#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 1.61 -0.12 1.61 0.15 -1.26 -5.12 113.70 110.57 1wfs s SER 2 Ca 0.00 -0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.40 1wfs s SER 2 Cb 0.00 -0.71 0.03 0.00 -1.71 0.00 0.00 66.02 63.63 1wfs s SER 2 CO 0.00 -0.03 -0.05 -0.44 1.20 0.00 0.00 173.24 173.92 1wfs s SER 3 N 0.96 2.19 -1.18 5.45 0.01 -1.26 -5.07 113.70 114.80 1wfs s SER 3 Ca -0.09 -0.34 -0.16 0.00 1.31 0.00 0.00 55.95 56.66 1wfs s SER 3 Cb -0.15 -0.76 0.12 0.00 0.21 0.00 0.00 66.02 65.45 1wfs s SER 3 CO 0.00 -0.15 1.49 -0.83 0.41 0.00 0.00 173.24 174.16 1wfs s GLY 4 N 1.76 2.01 -0.04 3.44 0.00 -1.26 -4.92 107.32 108.31 1wfs s GLY 4 Ca 0.04 -3.05 -0.20 0.00 0.00 0.00 0.00 44.72 41.50 1wfs s GLY 4 CO -0.07 2.31 0.44 -0.45 0.00 0.00 0.00 173.10 175.33 1wfs s SER 5 N 3.55 -0.36 0.21 1.64 0.15 -1.26 -5.18 113.70 112.45 1wfs s SER 5 Ca 0.45 0.35 -0.23 0.00 0.70 0.00 0.00 55.95 57.22 1wfs s SER 5 Cb -0.01 0.43 0.05 0.00 -1.71 0.00 0.00 66.02 64.78 1wfs s SER 5 CO 0.00 -0.48 0.87 -0.55 1.20 0.00 0.00 173.24 174.28 1wfs s SER 6 N -1.19 -0.19 -1.04 5.45 0.15 -1.26 -5.10 113.70 110.53 1wfs s SER 6 Ca -0.12 -0.53 -0.12 0.00 0.70 0.00 0.00 55.95 55.88 1wfs s SER 6 Cb -0.03 0.59 0.24 0.00 -1.71 0.00 0.00 66.02 65.10 1wfs s SER 6 CO 0.06 -1.10 1.08 -0.83 1.20 0.00 0.00 173.24 173.64 1wfs s GLY 7 N -2.97 2.86 0.40 9.45 0.00 -1.26 -5.03 107.32 110.77 1wfs s GLY 7 Ca 0.13 -3.55 -0.11 0.00 0.00 0.00 0.00 44.72 41.18 1wfs s GLY 7 CO 0.05 1.48 0.77 -0.56 0.00 0.00 0.00 173.10 174.83 1wfs s SER 8 N 1.95 6.56 -0.40 1.64 0.01 -1.26 -5.06 113.70 117.13 1wfs s SER 8 Ca 0.29 1.17 0.01 0.00 1.31 0.00 0.00 55.95 58.73 1wfs s SER 8 Cb -0.08 -2.33 0.14 0.00 0.21 0.00 0.00 66.02 63.95 1wfs s SER 8 CO -0.07 -0.38 0.24 -0.62 0.41 0.00 0.00 173.24 172.82 1wfs s ASP 9 N -3.03 3.23 0.45 2.44 -1.08 -1.26 -5.10 116.67 112.32 1wfs s ASP 9 Ca 0.52 -2.48 0.00 0.00 -0.52 0.00 0.00 52.55 50.07 1wfs s ASP 9 Cb -0.10 -0.73 0.00 0.00 -1.46 0.00 0.00 42.92 40.63 1wfs s ASP 9 CO 0.29 -0.28 0.00 -0.24 0.52 0.00 0.00 175.17 175.47 1wfs n SER 10 N 3.69 -6.53 -1.44 -0.34 2.88 -1.26 -5.04 113.62 105.59 1wfs n SER 10 Ca 0.12 1.01 -0.03 0.00 -1.33 0.00 0.00 58.87 58.63 1wfs n SER 10 Cb 0.36 -4.18 -0.01 0.00 -0.75 0.00 0.00 64.21 59.63 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 -3.97 0.00 -2.57 2.46 4.77 -1.26 -5.06 117.00 111.38 1wfs n LEU 11 Ca -0.06 -0.51 -0.35 0.00 -0.03 0.00 0.00 56.01 55.07 1wfs n LEU 11 Cb 0.59 0.25 0.05 0.00 -2.33 0.00 0.00 43.42 41.98 1wfs n LEU 11 CO 0.03 -0.08 1.19 0.55 -1.33 0.00 0.00 177.39 177.75 1wfs n VAL 12 N -0.11 3.34 -1.40 4.08 3.14 -1.26 -5.04 118.33 121.08 1wfs n VAL 12 Ca 0.01 -3.92 -0.54 0.00 -2.96 0.00 0.00 64.34 56.94 1wfs n VAL 12 Cb 0.10 -1.21 -0.06 0.00 -1.06 0.00 0.00 33.84 31.61 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 -0.68 0.45 -4.32 1.55 0.31 -1.26 -4.84 118.33 109.53 1wfs n VAL 13 Ca 0.54 -0.11 -0.24 0.00 -0.01 0.00 0.00 64.34 64.52 1wfs n VAL 13 Cb 0.51 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.36 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 -3.44 1.75 -0.57 0.00 0.41 -0.95 -4.80 118.70 111.11 1wfs s GLU 15 Ca 0.30 -0.45 -0.14 0.00 -0.41 0.00 0.00 54.97 54.26 1wfs s GLU 15 Cb -0.07 -2.13 0.14 0.00 -1.78 0.00 0.00 34.13 30.30 1wfs s GLU 15 CO 0.18 -1.54 0.51 0.54 -0.49 0.00 0.00 175.26 174.46 1wfs s VAL 16 N -3.37 5.03 0.14 2.63 0.11 -1.26 -0.17 120.40 123.50 1wfs s VAL 16 Ca 0.64 -1.73 -0.19 0.00 -2.93 0.00 0.00 61.98 57.77 1wfs s VAL 16 Cb -0.08 -4.22 -0.11 0.00 -1.53 0.00 0.00 36.38 30.43 1wfs s VAL 16 CO 0.46 -0.87 0.34 -0.67 -3.33 0.00 0.00 175.10 171.03 1wfs n ASP 17 N 4.96 -0.87 -0.04 3.54 2.03 -0.76 -4.63 116.55 120.77 1wfs n ASP 17 Ca -0.08 0.76 -0.09 0.00 0.52 0.00 0.00 54.79 55.89 1wfs n ASP 17 Cb 0.41 -0.64 0.06 0.00 -0.72 0.00 0.00 41.12 40.23 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 0.66 0.67 0.00 -0.67 0.13 -1.96 -0.90 132.00 129.92 1wfs h PRO 18 Ca -0.19 -0.35 -0.05 0.00 -0.87 0.00 0.00 66.00 64.53 1wfs h PRO 18 Cb 0.97 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1wfs h PRO 18 CO 0.38 0.96 -0.24 1.05 -0.23 0.00 0.00 178.00 179.92 1wfs h GLU 19 N 0.54 0.00 0.04 0.86 -0.00 -1.95 -3.17 114.58 110.89 1wfs h GLU 19 Ca 0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 59.36 59.21 1wfs h GLU 19 Cb 0.95 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.69 1wfs h GLU 19 CO 0.09 0.24 -1.03 1.25 -0.00 0.00 0.00 179.01 179.56 1wfs h LEU 20 N 0.00 0.12 -0.79 3.06 6.46 -1.84 -3.34 115.31 118.99 1wfs h LEU 20 Ca -0.00 -0.73 0.27 0.00 -0.12 0.00 0.00 57.88 57.30 1wfs h LEU 20 Cb 0.54 -0.04 -0.14 0.00 -0.73 0.00 0.00 40.66 40.29 1wfs h LEU 20 CO 0.03 1.42 0.22 1.17 -0.62 0.00 0.00 178.44 180.67 1wfs n LYS 21 N -4.30 -0.05 -0.11 1.25 4.81 -0.36 0.22 118.16 119.62 1wfs n LYS 21 Ca -0.25 1.13 -0.12 0.00 -0.87 0.00 0.00 58.31 58.20 1wfs n LYS 21 Cb 0.71 -1.91 -0.03 0.00 0.02 0.00 0.00 35.03 33.81 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 0.67 -1.02 1.64 5.08 -1.71 -2.76 114.58 116.47 1wfs h GLU 22 Ca 0.57 -0.29 0.27 0.00 -1.00 0.00 0.00 59.36 58.91 1wfs h GLU 22 Cb 1.38 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.49 1wfs h GLU 22 CO -0.67 0.88 0.62 1.15 -1.00 0.00 0.00 179.01 179.99 1wfs h THR 23 N 0.43 0.48 0.06 1.13 2.02 0.27 0.14 112.91 117.43 1wfs h THR 23 Ca 0.07 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1wfs h THR 23 Cb 0.68 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1wfs h THR 23 CO 0.05 0.09 -0.03 -0.07 0.37 0.00 0.00 175.52 175.93 1wfs h LEU 24 N 0.48 -0.07 -1.77 2.58 3.38 -1.36 -0.50 115.31 118.06 1wfs h LEU 24 Ca 0.66 -0.56 0.25 0.00 0.09 0.00 0.00 57.88 58.32 1wfs h LEU 24 Cb 1.41 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.12 1wfs h LEU 24 CO -0.46 0.59 0.66 -0.09 0.09 0.00 0.00 178.44 179.22 1wfs h ARG 25 N -0.79 0.16 0.18 1.13 2.43 -0.95 -0.11 114.38 116.44 1wfs h ARG 25 Ca -0.01 -0.01 -0.34 0.00 -0.81 0.00 0.00 59.98 58.81 1wfs h ARG 25 Cb 0.63 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1wfs h ARG 25 CO 0.01 0.11 -1.70 0.87 -1.51 0.00 0.00 179.97 177.75 1wfs h LYS 26 N 0.17 0.38 -0.08 0.20 1.57 -1.03 -3.20 116.57 114.58 1wfs h LYS 26 Ca 0.48 -0.66 0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1wfs h LYS 26 Cb 1.59 0.24 -0.00 0.00 0.08 0.00 0.00 32.23 34.15 1wfs h LYS 26 CO -0.10 1.31 0.17 0.35 -0.57 0.00 0.00 179.45 180.62 1wfs h PHE 27 N 0.05 0.00 0.05 -1.35 3.57 0.67 1.11 116.94 121.05 1wfs h PHE 27 Ca -0.34 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 60.86 1wfs h PHE 27 Cb 2.06 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.77 1wfs h PHE 27 CO 0.11 0.00 -1.68 0.00 -2.23 0.00 0.00 178.31 174.51 1wfs h ARG 28 N 0.00 0.11 -0.35 1.11 3.08 -1.39 -3.36 114.38 113.57 1wfs h ARG 28 Ca 0.04 -0.19 -0.23 0.00 0.07 0.00 0.00 59.98 59.68 1wfs h ARG 28 Cb 0.37 0.07 -0.15 0.00 0.08 0.00 0.00 29.97 30.34 1wfs h ARG 28 CO -0.00 0.82 -0.33 1.19 -1.07 0.00 0.00 179.97 180.58 1wfs n PHE 29 N -3.25 1.19 -2.08 3.04 3.72 -0.12 -5.03 117.46 114.92 1wfs n PHE 29 Ca -0.19 -1.78 -0.15 0.00 -0.05 0.00 0.00 57.45 55.28 1wfs n PHE 29 Cb 1.04 -0.43 0.09 0.00 -0.94 0.00 0.00 39.48 39.24 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 -1.03 -0.20 0.18 -1.08 1.85 0.36 -4.95 116.66 111.80 1wfs n ARG 30 Ca 0.32 -1.44 0.14 0.00 -1.00 0.00 0.00 57.85 55.87 1wfs n ARG 30 Cb 0.89 -0.56 0.62 0.00 -1.05 0.00 0.00 32.46 32.36 1wfs n ARG 30 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1wfs h LYS 31 N 0.00 0.00 0.00 2.89 6.56 -1.94 -3.46 116.57 120.62 1wfs h LYS 31 Ca -0.22 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.37 1wfs h LYS 31 Cb 0.71 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 1wfs h LYS 31 CO 0.20 0.00 0.00 0.39 -2.06 0.00 0.00 179.45 177.98 1wfs n GLU 32 N -2.47 0.00 -1.02 3.15 1.02 -1.26 -4.70 120.64 115.36 1wfs n GLU 32 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1wfs n GLU 32 Cb 0.17 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.59 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 -3.61 2.62 -2.24 -1.26 -4.88 114.28 104.91 1wfs n THR 33 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1wfs n THR 33 Cb 0.00 -1.05 -0.09 0.00 -2.10 0.00 0.00 70.33 67.10 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 -2.01 -0.26 -0.22 3.42 4.22 -1.26 -5.10 114.94 113.73 1wfs s ASN 34 Ca 0.00 0.92 -0.38 0.00 -2.14 0.00 0.00 52.86 51.27 1wfs s ASN 34 Cb 0.00 1.38 -0.14 0.00 1.28 0.00 0.00 41.25 43.78 1wfs s ASN 34 CO 0.00 -0.24 1.85 0.59 -2.04 0.00 0.00 177.10 177.26 1wfs n ASN 35 N 5.39 2.74 -4.20 3.54 3.02 -1.26 -4.59 115.26 119.91 1wfs n ASN 35 Ca -0.08 0.96 -0.12 0.00 -0.03 0.00 0.00 54.58 55.32 1wfs n ASN 35 Cb 0.49 -1.23 -0.10 0.00 -0.61 0.00 0.00 39.78 38.33 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 4.19 1.12 -0.02 5.41 0.00 -1.22 -0.71 121.76 130.53 1wfs s ALA 36 Ca 0.98 -1.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 1wfs s ALA 36 Cb -0.92 0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1wfs s ALA 36 CO 0.59 -0.32 0.05 0.00 0.00 0.00 0.00 175.76 176.09 1wfs s ALA 37 N -3.72 -0.12 -0.26 0.00 0.00 0.06 -0.92 121.76 116.80 1wfs s ALA 37 Ca 0.19 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1wfs s ALA 37 Cb 0.06 -0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.14 1wfs s ALA 37 CO 0.00 -0.03 -0.08 0.42 0.00 0.00 0.00 175.76 176.06 1wfs s ILE 38 N 0.13 2.04 -0.30 0.00 1.01 -0.91 -1.14 121.20 122.02 1wfs s ILE 38 Ca -0.01 -1.61 -0.19 0.00 0.00 0.00 0.00 60.65 58.84 1wfs s ILE 38 Cb -0.01 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 1wfs s ILE 38 CO -0.00 -0.09 0.58 -0.63 0.00 0.00 0.00 174.94 174.79 1wfs s ILE 39 N 1.15 4.99 0.11 2.92 1.01 -0.59 -1.43 121.20 129.35 1wfs s ILE 39 Ca -0.07 0.78 0.07 0.00 0.00 0.00 0.00 60.65 61.43 1wfs s ILE 39 Cb -0.20 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1wfs s ILE 39 CO -0.06 -0.09 -0.10 -0.04 0.00 0.00 0.00 174.94 174.65 1wfs s MET 40 N 2.49 2.11 0.43 2.79 -1.94 -0.07 -0.05 119.30 125.06 1wfs s MET 40 Ca 0.23 -1.04 0.03 0.00 -1.71 0.00 0.00 55.69 53.20 1wfs s MET 40 Cb -0.15 -2.29 -0.02 0.00 2.01 0.00 0.00 34.83 34.37 1wfs s MET 40 CO 0.11 0.50 0.10 -1.59 -0.01 0.00 0.00 175.02 174.14 1wfs s LYS 41 N -2.23 1.97 -0.13 2.03 -2.85 0.94 -1.31 119.74 118.17 1wfs s LYS 41 Ca 0.21 -2.21 -0.00 0.00 -1.00 0.00 0.00 55.97 52.97 1wfs s LYS 41 Cb -0.11 -0.82 0.03 0.00 -2.06 0.00 0.00 37.83 34.87 1wfs s LYS 41 CO 0.14 -0.44 -0.07 0.54 0.10 0.00 0.00 175.35 175.62 1wfs s VAL 42 N -3.14 1.03 -0.22 1.79 0.11 -1.26 0.11 120.40 118.82 1wfs s VAL 42 Ca 0.21 -0.37 -0.28 0.00 -2.93 0.00 0.00 61.98 58.60 1wfs s VAL 42 Cb 0.03 -1.10 0.01 0.00 -1.53 0.00 0.00 36.38 33.79 1wfs s VAL 42 CO 0.12 0.30 1.01 -1.81 -3.33 0.00 0.00 175.10 171.39 1wfs s ASP 43 N 1.70 7.08 0.57 3.54 1.01 -0.18 -4.90 116.67 125.48 1wfs s ASP 43 Ca 0.04 1.35 0.35 0.00 0.71 0.00 0.00 52.55 54.99 1wfs s ASP 43 Cb -0.13 -2.53 1.55 0.00 1.01 0.00 0.00 42.92 42.82 1wfs s ASP 43 CO -0.08 -0.64 2.06 0.50 0.21 0.00 0.00 175.17 177.22 1wfs h LYS 44 N 7.46 0.00 -0.04 8.23 3.11 -1.96 0.58 116.57 133.94 1wfs h LYS 44 Ca -0.20 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.38 1wfs h LYS 44 Cb 1.07 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 32.32 1wfs h LYS 44 CO 0.96 0.02 -0.97 0.22 -2.81 0.00 0.00 179.45 176.87 1wfs h ASP 45 N 0.00 0.90 -0.44 4.20 1.82 -1.96 -3.27 116.42 117.66 1wfs h ASP 45 Ca -0.00 -0.68 0.00 0.00 -0.39 0.00 0.00 57.03 55.96 1wfs h ASP 45 Cb 0.42 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.16 1wfs h ASP 45 CO 0.00 1.49 0.00 0.54 -1.61 0.00 0.00 179.24 179.66 1wfs n ARG 46 N -3.87 2.75 -3.86 0.28 1.74 -1.05 -4.98 116.66 107.66 1wfs n ARG 46 Ca -0.10 -2.20 -0.26 0.00 -0.77 0.00 0.00 57.85 54.53 1wfs n ARG 46 Cb 0.85 -1.36 -0.04 0.00 -1.02 0.00 0.00 32.46 30.88 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 0.86 -0.79 -3.84 5.56 1.13 0.20 -4.84 117.38 115.65 1wfs n GLN 47 Ca 0.15 0.01 -0.10 0.00 -1.94 0.00 0.00 57.00 55.12 1wfs n GLN 47 Cb 0.48 -2.22 -0.08 0.00 0.11 0.00 0.00 30.24 28.53 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 -6.35 0.70 -0.41 -1.09 0.23 -1.10 -2.23 119.30 109.05 1wfs s MET 48 Ca 0.11 -0.62 -0.23 0.00 -1.03 0.00 0.00 55.69 53.92 1wfs s MET 48 Cb -0.06 0.29 0.02 0.00 -1.53 0.00 0.00 34.83 33.54 1wfs s MET 48 CO 0.71 -0.20 0.75 0.08 -2.03 0.00 0.00 175.02 174.33 1wfs s VAL 49 N -2.56 4.72 0.03 5.16 1.01 0.76 -1.01 120.40 128.51 1wfs s VAL 49 Ca -0.05 0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.57 1wfs s VAL 49 Cb -0.01 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1wfs s VAL 49 CO -0.04 -0.56 -0.23 0.68 0.00 0.00 0.00 175.10 174.95 1wfs s VAL 50 N 3.11 2.42 0.31 2.92 -7.23 0.29 -1.84 120.40 120.39 1wfs s VAL 50 Ca 0.29 -1.24 -0.28 0.00 -1.81 0.00 0.00 61.98 58.93 1wfs s VAL 50 Cb -0.13 -1.96 -0.13 0.00 0.56 0.00 0.00 36.38 34.72 1wfs s VAL 50 CO 0.20 0.40 1.14 -0.11 -0.31 0.00 0.00 175.10 176.41 1wfs n LEU 51 N 1.81 2.55 -0.08 1.32 0.00 -1.26 -0.04 117.00 121.30 1wfs n LEU 51 Ca -0.17 1.19 -0.11 0.00 0.00 0.00 0.00 56.01 56.93 1wfs n LEU 51 Cb 0.52 -1.37 -0.07 0.00 0.00 0.00 0.00 43.42 42.49 1wfs n LEU 51 CO 0.24 -1.00 -1.01 1.21 0.00 0.00 0.00 177.39 176.83 1wfs n GLU 52 N 0.69 0.39 -3.77 1.96 2.13 0.87 -4.62 120.64 118.29 1wfs n GLU 52 Ca 0.08 0.09 -0.06 0.00 0.66 0.00 0.00 57.16 57.92 1wfs n GLU 52 Cb 0.34 -1.31 -0.02 0.00 0.27 0.00 0.00 31.44 30.72 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 -5.53 -0.27 -0.24 4.31 1.01 0.93 -5.00 116.67 111.88 1wfs s ASP 53 Ca -0.21 -0.47 -0.03 0.00 0.71 0.00 0.00 52.55 52.55 1wfs s ASP 53 Cb 0.05 0.63 0.13 0.00 1.01 0.00 0.00 42.92 44.75 1wfs s ASP 53 CO 0.36 -1.15 0.39 -1.61 0.21 0.00 0.00 175.17 173.36 1wfs s GLU 54 N -3.69 0.35 -0.04 8.23 2.02 -1.26 -1.54 118.70 122.77 1wfs s GLU 54 Ca 0.10 0.58 0.02 0.00 0.02 0.00 0.00 54.97 55.69 1wfs s GLU 54 Cb -0.04 -0.40 -0.03 0.00 0.10 0.00 0.00 34.13 33.76 1wfs s GLU 54 CO 0.03 -0.62 -0.09 -0.51 0.02 0.00 0.00 175.26 174.10 1wfs s LEU 55 N 2.56 3.06 0.30 1.80 1.43 -0.29 -5.02 118.68 122.52 1wfs s LEU 55 Ca 0.12 -0.10 0.10 0.00 -1.03 0.00 0.00 54.13 53.22 1wfs s LEU 55 Cb -0.15 -1.69 -0.06 0.00 0.03 0.00 0.00 46.19 44.32 1wfs s LEU 55 CO -0.16 0.34 -0.14 -1.10 0.23 0.00 0.00 176.35 175.52 1wfs s GLN 56 N -0.97 1.71 -1.40 1.70 1.11 -1.26 -0.76 119.66 119.79 1wfs s GLN 56 Ca 0.13 -1.83 -0.08 0.00 0.01 0.00 0.00 55.36 53.59 1wfs s GLN 56 Cb -0.11 -1.64 0.01 0.00 -1.01 0.00 0.00 33.01 30.26 1wfs s GLN 56 CO 0.03 0.21 0.35 0.27 0.01 0.00 0.00 175.29 176.15 1wfs n ASN 57 N -0.68 -0.96 -4.16 5.90 0.23 0.11 -4.93 115.26 110.77 1wfs n ASN 57 Ca -0.05 -1.15 -0.24 0.00 -0.53 0.00 0.00 54.58 52.60 1wfs n ASN 57 Cb 0.62 -2.34 -0.15 0.00 -2.08 0.00 0.00 39.78 35.83 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 -4.00 1.34 0.74 1.53 -1.16 -0.46 -5.00 121.20 114.20 1wfs s ILE 58 Ca 0.13 -0.73 -0.11 0.00 -0.51 0.00 0.00 60.65 59.43 1wfs s ILE 58 Cb -0.06 -1.12 0.05 0.00 0.61 0.00 0.00 42.46 41.94 1wfs s ILE 58 CO 0.94 0.38 1.11 -0.44 -2.81 0.00 0.00 174.94 174.12 1wfs s SER 59 N -0.38 4.98 0.00 4.50 0.01 -1.26 -4.48 113.70 117.06 1wfs s SER 59 Ca 0.06 0.89 0.10 0.00 1.31 0.00 0.00 55.95 58.31 1wfs s SER 59 Cb -0.07 -1.55 0.58 0.00 0.21 0.00 0.00 66.02 65.19 1wfs s SER 59 CO -0.01 -1.60 1.02 -0.81 0.41 0.00 0.00 173.24 172.25 1wfs n PRO 60 N -3.11 0.49 -0.08 12.44 -0.04 -1.26 -2.22 135.00 141.21 1wfs n PRO 60 Ca 0.07 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.47 1wfs n PRO 60 Cb 0.59 -1.31 -0.14 0.00 -0.04 0.00 0.00 33.50 32.60 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 1.04 0.09 0.54 1.02 -1.26 -4.29 120.64 116.96 1wfs n GLU 61 Ca 0.07 -0.03 -0.23 0.00 -0.02 0.00 0.00 57.16 56.95 1wfs n GLU 61 Cb 0.03 -1.45 -0.15 0.00 -0.02 0.00 0.00 31.44 29.85 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 0.21 3.49 4.39 -1.82 -3.35 114.58 117.91 1wfs h GLU 62 Ca -0.41 -0.70 0.01 0.00 0.34 0.00 0.00 59.36 58.60 1wfs h GLU 62 Cb 1.91 0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 30.78 1wfs h GLU 62 CO 0.02 1.34 -0.42 1.25 -1.16 0.00 0.00 179.01 180.04 1wfs h LEU 63 N -0.07 -1.22 -1.55 1.33 6.46 -1.77 0.22 115.31 118.72 1wfs h LEU 63 Ca -0.24 0.13 0.25 0.00 -0.12 0.00 0.00 57.88 57.89 1wfs h LEU 63 Cb 1.95 0.44 -0.03 0.00 -0.73 0.00 0.00 40.66 42.29 1wfs h LEU 63 CO 0.20 -0.52 0.90 0.50 -0.62 0.00 0.00 178.44 178.90 1wfs h LYS 64 N -0.72 0.00 0.08 1.25 3.64 -1.75 1.13 116.57 120.21 1wfs h LYS 64 Ca 0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1wfs h LYS 64 Cb 0.71 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1wfs h LYS 64 CO -0.19 0.00 -1.51 -0.07 -2.27 0.00 0.00 179.45 175.42 1wfs h LEU 65 N 0.00 0.26 -1.63 5.20 3.38 -1.13 -3.30 115.31 118.08 1wfs h LEU 65 Ca 0.41 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1wfs h LEU 65 Cb 2.20 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.86 1wfs h LEU 65 CO -0.00 1.32 -0.09 -0.33 0.09 0.00 0.00 178.44 179.42 1wfs h GLU 66 N 0.04 0.00 -6.77 1.13 4.39 0.25 -3.43 114.58 110.19 1wfs h GLU 66 Ca -0.22 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.98 1wfs h GLU 66 Cb 1.98 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.62 1wfs h GLU 66 CO 0.14 0.09 0.09 -0.51 -1.16 0.00 0.00 179.01 177.66 1wfs s LEU 67 N -6.59 3.95 0.00 1.33 1.43 -0.68 -5.09 118.68 113.03 1wfs s LEU 67 Ca -0.01 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.26 1wfs s LEU 67 Cb 0.11 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 42.31 1wfs s LEU 67 CO 0.56 -0.30 0.00 -0.81 0.23 0.00 0.00 176.35 176.03 1wfs n PRO 68 N -0.86 0.30 0.00 1.29 -0.04 -1.26 -4.98 135.00 129.45 1wfs n PRO 68 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1wfs n PRO 68 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.52 1.38 -1.48 0.54 0.28 -1.26 -4.83 120.64 114.74 1wfs n GLU 69 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.91 1wfs n GLU 69 Cb 0.00 -0.69 0.10 0.00 1.43 0.00 0.00 31.44 32.28 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 -1.13 2.50 -3.62 3.44 5.12 -1.26 -4.42 116.66 117.29 1wfs n ARG 70 Ca 0.00 -3.67 -0.13 0.00 -1.93 0.00 0.00 57.85 52.12 1wfs n ARG 70 Cb 0.19 -1.85 -0.12 0.00 -1.16 0.00 0.00 32.46 29.51 1wfs n ARG 70 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1wfs s GLN 71 N -3.28 0.19 0.16 5.56 0.74 -1.26 -4.07 119.66 117.71 1wfs s GLN 71 Ca 0.43 0.72 -0.30 0.00 0.05 0.00 0.00 55.36 56.26 1wfs s GLN 71 Cb 0.39 -0.14 -0.08 0.00 1.10 0.00 0.00 33.01 34.28 1wfs s GLN 71 CO -0.02 -0.35 1.33 -1.25 -0.55 0.00 0.00 175.29 174.45 1wfs s PRO 72 N 2.45 4.37 0.11 1.67 0.04 -1.26 -4.65 135.00 137.73 1wfs s PRO 72 Ca 0.02 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.90 1wfs s PRO 72 Cb -0.13 -3.22 0.05 0.00 0.04 0.00 0.00 34.50 31.24 1wfs s PRO 72 CO -0.10 -0.32 0.50 -0.98 0.04 0.00 0.00 177.00 176.14 1wfs s ARG 73 N 0.38 1.12 0.19 4.56 3.03 0.28 -4.90 118.95 123.61 1wfs s ARG 73 Ca 0.59 -0.48 0.01 0.00 2.03 0.00 0.00 55.73 57.88 1wfs s ARG 73 Cb -0.36 0.50 -0.04 0.00 -1.03 0.00 0.00 34.95 34.03 1wfs s ARG 73 CO 0.35 -0.44 0.36 -0.06 -1.13 0.00 0.00 175.30 174.38 1wfs s PHE 74 N -3.33 3.48 -0.18 5.89 0.08 -0.43 -1.44 117.98 122.06 1wfs s PHE 74 Ca -0.00 0.24 -0.15 0.00 0.12 0.00 0.00 56.93 57.13 1wfs s PHE 74 Cb 0.00 -1.77 0.05 0.00 -0.57 0.00 0.00 43.02 40.73 1wfs s PHE 74 CO -0.09 0.42 0.48 0.08 -0.10 0.00 0.00 175.22 176.00 1wfs s VAL 75 N -1.86 -0.00 -0.36 -0.44 1.01 -0.42 -0.89 120.40 117.43 1wfs s VAL 75 Ca 0.37 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1wfs s VAL 75 Cb -0.11 -0.67 0.10 0.00 0.00 0.00 0.00 36.38 35.70 1wfs s VAL 75 CO 0.29 0.01 0.09 -0.69 0.00 0.00 0.00 175.10 174.80 1wfs s VAL 76 N 0.53 2.46 -0.04 2.92 1.01 -0.52 0.94 120.40 127.71 1wfs s VAL 76 Ca -0.02 -2.37 -0.18 0.00 0.00 0.00 0.00 61.98 59.41 1wfs s VAL 76 Cb -0.04 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1wfs s VAL 76 CO -0.03 -0.63 0.48 -0.47 0.00 0.00 0.00 175.10 174.46 1wfs s TYR 77 N 0.85 3.64 -0.45 5.22 5.04 -1.10 -2.15 117.35 128.40 1wfs s TYR 77 Ca 0.11 1.01 0.01 0.00 -2.44 0.00 0.00 57.07 55.76 1wfs s TYR 77 Cb -0.20 -2.47 0.12 0.00 0.35 0.00 0.00 41.96 39.76 1wfs s TYR 77 CO -0.07 0.39 0.21 0.45 -1.34 0.00 0.00 175.55 175.20 1wfs s SER 78 N -0.23 4.91 0.41 4.32 0.15 -0.10 -2.49 113.70 120.66 1wfs s SER 78 Ca 0.26 -2.43 -0.11 0.00 0.70 0.00 0.00 55.95 54.37 1wfs s SER 78 Cb -0.17 -1.73 -0.07 0.00 -1.71 0.00 0.00 66.02 62.35 1wfs s SER 78 CO 0.13 -0.40 0.78 -0.47 1.20 0.00 0.00 173.24 174.48 1wfs s TYR 79 N 0.54 3.47 -0.41 3.44 5.04 -1.26 -3.41 117.35 124.76 1wfs s TYR 79 Ca 0.13 1.07 -0.10 0.00 -2.44 0.00 0.00 57.07 55.72 1wfs s TYR 79 Cb -0.22 -2.46 0.06 0.00 0.35 0.00 0.00 41.96 39.69 1wfs s TYR 79 CO -0.04 -0.11 0.25 0.21 -1.34 0.00 0.00 175.55 174.52 1wfs s LYS 80 N -3.82 2.70 -0.19 4.97 2.20 -1.26 -2.61 119.74 121.73 1wfs s LYS 80 Ca 0.52 -1.34 -0.12 0.00 -0.36 0.00 0.00 55.97 54.67 1wfs s LYS 80 Cb -0.10 -3.79 -0.05 0.00 -1.51 0.00 0.00 37.83 32.37 1wfs s LYS 80 CO 0.31 -0.89 0.20 -0.47 -0.36 0.00 0.00 175.35 174.14 1wfs s TYR 81 N 1.48 3.42 0.33 4.03 6.14 0.21 -4.95 117.35 128.01 1wfs s TYR 81 Ca 0.03 0.42 0.05 0.00 0.64 0.00 0.00 57.07 58.21 1wfs s TYR 81 Cb -0.22 -2.24 -0.01 0.00 0.42 0.00 0.00 41.96 39.90 1wfs s TYR 81 CO 0.04 0.24 0.48 0.08 0.64 0.00 0.00 175.55 177.03 1wfs s VAL 82 N 0.49 4.30 0.00 3.14 1.01 -1.26 0.50 120.40 128.58 1wfs s VAL 82 Ca 0.11 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1wfs s VAL 82 Cb -0.12 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1wfs s VAL 82 CO 0.01 -0.22 0.00 1.41 0.00 0.00 0.00 175.10 176.30 1wfs n HIS 83 N -1.67 0.00 0.00 5.22 8.25 0.20 -4.89 115.22 122.33 1wfs n HIS 83 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1wfs n HIS 83 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 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 -4.94 116.55 112.79 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 0.00 0.26 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.00 0.00 0.00 1.67 9.92 -1.26 -4.74 116.55 122.14 1wfs n ASP 85 Ca 0.00 0.42 0.00 0.00 -0.53 0.00 0.00 54.79 54.68 1wfs n ASP 85 Cb 0.00 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 1wfs n ASP 85 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wfs n GLY 86 N -0.30 1.48 3.59 0.44 0.00 -1.26 -5.13 105.19 104.01 1wfs n GLY 86 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 2.77 -0.02 1.61 1.81 -1.26 -5.01 118.95 118.84 1wfs s ARG 87 Ca 0.00 -0.54 -0.00 0.00 -1.72 0.00 0.00 55.73 53.47 1wfs s ARG 87 Cb 0.00 -2.61 0.03 0.00 -0.45 0.00 0.00 34.95 31.92 1wfs s ARG 87 CO 0.00 0.67 0.03 0.54 -0.68 0.00 0.00 175.30 175.85 1wfs s VAL 88 N -0.81 -0.01 0.10 3.52 0.11 -1.26 0.60 120.40 122.64 1wfs s VAL 88 Ca 0.12 0.20 0.08 0.00 -2.93 0.00 0.00 61.98 59.46 1wfs s VAL 88 Cb -0.11 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1wfs s VAL 88 CO 0.01 0.11 -0.21 -0.44 -3.33 0.00 0.00 175.10 171.24 1wfs s SER 89 N 1.12 2.50 -0.66 3.54 0.01 0.18 -4.96 113.70 115.43 1wfs s SER 89 Ca -0.08 -0.68 -0.09 0.00 1.31 0.00 0.00 55.95 56.40 1wfs s SER 89 Cb -0.13 -0.14 0.17 0.00 0.21 0.00 0.00 66.02 66.13 1wfs s SER 89 CO -0.03 0.05 0.54 -0.31 0.41 0.00 0.00 173.24 173.91 1wfs s TYR 90 N -1.16 3.54 -0.71 2.43 2.02 -1.26 0.66 117.35 122.87 1wfs s TYR 90 Ca 0.06 -2.15 -0.26 0.00 -0.37 0.00 0.00 57.07 54.35 1wfs s TYR 90 Cb -0.10 -3.54 -0.03 0.00 -0.40 0.00 0.00 41.96 37.89 1wfs s TYR 90 CO 0.04 -0.95 1.89 -1.25 -1.57 0.00 0.00 175.55 173.72 1wfs s PRO 91 N 0.48 2.60 0.24 -1.71 0.04 -1.07 -4.84 135.00 130.74 1wfs s PRO 91 Ca 0.14 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.17 1wfs s PRO 91 Cb -0.19 -4.63 -0.09 0.00 0.04 0.00 0.00 34.50 29.64 1wfs s PRO 91 CO -0.04 -2.96 1.20 -0.51 0.04 0.00 0.00 177.00 174.72 1wfs s LEU 92 N 9.44 4.47 0.06 -3.56 1.02 -1.26 -4.06 118.68 124.79 1wfs s LEU 92 Ca 0.68 2.35 0.01 0.00 0.02 0.00 0.00 54.13 57.18 1wfs s LEU 92 Cb -0.11 -3.62 -0.03 0.00 0.02 0.00 0.00 46.19 42.45 1wfs s LEU 92 CO 0.13 -0.35 -0.05 0.00 0.02 0.00 0.00 176.35 176.10 1wfs s PHE 94 N -2.92 3.26 -0.59 0.00 5.36 0.33 -2.72 117.98 120.69 1wfs s PHE 94 Ca 0.01 -1.03 -0.20 0.00 -0.96 0.00 0.00 56.93 54.75 1wfs s PHE 94 Cb 0.01 -3.13 0.08 0.00 -0.34 0.00 0.00 43.02 39.64 1wfs s PHE 94 CO -0.05 -0.80 0.77 0.42 -1.46 0.00 0.00 175.22 174.10 1wfs s ILE 95 N 1.61 4.67 -0.84 3.12 1.01 0.27 -0.28 121.20 130.76 1wfs s ILE 95 Ca 0.04 -0.67 -0.26 0.00 0.00 0.00 0.00 60.65 59.76 1wfs s ILE 95 Cb -0.24 -4.51 0.04 0.00 0.01 0.00 0.00 42.46 37.75 1wfs s ILE 95 CO 0.06 -1.16 1.36 0.12 0.00 0.00 0.00 174.94 175.32 1wfs s PHE 96 N 3.12 2.35 -0.62 3.97 5.36 -0.12 -1.30 117.98 130.75 1wfs s PHE 96 Ca 0.16 -0.31 -0.28 0.00 -0.96 0.00 0.00 56.93 55.54 1wfs s PHE 96 Cb -0.21 -4.64 0.02 0.00 -0.34 0.00 0.00 43.02 37.86 1wfs s PHE 96 CO 0.09 -2.03 1.34 0.45 -1.46 0.00 0.00 175.22 173.61 1wfs s SER 97 N 4.33 6.18 -0.23 6.13 0.15 -0.52 -2.31 113.70 127.43 1wfs s SER 97 Ca 0.40 0.05 -0.03 0.00 0.70 0.00 0.00 55.95 57.07 1wfs s SER 97 Cb -0.05 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.78 1wfs s SER 97 CO 0.06 -1.72 0.06 -0.94 1.20 0.00 0.00 173.24 171.90 1wfs s SER 98 N 4.05 3.25 0.68 5.45 1.04 -1.18 -0.56 113.70 126.43 1wfs s SER 98 Ca 0.46 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1wfs s SER 98 Cb -0.09 -0.62 0.00 0.00 0.10 0.00 0.00 66.02 65.41 1wfs s SER 98 CO 0.22 -0.35 0.00 -0.81 0.98 0.00 0.00 173.24 173.28 1wfs n PRO 99 N 5.03 -0.38 0.00 4.02 -0.04 -1.26 -4.23 135.00 138.15 1wfs n PRO 99 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1wfs n PRO 99 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 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 -1.87 0.00 0.36 0.52 3.14 -1.26 -4.68 118.33 114.55 1wfs n VAL 100 Ca 0.00 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.52 1wfs n VAL 100 Cb 0.00 -0.14 0.43 0.00 -1.06 0.00 0.00 33.84 33.07 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 0.00 0.00 -0.76 7.55 0.00 -1.93 -3.46 103.07 104.48 1wfs h GLY 101 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1wfs h GLY 101 CO 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.41 1wfs s LYS 103 N -4.36 3.33 0.03 0.00 1.02 -1.26 -4.99 119.74 113.51 1wfs s LYS 103 Ca 0.49 -0.50 0.15 0.00 0.02 0.00 0.00 55.97 56.12 1wfs s LYS 103 Cb -0.09 -2.97 0.65 0.00 -0.52 0.00 0.00 37.83 34.90 1wfs s LYS 103 CO 0.41 0.59 1.48 -0.35 -0.92 0.00 0.00 175.35 176.56 1wfs n PRO 104 N 0.25 0.02 0.09 -1.68 -0.04 -1.26 -1.98 135.00 130.39 1wfs n PRO 104 Ca -0.06 0.27 -0.14 0.00 -0.04 0.00 0.00 63.50 63.53 1wfs n PRO 104 Cb 0.51 -1.54 -0.08 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.33 0.00 0.54 4.39 -2.01 -3.26 114.58 114.57 1wfs h GLU 105 Ca 0.00 -0.44 -0.15 0.00 0.34 0.00 0.00 59.36 59.11 1wfs h GLU 105 Cb 0.26 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1wfs h GLU 105 CO 0.00 1.15 -1.09 1.04 -1.16 0.00 0.00 179.01 178.95 1wfs n GLN 106 N -3.64 0.52 -0.35 2.33 1.13 -1.07 -4.12 117.38 112.18 1wfs n GLN 106 Ca -0.07 0.50 0.34 0.00 -1.94 0.00 0.00 57.00 55.83 1wfs n GLN 106 Cb 0.92 -1.68 0.60 0.00 0.11 0.00 0.00 30.24 30.19 1wfs n GLN 106 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1wfs n GLN 107 N -4.49 -0.05 -0.27 -1.09 1.13 -0.84 0.21 117.38 111.99 1wfs n GLN 107 Ca -0.24 1.33 -0.06 0.00 -1.94 0.00 0.00 57.00 56.09 1wfs n GLN 107 Cb 0.54 -2.45 0.08 0.00 0.11 0.00 0.00 30.24 28.51 1wfs n GLN 107 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 1wfs h MET 108 N 0.00 1.15 -0.94 -1.09 2.86 -1.74 0.26 114.93 115.43 1wfs h MET 108 Ca 0.85 -0.23 0.09 0.00 -2.06 0.00 0.00 59.70 58.35 1wfs h MET 108 Cb 2.36 -0.18 -0.07 0.00 0.06 0.00 0.00 31.60 33.78 1wfs h MET 108 CO -0.69 0.96 0.61 0.52 1.06 0.00 0.00 176.91 179.37 1wfs h MET 109 N 1.11 0.96 0.17 1.72 2.86 0.24 0.14 114.93 122.13 1wfs h MET 109 Ca 0.25 -0.06 -0.32 0.00 -2.06 0.00 0.00 59.70 57.51 1wfs h MET 109 Cb 0.27 -0.22 0.01 0.00 0.06 0.00 0.00 31.60 31.72 1wfs h MET 109 CO -0.01 0.64 -1.58 1.88 1.06 0.00 0.00 176.91 178.89 1wfs h TYR 110 N 0.99 0.67 0.00 -0.22 -1.99 -1.27 -2.15 116.97 113.00 1wfs h TYR 110 Ca 0.43 -0.49 -0.00 0.00 2.00 0.00 0.00 58.73 60.67 1wfs h TYR 110 Cb 0.35 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.06 1wfs h TYR 110 CO -0.00 1.61 -0.02 0.00 -0.00 0.00 0.00 178.16 179.75 1wfs h ALA 111 N 0.07 1.75 0.00 3.88 0.00 -0.13 1.65 119.26 126.48 1wfs h ALA 111 Ca -0.31 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 1wfs h ALA 111 Cb 1.99 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.75 1wfs h ALA 111 CO 0.16 0.03 -1.91 0.41 0.00 0.00 0.00 179.25 177.94 1wfs n GLY 112 N -1.36 -1.08 0.28 0.00 0.00 0.45 -4.24 105.19 99.24 1wfs n GLY 112 Ca -0.03 -0.36 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 -2.56 1.57 0.11 1.61 7.64 -0.81 -4.57 113.62 116.62 1wfs n SER 113 Ca -0.13 -1.28 -0.07 0.00 1.01 0.00 0.00 58.87 58.39 1wfs n SER 113 Cb 0.79 0.70 -0.04 0.00 -1.01 0.00 0.00 64.21 64.65 1wfs n SER 113 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1wfs h LYS 114 N 1.37 -0.38 -1.17 1.43 3.64 0.22 0.16 116.57 121.84 1wfs h LYS 114 Ca 0.00 0.03 0.33 0.00 -1.27 0.00 0.00 60.65 59.74 1wfs h LYS 114 Cb 0.64 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.47 1wfs h LYS 114 CO 0.00 -0.26 0.81 -0.91 -2.27 0.00 0.00 179.45 176.82 1wfs h ASN 115 N -0.40 0.15 0.07 4.20 2.35 -1.81 0.24 115.58 120.37 1wfs h ASN 115 Ca -0.02 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1wfs h ASN 115 Cb 0.35 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1wfs h ASN 115 CO -0.03 0.01 -0.03 -0.09 -1.65 0.00 0.00 177.43 175.64 1wfs h ARG 116 N 0.13 -0.08 -0.32 0.81 9.65 -1.61 -0.61 114.38 122.35 1wfs h ARG 116 Ca 0.60 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.47 1wfs h ARG 116 Cb 2.08 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 30.67 1wfs h ARG 116 CO -0.12 0.40 0.14 1.25 2.80 0.00 0.00 179.97 184.43 1wfs h LEU 117 N -0.62 0.43 0.17 3.80 7.12 0.15 -2.28 115.31 124.08 1wfs h LEU 117 Ca -0.01 -0.15 -0.01 0.00 0.13 0.00 0.00 57.88 57.84 1wfs h LEU 117 Cb 0.52 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.54 1wfs h LEU 117 CO 0.01 0.47 -0.08 0.58 -0.13 0.00 0.00 178.44 179.29 1wfs h VAL 118 N 0.37 0.88 -0.98 1.05 2.07 -0.73 -2.70 116.25 116.22 1wfs h VAL 118 Ca 0.11 -0.21 0.20 0.00 0.82 0.00 0.00 66.70 67.61 1wfs h VAL 118 Cb 0.16 1.01 -0.09 0.00 -1.52 0.00 0.00 31.29 30.85 1wfs h VAL 118 CO -0.01 0.05 0.61 1.56 0.02 0.00 0.00 177.57 179.80 1wfs h GLN 119 N -0.33 0.62 -0.61 1.57 4.20 -1.06 0.48 115.11 119.98 1wfs h GLN 119 Ca -0.02 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1wfs h GLN 119 Cb 0.26 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1wfs h GLN 119 CO 0.04 0.41 0.30 1.15 -0.67 0.00 0.00 178.83 180.06 1wfs h THR 120 N 0.64 1.21 0.00 -0.54 2.02 -1.10 -2.14 112.91 113.00 1wfs h THR 120 Ca 0.54 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1wfs h THR 120 Cb 1.00 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1wfs h THR 120 CO -0.30 0.24 -0.04 0.00 0.37 0.00 0.00 175.52 175.79 1wfs h ALA 121 N 1.13 0.99 -1.67 6.16 0.00 -0.72 -3.46 119.26 121.69 1wfs h ALA 121 Ca 0.21 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 1wfs h ALA 121 Cb 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1wfs h ALA 121 CO -0.03 0.05 -0.24 -1.91 0.00 0.00 0.00 179.25 177.12 1wfs n GLU 122 N -3.13 -1.33 -2.81 0.00 2.13 -0.18 -4.83 120.64 110.50 1wfs n GLU 122 Ca 0.02 0.40 -0.43 0.00 0.66 0.00 0.00 57.16 57.81 1wfs n GLU 122 Cb 0.41 -4.29 -0.02 0.00 0.27 0.00 0.00 31.44 27.81 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 -2.77 4.57 0.50 4.31 1.43 -1.20 -4.84 118.68 120.67 1wfs s LEU 123 Ca 0.06 -2.07 0.25 0.00 -1.03 0.00 0.00 54.13 51.34 1wfs s LEU 123 Cb -0.03 -2.46 1.32 0.00 0.03 0.00 0.00 46.19 45.06 1wfs s LEU 123 CO 0.07 -1.13 1.91 0.74 0.23 0.00 0.00 176.35 178.17 1wfs h THR 124 N 5.88 0.65 -3.16 5.49 2.02 -1.91 -3.31 112.91 118.57 1wfs h THR 124 Ca 0.21 -0.05 -0.74 0.00 0.77 0.00 0.00 66.41 66.61 1wfs h THR 124 Cb 0.99 0.50 -0.22 0.00 -1.74 0.00 0.00 68.15 67.67 1wfs h THR 124 CO 1.23 0.03 0.11 -0.54 0.37 0.00 0.00 175.52 176.72 1wfs s LYS 125 N -5.14 3.25 -0.17 6.66 1.02 -1.26 -5.02 119.74 119.08 1wfs s LYS 125 Ca -0.06 -1.80 0.01 0.00 0.02 0.00 0.00 55.97 54.14 1wfs s LYS 125 Cb 0.21 -4.40 0.01 0.00 -0.52 0.00 0.00 37.83 33.14 1wfs s LYS 125 CO 0.76 -1.44 -0.18 0.54 -0.92 0.00 0.00 175.35 174.11 1wfs s VAL 126 N 1.68 2.30 0.28 3.17 0.11 -1.25 -0.52 120.40 126.18 1wfs s VAL 126 Ca 0.14 -0.87 0.09 0.00 -2.93 0.00 0.00 61.98 58.41 1wfs s VAL 126 Cb -0.19 -1.97 -0.04 0.00 -1.53 0.00 0.00 36.38 32.64 1wfs s VAL 126 CO -0.01 0.52 0.01 -0.36 -3.33 0.00 0.00 175.10 171.94 1wfs s PHE 127 N 1.17 2.68 -0.10 1.54 0.08 0.62 -4.94 117.98 119.03 1wfs s PHE 127 Ca 0.02 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 56.81 1wfs s PHE 127 Cb -0.14 -1.27 0.02 0.00 -0.57 0.00 0.00 43.02 41.06 1wfs s PHE 127 CO -0.08 0.57 -0.09 -2.00 -0.10 0.00 0.00 175.22 173.52 1wfs s GLU 128 N -3.70 1.62 -0.19 0.44 2.12 -1.26 -0.94 118.70 116.79 1wfs s GLU 128 Ca 0.32 -0.32 -0.09 0.00 0.36 0.00 0.00 54.97 55.25 1wfs s GLU 128 Cb -0.05 -1.56 -0.05 0.00 0.26 0.00 0.00 34.13 32.73 1wfs s GLU 128 CO 0.20 -0.18 0.13 0.96 -0.54 0.00 0.00 175.26 175.83 1wfs s ILE 129 N 1.39 5.39 -0.48 -3.70 -4.36 -0.98 -4.97 121.20 113.49 1wfs s ILE 129 Ca -0.01 0.18 0.26 0.00 -0.26 0.00 0.00 60.65 60.82 1wfs s ILE 129 Cb -0.13 -3.44 0.29 0.00 1.25 0.00 0.00 42.46 40.43 1wfs s ILE 129 CO -0.05 0.47 1.76 -0.09 0.24 0.00 0.00 174.94 177.27 1wfs h ARG 130 N 6.40 0.00 -1.42 0.37 9.65 -1.89 -3.12 114.38 124.37 1wfs h ARG 130 Ca -0.43 0.00 0.11 0.00 -1.10 0.00 0.00 59.98 58.56 1wfs h ARG 130 Cb 1.16 0.00 -0.28 0.00 -1.39 0.00 0.00 29.97 29.47 1wfs h ARG 130 CO 0.73 0.00 0.61 -0.08 2.80 0.00 0.00 179.97 184.03 1wfs s THR 131 N -3.28 0.00 0.19 0.20 -1.32 -1.26 -4.18 115.64 105.99 1wfs s THR 131 Ca 0.06 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.46 1wfs s THR 131 Cb 0.10 -1.00 0.27 0.00 -1.51 0.00 0.00 72.50 70.36 1wfs s THR 131 CO 0.51 0.00 1.11 0.35 -2.21 0.00 0.00 174.62 174.39 1wfs n THR 132 N 1.74 -0.33 -0.28 5.08 -2.24 -1.26 0.93 114.28 117.93 1wfs n THR 132 Ca -0.11 1.65 0.10 0.00 -2.27 0.00 0.00 64.05 63.42 1wfs n THR 132 Cb 0.57 -2.25 0.20 0.00 -2.10 0.00 0.00 70.33 66.74 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 -5.13 -0.16 -0.25 3.42 9.92 -1.26 0.12 116.55 123.21 1wfs n ASP 133 Ca 0.10 1.37 0.02 0.00 -0.53 0.00 0.00 54.79 55.75 1wfs n ASP 133 Cb 0.33 -0.47 0.10 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 -0.58 -0.20 -2.24 1.82 0.15 -3.34 116.42 112.02 1wfs h ASP 134 Ca 0.45 0.21 -0.08 0.00 -0.39 0.00 0.00 57.03 57.23 1wfs h ASP 134 Cb 0.86 0.42 -0.03 0.00 0.68 0.00 0.00 39.33 41.27 1wfs h ASP 134 CO -0.78 -0.22 0.49 -0.11 -1.61 0.00 0.00 179.24 177.01 1wfs n LEU 135 N -5.44 0.80 -4.13 2.28 7.94 0.32 -4.67 117.00 114.09 1wfs n LEU 135 Ca 0.11 -1.46 -0.21 0.00 -1.11 0.00 0.00 56.01 53.33 1wfs n LEU 135 Cb 0.40 -1.37 -0.14 0.00 0.53 0.00 0.00 43.42 42.83 1wfs n LEU 135 CO 0.02 -2.51 -0.47 0.42 -1.11 0.00 0.00 177.39 173.74 1wfs s THR 136 N 11.30 1.12 0.30 1.96 -4.23 -1.26 -4.69 115.64 120.14 1wfs s THR 136 Ca 0.93 -0.87 0.01 0.00 -1.18 0.00 0.00 61.69 60.58 1wfs s THR 136 Cb -0.26 -0.99 0.41 0.00 1.34 0.00 0.00 72.50 73.01 1wfs s THR 136 CO 0.20 0.11 1.51 1.21 -0.54 0.00 0.00 174.62 177.10 1wfs n GLU 137 N 2.17 -0.08 0.22 3.99 2.13 -1.26 -0.93 120.64 126.88 1wfs n GLU 137 Ca -0.17 1.45 -0.10 0.00 0.66 0.00 0.00 57.16 59.01 1wfs n GLU 137 Cb 0.55 -2.29 -0.05 0.00 0.27 0.00 0.00 31.44 29.92 1wfs n GLU 137 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1wfs h THR 138 N 0.00 0.00 -0.61 6.31 2.02 -1.95 -1.95 112.91 116.72 1wfs h THR 138 Ca 0.57 -0.42 0.18 0.00 0.77 0.00 0.00 66.41 67.51 1wfs h THR 138 Cb 1.15 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1wfs h THR 138 CO -0.92 0.00 1.01 -0.25 0.37 0.00 0.00 175.52 175.73 1wfs h TRP 139 N -1.04 0.00 0.00 3.16 7.01 -1.48 0.12 115.95 123.72 1wfs h TRP 139 Ca -0.06 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.94 1wfs h TRP 139 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.54 1wfs h TRP 139 CO 0.02 0.00 -0.10 1.25 -2.79 0.00 0.00 178.44 176.81 1wfs h LEU 140 N 0.00 0.00 -1.18 0.65 5.85 -0.94 -3.34 115.31 116.36 1wfs h LEU 140 Ca 0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1wfs h LEU 140 Cb 2.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.34 1wfs h LEU 140 CO -0.00 0.21 0.45 0.11 -0.34 0.00 0.00 178.44 178.87 1wfs h LYS 141 N -0.32 0.00 0.30 1.25 1.57 -0.43 -0.46 116.57 118.48 1wfs h LYS 141 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1wfs h LYS 141 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1wfs h LYS 141 CO 0.00 0.00 -0.14 0.93 -0.57 0.00 0.00 179.45 179.67 1wfs h GLU 142 N 0.00 -0.39 -0.79 3.15 5.08 -0.96 0.14 114.58 120.81 1wfs h GLU 142 Ca 0.00 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1wfs h GLU 142 Cb 0.90 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 1wfs h GLU 142 CO 0.00 -0.05 0.52 0.87 -1.00 0.00 0.00 179.01 179.35 1wfs h LYS 143 N -0.88 0.98 -0.11 2.33 1.79 -1.20 -2.67 116.57 116.82 1wfs h LYS 143 Ca -0.04 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.29 1wfs h LYS 143 Cb 0.52 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1wfs h LYS 143 CO 0.07 0.65 -0.24 -0.07 -1.08 0.00 0.00 179.45 178.77 1wfs h LEU 144 N 1.01 0.40 0.00 2.94 3.38 -1.52 -2.81 115.31 118.70 1wfs h LEU 144 Ca 0.31 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1wfs h LEU 144 Cb -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1wfs h LEU 144 CO -0.08 0.90 0.00 0.00 0.09 0.00 0.00 178.44 179.34 1wfs n ALA 145 N -2.47 0.00 -2.36 1.53 0.00 0.48 -4.50 120.51 113.19 1wfs n ALA 145 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 1wfs n ALA 145 Cb 0.44 0.38 0.04 0.00 0.00 0.00 0.00 19.45 20.30 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 -2.55 -0.73 -4.33 0.00 2.88 -1.22 -5.11 113.62 102.56 1wfs n SER 146 Ca 0.00 -1.50 -0.33 0.00 -1.33 0.00 0.00 58.87 55.71 1wfs n SER 146 Cb 0.00 0.32 0.12 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.61 -2.40 3.59 0.46 0.00 -1.06 -4.82 105.19 100.36 1wfs n GLY 147 Ca -0.11 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.40 3.23 -0.04 1.61 0.04 -1.26 -4.98 135.00 130.20 1wfs s PRO 148 Ca 0.55 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.77 1wfs s PRO 148 Cb -0.18 -4.20 0.01 0.00 0.04 0.00 0.00 34.50 30.17 1wfs s PRO 148 CO 0.68 -1.98 -0.07 -1.54 0.04 0.00 0.00 177.00 174.13 1wfs s SER 149 N 6.10 1.11 -0.28 6.66 1.04 -1.26 -5.12 113.70 121.95 1wfs s SER 149 Ca 0.74 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 57.02 1wfs s SER 149 Cb -0.19 -0.45 0.07 0.00 0.10 0.00 0.00 66.02 65.55 1wfs s SER 149 CO 0.31 -0.00 -0.03 -0.94 0.98 0.00 0.00 173.24 173.55 1wfs s SER 150 N 0.62 4.36 0.00 7.02 1.04 -1.26 -5.26 113.70 120.21 1wfs s SER 150 Ca -0.09 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 54.76 1wfs s SER 150 Cb -0.12 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.57 1wfs s SER 150 CO 0.01 -0.27 0.08 0.61 0.98 0.00 0.00 173.24 174.64