#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 -0.34 0.19 1.61 0.15 -1.26 -5.08 113.70 108.97 1wfs s SER 2 Ca 0.00 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1wfs s SER 2 Cb 0.00 1.33 0.00 0.00 -1.71 0.00 0.00 66.02 65.64 1wfs s SER 2 CO 0.00 -0.23 0.00 -1.20 1.20 0.00 0.00 173.24 173.01 1wfs n SER 3 N 5.24 -7.06 0.00 5.45 7.64 -1.26 -4.90 113.62 118.73 1wfs n SER 3 Ca -0.11 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1wfs n SER 3 Cb 0.50 -3.71 0.00 0.00 -1.01 0.00 0.00 64.21 59.99 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 1.01 3.63 2.95 0.23 0.00 -1.26 -5.08 105.19 106.67 1wfs n GLY 4 Ca 0.00 -0.94 -0.53 0.00 0.00 0.00 0.00 46.02 44.55 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 0.86 0.05 1.61 2.88 -1.26 -4.72 113.62 113.05 1wfs n SER 5 Ca 0.00 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1wfs n SER 5 Cb 0.00 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 1wfs n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wfs n SER 6 N 2.97 -0.51 -0.12 -3.46 3.41 -1.26 -4.97 113.62 109.68 1wfs n SER 6 Ca 0.24 0.19 -0.15 0.00 -0.26 0.00 0.00 58.87 58.88 1wfs n SER 6 Cb -0.04 0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 64.45 1wfs n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfs n GLY 7 N 0.33 -0.48 2.56 5.00 0.00 -1.26 -5.08 105.19 106.26 1wfs n GLY 7 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 1wfs n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfs n SER 8 N -3.11 -6.90 -2.69 1.61 7.64 -1.26 -5.05 113.62 103.87 1wfs n SER 8 Ca -0.41 0.73 -0.04 0.00 1.01 0.00 0.00 58.87 60.16 1wfs n SER 8 Cb 1.00 -4.58 0.05 0.00 -1.01 0.00 0.00 64.21 59.67 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 0.02 -1.78 -1.00 6.43 -0.08 -1.26 -5.15 116.55 113.74 1wfs n ASP 9 Ca 0.06 -1.65 0.12 0.00 -1.51 0.00 0.00 54.79 51.81 1wfs n ASP 9 Cb 0.23 0.95 -0.04 0.00 2.34 0.00 0.00 41.12 44.60 1wfs n ASP 9 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1wfs n SER 10 N 2.22 -5.25 -1.84 1.67 3.41 -1.26 -5.02 113.62 107.55 1wfs n SER 10 Ca 0.09 0.51 -0.07 0.00 -0.26 0.00 0.00 58.87 59.14 1wfs n SER 10 Cb 0.65 -3.20 -0.02 0.00 -0.26 0.00 0.00 64.21 61.38 1wfs n SER 10 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wfs n LEU 11 N -3.14 0.00 -2.53 1.04 4.77 -1.26 -5.06 117.00 110.82 1wfs n LEU 11 Ca -0.01 -1.19 -0.35 0.00 -0.03 0.00 0.00 56.01 54.42 1wfs n LEU 11 Cb 0.61 0.82 0.05 0.00 -2.33 0.00 0.00 43.42 42.57 1wfs n LEU 11 CO 0.01 -0.23 1.27 0.55 -1.33 0.00 0.00 177.39 177.66 1wfs n VAL 12 N -0.24 3.42 -1.41 4.08 3.14 -1.26 -5.04 118.33 121.02 1wfs n VAL 12 Ca 0.02 -3.72 -0.47 0.00 -2.96 0.00 0.00 64.34 57.20 1wfs n VAL 12 Cb 0.24 -1.20 -0.03 0.00 -1.06 0.00 0.00 33.84 31.79 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 -0.72 1.88 -4.49 1.55 0.31 -1.26 -4.86 118.33 110.73 1wfs n VAL 13 Ca 0.56 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 64.12 1wfs n VAL 13 Cb 0.53 -0.09 -0.05 0.00 -0.91 0.00 0.00 33.84 33.32 1wfs n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wfs s GLU 15 N -3.61 2.55 -0.69 0.00 -1.05 -1.17 -4.92 118.70 109.81 1wfs s GLU 15 Ca 0.05 -1.39 -0.20 0.00 -0.15 0.00 0.00 54.97 53.28 1wfs s GLU 15 Cb -0.00 -2.32 0.10 0.00 -0.44 0.00 0.00 34.13 31.47 1wfs s GLU 15 CO 0.03 0.18 0.90 0.54 0.95 0.00 0.00 175.26 177.85 1wfs s VAL 16 N -2.34 4.61 0.14 1.83 0.11 -1.26 -0.98 120.40 122.52 1wfs s VAL 16 Ca 0.37 -0.88 -0.18 0.00 -2.93 0.00 0.00 61.98 58.36 1wfs s VAL 16 Cb -0.05 -4.63 -0.11 0.00 -1.53 0.00 0.00 36.38 30.06 1wfs s VAL 16 CO 0.24 -1.34 0.32 -0.67 -3.33 0.00 0.00 175.10 170.32 1wfs n ASP 17 N 6.89 -0.90 0.13 3.54 -0.08 -0.95 -4.59 116.55 120.60 1wfs n ASP 17 Ca -0.00 0.73 -0.01 0.00 -1.51 0.00 0.00 54.79 54.00 1wfs n ASP 17 Cb 0.45 -0.62 0.24 0.00 2.34 0.00 0.00 41.12 43.53 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 0.09 0.00 -0.67 0.13 -1.95 -0.17 132.00 130.06 1wfs h PRO 18 Ca -0.19 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.80 1wfs h PRO 18 Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1wfs h PRO 18 CO 0.37 0.56 -0.43 1.05 -0.23 0.00 0.00 178.00 179.32 1wfs h GLU 19 N 0.08 0.00 0.13 0.86 -0.00 -1.95 -3.27 114.58 110.43 1wfs h GLU 19 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 59.36 59.01 1wfs h GLU 19 Cb 0.88 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.62 1wfs h GLU 19 CO 0.07 0.43 -1.90 1.25 -0.00 0.00 0.00 179.01 178.86 1wfs h LEU 20 N 0.00 0.43 -0.95 3.06 6.46 -1.82 -3.35 115.31 119.14 1wfs h LEU 20 Ca -0.00 -0.93 0.24 0.00 -0.12 0.00 0.00 57.88 57.06 1wfs h LEU 20 Cb 1.04 -0.14 -0.18 0.00 -0.73 0.00 0.00 40.66 40.65 1wfs h LEU 20 CO 0.06 1.82 -0.07 1.17 -0.62 0.00 0.00 178.44 180.81 1wfs n LYS 21 N -3.57 -0.08 -0.07 1.25 4.81 -0.10 0.63 118.16 121.04 1wfs n LYS 21 Ca -0.31 1.44 -0.11 0.00 -0.87 0.00 0.00 58.31 58.46 1wfs n LYS 21 Cb 1.03 -2.24 -0.05 0.00 0.02 0.00 0.00 35.03 33.79 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 0.36 -0.86 1.64 5.08 -1.73 -2.71 114.58 116.36 1wfs h GLU 22 Ca 0.53 -0.11 0.22 0.00 -1.00 0.00 0.00 59.36 59.00 1wfs h GLU 22 Cb 1.02 -0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.09 1wfs h GLU 22 CO -0.92 0.55 0.13 1.15 -1.00 0.00 0.00 179.01 178.92 1wfs h THR 23 N 0.13 0.27 -0.05 1.13 2.02 0.06 0.53 112.91 117.00 1wfs h THR 23 Ca 0.06 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1wfs h THR 23 Cb 0.38 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1wfs h THR 23 CO 0.01 0.03 -0.01 -0.07 0.37 0.00 0.00 175.52 175.84 1wfs h LEU 24 N 0.14 0.11 -2.11 2.58 3.38 -1.30 0.21 115.31 118.31 1wfs h LEU 24 Ca 0.52 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1wfs h LEU 24 Cb 1.02 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1wfs h LEU 24 CO -0.71 0.46 0.01 -0.09 0.09 0.00 0.00 178.44 178.21 1wfs h ARG 25 N -0.25 0.00 0.15 1.13 2.43 -0.66 -1.98 114.38 115.21 1wfs h ARG 25 Ca 0.01 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.86 1wfs h ARG 25 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1wfs h ARG 25 CO 0.01 0.00 -1.62 0.87 -1.51 0.00 0.00 179.97 177.71 1wfs h LYS 26 N 0.00 0.33 -0.67 0.20 1.57 0.14 -3.24 116.57 114.89 1wfs h LYS 26 Ca 0.01 -0.56 0.01 0.00 -1.87 0.00 0.00 60.65 58.24 1wfs h LYS 26 Cb 0.04 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1wfs h LYS 26 CO -0.00 1.21 0.45 0.35 -0.57 0.00 0.00 179.45 180.89 1wfs h PHE 27 N 0.09 0.84 -0.19 -1.35 3.57 0.08 1.86 116.94 121.85 1wfs h PHE 27 Ca -0.29 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.09 1wfs h PHE 27 Cb 2.06 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 40.51 1wfs h PHE 27 CO 0.08 0.53 -0.49 0.00 -2.23 0.00 0.00 178.31 176.20 1wfs h ARG 28 N 0.91 0.50 -0.70 1.11 3.08 -1.50 -3.26 114.38 114.52 1wfs h ARG 28 Ca 0.25 -0.29 -0.50 0.00 0.07 0.00 0.00 59.98 59.51 1wfs h ARG 28 Cb -0.10 0.02 -0.43 0.00 0.08 0.00 0.00 29.97 29.54 1wfs h ARG 28 CO -0.05 0.88 -0.87 1.19 -1.07 0.00 0.00 179.97 180.05 1wfs n PHE 29 N -3.98 2.51 -1.25 3.04 3.72 -0.75 -5.08 117.46 115.68 1wfs n PHE 29 Ca -0.02 -2.21 -0.30 0.00 -0.05 0.00 0.00 57.45 54.86 1wfs n PHE 29 Cb 0.56 -0.32 0.11 0.00 -0.94 0.00 0.00 39.48 38.90 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 -3.63 1.76 -0.13 -1.08 1.70 0.63 -4.91 118.95 113.28 1wfs s ARG 30 Ca 0.47 0.97 0.01 0.00 -0.47 0.00 0.00 55.73 56.71 1wfs s ARG 30 Cb 0.40 -1.86 0.19 0.00 -0.57 0.00 0.00 34.95 33.11 1wfs s ARG 30 CO 0.03 -1.93 1.29 1.63 -1.08 0.00 0.00 175.30 175.23 1wfs n LYS 31 N -3.69 1.37 -4.26 3.89 5.02 -1.26 -4.86 118.16 114.36 1wfs n LYS 31 Ca 0.08 -0.88 -0.29 0.00 -2.02 0.00 0.00 58.31 55.20 1wfs n LYS 31 Cb 0.54 -1.35 -0.04 0.00 -0.02 0.00 0.00 35.03 34.16 1wfs n LYS 31 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1wfs s GLU 32 N -0.97 2.23 -0.01 1.97 0.41 -1.26 -5.07 118.70 115.99 1wfs s GLU 32 Ca 0.17 -2.14 0.14 0.00 -0.41 0.00 0.00 54.97 52.72 1wfs s GLU 32 Cb 0.14 -1.86 0.23 0.00 -1.78 0.00 0.00 34.13 30.86 1wfs s GLU 32 CO 0.03 -0.44 1.10 0.25 -0.49 0.00 0.00 175.26 175.71 1wfs n THR 33 N -1.49 0.03 -4.49 3.63 -2.24 -1.26 -5.12 114.28 103.34 1wfs n THR 33 Ca -0.08 -0.58 -0.24 0.00 -2.27 0.00 0.00 64.05 60.88 1wfs n THR 33 Cb 0.65 0.77 -0.09 0.00 -2.10 0.00 0.00 70.33 69.57 1wfs n THR 33 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wfs s ASN 34 N -1.56 2.59 0.29 3.42 2.47 -1.26 -5.10 114.94 115.79 1wfs s ASN 34 Ca 0.17 -1.58 -0.29 0.00 0.42 0.00 0.00 52.86 51.59 1wfs s ASN 34 Cb 0.21 0.33 -0.09 0.00 -1.45 0.00 0.00 41.25 40.24 1wfs s ASN 34 CO -0.09 -0.83 1.01 0.20 -3.72 0.00 0.00 177.10 173.67 1wfs s ASN 35 N -3.56 7.36 0.07 -4.21 -0.87 -1.26 -4.92 114.94 107.55 1wfs s ASN 35 Ca 0.28 2.06 -0.25 0.00 -1.57 0.00 0.00 52.86 53.39 1wfs s ASN 35 Cb 0.05 -2.61 0.06 0.00 -0.02 0.00 0.00 41.25 38.73 1wfs s ASN 35 CO 0.15 -0.06 0.59 0.00 -2.57 0.00 0.00 177.10 175.20 1wfs s ALA 36 N -1.29 -1.54 0.10 0.60 0.00 -1.15 -0.10 121.76 118.38 1wfs s ALA 36 Ca 0.46 0.71 0.04 0.00 0.00 0.00 0.00 51.96 53.17 1wfs s ALA 36 Cb -0.27 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 1wfs s ALA 36 CO 0.34 -0.59 -0.11 0.00 0.00 0.00 0.00 175.76 175.40 1wfs s ALA 37 N -2.72 1.17 -0.24 0.00 0.00 0.60 0.25 121.76 120.83 1wfs s ALA 37 Ca -0.04 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 1wfs s ALA 37 Cb -0.01 -0.01 0.08 0.00 0.00 0.00 0.00 23.12 23.18 1wfs s ALA 37 CO -0.04 0.02 0.06 0.42 0.00 0.00 0.00 175.76 176.22 1wfs s ILE 38 N -2.14 0.64 -0.33 0.00 1.01 -0.66 -1.79 121.20 117.92 1wfs s ILE 38 Ca 0.04 -0.87 -0.22 0.00 0.00 0.00 0.00 60.65 59.60 1wfs s ILE 38 Cb -0.05 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.16 1wfs s ILE 38 CO 0.01 -0.39 0.72 -0.63 0.00 0.00 0.00 174.94 174.66 1wfs s ILE 39 N 1.78 4.83 0.18 2.92 1.01 -0.26 -0.94 121.20 130.73 1wfs s ILE 39 Ca 0.03 0.95 0.09 0.00 0.00 0.00 0.00 60.65 61.72 1wfs s ILE 39 Cb -0.17 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1wfs s ILE 39 CO -0.15 -0.27 -0.13 -0.04 0.00 0.00 0.00 174.94 174.34 1wfs s MET 40 N 2.86 1.93 0.37 2.79 -1.94 0.20 -0.54 119.30 124.96 1wfs s MET 40 Ca 0.29 -1.32 0.04 0.00 -1.71 0.00 0.00 55.69 52.99 1wfs s MET 40 Cb -0.14 -2.09 -0.03 0.00 2.01 0.00 0.00 34.83 34.58 1wfs s MET 40 CO 0.14 0.43 0.15 -1.59 -0.01 0.00 0.00 175.02 174.14 1wfs s LYS 41 N -2.76 1.80 -0.19 2.03 -2.85 -0.64 -0.41 119.74 116.72 1wfs s LYS 41 Ca 0.24 -2.07 0.01 0.00 -1.00 0.00 0.00 55.97 53.15 1wfs s LYS 41 Cb -0.09 -0.38 0.03 0.00 -2.06 0.00 0.00 37.83 35.33 1wfs s LYS 41 CO 0.14 -0.48 -0.19 0.54 0.10 0.00 0.00 175.35 175.47 1wfs s VAL 42 N -3.35 2.06 -0.32 1.79 0.11 -1.26 0.01 120.40 119.44 1wfs s VAL 42 Ca 0.30 -1.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.04 1wfs s VAL 42 Cb 0.04 -1.90 0.01 0.00 -1.53 0.00 0.00 36.38 32.99 1wfs s VAL 42 CO 0.17 0.46 1.16 -1.81 -3.33 0.00 0.00 175.10 171.76 1wfs s ASP 43 N 1.27 6.82 0.19 3.54 1.11 -0.48 -4.88 116.67 124.23 1wfs s ASP 43 Ca 0.03 1.07 0.19 0.00 0.18 0.00 0.00 52.55 54.02 1wfs s ASP 43 Cb -0.14 -2.54 0.85 0.00 1.07 0.00 0.00 42.92 42.16 1wfs s ASP 43 CO -0.12 -0.98 1.59 1.17 1.18 0.00 0.00 175.17 178.01 1wfs n LYS 44 N 7.10 0.12 0.06 8.23 4.81 -1.26 0.15 118.16 137.37 1wfs n LYS 44 Ca 0.13 0.43 -0.05 0.00 -0.87 0.00 0.00 58.31 57.96 1wfs n LYS 44 Cb 0.47 -1.77 -0.09 0.00 0.02 0.00 0.00 35.03 33.66 1wfs n LYS 44 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1wfs h ASP 45 N 0.00 0.00 0.00 3.14 1.82 -1.97 -3.34 116.42 116.07 1wfs h ASP 45 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1wfs h ASP 45 Cb 0.24 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.25 1wfs h ASP 45 CO 0.00 0.85 0.00 0.54 -1.61 0.00 0.00 179.24 179.02 1wfs n ARG 46 N -3.22 0.48 -4.25 0.28 1.74 -0.78 -5.01 116.66 105.89 1wfs n ARG 46 Ca -0.04 -0.84 -0.31 0.00 -0.77 0.00 0.00 57.85 55.89 1wfs n ARG 46 Cb 0.91 -0.98 -0.08 0.00 -1.02 0.00 0.00 32.46 31.29 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 -0.18 -1.21 -3.83 5.56 1.13 0.40 -4.91 117.38 114.33 1wfs n GLN 47 Ca 0.00 0.13 -0.12 0.00 -1.94 0.00 0.00 57.00 55.07 1wfs n GLN 47 Cb 0.11 -3.64 -0.10 0.00 0.11 0.00 0.00 30.24 26.72 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 -7.27 0.51 -0.39 -1.09 0.23 -1.16 -3.03 119.30 107.09 1wfs s MET 48 Ca 0.04 -0.27 -0.27 0.00 -1.03 0.00 0.00 55.69 54.16 1wfs s MET 48 Cb -0.02 0.22 0.02 0.00 -1.53 0.00 0.00 34.83 33.52 1wfs s MET 48 CO 0.98 -0.13 0.99 0.08 -2.03 0.00 0.00 175.02 174.92 1wfs s VAL 49 N -1.21 4.48 0.00 5.16 1.01 -0.15 -1.39 120.40 128.30 1wfs s VAL 49 Ca -0.13 1.23 0.08 0.00 0.00 0.00 0.00 61.98 63.16 1wfs s VAL 49 Cb -0.06 -4.41 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 1wfs s VAL 49 CO 0.02 -0.66 -0.24 0.68 0.00 0.00 0.00 175.10 174.90 1wfs s VAL 50 N 3.73 1.89 0.49 2.92 -7.23 0.10 -2.24 120.40 120.07 1wfs s VAL 50 Ca 0.41 -1.10 -0.21 0.00 -1.81 0.00 0.00 61.98 59.28 1wfs s VAL 50 Cb -0.11 -1.58 -0.10 0.00 0.56 0.00 0.00 36.38 35.15 1wfs s VAL 50 CO 0.22 0.46 0.66 -0.11 -0.31 0.00 0.00 175.10 176.02 1wfs n LEU 51 N 2.30 1.10 0.01 1.32 7.94 -1.26 -1.63 117.00 126.78 1wfs n LEU 51 Ca -0.16 0.86 0.00 0.00 -1.11 0.00 0.00 56.01 55.60 1wfs n LEU 51 Cb 0.52 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 43.26 1wfs n LEU 51 CO 0.23 -2.60 -0.42 1.21 -1.11 0.00 0.00 177.39 174.71 1wfs n GLU 52 N 0.12 0.00 -3.93 1.96 2.13 -0.22 -4.68 120.64 116.02 1wfs n GLU 52 Ca 0.11 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.84 1wfs n GLU 52 Cb 0.43 -0.50 -0.06 0.00 0.27 0.00 0.00 31.44 31.58 1wfs n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1wfs s ASP 53 N -5.16 -0.05 -0.21 4.31 1.01 0.30 -5.02 116.67 111.85 1wfs s ASP 53 Ca 0.00 -0.82 -0.06 0.00 0.71 0.00 0.00 52.55 52.39 1wfs s ASP 53 Cb 0.00 0.50 0.10 0.00 1.01 0.00 0.00 42.92 44.53 1wfs s ASP 53 CO 0.00 -0.98 0.40 -1.61 0.21 0.00 0.00 175.17 173.19 1wfs s GLU 54 N -3.96 0.32 -0.11 8.23 2.02 -1.26 -1.10 118.70 122.83 1wfs s GLU 54 Ca 0.17 0.88 0.02 0.00 0.02 0.00 0.00 54.97 56.06 1wfs s GLU 54 Cb 0.02 0.09 -0.01 0.00 0.10 0.00 0.00 34.13 34.32 1wfs s GLU 54 CO 0.02 -0.36 -0.18 -0.51 0.02 0.00 0.00 175.26 174.25 1wfs s LEU 55 N 2.58 2.46 0.26 1.80 1.43 -0.74 -5.01 118.68 121.47 1wfs s LEU 55 Ca 0.03 -0.41 0.10 0.00 -1.03 0.00 0.00 54.13 52.81 1wfs s LEU 55 Cb -0.13 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1wfs s LEU 55 CO -0.13 0.18 -0.03 -1.10 0.23 0.00 0.00 176.35 175.50 1wfs s GLN 56 N 0.24 2.23 -1.33 1.70 1.11 -1.26 -0.29 119.66 122.06 1wfs s GLN 56 Ca -0.12 -1.43 -0.05 0.00 0.01 0.00 0.00 55.36 53.77 1wfs s GLN 56 Cb -0.16 -2.13 0.02 0.00 -1.01 0.00 0.00 33.01 29.72 1wfs s GLN 56 CO 0.06 0.37 1.01 0.09 0.01 0.00 0.00 175.29 176.83 1wfs n ASN 57 N -0.81 -3.77 -4.22 5.90 5.03 0.86 -4.96 115.26 113.29 1wfs n ASN 57 Ca -0.07 -0.66 -0.25 0.00 0.87 0.00 0.00 54.58 54.47 1wfs n ASN 57 Cb 0.59 -4.70 -0.15 0.00 -1.02 0.00 0.00 39.78 34.50 1wfs n ASN 57 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1wfs s ILE 58 N -3.39 1.56 0.69 2.41 -1.16 -1.24 -5.04 121.20 115.02 1wfs s ILE 58 Ca 0.30 -1.02 -0.06 0.00 -0.51 0.00 0.00 60.65 59.36 1wfs s ILE 58 Cb -0.14 -1.34 0.06 0.00 0.61 0.00 0.00 42.46 41.65 1wfs s ILE 58 CO 0.76 0.28 0.99 -0.44 -2.81 0.00 0.00 174.94 173.73 1wfs s SER 59 N -0.87 4.88 0.00 4.50 0.01 -1.26 -4.58 113.70 116.39 1wfs s SER 59 Ca 0.07 0.42 0.10 0.00 1.31 0.00 0.00 55.95 57.85 1wfs s SER 59 Cb -0.08 -1.11 0.57 0.00 0.21 0.00 0.00 66.02 65.62 1wfs s SER 59 CO 0.01 -1.54 1.02 -0.81 0.41 0.00 0.00 173.24 172.32 1wfs n PRO 60 N -2.86 0.49 -0.00 12.44 -0.04 -1.26 -1.94 135.00 141.82 1wfs n PRO 60 Ca 0.08 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.60 1wfs n PRO 60 Cb 0.60 -1.31 -0.09 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.81 0.77 0.03 0.54 1.02 -1.26 -3.91 120.64 117.02 1wfs n GLU 61 Ca 0.07 -0.10 -0.20 0.00 -0.02 0.00 0.00 57.16 56.91 1wfs n GLU 61 Cb 0.03 -1.26 -0.14 0.00 -0.02 0.00 0.00 31.44 30.05 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 0.27 0.56 3.49 4.22 -1.75 -3.39 114.58 117.99 1wfs h GLU 62 Ca 0.00 -0.47 -0.02 0.00 0.08 0.00 0.00 59.36 58.95 1wfs h GLU 62 Cb 0.53 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1wfs h GLU 62 CO 0.00 1.16 -0.40 1.25 -2.18 0.00 0.00 179.01 178.85 1wfs h LEU 63 N 0.07 -1.03 -0.98 1.64 6.46 -1.78 -2.26 115.31 117.44 1wfs h LEU 63 Ca -0.37 0.07 0.39 0.00 -0.12 0.00 0.00 57.88 57.85 1wfs h LEU 63 Cb 2.05 0.32 -0.15 0.00 -0.73 0.00 0.00 40.66 42.15 1wfs h LEU 63 CO 0.12 -0.59 0.56 1.17 -0.62 0.00 0.00 178.44 179.08 1wfs n LYS 64 N -5.52 -0.05 -0.13 1.25 4.81 -1.26 0.22 118.16 117.49 1wfs n LYS 64 Ca -0.12 1.19 -0.12 0.00 -0.87 0.00 0.00 58.31 58.39 1wfs n LYS 64 Cb 0.41 -2.20 -0.02 0.00 0.02 0.00 0.00 35.03 33.24 1wfs n LYS 64 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1wfs h LEU 65 N 0.00 0.80 -2.30 3.14 -0.00 -1.59 -2.78 115.31 112.58 1wfs h LEU 65 Ca 0.76 -0.39 -0.01 0.00 -0.00 0.00 0.00 57.88 58.24 1wfs h LEU 65 Cb 2.14 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 42.58 1wfs h LEU 65 CO -0.61 1.01 -0.03 -0.33 -0.00 0.00 0.00 178.44 178.49 1wfs h GLU 66 N 0.58 0.00 -7.04 1.13 4.39 0.30 -3.42 114.58 110.51 1wfs h GLU 66 Ca 0.09 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.31 1wfs h GLU 66 Cb 0.69 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.37 1wfs h GLU 66 CO 0.05 0.03 0.39 -0.51 -1.16 0.00 0.00 179.01 177.81 1wfs s LEU 67 N -7.82 3.93 0.00 1.33 1.43 -0.75 -5.06 118.68 111.73 1wfs s LEU 67 Ca -0.05 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 1wfs s LEU 67 Cb 0.15 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 41.92 1wfs s LEU 67 CO 0.57 -0.71 0.00 -0.81 0.23 0.00 0.00 176.35 175.64 1wfs n PRO 68 N -0.71 0.15 0.00 1.29 -0.04 -1.26 -5.00 135.00 129.43 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 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1wfs n PRO 68 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wfs n GLU 69 N -0.64 3.69 -1.82 0.54 0.00 -1.26 -4.81 120.64 116.34 1wfs n GLU 69 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.18 1wfs n GLU 69 Cb 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 31.44 30.51 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 -1.92 0.65 -3.79 3.44 5.12 -1.26 -4.58 116.66 114.31 1wfs n ARG 70 Ca 0.00 -2.54 -0.29 0.00 -1.93 0.00 0.00 57.85 53.09 1wfs n ARG 70 Cb 0.47 -0.59 -0.16 0.00 -1.16 0.00 0.00 32.46 31.02 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 -1.31 0.94 -0.01 5.56 -0.21 -1.26 -4.35 119.66 119.02 1wfs s GLN 71 Ca 0.33 -0.75 -0.30 0.00 0.02 0.00 0.00 55.36 54.66 1wfs s GLN 71 Cb 0.37 -2.23 -0.05 0.00 1.00 0.00 0.00 33.01 32.10 1wfs s GLN 71 CO -0.12 -0.72 1.46 -1.25 -2.12 0.00 0.00 175.29 172.54 1wfs s PRO 72 N 1.66 4.25 0.27 2.91 0.04 -1.26 -4.65 135.00 138.24 1wfs s PRO 72 Ca 0.00 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.00 1wfs s PRO 72 Cb -0.18 -3.65 -0.01 0.00 0.04 0.00 0.00 34.50 30.70 1wfs s PRO 72 CO -0.12 -0.65 0.40 -0.98 0.04 0.00 0.00 177.00 175.70 1wfs s ARG 73 N 2.76 1.61 0.04 4.56 1.70 -0.86 -4.92 118.95 123.84 1wfs s ARG 73 Ca 0.66 -1.53 0.02 0.00 -0.47 0.00 0.00 55.73 54.40 1wfs s ARG 73 Cb -0.32 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.44 1wfs s ARG 73 CO 0.27 -0.64 0.05 -0.06 -1.08 0.00 0.00 175.30 173.83 1wfs s PHE 74 N -3.69 3.16 -0.17 5.89 0.08 0.45 -2.01 117.98 121.69 1wfs s PHE 74 Ca 0.29 0.09 -0.08 0.00 0.12 0.00 0.00 56.93 57.35 1wfs s PHE 74 Cb 0.01 -1.65 0.07 0.00 -0.57 0.00 0.00 43.02 40.89 1wfs s PHE 74 CO 0.14 0.51 0.40 0.08 -0.10 0.00 0.00 175.22 176.25 1wfs s VAL 75 N -1.27 -0.24 -0.52 -0.44 1.01 -0.53 0.58 120.40 118.98 1wfs s VAL 75 Ca 0.25 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.29 1wfs s VAL 75 Cb -0.12 -0.61 0.14 0.00 0.00 0.00 0.00 36.38 35.79 1wfs s VAL 75 CO 0.17 0.05 0.37 -0.69 0.00 0.00 0.00 175.10 175.01 1wfs s VAL 76 N 1.84 4.02 -0.01 2.92 1.01 -0.11 0.23 120.40 130.30 1wfs s VAL 76 Ca -0.06 -2.16 -0.19 0.00 0.00 0.00 0.00 61.98 59.56 1wfs s VAL 76 Cb -0.10 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1wfs s VAL 76 CO -0.12 -0.80 0.54 -0.47 0.00 0.00 0.00 175.10 174.24 1wfs s TYR 77 N 0.90 3.68 -0.42 5.22 5.04 -1.12 -1.66 117.35 128.99 1wfs s TYR 77 Ca 0.10 1.12 -0.01 0.00 -2.44 0.00 0.00 57.07 55.84 1wfs s TYR 77 Cb -0.23 -2.52 0.11 0.00 0.35 0.00 0.00 41.96 39.67 1wfs s TYR 77 CO -0.03 0.41 0.20 0.45 -1.34 0.00 0.00 175.55 175.24 1wfs s SER 78 N -0.37 5.08 0.57 4.32 0.15 0.14 -2.04 113.70 121.55 1wfs s SER 78 Ca 0.28 -2.22 -0.06 0.00 0.70 0.00 0.00 55.95 54.66 1wfs s SER 78 Cb -0.18 -1.77 -0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1wfs s SER 78 CO 0.16 -0.47 0.88 -0.47 1.20 0.00 0.00 173.24 174.54 1wfs s TYR 79 N 0.85 3.33 -0.26 3.44 6.14 -1.25 -2.95 117.35 126.65 1wfs s TYR 79 Ca 0.10 0.70 -0.01 0.00 0.64 0.00 0.00 57.07 58.50 1wfs s TYR 79 Cb -0.22 -2.64 0.04 0.00 0.42 0.00 0.00 41.96 39.56 1wfs s TYR 79 CO -0.05 -0.70 -0.05 0.21 0.64 0.00 0.00 175.55 175.60 1wfs s LYS 80 N -4.94 2.65 -0.13 4.97 2.20 -1.26 -2.56 119.74 120.67 1wfs s LYS 80 Ca 0.53 -1.10 -0.03 0.00 -0.36 0.00 0.00 55.97 55.01 1wfs s LYS 80 Cb -0.10 -3.02 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 1wfs s LYS 80 CO 0.45 -0.48 -0.03 -0.47 -0.36 0.00 0.00 175.35 174.47 1wfs s TYR 81 N 1.28 3.05 -0.00 4.03 6.14 0.10 -4.98 117.35 126.97 1wfs s TYR 81 Ca -0.02 -0.13 -0.04 0.00 0.64 0.00 0.00 57.07 57.51 1wfs s TYR 81 Cb -0.18 -1.90 -0.04 0.00 0.42 0.00 0.00 41.96 40.26 1wfs s TYR 81 CO -0.04 0.12 0.21 0.08 0.64 0.00 0.00 175.55 176.57 1wfs s VAL 82 N -0.04 5.39 0.00 3.14 1.01 -1.26 -0.97 120.40 127.67 1wfs s VAL 82 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1wfs s VAL 82 Cb -0.13 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1wfs s VAL 82 CO 0.02 0.33 0.00 1.41 0.00 0.00 0.00 175.10 176.87 1wfs n HIS 83 N 0.98 0.00 0.00 5.22 8.25 0.15 -4.98 115.22 124.84 1wfs n HIS 83 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 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 -0.25 0.64 0.00 0.00 176.34 176.73 1wfs n ASP 84 N 0.00 0.00 0.02 0.41 8.00 -1.26 -4.94 116.55 118.78 1wfs n ASP 84 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1wfs n ASP 84 Cb 0.00 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 41.59 1wfs n ASP 84 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1wfs n ASP 85 N 0.00 0.13 0.00 -2.24 -0.08 -1.26 -4.82 116.55 108.29 1wfs n ASP 85 Ca 0.00 0.52 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 1wfs n ASP 85 Cb 0.00 -0.55 0.00 0.00 2.34 0.00 0.00 41.12 42.91 1wfs n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wfs n GLY 86 N 0.92 1.17 3.50 0.27 0.00 -1.26 -5.13 105.19 104.65 1wfs n GLY 86 Ca 0.05 0.00 -0.34 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 3.48 -0.09 1.61 1.81 -1.26 -5.01 118.95 119.49 1wfs s ARG 87 Ca 0.00 -0.55 -0.01 0.00 -1.72 0.00 0.00 55.73 53.45 1wfs s ARG 87 Cb 0.00 -2.82 0.03 0.00 -0.45 0.00 0.00 34.95 31.71 1wfs s ARG 87 CO 0.00 0.31 -0.04 0.54 -0.68 0.00 0.00 175.30 175.44 1wfs s VAL 88 N 0.16 0.69 0.29 3.52 0.11 -1.26 0.31 120.40 124.22 1wfs s VAL 88 Ca -0.03 -0.08 0.10 0.00 -2.93 0.00 0.00 61.98 59.04 1wfs s VAL 88 Cb -0.14 -0.79 -0.05 0.00 -1.53 0.00 0.00 36.38 33.88 1wfs s VAL 88 CO 0.03 0.31 -0.01 -0.44 -3.33 0.00 0.00 175.10 171.66 1wfs s SER 89 N 1.84 4.35 -0.53 3.54 0.01 -0.14 -4.94 113.70 117.84 1wfs s SER 89 Ca 0.05 -0.79 -0.04 0.00 1.31 0.00 0.00 55.95 56.48 1wfs s SER 89 Cb -0.12 -0.69 0.14 0.00 0.21 0.00 0.00 66.02 65.56 1wfs s SER 89 CO -0.07 -0.09 0.34 -0.31 0.41 0.00 0.00 173.24 173.53 1wfs s TYR 90 N -2.41 3.49 -0.69 2.43 2.02 -1.26 0.02 117.35 120.96 1wfs s TYR 90 Ca 0.33 -2.50 -0.26 0.00 -0.37 0.00 0.00 57.07 54.26 1wfs s TYR 90 Cb -0.04 -3.25 -0.03 0.00 -0.40 0.00 0.00 41.96 38.24 1wfs s TYR 90 CO 0.19 -0.91 1.88 -1.25 -1.57 0.00 0.00 175.55 173.90 1wfs s PRO 91 N 0.56 2.61 -0.04 -1.71 0.04 -1.06 -4.80 135.00 130.60 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 -0.22 -4.57 -0.04 0.00 0.04 0.00 0.00 34.50 29.71 1wfs s PRO 91 CO -0.04 -2.90 1.35 -0.51 0.04 0.00 0.00 177.00 174.94 1wfs s LEU 92 N 9.34 4.29 0.32 -3.56 1.02 -1.26 -3.88 118.68 124.95 1wfs s LEU 92 Ca 0.68 2.00 0.10 0.00 0.02 0.00 0.00 54.13 56.93 1wfs s LEU 92 Cb -0.11 -3.56 -0.06 0.00 0.02 0.00 0.00 46.19 42.48 1wfs s LEU 92 CO 0.15 -0.71 -0.12 0.00 0.02 0.00 0.00 176.35 175.70 1wfs s PHE 94 N -2.62 3.35 -0.32 0.00 5.36 -0.83 -2.77 117.98 120.14 1wfs s PHE 94 Ca 0.32 -1.64 -0.18 0.00 -0.96 0.00 0.00 56.93 54.47 1wfs s PHE 94 Cb 0.01 -2.84 -0.01 0.00 -0.34 0.00 0.00 43.02 39.84 1wfs s PHE 94 CO 0.16 -0.84 0.50 0.42 -1.46 0.00 0.00 175.22 174.00 1wfs s ILE 95 N 1.38 5.04 -0.46 3.12 1.01 0.14 -0.15 121.20 131.27 1wfs s ILE 95 Ca 0.03 0.48 -0.17 0.00 0.00 0.00 0.00 60.65 60.99 1wfs s ILE 95 Cb -0.22 -3.91 0.05 0.00 0.01 0.00 0.00 42.46 38.38 1wfs s ILE 95 CO 0.01 -0.12 0.45 0.12 0.00 0.00 0.00 174.94 175.41 1wfs s PHE 96 N 2.35 3.17 -0.95 3.97 5.36 -0.61 -1.46 117.98 129.83 1wfs s PHE 96 Ca 0.19 -0.63 -0.24 0.00 -0.96 0.00 0.00 56.93 55.29 1wfs s PHE 96 Cb -0.15 -3.11 0.04 0.00 -0.34 0.00 0.00 43.02 39.45 1wfs s PHE 96 CO 0.12 -0.80 1.48 0.45 -1.46 0.00 0.00 175.22 175.00 1wfs s SER 97 N 2.29 6.28 -0.37 6.13 0.15 -0.85 -1.95 113.70 125.38 1wfs s SER 97 Ca 0.09 -1.15 0.01 0.00 0.70 0.00 0.00 55.95 55.60 1wfs s SER 97 Cb -0.20 -2.57 0.11 0.00 -1.71 0.00 0.00 66.02 61.65 1wfs s SER 97 CO 0.10 -1.71 0.14 -0.55 1.20 0.00 0.00 173.24 172.43 1wfs s SER 98 N 5.12 4.05 0.72 5.45 0.15 -1.13 -2.03 113.70 126.03 1wfs s SER 98 Ca 0.47 -2.11 0.00 0.00 0.70 0.00 0.00 55.95 55.01 1wfs s SER 98 Cb -0.02 -1.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.20 1wfs s SER 98 CO -0.04 -0.35 0.00 -0.81 1.20 0.00 0.00 173.24 173.24 1wfs n PRO 99 N 4.25 -0.46 -0.02 5.44 -0.04 -1.26 -4.22 135.00 138.70 1wfs n PRO 99 Ca 0.03 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.51 1wfs n PRO 99 Cb 0.39 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.77 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 -1.96 0.20 0.51 0.52 3.14 -1.25 -4.50 118.33 114.99 1wfs n VAL 100 Ca 0.00 -0.30 0.13 0.00 -2.96 0.00 0.00 64.34 61.21 1wfs n VAL 100 Cb 0.00 -0.04 0.30 0.00 -1.06 0.00 0.00 33.84 33.04 1wfs n VAL 100 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1wfs h GLY 101 N 1.96 0.00 -1.03 7.55 0.00 -1.94 -3.46 103.07 106.15 1wfs h GLY 101 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.94 1wfs h GLY 101 CO 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 176.31 1wfs s LYS 103 N -4.27 2.95 0.52 0.00 1.02 -1.26 -5.01 119.74 113.69 1wfs s LYS 103 Ca 0.54 -0.64 0.31 0.00 0.02 0.00 0.00 55.97 56.19 1wfs s LYS 103 Cb -0.11 -2.77 1.30 0.00 -0.52 0.00 0.00 37.83 35.74 1wfs s LYS 103 CO 0.48 0.58 1.97 -1.00 -0.92 0.00 0.00 175.35 176.45 1wfs h PRO 104 N 3.38 0.00 -0.46 -1.68 0.13 -1.98 -1.48 132.00 129.91 1wfs h PRO 104 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 1wfs h PRO 104 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1wfs h PRO 104 CO 0.66 0.07 -0.22 1.49 -0.23 0.00 0.00 178.00 179.77 1wfs h GLU 105 N 0.00 0.93 0.00 0.86 4.22 -2.01 -3.03 114.58 115.56 1wfs h GLU 105 Ca -0.00 -0.40 -0.03 0.00 0.08 0.00 0.00 59.36 59.01 1wfs h GLU 105 Cb 0.54 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1wfs h GLU 105 CO 0.01 1.06 -0.54 1.96 -2.18 0.00 0.00 179.01 179.32 1wfs h GLN 106 N 0.81 0.00 -0.83 1.92 1.08 -1.95 -3.35 115.11 112.79 1wfs h GLN 106 Ca 0.10 0.00 0.34 0.00 -1.45 0.00 0.00 58.65 57.65 1wfs h GLN 106 Cb 0.79 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.07 1wfs h GLN 106 CO 0.07 0.15 0.43 0.94 -0.95 0.00 0.00 178.83 179.47 1wfs n GLN 107 N -4.61 -0.05 -0.17 1.46 0.00 -0.57 0.23 117.38 113.67 1wfs n GLN 107 Ca -0.10 1.14 -0.08 0.00 -0.00 0.00 0.00 57.00 57.96 1wfs n GLN 107 Cb 0.29 -2.05 0.01 0.00 0.00 0.00 0.00 30.24 28.49 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 0.72 -0.74 3.69 2.86 -1.70 0.46 114.93 120.22 1wfs h MET 108 Ca 0.70 -0.13 0.17 0.00 -2.06 0.00 0.00 59.70 58.38 1wfs h MET 108 Cb 1.84 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 33.33 1wfs h MET 108 CO -0.64 0.64 0.50 0.52 1.06 0.00 0.00 176.91 179.00 1wfs h MET 109 N 0.64 0.28 0.03 1.72 2.86 0.28 0.30 114.93 121.04 1wfs h MET 109 Ca 0.16 -0.02 -0.33 0.00 -2.06 0.00 0.00 59.70 57.46 1wfs h MET 109 Cb 0.19 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 1wfs h MET 109 CO -0.01 0.18 -1.92 0.66 1.06 0.00 0.00 176.91 176.88 1wfs n TYR 110 N -4.44 0.87 0.27 -0.22 4.02 -0.93 -3.19 117.16 113.54 1wfs n TYR 110 Ca 0.14 0.27 0.17 0.00 -0.01 0.00 0.00 57.90 58.47 1wfs n TYR 110 Cb 0.61 -1.14 0.65 0.00 -0.02 0.00 0.00 39.34 39.44 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 0.71 1.00 0.00 -0.72 0.00 0.10 0.69 119.26 121.04 1wfs h ALA 111 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1wfs h ALA 111 Cb 2.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1wfs h ALA 111 CO 0.06 0.00 -1.28 0.41 0.00 0.00 0.00 179.25 178.45 1wfs n GLY 112 N 0.10 -0.92 0.00 0.00 0.00 0.95 -4.36 105.19 100.97 1wfs n GLY 112 Ca 0.01 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.72 0.63 -0.10 1.61 7.64 -1.09 -4.48 113.62 116.11 1wfs n SER 113 Ca 0.01 -0.57 -0.08 0.00 1.01 0.00 0.00 58.87 59.24 1wfs n SER 113 Cb 0.39 1.03 -0.02 0.00 -1.01 0.00 0.00 64.21 64.60 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 -0.26 -0.78 1.43 3.64 0.20 0.03 116.57 120.83 1wfs h LYS 114 Ca 0.00 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1wfs h LYS 114 Cb 0.16 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1wfs h LYS 114 CO 0.00 -0.17 0.44 -0.91 -2.27 0.00 0.00 179.45 176.54 1wfs h ASN 115 N -0.27 0.96 -0.02 4.20 2.35 -1.84 -0.56 115.58 120.40 1wfs h ASN 115 Ca 0.16 -0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1wfs h ASN 115 Cb 0.53 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1wfs h ASN 115 CO -0.50 0.76 -0.14 -0.09 -1.65 0.00 0.00 177.43 175.80 1wfs h ARG 116 N 1.08 -0.22 0.47 0.81 9.65 -1.33 0.21 114.38 125.05 1wfs h ARG 116 Ca 0.28 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.15 1wfs h ARG 116 Cb 0.00 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1wfs h ARG 116 CO -0.05 -0.15 -0.23 1.25 2.80 0.00 0.00 179.97 183.60 1wfs h LEU 117 N -0.23 -0.53 -0.57 3.80 5.85 -0.94 -2.84 115.31 119.85 1wfs h LEU 117 Ca 0.05 -0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.81 1wfs h LEU 117 Cb 0.30 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.36 1wfs h LEU 117 CO -0.15 -0.15 -0.20 0.58 -0.34 0.00 0.00 178.44 178.17 1wfs h VAL 118 N -1.00 0.33 -1.00 1.05 2.07 -1.07 0.18 116.25 116.80 1wfs h VAL 118 Ca -0.06 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.62 1wfs h VAL 118 Cb 0.58 0.33 -0.10 0.00 -1.52 0.00 0.00 31.29 30.59 1wfs h VAL 118 CO 0.11 0.00 0.62 1.56 0.02 0.00 0.00 177.57 179.88 1wfs h GLN 119 N -0.07 0.84 -0.55 1.57 4.20 -0.62 -0.29 115.11 120.18 1wfs h GLN 119 Ca 0.27 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1wfs h GLN 119 Cb 0.48 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1wfs h GLN 119 CO -0.62 0.55 0.29 1.15 -0.67 0.00 0.00 178.83 179.53 1wfs h THR 120 N 0.86 1.19 0.00 -0.54 2.02 -0.42 -1.94 112.91 114.08 1wfs h THR 120 Ca 0.54 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1wfs h THR 120 Cb 0.72 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1wfs h THR 120 CO -0.33 0.21 0.00 0.00 0.37 0.00 0.00 175.52 175.77 1wfs h ALA 121 N 1.12 1.00 -1.86 6.16 0.00 -0.48 -3.46 119.26 121.74 1wfs h ALA 121 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.77 1wfs h ALA 121 Cb 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1wfs h ALA 121 CO -0.03 0.00 -0.39 -1.91 0.00 0.00 0.00 179.25 176.93 1wfs n GLU 122 N -2.83 -1.26 -0.00 0.00 2.13 -0.27 -4.76 120.64 113.65 1wfs n GLU 122 Ca 0.02 0.88 -0.01 0.00 0.66 0.00 0.00 57.16 58.71 1wfs n GLU 122 Cb 0.32 -5.23 0.26 0.00 0.27 0.00 0.00 31.44 27.07 1wfs n GLU 122 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1wfs h LEU 123 N 0.00 0.51 0.00 4.31 3.38 -1.83 -3.46 115.31 118.21 1wfs h LEU 123 Ca -0.37 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1wfs h LEU 123 Cb 1.22 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1wfs h LEU 123 CO 0.47 0.63 0.00 0.41 0.09 0.00 0.00 178.44 180.04 1wfs n THR 124 N -4.23 0.00 -2.30 0.22 -1.04 -1.26 -4.85 114.28 100.82 1wfs n THR 124 Ca 0.01 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.60 1wfs n THR 124 Cb 0.29 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.78 1wfs n THR 124 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1wfs s LYS 125 N 0.00 4.26 -0.10 -2.82 1.02 -1.26 -5.01 119.74 115.83 1wfs s LYS 125 Ca 0.00 1.84 0.01 0.00 0.02 0.00 0.00 55.97 57.84 1wfs s LYS 125 Cb 0.00 -3.71 0.02 0.00 -0.52 0.00 0.00 37.83 33.62 1wfs s LYS 125 CO 0.00 -0.65 -0.11 0.08 -0.92 0.00 0.00 175.35 173.76 1wfs s VAL 126 N 3.04 1.18 -0.20 3.17 1.01 -1.26 -1.97 120.40 125.38 1wfs s VAL 126 Ca 0.61 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1wfs s VAL 126 Cb -0.27 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.02 1wfs s VAL 126 CO 0.22 0.38 -0.15 -0.36 0.00 0.00 0.00 175.10 175.19 1wfs s PHE 127 N 1.20 2.70 -0.22 5.22 0.08 0.78 -4.94 117.98 122.79 1wfs s PHE 127 Ca -0.04 -1.71 -0.14 0.00 0.12 0.00 0.00 56.93 55.16 1wfs s PHE 127 Cb -0.14 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 1wfs s PHE 127 CO -0.03 -0.79 0.32 -2.00 -0.10 0.00 0.00 175.22 172.62 1wfs s GLU 128 N 1.31 4.12 -0.22 0.44 -6.30 -1.26 -1.57 118.70 115.23 1wfs s GLU 128 Ca 0.01 0.03 -0.10 0.00 -2.50 0.00 0.00 54.97 52.41 1wfs s GLU 128 Cb -0.15 -3.55 -0.05 0.00 0.00 0.00 0.00 34.13 30.38 1wfs s GLU 128 CO -0.10 -0.03 0.13 0.96 0.02 0.00 0.00 175.26 176.24 1wfs s ILE 129 N 1.31 5.31 -0.54 -3.70 -4.36 -0.82 -4.93 121.20 113.46 1wfs s ILE 129 Ca 0.15 0.16 0.24 0.00 -0.26 0.00 0.00 60.65 60.94 1wfs s ILE 129 Cb -0.14 -3.44 0.26 0.00 1.25 0.00 0.00 42.46 40.38 1wfs s ILE 129 CO 0.07 0.40 1.73 -1.14 0.24 0.00 0.00 174.94 176.24 1wfs n ARG 130 N 3.86 0.21 -3.64 0.37 3.00 -1.26 -2.82 116.66 116.38 1wfs n ARG 130 Ca -0.16 0.37 -0.06 0.00 -0.00 0.00 0.00 57.85 58.01 1wfs n ARG 130 Cb 0.52 -1.85 -0.07 0.00 0.00 0.00 0.00 32.46 31.06 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 -3.26 0.00 0.21 5.15 -1.32 -1.26 -3.95 115.64 111.20 1wfs s THR 131 Ca 0.06 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.55 1wfs s THR 131 Cb 0.10 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.38 1wfs s THR 131 CO 0.44 0.00 1.07 0.35 -2.21 0.00 0.00 174.62 174.27 1wfs n THR 132 N 3.00 -0.29 -0.35 5.08 -2.24 -1.26 0.10 114.28 118.32 1wfs n THR 132 Ca -0.16 1.50 0.08 0.00 -2.27 0.00 0.00 64.05 63.20 1wfs n THR 132 Cb 0.57 -2.19 0.17 0.00 -2.10 0.00 0.00 70.33 66.77 1wfs n THR 132 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wfs n ASP 133 N -4.92 -0.31 -0.34 3.42 9.92 -1.26 0.47 116.55 123.53 1wfs n ASP 133 Ca 0.16 1.69 0.16 0.00 -0.53 0.00 0.00 54.79 56.26 1wfs n ASP 133 Cb 0.52 -0.53 0.31 0.00 -0.64 0.00 0.00 41.12 40.78 1wfs n ASP 133 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1wfs h ASP 134 N 0.00 -0.46 -0.18 -2.24 3.32 0.27 -3.33 116.42 113.80 1wfs h ASP 134 Ca 0.50 0.28 -0.10 0.00 0.02 0.00 0.00 57.03 57.72 1wfs h ASP 134 Cb 0.81 0.49 -0.03 0.00 0.22 0.00 0.00 39.33 40.82 1wfs h ASP 134 CO -1.00 -0.37 0.68 -0.11 -1.72 0.00 0.00 179.24 176.72 1wfs n LEU 135 N -5.49 0.46 -3.95 1.55 0.00 0.18 -4.61 117.00 105.14 1wfs n LEU 135 Ca 0.24 -1.36 -0.20 0.00 0.00 0.00 0.00 56.01 54.69 1wfs n LEU 135 Cb 0.79 -1.26 -0.16 0.00 0.00 0.00 0.00 43.42 42.79 1wfs n LEU 135 CO -0.07 -2.36 -0.42 0.42 0.00 0.00 0.00 177.39 174.96 1wfs s THR 136 N 9.70 0.68 0.37 1.96 -4.23 -1.25 -4.44 115.64 118.43 1wfs s THR 136 Ca 0.95 -0.25 0.32 0.00 -1.18 0.00 0.00 61.69 61.53 1wfs s THR 136 Cb -0.32 -0.65 0.47 0.00 1.34 0.00 0.00 72.50 73.35 1wfs s THR 136 CO 0.23 0.24 1.14 1.21 -0.54 0.00 0.00 174.62 176.90 1wfs n GLU 137 N 3.70 -0.01 -0.02 3.99 2.13 -1.26 -0.24 120.64 128.93 1wfs n GLU 137 Ca -0.22 0.85 -0.00 0.00 0.66 0.00 0.00 57.16 58.44 1wfs n GLU 137 Cb 0.52 -1.83 -0.00 0.00 0.27 0.00 0.00 31.44 30.41 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 -1.02 6.31 2.02 -1.94 -1.89 112.91 116.38 1wfs h THR 138 Ca 0.67 -0.59 0.30 0.00 0.77 0.00 0.00 66.41 67.56 1wfs h THR 138 Cb 2.49 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.86 1wfs h THR 138 CO -0.15 0.00 0.99 -0.25 0.37 0.00 0.00 175.52 176.49 1wfs h TRP 139 N -0.61 0.00 0.00 3.16 7.01 -0.87 0.37 115.95 125.02 1wfs h TRP 139 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1wfs h TRP 139 Cb 0.01 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.07 1wfs h TRP 139 CO 0.00 0.00 -0.20 1.25 -2.79 0.00 0.00 178.44 176.70 1wfs h LEU 140 N 0.00 0.00 -1.82 0.65 5.85 -1.17 -3.31 115.31 115.51 1wfs h LEU 140 Ca 0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.21 1wfs h LEU 140 Cb 2.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.50 1wfs h LEU 140 CO -0.01 0.49 0.24 0.11 -0.34 0.00 0.00 178.44 178.94 1wfs h LYS 141 N -0.78 0.00 0.02 1.25 1.57 -0.40 -1.09 116.57 117.13 1wfs h LYS 141 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wfs h LYS 141 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1wfs h LYS 141 CO 0.00 0.00 -0.01 0.93 -0.57 0.00 0.00 179.45 179.80 1wfs h GLU 142 N 0.00 -0.02 -0.63 3.15 5.08 -0.44 0.59 114.58 122.31 1wfs h GLU 142 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1wfs h GLU 142 Cb 0.48 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1wfs h GLU 142 CO 0.00 0.52 0.22 0.87 -1.00 0.00 0.00 179.01 179.62 1wfs h LYS 143 N -0.58 0.94 -0.15 2.33 1.79 -1.29 -2.93 116.57 116.69 1wfs h LYS 143 Ca -0.00 -0.17 -0.14 0.00 -2.18 0.00 0.00 60.65 58.16 1wfs h LYS 143 Cb 0.55 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1wfs h LYS 143 CO 0.00 0.79 -0.45 -0.07 -1.08 0.00 0.00 179.45 178.64 1wfs h LEU 144 N 0.91 0.65 -0.07 2.94 3.38 -1.52 -2.87 115.31 118.73 1wfs h LEU 144 Ca 0.21 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 57.59 1wfs h LEU 144 Cb 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1wfs h LEU 144 CO -0.01 1.14 -0.04 0.00 0.09 0.00 0.00 178.44 179.61 1wfs n ALA 145 N -2.53 -0.05 -1.95 1.53 0.00 0.20 -4.57 120.51 113.14 1wfs n ALA 145 Ca -0.07 0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1wfs n ALA 145 Cb 0.57 0.44 -0.01 0.00 0.00 0.00 0.00 19.45 20.45 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 -3.15 -0.51 0.00 0.00 2.88 -1.22 -5.11 113.62 106.51 1wfs n SER 146 Ca 0.00 -1.08 0.00 0.00 -1.33 0.00 0.00 58.87 56.46 1wfs n SER 146 Cb 0.02 0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 -0.19 2.54 3.58 0.46 0.00 -1.08 -5.06 105.19 105.43 1wfs n GLY 147 Ca -0.12 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.64 -1.50 0.00 1.61 0.04 -1.26 -4.24 135.00 127.00 1wfs s PRO 148 Ca 0.00 -0.17 -0.20 0.00 0.04 0.00 0.00 61.00 60.67 1wfs s PRO 148 Cb 0.00 -1.57 -0.11 0.00 0.04 0.00 0.00 34.50 32.86 1wfs s PRO 148 CO 0.00 -3.88 0.93 1.03 0.04 0.00 0.00 177.00 175.13 1wfs h SER 149 N -2.70 -0.62 -5.44 6.66 0.87 -1.98 -3.48 113.55 106.86 1wfs h SER 149 Ca -0.43 0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 59.97 1wfs h SER 149 Cb 1.29 0.16 -0.10 0.00 -0.44 0.00 0.00 62.40 63.30 1wfs h SER 149 CO 0.30 -0.29 -0.28 -0.94 -0.53 0.00 0.00 176.83 175.09 1wfs s SER 150 N -4.25 0.33 0.00 6.23 1.04 -1.26 -5.25 113.70 110.54 1wfs s SER 150 Ca -0.11 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.08 1wfs s SER 150 Cb 0.01 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1wfs s SER 150 CO 0.32 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 174.05