ASP 85 N 0.00 0.00 0.00 -2.24 3.32 -2.06 -3.46 116.42 111.99 1wfs h ASP 85 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1wfs h ASP 85 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1wfs h ASP 85 CO 0.00 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 1wfs n GLY 86 N 1.29 0.20 3.38 2.75 0.00 -1.26 -5.14 105.19 106.41 1wfs n GLY 86 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 2.94 -0.07 1.61 1.81 -1.26 -5.02 118.95 118.95 1wfs s ARG 87 Ca 0.00 -0.73 0.01 0.00 -1.72 0.00 0.00 55.73 53.29 1wfs s ARG 87 Cb 0.00 -2.46 0.02 0.00 -0.45 0.00 0.00 34.95 32.06 1wfs s ARG 87 CO 0.00 0.38 -0.10 0.54 -0.68 0.00 0.00 175.30 175.44 1wfs s VAL 88 N -0.10 1.01 0.11 3.52 0.11 -1.26 0.31 120.40 124.10 1wfs s VAL 88 Ca -0.03 -0.37 0.11 0.00 -2.93 0.00 0.00 61.98 58.76 1wfs s VAL 88 Cb -0.14 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 1wfs s VAL 88 CO 0.04 0.34 -0.27 -0.44 -3.33 0.00 0.00 175.10 171.44 1wfs s SER 89 N 0.99 3.29 -0.59 3.54 0.01 0.22 -4.95 113.70 116.22 1wfs s SER 89 Ca -0.09 -0.72 -0.08 0.00 1.31 0.00 0.00 55.95 56.37 1wfs s SER 89 Cb -0.15 -0.23 0.15 0.00 0.21 0.00 0.00 66.02 66.00 1wfs s SER 89 CO -0.00 0.19 0.45 -0.31 0.41 0.00 0.00 173.24 173.99 1wfs s TYR 90 N -1.01 3.50 -0.69 2.43 2.02 -1.26 0.93 117.35 123.26 1wfs s TYR 90 Ca 0.14 -2.19 -0.26 0.00 -0.37 0.00 0.00 57.07 54.38 1wfs s TYR 90 Cb -0.10 -3.45 -0.03 0.00 -0.40 0.00 0.00 41.96 37.98 1wfs s TYR 90 CO 0.05 -0.94 1.88 -1.25 -1.57 0.00 0.00 175.55 173.72 1wfs s PRO 91 N 0.66 2.61 -0.08 -1.71 0.04 -1.07 -4.83 135.00 130.63 1wfs s PRO 91 Ca 0.12 0.37 -0.30 0.00 0.04 0.00 0.00 61.00 61.23 1wfs s PRO 91 Cb -0.21 -4.56 -0.03 0.00 0.04 0.00 0.00 34.50 29.73 1wfs s PRO 91 CO -0.03 -2.90 1.31 -0.51 0.04 0.00 0.00 177.00 174.90 1wfs s LEU 92 N 9.34 4.26 0.21 -3.56 1.02 -1.26 -4.01 118.68 124.67 1wfs s LEU 92 Ca 0.68 1.88 0.11 0.00 0.02 0.00 0.00 54.13 56.82 1wfs s LEU 92 Cb -0.11 -3.55 -0.05 0.00 0.02 0.00 0.00 46.19 42.50 1wfs s LEU 92 CO 0.15 -0.70 -0.21 0.00 0.02 0.00 0.00 176.35 175.61 1wfs s PHE 94 N -2.05 3.27 -0.19 0.00 2.19 -1.07 -2.58 117.98 117.56 1wfs s PHE 94 Ca 0.22 -1.10 -0.17 0.00 0.33 0.00 0.00 56.93 56.21 1wfs s PHE 94 Cb -0.06 -3.03 -0.04 0.00 -1.31 0.00 0.00 43.02 38.58 1wfs s PHE 94 CO 0.10 -0.79 0.44 0.42 1.83 0.00 0.00 175.22 177.22 1wfs s ILE 95 N 1.57 5.18 -0.32 3.12 1.01 0.26 -1.21 121.20 130.80 1wfs s ILE 95 Ca 0.04 0.81 -0.06 0.00 0.00 0.00 0.00 60.65 61.43 1wfs s ILE 95 Cb -0.23 -3.77 0.03 0.00 0.01 0.00 0.00 42.46 38.50 1wfs s ILE 95 CO 0.05 0.25 0.08 0.12 0.00 0.00 0.00 174.94 175.44 1wfs s PHE 96 N 1.27 3.22 -0.72 3.97 5.36 -1.09 -0.48 117.98 129.50 1wfs s PHE 96 Ca 0.21 -1.34 -0.27 0.00 -0.96 0.00 0.00 56.93 54.58 1wfs s PHE 96 Cb -0.15 -2.25 0.02 0.00 -0.34 0.00 0.00 43.02 40.31 1wfs s PHE 96 CO 0.09 -0.69 1.37 0.45 -1.46 0.00 0.00 175.22 174.97 1wfs s SER 97 N 1.42 6.03 -0.40 6.13 0.15 -0.77 -1.81 113.70 124.45 1wfs s SER 97 Ca -0.01 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.32 1wfs s SER 97 Cb -0.19 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.69 1wfs s SER 97 CO 0.02 -1.92 0.18 -0.55 1.20 0.00 0.00 173.24 172.17 1wfs s SER 98 N 4.42 3.97 0.33 5.45 0.15 -0.73 -2.44 113.70 124.86 1wfs s SER 98 Ca 0.40 -2.32 0.00 0.00 0.70 0.00 0.00 55.95 54.73 1wfs s SER 98 Cb -0.09 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 1wfs s SER 98 CO 0.16 -0.32 0.00 -0.81 1.20 0.00 0.00 173.24 173.46 1wfs n PRO 99 N 3.96 0.32 0.00 5.44 -0.04 -1.25 -3.85 135.00 139.58 1wfs n PRO 99 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1wfs n PRO 99 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1wfs n PRO 99 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wfs n VAL 100 N -1.18 0.00 1.37 0.52 0.31 -1.25 -4.68 118.33 113.41 1wfs n VAL 100 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 1wfs n VAL 100 Cb 0.00 -0.47 0.21 0.00 -0.91 0.00 0.00 33.84 32.67 1wfs n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wfs n GLY 101 N 3.06 -0.68 1.55 2.92 0.00 -1.26 -4.79 105.19 105.99 1wfs n GLY 101 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.16 2.74 0.41 0.00 1.02 -1.26 -5.01 119.74 113.48 1wfs s LYS 103 Ca 0.30 -0.68 0.29 0.00 0.02 0.00 0.00 55.97 55.90 1wfs s LYS 103 Cb -0.01 -2.65 1.20 0.00 -0.52 0.00 0.00 37.83 35.85 1wfs s LYS 103 CO 0.21 0.59 1.86 -1.00 -0.92 0.00 0.00 175.35 176.09 1wfs h PRO 104 N 3.92 0.00 -0.25 -1.68 0.13 -1.97 -2.08 132.00 130.07 1wfs h PRO 104 Ca -0.48 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 1wfs h PRO 104 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1wfs h PRO 104 CO 0.59 0.00 -0.49 0.93 -0.23 0.00 0.00 178.00 178.80 1wfs h GLU 105 N 0.00 0.70 0.00 0.86 4.39 -1.94 -3.10 114.58 115.49 1wfs h GLU 105 Ca 0.00 -0.41 -0.02 0.00 0.34 0.00 0.00 59.36 59.26 1wfs h GLU 105 Cb 0.43 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1wfs h GLU 105 CO 0.00 1.03 -0.55 1.96 -1.16 0.00 0.00 179.01 180.29 1wfs h GLN 106 N 0.55 0.00 -0.95 2.33 1.08 -1.95 -3.35 115.11 112.82 1wfs h GLN 106 Ca 0.02 0.00 0.38 0.00 -1.45 0.00 0.00 58.65 57.60 1wfs h GLN 106 Cb 1.05 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.34 1wfs h GLN 106 CO 0.10 0.11 0.54 0.94 -0.95 0.00 0.00 178.83 179.57 1wfs n GLN 107 N -4.61 -0.05 -0.19 1.46 0.00 -0.80 0.23 117.38 113.42 1wfs n GLN 107 Ca -0.09 1.18 -0.08 0.00 -0.00 0.00 0.00 57.00 58.01 1wfs n GLN 107 Cb 0.29 -2.16 0.02 0.00 0.00 0.00 0.00 30.24 28.38 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 0.84 -0.60 3.69 2.86 -1.71 0.49 114.93 120.49 1wfs h MET 108 Ca 0.75 -0.17 0.16 0.00 -2.06 0.00 0.00 59.70 58.38 1wfs h MET 108 Cb 2.08 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 33.59 1wfs h MET 108 CO -0.61 0.76 0.43 0.52 1.06 0.00 0.00 176.91 179.06 1wfs h MET 109 N 0.75 0.08 0.02 1.72 2.86 0.28 0.16 114.93 120.80 1wfs h MET 109 Ca 0.18 -0.01 -0.35 0.00 -2.06 0.00 0.00 59.70 57.47 1wfs h MET 109 Cb 0.26 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.84 1wfs h MET 109 CO -0.01 0.06 -2.13 0.66 1.06 0.00 0.00 176.91 176.54 1wfs n TYR 110 N -4.39 0.48 0.20 -0.22 4.02 -0.92 -3.13 117.16 113.20 1wfs n TYR 110 Ca 0.11 0.15 0.04 0.00 -0.01 0.00 0.00 57.90 58.19 1wfs n TYR 110 Cb 0.62 -1.08 0.40 0.00 -0.02 0.00 0.00 39.34 39.26 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 0.73 1.43 0.00 -0.72 0.00 0.95 0.92 119.26 122.57 1wfs h ALA 111 Ca -0.45 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1wfs h ALA 111 Cb 2.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 1wfs h ALA 111 CO 0.03 0.40 -1.54 0.41 0.00 0.00 0.00 179.25 178.56 1wfs n GLY 112 N -0.57 -1.22 0.00 0.00 0.00 0.47 -4.19 105.19 99.69 1wfs n GLY 112 Ca -0.02 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.49 0.67 -0.10 1.61 7.64 -1.11 -4.50 113.62 115.34 1wfs n SER 113 Ca -0.03 -0.60 -0.08 0.00 1.01 0.00 0.00 58.87 59.17 1wfs n SER 113 Cb 0.59 1.37 -0.02 0.00 -1.01 0.00 0.00 64.21 65.14 1wfs n SER 113 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1wfs h LYS 114 N 0.00 -0.27 -0.80 1.43 3.64 0.71 -0.28 116.57 120.99 1wfs h LYS 114 Ca 0.00 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1wfs h LYS 114 Cb 0.67 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 1wfs h LYS 114 CO 0.00 -0.18 0.48 -2.95 -2.27 0.00 0.00 179.45 174.53 1wfs h ASN 115 N -0.28 0.72 0.22 4.20 7.08 -1.82 -0.49 115.58 125.21 1wfs h ASN 115 Ca 0.16 0.03 0.01 0.00 -3.08 0.00 0.00 56.30 53.42 1wfs h ASN 115 Cb 0.54 -0.11 -0.03 0.00 -2.08 0.00 0.00 38.32 36.64 1wfs h ASN 115 CO -0.51 0.44 -0.36 -0.09 -2.08 0.00 0.00 177.43 174.83 1wfs h ARG 116 N 0.85 -0.63 0.93 4.14 9.65 -1.34 0.29 114.38 128.27 1wfs h ARG 116 Ca 0.37 0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 59.24 1wfs h ARG 116 Cb 0.24 0.14 0.01 0.00 -1.39 0.00 0.00 29.97 28.97 1wfs h ARG 116 CO -0.20 -0.42 -0.46 1.25 2.80 0.00 0.00 179.97 182.94 1wfs h LEU 117 N -0.65 -1.09 -0.45 3.80 5.85 -0.91 -2.12 115.31 119.74 1wfs h LEU 117 Ca 0.01 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1wfs h LEU 117 Cb 0.64 0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.86 1wfs h LEU 117 CO -0.15 -0.77 -0.32 0.58 -0.34 0.00 0.00 178.44 177.45 1wfs h VAL 118 N -1.26 0.23 -0.82 1.05 2.07 -1.04 0.29 116.25 116.76 1wfs h VAL 118 Ca -0.13 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.56 1wfs h VAL 118 Cb 0.97 0.23 -0.11 0.00 -1.52 0.00 0.00 31.29 30.86 1wfs h VAL 118 CO 0.20 0.00 0.34 1.56 0.02 0.00 0.00 177.57 179.70 1wfs h GLN 119 N -0.22 0.43 -0.58 1.57 4.20 -0.37 0.30 115.11 120.44 1wfs h GLN 119 Ca 0.19 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.91 1wfs h GLN 119 Cb 0.53 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 1wfs h GLN 119 CO -0.57 0.29 0.34 1.15 -0.67 0.00 0.00 178.83 179.36 1wfs h THR 120 N 0.45 1.02 0.00 -0.54 2.02 -0.25 -1.43 112.91 114.18 1wfs h THR 120 Ca 0.47 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 67.37 1wfs h THR 120 Cb 0.79 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1wfs h THR 120 CO -0.45 0.12 -0.30 0.00 0.37 0.00 0.00 175.52 175.26 1wfs h ALA 121 N 1.28 1.12 -1.23 6.16 0.00 -0.35 -3.46 119.26 122.77 1wfs h ALA 121 Ca 0.24 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1wfs h ALA 121 Cb 0.08 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1wfs h ALA 121 CO -0.13 0.38 -0.12 -1.91 0.00 0.00 0.00 179.25 177.47 1wfs n GLU 122 N -3.63 -0.92 -2.98 0.00 2.13 -0.11 -4.78 120.64 110.36 1wfs n GLU 122 Ca -0.01 0.19 -0.42 0.00 0.66 0.00 0.00 57.16 57.58 1wfs n GLU 122 Cb 0.43 -3.59 -0.05 0.00 0.27 0.00 0.00 31.44 28.49 1wfs n GLU 122 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1wfs s LEU 123 N -1.69 4.15 0.04 4.31 1.43 -1.21 -4.94 118.68 120.76 1wfs s LEU 123 Ca 0.05 0.33 -0.23 0.00 -1.03 0.00 0.00 54.13 53.26 1wfs s LEU 123 Cb -0.02 -2.99 -0.15 0.00 0.03 0.00 0.00 46.19 43.06 1wfs s LEU 123 CO 0.07 -0.71 1.48 0.74 0.23 0.00 0.00 176.35 178.16 1wfs h THR 124 N 5.74 1.24 -3.25 5.49 2.02 -1.93 -3.42 112.91 118.80 1wfs h THR 124 Ca -0.25 -0.77 -0.56 0.00 0.77 0.00 0.00 66.41 65.61 1wfs h THR 124 Cb 1.10 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 69.04 1wfs h THR 124 CO 0.90 0.22 0.57 -0.54 0.37 0.00 0.00 175.52 177.04 1wfs s LYS 125 N -5.01 4.42 -0.26 6.66 1.02 -1.26 -5.02 119.74 120.28 1wfs s LYS 125 Ca -0.14 1.39 -0.02 0.00 0.02 0.00 0.00 55.97 57.21 1wfs s LYS 125 Cb 0.05 -3.55 0.09 0.00 -0.52 0.00 0.00 37.83 33.90 1wfs s LYS 125 CO 0.70 -0.33 0.08 0.08 -0.92 0.00 0.00 175.35 174.96 1wfs s VAL 126 N 2.06 0.54 0.32 3.17 1.01 -1.26 -2.58 120.40 123.65 1wfs s VAL 126 Ca 0.48 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1wfs s VAL 126 Cb -0.18 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1wfs s VAL 126 CO 0.17 -0.52 0.49 -0.36 0.00 0.00 0.00 175.10 174.88 1wfs s PHE 127 N 1.81 3.36 -0.05 5.22 0.08 -0.35 -4.98 117.98 123.06 1wfs s PHE 127 Ca 0.06 0.08 -0.01 0.00 0.12 0.00 0.00 56.93 57.18 1wfs s PHE 127 Cb -0.17 -1.87 0.03 0.00 -0.57 0.00 0.00 43.02 40.44 1wfs s PHE 127 CO -0.22 0.13 0.03 -2.00 -0.10 0.00 0.00 175.22 173.06 1wfs s GLU 128 N -4.21 0.21 -0.16 0.44 -6.30 -1.26 -2.68 118.70 104.74 1wfs s GLU 128 Ca 0.40 0.23 -0.08 0.00 -2.50 0.00 0.00 54.97 53.02 1wfs s GLU 128 Cb -0.09 -0.63 -0.04 0.00 0.00 0.00 0.00 34.13 33.36 1wfs s GLU 128 CO 0.33 -0.28 0.12 0.96 0.02 0.00 0.00 175.26 176.41 1wfs s ILE 129 N 1.83 5.30 -1.12 -3.70 -4.36 -0.75 -4.96 121.20 113.44 1wfs s ILE 129 Ca 0.01 0.14 0.28 0.00 -0.26 0.00 0.00 60.65 60.83 1wfs s ILE 129 Cb -0.12 -3.36 0.24 0.00 1.25 0.00 0.00 42.46 40.46 1wfs s ILE 129 CO -0.03 0.52 1.81 -1.14 0.24 0.00 0.00 174.94 176.34 1wfs n ARG 130 N 2.85 0.12 -3.62 0.37 3.00 -1.25 -1.77 116.66 116.37 1wfs n ARG 130 Ca -0.18 -0.03 -0.07 0.00 -0.00 0.00 0.00 57.85 57.57 1wfs n ARG 130 Cb 0.53 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.43 1wfs n ARG 130 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1wfs s THR 131 N -2.90 0.00 0.31 5.15 -1.32 -1.26 -3.86 115.64 111.76 1wfs s THR 131 Ca 0.16 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.71 1wfs s THR 131 Cb 0.19 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.49 1wfs s THR 131 CO 0.56 0.00 1.66 0.71 -2.21 0.00 0.00 174.62 175.34 1wfs h THR 132 N 2.89 0.34 -1.09 5.08 1.35 -1.89 0.44 112.91 120.02 1wfs h THR 132 Ca -0.21 -0.10 0.31 0.00 -0.55 0.00 0.00 66.41 65.86 1wfs h THR 132 Cb 1.18 0.03 -0.11 0.00 -1.73 0.00 0.00 68.15 67.51 1wfs h THR 132 CO 0.21 0.05 0.68 0.44 -0.25 0.00 0.00 175.52 176.65 1wfs h ASP 133 N 0.28 0.45 0.23 5.36 3.32 -1.96 -0.94 116.42 123.17 1wfs h ASP 133 Ca 0.61 0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.79 1wfs h ASP 133 Cb 1.28 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.85 1wfs h ASP 133 CO -0.62 -0.00 -0.48 0.44 -1.72 0.00 0.00 179.24 176.86 1wfs h ASP 134 N 0.34 -1.38 -0.27 6.45 3.32 -0.53 -3.38 116.42 120.97 1wfs h ASP 134 Ca 0.67 0.14 -0.38 0.00 0.02 0.00 0.00 57.03 57.48 1wfs h ASP 134 Cb 1.71 0.50 -0.07 0.00 0.22 0.00 0.00 39.33 41.69 1wfs h ASP 134 CO -0.40 -0.56 1.61 -0.11 -1.72 0.00 0.00 179.24 178.06 1wfs n LEU 135 N -5.50 0.14 -4.05 1.55 7.94 -0.36 -4.74 117.00 111.98 1wfs n LEU 135 Ca -0.09 -0.40 -0.16 0.00 -1.11 0.00 0.00 56.01 54.25 1wfs n LEU 135 Cb 0.41 -0.97 -0.13 0.00 0.53 0.00 0.00 43.42 43.26 1wfs n LEU 135 CO 0.20 -1.36 -0.42 0.42 -1.11 0.00 0.00 177.39 175.13 1wfs s THR 136 N 7.01 0.65 0.32 1.96 -4.23 -1.26 -4.73 115.64 115.35 1wfs s THR 136 Ca 1.24 -0.75 0.04 0.00 -1.18 0.00 0.00 61.69 61.04 1wfs s THR 136 Cb -0.81 -0.62 0.41 0.00 1.34 0.00 0.00 72.50 72.82 1wfs s THR 136 CO 0.43 -0.10 1.56 1.21 -0.54 0.00 0.00 174.62 177.19 1wfs n GLU 137 N 2.12 -0.08 0.17 3.99 2.13 -1.26 -0.90 120.64 126.82 1wfs n GLU 137 Ca -0.18 1.48 -0.07 0.00 0.66 0.00 0.00 57.16 59.05 1wfs n GLU 137 Cb 0.56 -2.38 -0.03 0.00 0.27 0.00 0.00 31.44 29.85 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 -1.01 6.31 2.02 -1.96 -1.46 112.91 116.82 1wfs h THR 138 Ca 0.63 -0.31 0.29 0.00 0.77 0.00 0.00 66.41 67.79 1wfs h THR 138 Cb 1.34 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1wfs h THR 138 CO -0.92 0.00 1.15 -0.25 0.37 0.00 0.00 175.52 175.87 1wfs h TRP 139 N -0.79 0.00 0.00 3.16 7.01 -1.57 0.25 115.95 124.02 1wfs h TRP 139 Ca -0.05 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.95 1wfs h TRP 139 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 1wfs h TRP 139 CO 0.04 0.00 -0.11 1.25 -2.79 0.00 0.00 178.44 176.83 1wfs h LEU 140 N 0.00 0.00 -1.55 0.65 5.85 -0.94 -3.33 115.31 115.99 1wfs h LEU 140 Ca 0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.20 1wfs h LEU 140 Cb 2.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.81 1wfs h LEU 140 CO -0.01 0.26 0.43 0.11 -0.34 0.00 0.00 178.44 178.89 1wfs h LYS 141 N -0.41 0.00 0.32 1.25 1.57 -0.07 -0.76 116.57 118.47 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 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1wfs h LYS 141 CO 0.00 0.00 -0.15 0.93 -0.57 0.00 0.00 179.45 179.66 1wfs h GLU 142 N 0.00 -0.41 -0.66 3.15 5.08 -0.70 0.15 114.58 121.19 1wfs h GLU 142 Ca 0.00 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1wfs h GLU 142 Cb 0.86 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 1wfs h GLU 142 CO 0.00 -0.09 0.24 0.87 -1.00 0.00 0.00 179.01 179.04 1wfs h LYS 143 N -0.79 0.98 -0.13 2.33 1.79 -1.26 -2.97 116.57 116.53 1wfs h LYS 143 Ca -0.04 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.23 1wfs h LYS 143 Cb 0.51 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1wfs h LYS 143 CO 0.07 0.82 0.00 -0.07 -1.08 0.00 0.00 179.45 179.19 1wfs h LEU 144 N 0.96 0.22 -0.09 2.94 3.38 -1.48 -1.83 115.31 119.40 1wfs h LEU 144 Ca 0.22 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1wfs h LEU 144 Cb 0.22 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1wfs h LEU 144 CO -0.02 0.46 -0.05 0.00 0.09 0.00 0.00 178.44 178.92 1wfs n ALA 145 N -2.29 -0.06 -2.42 1.53 0.00 0.04 -4.45 120.51 112.86 1wfs n ALA 145 Ca -0.06 0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1wfs n ALA 145 Cb 0.20 0.31 0.04 0.00 0.00 0.00 0.00 19.45 20.00 1wfs n ALA 145 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wfs n SER 146 N -3.00 -0.61 0.00 0.00 2.88 -1.24 -5.12 113.62 106.53 1wfs n SER 146 Ca 0.00 -1.42 0.00 0.00 -1.33 0.00 0.00 58.87 56.12 1wfs n SER 146 Cb 0.02 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1wfs n SER 146 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfs n GLY 147 N -0.56 -0.29 0.70 0.46 0.00 -0.69 -5.05 105.19 99.75 1wfs n GLY 147 Ca -0.09 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.40 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 0.38 -1.44 -3.06 1.61 -0.04 -1.26 -4.73 135.00 126.45 1wfs n PRO 148 Ca 0.00 -0.35 -0.40 0.00 -0.04 0.00 0.00 63.50 62.71 1wfs n PRO 148 Cb 0.00 -0.33 -0.05 0.00 -0.04 0.00 0.00 33.50 33.08 1wfs n PRO 148 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfs s SER 149 N -2.10 6.92 -0.35 3.54 0.15 -1.26 -5.00 113.70 115.60 1wfs s SER 149 Ca 0.14 1.10 -0.02 0.00 0.70 0.00 0.00 55.95 57.87 1wfs s SER 149 Cb -0.01 -2.40 0.19 0.00 -1.71 0.00 0.00 66.02 62.09 1wfs s SER 149 CO 0.11 -0.16 0.87 -0.55 1.20 0.00 0.00 173.24 174.71 1wfs s SER 150 N 0.88 -0.85 0.00 5.45 0.15 -1.26 -5.25 113.70 112.81 1wfs s SER 150 Ca 0.35 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1wfs s SER 150 Cb -0.17 1.17 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 1wfs s SER 150 CO 0.16 -0.11 0.10 0.61 1.20 0.00 0.00 173.24 175.20