#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbx s HIS 3 N 0.00 -0.57 0.01 0.54 3.76 -1.09 -5.00 115.29 112.94 1wbx s HIS 3 Ca 0.00 0.61 -0.16 0.00 -0.15 0.00 0.00 55.06 55.37 1wbx s HIS 3 Cb 0.00 0.49 0.03 0.00 1.11 0.00 0.00 32.58 34.20 1wbx s HIS 3 CO 0.00 -0.75 0.34 -1.54 -0.85 0.00 0.00 174.74 171.94 1wbx s SER 4 N -2.15 -0.20 -0.02 1.40 1.04 -1.26 -0.17 113.70 112.34 1wbx s SER 4 Ca -0.04 0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.46 1wbx s SER 4 Cb -0.01 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 1wbx s SER 4 CO -0.04 -0.54 -0.17 -0.32 0.98 0.00 0.00 173.24 173.15 1wbx s MET 5 N -1.87 1.56 -0.04 4.02 1.75 -0.32 -0.52 119.30 123.88 1wbx s MET 5 Ca -0.10 -0.62 -0.05 0.00 -1.25 0.00 0.00 55.69 53.67 1wbx s MET 5 Cb -0.03 -1.44 0.01 0.00 2.84 0.00 0.00 34.83 36.20 1wbx s MET 5 CO 0.01 0.33 0.13 1.03 -0.65 0.00 0.00 175.02 175.87 1wbx s ARG 6 N -0.24 0.25 -0.12 4.11 1.81 -0.01 -1.51 118.95 123.23 1wbx s ARG 6 Ca 0.03 0.01 -0.01 0.00 -1.72 0.00 0.00 55.73 54.04 1wbx s ARG 6 Cb -0.09 0.11 -0.02 0.00 -0.45 0.00 0.00 34.95 34.50 1wbx s ARG 6 CO 0.00 -0.04 -0.10 0.71 -0.68 0.00 0.00 175.30 175.19 1wbx s TYR 7 N -0.36 2.86 -0.26 -0.53 1.51 0.31 -0.01 117.35 120.87 1wbx s TYR 7 Ca -0.04 -0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 55.55 1wbx s TYR 7 Cb -0.03 -1.84 0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1wbx s TYR 7 CO 0.00 -0.08 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.27 1wbx s PHE 8 N 0.13 3.12 -0.03 2.71 0.40 0.01 -1.50 117.98 122.81 1wbx s PHE 8 Ca -0.05 -1.59 0.06 0.00 -0.60 0.00 0.00 56.93 54.75 1wbx s PHE 8 Cb -0.14 -2.08 -0.02 0.00 0.51 0.00 0.00 43.02 41.28 1wbx s PHE 8 CO 0.04 -0.74 -0.19 -1.21 0.70 0.00 0.00 175.22 173.82 1wbx s GLU 9 N 1.32 2.32 -0.04 0.44 2.02 0.38 -1.52 118.70 123.62 1wbx s GLU 9 Ca -0.01 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1wbx s GLU 9 Cb -0.17 -2.23 0.03 0.00 0.10 0.00 0.00 34.13 31.85 1wbx s GLU 9 CO -0.03 0.59 -0.01 0.99 0.02 0.00 0.00 175.26 176.82 1wbx s THR 10 N -0.69 0.29 -0.10 3.63 2.01 -0.03 -1.09 115.64 119.67 1wbx s THR 10 Ca 0.11 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.19 1wbx s THR 10 Cb -0.10 -0.38 -0.00 0.00 0.01 0.00 0.00 72.50 72.03 1wbx s THR 10 CO 0.00 0.18 -0.24 0.00 -0.69 0.00 0.00 174.62 173.87 1wbx s ALA 11 N 1.11 2.19 -0.14 7.40 0.00 -0.21 -0.74 121.76 131.36 1wbx s ALA 11 Ca -0.08 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1wbx s ALA 11 Cb -0.14 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1wbx s ALA 11 CO -0.01 0.31 -0.14 0.08 0.00 0.00 0.00 175.76 175.99 1wbx s VAL 12 N 0.27 1.53 0.35 0.00 1.01 0.29 -1.32 120.40 122.53 1wbx s VAL 12 Ca -0.17 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 60.94 1wbx s VAL 12 Cb -0.17 -1.43 -0.10 0.00 0.00 0.00 0.00 36.38 34.68 1wbx s VAL 12 CO 0.08 0.45 0.98 -0.94 0.00 0.00 0.00 175.10 175.67 1wbx s SER 13 N 1.38 7.16 -0.32 3.32 1.04 -0.61 -0.60 113.70 125.07 1wbx s SER 13 Ca 0.02 1.90 0.02 0.00 0.48 0.00 0.00 55.95 58.37 1wbx s SER 13 Cb -0.13 -2.58 0.08 0.00 0.10 0.00 0.00 66.02 63.49 1wbx s SER 13 CO -0.08 -0.20 0.02 -0.13 0.98 0.00 0.00 173.24 173.83 1wbx s ARG 14 N -2.22 1.92 -0.07 4.02 0.52 -1.26 -4.24 118.95 117.62 1wbx s ARG 14 Ca 0.53 -1.63 -0.35 0.00 -0.52 0.00 0.00 55.73 53.76 1wbx s ARG 14 Cb -0.19 -3.17 -0.12 0.00 0.52 0.00 0.00 34.95 31.98 1wbx s ARG 14 CO 0.25 -0.81 1.82 -2.30 0.02 0.00 0.00 175.30 174.28 1wbx n PRO 15 N 4.41 2.07 0.00 3.54 -0.02 -1.26 -0.92 135.00 142.82 1wbx n PRO 15 Ca -0.05 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1wbx n PRO 15 Cb 0.42 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1wbx n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wbx n GLY 16 N 4.21 0.68 3.64 -1.23 0.00 -1.26 -5.01 105.19 106.23 1wbx n GLY 16 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1wbx n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wbx s LEU 17 N 0.00 3.34 0.14 0.99 1.43 -0.10 -5.03 118.68 119.44 1wbx s LEU 17 Ca 0.00 -0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 52.87 1wbx s LEU 17 Cb 0.00 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 1wbx s LEU 17 CO 0.00 0.24 1.39 -0.08 0.23 0.00 0.00 176.35 178.13 1wbx h GLU 18 N 4.05 0.69 -5.54 1.70 4.57 -1.97 -3.44 114.58 114.64 1wbx h GLU 18 Ca -0.48 -0.51 -0.64 0.00 -1.18 0.00 0.00 59.36 56.54 1wbx h GLU 18 Cb 1.17 0.09 -0.14 0.00 -0.16 0.00 0.00 28.75 29.70 1wbx h GLU 18 CO 0.56 1.13 -0.57 -1.21 -1.18 0.00 0.00 179.01 177.74 1wbx s GLU 19 N -3.85 3.59 0.91 1.92 0.41 -1.26 -5.03 118.70 115.39 1wbx s GLU 19 Ca -0.09 -0.34 -0.13 0.00 -0.41 0.00 0.00 54.97 54.01 1wbx s GLU 19 Cb 0.10 -3.07 0.14 0.00 -1.78 0.00 0.00 34.13 29.51 1wbx s GLU 19 CO 0.88 0.48 1.17 -1.25 -0.49 0.00 0.00 175.26 176.04 1wbx s PRO 20 N -0.22 1.15 -0.11 0.39 0.04 -1.26 -4.46 135.00 130.52 1wbx s PRO 20 Ca 0.07 0.15 -0.21 0.00 0.04 0.00 0.00 61.00 61.05 1wbx s PRO 20 Cb -0.12 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1wbx s PRO 20 CO 0.02 -2.16 0.61 0.50 0.04 0.00 0.00 177.00 176.00 1wbx s ARG 21 N -5.43 4.37 -0.09 4.56 3.52 0.23 -4.90 118.95 121.21 1wbx s ARG 21 Ca 0.65 0.68 0.03 0.00 -0.13 0.00 0.00 55.73 56.96 1wbx s ARG 21 Cb -0.12 -3.46 0.01 0.00 -1.56 0.00 0.00 34.95 29.81 1wbx s ARG 21 CO 0.52 0.05 -0.20 -0.47 -0.81 0.00 0.00 175.30 174.39 1wbx s TYR 22 N 0.91 2.22 -0.07 5.12 5.04 -1.26 -0.55 117.35 128.76 1wbx s TYR 22 Ca 0.32 -0.92 0.03 0.00 -2.44 0.00 0.00 57.07 54.05 1wbx s TYR 22 Cb -0.16 -1.52 0.01 0.00 0.35 0.00 0.00 41.96 40.64 1wbx s TYR 22 CO 0.14 -0.40 -0.15 0.42 -1.34 0.00 0.00 175.55 174.22 1wbx s ILE 23 N 0.52 1.32 -0.07 3.14 1.01 0.08 -1.00 121.20 126.19 1wbx s ILE 23 Ca -0.16 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 59.94 1wbx s ILE 23 Cb -0.17 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.12 1wbx s ILE 23 CO 0.06 0.40 -0.19 -0.55 0.00 0.00 0.00 174.94 174.65 1wbx s SER 24 N 0.60 2.53 -0.09 3.58 0.15 -0.16 -0.85 113.70 119.45 1wbx s SER 24 Ca -0.15 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.07 1wbx s SER 24 Cb -0.16 -1.01 0.02 0.00 -1.71 0.00 0.00 66.02 63.16 1wbx s SER 24 CO 0.05 0.13 -0.12 -0.69 1.20 0.00 0.00 173.24 173.82 1wbx s VAL 25 N 0.30 1.20 0.07 4.45 1.01 -0.57 -0.36 120.40 126.49 1wbx s VAL 25 Ca -0.13 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1wbx s VAL 25 Cb -0.15 -1.13 -0.06 0.00 0.00 0.00 0.00 36.38 35.03 1wbx s VAL 25 CO 0.05 0.38 0.44 -0.83 0.00 0.00 0.00 175.10 175.14 1wbx s GLY 26 N 1.09 2.42 -0.02 4.51 0.00 -0.28 -0.81 107.32 114.24 1wbx s GLY 26 Ca -0.06 -0.27 0.04 0.00 0.00 0.00 0.00 44.72 44.43 1wbx s GLY 26 CO -0.02 0.01 -0.13 -0.19 0.00 0.00 0.00 173.10 172.78 1wbx s TYR 27 N -1.30 1.20 -0.13 1.90 1.51 0.98 -0.92 117.35 120.60 1wbx s TYR 27 Ca 0.31 -0.26 0.02 0.00 -1.01 0.00 0.00 57.07 56.14 1wbx s TYR 27 Cb -0.15 -0.79 0.01 0.00 -0.11 0.00 0.00 41.96 40.92 1wbx s TYR 27 CO 0.17 -0.05 -0.20 0.08 -1.11 0.00 0.00 175.55 174.43 1wbx s VAL 28 N -0.17 1.91 -1.61 0.71 1.01 -0.46 -0.83 120.40 120.95 1wbx s VAL 28 Ca 0.02 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 1wbx s VAL 28 Cb -0.07 -1.69 0.12 0.00 0.00 0.00 0.00 36.38 34.74 1wbx s VAL 28 CO -0.00 0.52 0.85 0.47 0.00 0.00 0.00 175.10 176.94 1wbx n ASP 29 N 4.06 -3.70 0.00 3.32 9.92 0.32 -1.56 116.55 128.91 1wbx n ASP 29 Ca -0.20 -0.92 0.00 0.00 -0.53 0.00 0.00 54.79 53.15 1wbx n ASP 29 Cb 0.52 -3.25 0.00 0.00 -0.64 0.00 0.00 41.12 37.75 1wbx n ASP 29 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1wbx n ASN 30 N -2.75 -3.51 -4.50 -2.24 3.02 -1.26 -5.00 115.26 99.02 1wbx n ASN 30 Ca 0.03 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.23 1wbx n ASN 30 Cb 0.52 -1.25 -0.12 0.00 -0.61 0.00 0.00 39.78 38.32 1wbx n ASN 30 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1wbx s LYS 31 N -0.51 3.73 0.12 3.52 2.47 -0.60 -5.05 119.74 123.43 1wbx s LYS 31 Ca 0.00 -0.45 -0.33 0.00 -1.56 0.00 0.00 55.97 53.63 1wbx s LYS 31 Cb 0.00 -3.23 -0.12 0.00 -1.46 0.00 0.00 37.83 33.01 1wbx s LYS 31 CO 0.00 -0.01 1.72 -1.91 0.16 0.00 0.00 175.35 175.30 1wbx n GLU 32 N 4.38 2.43 0.00 4.03 2.13 -1.26 -1.35 120.64 131.01 1wbx n GLU 32 Ca -0.16 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.54 1wbx n GLU 32 Cb 0.52 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.52 1wbx n GLU 32 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 1wbx n PHE 33 N 4.59 0.00 -3.82 4.31 -1.74 -0.09 -4.22 117.46 116.47 1wbx n PHE 33 Ca 0.18 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.97 1wbx n PHE 33 Cb 0.32 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.24 1wbx n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1wbx s VAL 34 N -1.08 0.11 -0.17 1.97 -7.23 -1.21 -0.84 120.40 111.96 1wbx s VAL 34 Ca 0.00 -0.93 -0.14 0.00 -1.81 0.00 0.00 61.98 59.11 1wbx s VAL 34 Cb 0.00 -1.05 0.05 0.00 0.56 0.00 0.00 36.38 35.94 1wbx s VAL 34 CO 0.00 -0.51 0.44 -0.60 -0.31 0.00 0.00 175.10 174.12 1wbx s ARG 35 N -2.97 0.49 -0.03 4.82 3.52 -0.67 -1.13 118.95 122.98 1wbx s ARG 35 Ca -0.02 0.66 0.05 0.00 -0.13 0.00 0.00 55.73 56.30 1wbx s ARG 35 Cb 0.01 0.18 -0.01 0.00 -1.56 0.00 0.00 34.95 33.57 1wbx s ARG 35 CO -0.06 -0.09 -0.18 0.12 -0.81 0.00 0.00 175.30 174.29 1wbx s PHE 36 N 0.54 1.67 -0.09 5.12 2.19 0.52 -0.95 117.98 126.97 1wbx s PHE 36 Ca -0.02 -0.40 -0.03 0.00 0.33 0.00 0.00 56.93 56.81 1wbx s PHE 36 Cb -0.04 -1.10 0.05 0.00 -1.31 0.00 0.00 43.02 40.61 1wbx s PHE 36 CO -0.03 -0.10 0.11 0.34 1.83 0.00 0.00 175.22 177.38 1wbx s ASP 37 N -0.20 1.29 0.40 6.13 -1.08 -1.26 -0.99 116.67 120.96 1wbx s ASP 37 Ca 0.02 -0.01 0.28 0.00 -0.52 0.00 0.00 52.55 52.31 1wbx s ASP 37 Cb -0.09 0.01 1.40 0.00 -1.46 0.00 0.00 42.92 42.78 1wbx s ASP 37 CO 0.01 -0.28 1.85 0.77 0.52 0.00 0.00 175.17 178.04 1wbx h SER 38 N 8.40 0.00 0.77 -0.34 4.64 -1.47 -3.02 113.55 122.54 1wbx h SER 38 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1wbx h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1wbx h SER 38 CO 0.19 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.62 1wbx n ASP 39 N -2.50 0.00 -4.74 4.97 10.43 -1.26 -4.79 116.55 118.66 1wbx n ASP 39 Ca -0.01 0.17 -0.30 0.00 2.57 0.00 0.00 54.79 57.22 1wbx n ASP 39 Cb 0.11 -0.39 0.12 0.00 1.84 0.00 0.00 41.12 42.80 1wbx n ASP 39 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1wbx s ALA 40 N -2.78 1.85 0.06 2.24 0.00 -1.14 -4.97 121.76 117.03 1wbx s ALA 40 Ca 0.21 0.07 -0.28 0.00 0.00 0.00 0.00 51.96 51.96 1wbx s ALA 40 Cb 0.19 -3.22 -0.17 0.00 0.00 0.00 0.00 23.12 19.92 1wbx s ALA 40 CO 0.49 -2.10 1.59 1.49 0.00 0.00 0.00 175.76 177.23 1wbx h GLU 41 N -1.37 -0.50 -3.31 0.00 4.81 -1.92 -3.33 114.58 108.97 1wbx h GLU 41 Ca -0.47 0.03 -0.65 0.00 -0.13 0.00 0.00 59.36 58.15 1wbx h GLU 41 Cb 1.26 0.11 -0.40 0.00 0.63 0.00 0.00 28.75 30.35 1wbx h GLU 41 CO 0.53 -0.29 -0.53 1.21 -0.73 0.00 0.00 179.01 179.20 1wbx s ASN 42 N -4.79 4.74 0.03 1.04 2.47 -1.26 -5.09 114.94 112.09 1wbx s ASN 42 Ca -0.16 -3.33 -0.33 0.00 0.42 0.00 0.00 52.86 49.46 1wbx s ASN 42 Cb 0.04 -1.69 -0.12 0.00 -1.45 0.00 0.00 41.25 38.03 1wbx s ASN 42 CO 0.62 -0.20 1.78 -2.65 -3.72 0.00 0.00 177.10 172.93 1wbx n PRO 43 N 2.72 2.30 -3.76 0.43 -0.02 -1.25 -4.98 135.00 130.43 1wbx n PRO 43 Ca 0.11 0.84 -0.13 0.00 -2.02 0.00 0.00 63.50 62.30 1wbx n PRO 43 Cb 0.34 -2.67 -0.09 0.00 -0.02 0.00 0.00 33.50 31.07 1wbx n PRO 43 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1wbx s ARG 44 N 2.85 0.68 0.19 -0.52 3.52 -1.26 -5.04 118.95 119.37 1wbx s ARG 44 Ca 0.86 -0.23 -0.31 0.00 -0.13 0.00 0.00 55.73 55.92 1wbx s ARG 44 Cb -0.64 0.30 -0.10 0.00 -1.56 0.00 0.00 34.95 32.94 1wbx s ARG 44 CO 0.44 -0.19 1.54 0.71 -0.81 0.00 0.00 175.30 177.00 1wbx s TYR 45 N -1.47 3.03 0.05 5.12 2.02 -1.26 -4.53 117.35 120.31 1wbx s TYR 45 Ca -0.13 0.72 0.09 0.00 -0.37 0.00 0.00 57.07 57.39 1wbx s TYR 45 Cb -0.05 -3.91 -0.03 0.00 -0.40 0.00 0.00 41.96 37.57 1wbx s TYR 45 CO 0.03 -3.26 -0.24 -1.21 -1.57 0.00 0.00 175.55 169.30 1wbx s GLU 46 N 0.71 1.86 0.45 -0.62 0.41 -0.12 -4.96 118.70 116.42 1wbx s GLU 46 Ca 0.67 -1.09 -0.23 0.00 -0.41 0.00 0.00 54.97 53.92 1wbx s GLU 46 Cb -0.44 -2.03 -0.08 0.00 -1.78 0.00 0.00 34.13 29.81 1wbx s GLU 46 CO 0.35 0.52 1.14 -1.25 -0.49 0.00 0.00 175.26 175.53 1wbx s PRO 47 N -1.30 3.82 0.00 0.39 0.04 -1.26 -1.67 135.00 135.02 1wbx s PRO 47 Ca 0.12 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1wbx s PRO 47 Cb -0.10 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1wbx s PRO 47 CO 0.03 -0.49 0.35 0.54 0.04 0.00 0.00 177.00 177.47 1wbx n ARG 48 N -0.46 0.04 -4.56 4.56 5.12 -0.02 -4.87 116.66 116.48 1wbx n ARG 48 Ca 0.07 -0.41 -0.22 0.00 -1.93 0.00 0.00 57.85 55.36 1wbx n ARG 48 Cb 0.49 -0.71 -0.16 0.00 -1.16 0.00 0.00 32.46 30.92 1wbx n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wbx s ALA 49 N -0.12 1.10 0.27 7.54 0.00 -1.19 -4.63 121.76 124.73 1wbx s ALA 49 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 51.96 51.40 1wbx s ALA 49 Cb 0.00 -0.38 0.43 0.00 0.00 0.00 0.00 23.12 23.18 1wbx s ALA 49 CO 0.00 0.20 1.57 -1.35 0.00 0.00 0.00 175.76 176.18 1wbx h PRO 50 N 6.28 0.00 0.00 0.00 0.11 -1.95 -2.01 132.00 134.43 1wbx h PRO 50 Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1wbx h PRO 50 Cb 1.17 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1wbx h PRO 50 CO 0.48 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.61 1wbx n TRP 51 N -5.59 0.00 1.27 0.65 4.27 -1.26 -1.60 117.44 115.18 1wbx n TRP 51 Ca 0.15 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.88 1wbx n TRP 51 Cb 0.48 -0.43 0.66 0.00 -1.36 0.00 0.00 31.31 30.66 1wbx n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 1wbx n MET 52 N -1.43 0.43 0.22 -2.67 2.81 -0.76 -2.57 117.12 113.15 1wbx n MET 52 Ca 0.03 0.04 0.14 0.00 -1.81 0.00 0.00 57.70 56.10 1wbx n MET 52 Cb 0.11 -1.50 0.75 0.00 -0.71 0.00 0.00 33.22 31.87 1wbx n MET 52 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 1wbx h GLU 53 N 0.00 0.00 0.00 0.03 4.11 -1.48 -2.61 114.58 114.63 1wbx h GLU 53 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1wbx h GLU 53 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1wbx h GLU 53 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 179.01 181.04 1wbx h GLN 54 N 0.00 0.00 -6.21 1.06 4.20 -1.75 -3.43 115.11 108.98 1wbx h GLN 54 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 1wbx h GLN 54 Cb 0.12 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 1wbx h GLN 54 CO 0.00 0.00 0.05 -1.21 -0.67 0.00 0.00 178.83 177.00 1wbx s GLU 55 N -3.25 4.38 0.81 1.46 0.41 -0.98 -5.08 118.70 116.45 1wbx s GLU 55 Ca 0.07 0.87 -0.07 0.00 -0.41 0.00 0.00 54.97 55.43 1wbx s GLU 55 Cb 0.10 -3.32 0.15 0.00 -1.78 0.00 0.00 34.13 29.28 1wbx s GLU 55 CO 0.50 0.41 1.12 0.20 -0.49 0.00 0.00 175.26 177.00 1wbx s GLY 56 N -0.39 1.76 0.54 -1.39 0.00 -1.26 -4.95 107.32 101.63 1wbx s GLY 56 Ca 0.33 -1.43 0.26 0.00 0.00 0.00 0.00 44.72 43.88 1wbx s GLY 56 CO 0.20 -0.81 2.00 -2.55 0.00 0.00 0.00 173.10 171.94 1wbx h PRO 57 N -0.96 0.00 -0.61 2.90 0.11 -1.99 -1.64 132.00 129.81 1wbx h PRO 57 Ca -0.40 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.62 1wbx h PRO 57 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1wbx h PRO 57 CO 0.42 0.00 0.06 0.93 -0.21 0.00 0.00 178.00 179.19 1wbx h GLU 58 N 0.00 1.02 0.15 1.05 3.07 -2.00 -1.74 114.58 116.14 1wbx h GLU 58 Ca 0.23 -0.29 0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1wbx h GLU 58 Cb 0.96 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.74 1wbx h GLU 58 CO -0.00 0.97 -0.17 -0.92 -1.40 0.00 0.00 179.01 177.49 1wbx h TYR 59 N 0.95 -0.44 -0.20 4.33 5.03 -1.67 -2.35 116.97 122.63 1wbx h TYR 59 Ca 0.18 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.41 1wbx h TYR 59 Cb 0.47 0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.91 1wbx h TYR 59 CO 0.03 -0.26 -0.25 -1.49 -1.32 0.00 0.00 178.16 174.88 1wbx h TRP 60 N -0.36 0.40 -0.05 -3.82 4.06 -1.51 -1.64 115.95 113.03 1wbx h TRP 60 Ca 0.01 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 60.87 1wbx h TRP 60 Cb 0.35 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 28.41 1wbx h TRP 60 CO -0.15 0.58 -0.00 1.49 -3.56 0.00 0.00 178.44 176.80 1wbx h GLU 61 N 0.32 0.09 -0.52 0.49 4.57 -1.31 -1.00 114.58 117.23 1wbx h GLU 61 Ca 0.05 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1wbx h GLU 61 Cb 0.61 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 1wbx h GLU 61 CO 0.04 0.40 0.15 -0.09 -1.18 0.00 0.00 179.01 178.33 1wbx h ARG 62 N -0.22 0.82 -0.22 1.92 2.43 -1.19 -1.31 114.38 116.61 1wbx h ARG 62 Ca 0.01 -0.19 -0.19 0.00 -0.81 0.00 0.00 59.98 58.81 1wbx h ARG 62 Cb 0.36 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1wbx h ARG 62 CO 0.00 0.77 -0.62 0.93 -1.51 0.00 0.00 179.97 179.55 1wbx h GLU 63 N 0.72 0.75 -0.56 0.20 4.39 -1.34 -2.29 114.58 116.45 1wbx h GLU 63 Ca 0.17 -0.52 0.07 0.00 0.34 0.00 0.00 59.36 59.42 1wbx h GLU 63 Cb 0.30 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.97 1wbx h GLU 63 CO -0.00 1.14 0.24 1.15 -1.16 0.00 0.00 179.01 180.38 1wbx h THR 64 N 0.56 0.87 -0.56 1.13 2.02 -1.09 -1.51 112.91 114.33 1wbx h THR 64 Ca -0.01 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 1wbx h THR 64 Cb 1.21 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1wbx h THR 64 CO 0.13 0.08 0.19 1.56 0.37 0.00 0.00 175.52 177.85 1wbx h GLN 65 N 0.46 0.82 -0.20 6.66 1.08 -1.01 -2.78 115.11 120.15 1wbx h GLN 65 Ca 0.26 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1wbx h GLN 65 Cb 0.25 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1wbx h GLN 65 CO -0.23 0.70 0.11 0.87 -0.95 0.00 0.00 178.83 179.33 1wbx h LYS 66 N 0.81 0.27 -0.74 1.46 1.57 -1.00 -2.07 116.57 116.87 1wbx h LYS 66 Ca 0.19 -0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.05 1wbx h LYS 66 Cb 0.21 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.39 1wbx h LYS 66 CO -0.01 0.27 0.34 0.00 -0.57 0.00 0.00 179.45 179.48 1wbx h ALA 67 N 0.99 1.05 -0.32 3.86 0.00 -1.14 -0.24 119.26 123.47 1wbx h ALA 67 Ca 0.07 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1wbx h ALA 67 Cb 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1wbx h ALA 67 CO -0.01 -0.12 -0.16 0.87 0.00 0.00 0.00 179.25 179.82 1wbx h LYS 68 N 0.53 0.56 -0.45 0.00 1.79 -1.25 0.33 116.57 118.09 1wbx h LYS 68 Ca 0.39 -0.18 0.01 0.00 -2.18 0.00 0.00 60.65 58.68 1wbx h LYS 68 Cb 0.51 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 1wbx h LYS 68 CO -0.34 0.71 0.29 0.78 -1.08 0.00 0.00 179.45 179.81 1wbx h GLY 69 N 0.97 0.64 0.95 3.86 0.00 -0.66 -2.80 103.07 106.03 1wbx h GLY 69 Ca 0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1wbx h GLY 69 CO 0.04 0.22 0.11 1.46 0.00 0.00 0.00 176.54 178.37 1wbx h GLN 70 N 0.59 0.71 -0.84 4.80 1.08 -0.23 -1.66 115.11 119.57 1wbx h GLN 70 Ca 0.17 -0.17 0.18 0.00 -1.45 0.00 0.00 58.65 57.38 1wbx h GLN 70 Cb -0.05 -0.10 -0.11 0.00 -0.05 0.00 0.00 27.48 27.18 1wbx h GLN 70 CO -0.05 0.71 0.35 1.49 -0.95 0.00 0.00 178.83 180.38 1wbx h GLU 71 N 0.59 0.42 -0.40 1.46 4.81 -0.91 0.11 114.58 120.66 1wbx h GLU 71 Ca 0.14 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.19 1wbx h GLU 71 Cb 0.31 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1wbx h GLU 71 CO 0.00 0.28 -0.34 1.96 -0.73 0.00 0.00 179.01 180.18 1wbx h GLN 72 N 0.44 0.93 -0.65 1.92 1.08 -1.14 -0.89 115.11 116.79 1wbx h GLN 72 Ca 0.49 -0.46 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1wbx h GLN 72 Cb 0.84 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.24 1wbx h GLN 72 CO -0.47 1.12 0.43 2.35 -0.95 0.00 0.00 178.83 181.31 1wbx h TRP 73 N 0.77 0.80 -0.26 2.96 7.01 -0.30 -1.63 115.95 125.32 1wbx h TRP 73 Ca 0.07 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 60.98 1wbx h TRP 73 Cb 0.93 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.71 1wbx h TRP 73 CO 0.06 0.50 -0.30 0.74 -2.79 0.00 0.00 178.44 176.64 1wbx h PHE 74 N 0.86 0.60 -0.12 2.65 -1.00 -0.81 -1.59 116.94 117.53 1wbx h PHE 74 Ca 0.24 -0.14 0.03 0.00 2.81 0.00 0.00 57.97 60.91 1wbx h PHE 74 Cb -0.08 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.30 1wbx h PHE 74 CO -0.03 0.77 -0.08 -0.09 -1.61 0.00 0.00 178.31 177.27 1wbx h ARG 75 N 0.45 -0.08 -0.30 1.51 2.43 -0.68 -0.19 114.38 117.53 1wbx h ARG 75 Ca 0.06 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 1wbx h ARG 75 Cb 0.76 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1wbx h ARG 75 CO 0.06 -0.05 -0.19 0.28 -1.51 0.00 0.00 179.97 178.56 1wbx h VAL 76 N -0.08 1.30 -0.86 0.20 2.07 -1.23 -2.69 116.25 114.95 1wbx h VAL 76 Ca 0.08 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 1wbx h VAL 76 Cb 0.19 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1wbx h VAL 76 CO -0.17 0.42 0.52 0.28 0.02 0.00 0.00 177.57 178.64 1wbx h SER 77 N 0.42 1.03 -0.71 0.57 0.02 -1.24 -1.67 113.55 111.97 1wbx h SER 77 Ca 0.06 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1wbx h SER 77 Cb 0.74 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 1wbx h SER 77 CO 0.05 0.79 0.44 -0.07 -1.14 0.00 0.00 176.83 176.91 1wbx h LEU 78 N 1.18 0.73 -0.61 5.07 3.38 -0.90 -0.98 115.31 123.19 1wbx h LEU 78 Ca 0.31 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1wbx h LEU 78 Cb -0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1wbx h LEU 78 CO -0.06 0.51 0.29 -0.09 0.09 0.00 0.00 178.44 179.18 1wbx h ARG 79 N 0.87 0.87 -0.74 1.13 2.43 -1.11 -2.06 114.38 115.78 1wbx h ARG 79 Ca 0.28 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1wbx h ARG 79 Cb 0.01 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 1wbx h ARG 79 CO -0.10 0.71 0.46 -0.91 -1.51 0.00 0.00 179.97 178.62 1wbx h ASN 80 N 0.83 0.88 -0.34 -3.80 2.35 -0.94 -2.70 115.58 111.85 1wbx h ASN 80 Ca 0.21 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1wbx h ASN 80 Cb 0.13 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1wbx h ASN 80 CO -0.03 0.66 -0.05 -0.07 -1.65 0.00 0.00 177.43 176.30 1wbx h LEU 81 N 1.01 0.71 -0.95 1.61 3.38 -0.96 -1.54 115.31 118.57 1wbx h LEU 81 Ca 0.27 -0.18 0.16 0.00 0.09 0.00 0.00 57.88 58.22 1wbx h LEU 81 Cb -0.06 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 40.40 1wbx h LEU 81 CO -0.05 0.81 0.55 0.25 0.09 0.00 0.00 178.44 180.09 1wbx h LEU 82 N 0.68 0.72 -0.05 1.67 5.85 -1.05 -1.84 115.31 121.29 1wbx h LEU 82 Ca 0.13 0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.78 1wbx h LEU 82 Cb 0.49 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.48 1wbx h LEU 82 CO 0.03 0.30 -0.55 1.23 -0.34 0.00 0.00 178.44 179.10 1wbx h GLY 83 N 0.76 0.51 1.06 3.75 0.00 -1.19 0.37 103.07 108.33 1wbx h GLY 83 Ca 0.52 -0.80 0.07 0.00 0.00 0.00 0.00 47.33 47.12 1wbx h GLY 83 CO -0.35 0.71 0.44 -0.97 0.00 0.00 0.00 176.54 176.37 1wbx h TYR 84 N 0.00 0.66 -0.48 5.60 0.05 -1.07 -2.09 116.97 119.64 1wbx h TYR 84 Ca -0.05 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1wbx h TYR 84 Cb 1.23 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.75 1wbx h TYR 84 CO 0.13 0.34 0.00 0.66 -1.05 0.00 0.00 178.16 178.24 1wbx n TYR 85 N -4.48 0.64 -3.84 4.88 4.01 -0.72 -4.90 117.16 112.76 1wbx n TYR 85 Ca 0.10 -0.35 -0.25 0.00 -0.16 0.00 0.00 57.90 57.24 1wbx n TYR 85 Cb 0.26 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.31 1wbx n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1wbx n ASN 86 N 1.40 -2.12 -4.83 7.72 5.15 -0.79 -4.93 115.26 116.85 1wbx n ASN 86 Ca 0.20 -0.85 -0.37 0.00 -0.60 0.00 0.00 54.58 52.95 1wbx n ASN 86 Cb 0.58 -3.75 -0.06 0.00 -0.53 0.00 0.00 39.78 36.01 1wbx n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1wbx s GLN 87 N -6.32 3.73 0.34 1.20 -0.21 0.06 -5.05 119.66 113.42 1wbx s GLN 87 Ca 0.23 -0.02 -0.27 0.00 0.02 0.00 0.00 55.36 55.32 1wbx s GLN 87 Cb -0.11 -3.26 -0.09 0.00 1.00 0.00 0.00 33.01 30.55 1wbx s GLN 87 CO 0.84 0.63 1.10 -1.12 -2.12 0.00 0.00 175.29 174.62 1wbx s SER 88 N -0.66 6.96 0.68 5.90 0.01 -1.26 -4.74 113.70 120.58 1wbx s SER 88 Ca 0.16 2.22 -0.10 0.00 1.31 0.00 0.00 55.95 59.54 1wbx s SER 88 Cb -0.13 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.51 1wbx s SER 88 CO 0.05 -0.36 1.04 0.00 0.41 0.00 0.00 173.24 174.38 1wbx s ALA 89 N -1.37 3.01 0.00 1.44 0.00 -1.26 -4.32 121.76 119.26 1wbx s ALA 89 Ca 0.51 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1wbx s ALA 89 Cb -0.29 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1wbx s ALA 89 CO 0.37 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1wbx n GLY 90 N -2.90 0.88 3.71 0.00 0.00 -1.26 -5.09 105.19 100.53 1wbx n GLY 90 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1wbx n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wbx s GLY 91 N -1.92 2.43 0.03 -0.02 0.00 -1.26 -4.88 107.32 101.69 1wbx s GLY 91 Ca 0.00 -2.06 -0.04 0.00 0.00 0.00 0.00 44.72 42.62 1wbx s GLY 91 CO 0.00 -1.99 0.24 -0.45 0.00 0.00 0.00 173.10 170.91 1wbx s SER 92 N -3.85 6.43 0.07 1.64 0.15 -1.26 -4.54 113.70 112.34 1wbx s SER 92 Ca 0.37 0.44 0.01 0.00 0.70 0.00 0.00 55.95 57.48 1wbx s SER 92 Cb 0.06 -2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.29 1wbx s SER 92 CO 0.20 0.22 -0.06 -1.00 1.20 0.00 0.00 173.24 173.79 1wbx s HIS 93 N -1.39 0.74 0.01 3.44 4.02 -1.26 -4.96 115.29 115.90 1wbx s HIS 93 Ca 0.30 -0.78 0.05 0.00 1.02 0.00 0.00 55.06 55.65 1wbx s HIS 93 Cb -0.13 -0.45 -0.02 0.00 -1.02 0.00 0.00 32.58 30.97 1wbx s HIS 93 CO 0.20 -0.16 -0.16 0.95 1.02 0.00 0.00 174.74 176.59 1wbx s THR 94 N -2.85 1.29 -0.07 1.30 -4.23 -1.26 -1.58 115.64 108.23 1wbx s THR 94 Ca 0.03 -0.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1wbx s THR 94 Cb 0.00 -1.10 0.01 0.00 1.34 0.00 0.00 72.50 72.75 1wbx s THR 94 CO -0.04 0.23 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.92 1wbx s LEU 95 N -0.72 1.68 0.10 4.79 2.96 -0.44 -1.10 118.68 125.96 1wbx s LEU 95 Ca 0.05 -0.34 0.07 0.00 -0.22 0.00 0.00 54.13 53.69 1wbx s LEU 95 Cb -0.07 -0.91 -0.03 0.00 0.50 0.00 0.00 46.19 45.68 1wbx s LEU 95 CO 0.00 0.04 -0.17 -1.10 -1.32 0.00 0.00 176.35 173.80 1wbx s GLN 96 N 0.69 1.02 -0.01 1.98 -0.21 -0.02 -1.04 119.66 122.07 1wbx s GLN 96 Ca -0.14 -1.13 0.01 0.00 0.02 0.00 0.00 55.36 54.12 1wbx s GLN 96 Cb -0.16 -1.11 0.00 0.00 1.00 0.00 0.00 33.01 32.74 1wbx s GLN 96 CO 0.04 0.24 -0.02 -1.14 -2.12 0.00 0.00 175.29 172.29 1wbx s GLN 97 N -2.08 0.24 -0.03 2.91 0.74 -0.25 -0.83 119.66 120.35 1wbx s GLN 97 Ca 0.05 -0.07 0.06 0.00 0.05 0.00 0.00 55.36 55.45 1wbx s GLN 97 Cb -0.09 -0.27 -0.01 0.00 1.10 0.00 0.00 33.01 33.74 1wbx s GLN 97 CO 0.04 0.03 -0.23 -1.64 -0.55 0.00 0.00 175.29 172.93 1wbx s MET 98 N 0.11 2.10 0.04 1.67 -1.94 -0.34 -0.47 119.30 120.47 1wbx s MET 98 Ca -0.01 -0.83 -0.18 0.00 -1.71 0.00 0.00 55.69 52.96 1wbx s MET 98 Cb -0.03 -1.91 0.04 0.00 2.01 0.00 0.00 34.83 34.93 1wbx s MET 98 CO -0.00 0.43 0.41 -1.54 -0.01 0.00 0.00 175.02 174.30 1wbx s SER 99 N -0.35 -0.28 0.00 3.03 1.04 -0.56 -0.89 113.70 115.69 1wbx s SER 99 Ca 0.03 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1wbx s SER 99 Cb -0.11 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1wbx s SER 99 CO 0.01 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1wbx n GLY 100 N 0.58 0.12 3.23 7.32 0.00 -0.85 -0.53 105.19 115.06 1wbx n GLY 100 Ca -0.19 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1wbx n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbx s ASP 102 N -1.04 4.74 -0.06 0.00 1.01 -0.27 -1.18 116.67 119.86 1wbx s ASP 102 Ca -0.11 -0.04 -0.03 0.00 0.71 0.00 0.00 52.55 53.08 1wbx s ASP 102 Cb -0.05 -1.37 -0.04 0.00 1.01 0.00 0.00 42.92 42.47 1wbx s ASP 102 CO 0.03 0.31 0.11 -0.76 0.21 0.00 0.00 175.17 175.07 1wbx s LEU 103 N -0.49 4.10 0.00 1.23 1.43 0.76 -0.04 118.68 125.66 1wbx s LEU 103 Ca 0.08 0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.44 1wbx s LEU 103 Cb -0.12 -2.20 0.05 0.00 0.03 0.00 0.00 46.19 43.95 1wbx s LEU 103 CO 0.02 0.33 0.31 0.61 0.23 0.00 0.00 176.35 177.85 1wbx n GLY 104 N 1.56 -0.50 0.26 -3.19 0.00 -0.85 -2.68 105.19 99.79 1wbx n GLY 104 Ca -0.16 -1.79 0.13 0.00 0.00 0.00 0.00 46.02 44.21 1wbx n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wbx h SER 105 N -0.34 0.00 0.02 1.61 4.64 -1.96 -1.87 113.55 115.64 1wbx h SER 105 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1wbx h SER 105 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1wbx h SER 105 CO 0.08 0.12 -0.00 -0.90 -0.87 0.00 0.00 176.83 175.26 1wbx n ASP 106 N -3.35 0.51 0.00 4.97 5.75 -1.26 -4.91 116.55 118.26 1wbx n ASP 106 Ca -0.00 -1.14 0.00 0.00 -0.01 0.00 0.00 54.79 53.64 1wbx n ASP 106 Cb 0.32 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1wbx n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1wbx n TRP 107 N -0.62 0.00 -2.78 2.11 7.02 -0.70 -5.00 117.44 117.47 1wbx n TRP 107 Ca 0.22 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.44 1wbx n TRP 107 Cb 0.20 -0.49 0.00 0.00 -2.42 0.00 0.00 31.31 28.61 1wbx n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1wbx s ARG 108 N -0.38 3.37 -0.21 -0.99 0.52 -1.26 -4.76 118.95 115.25 1wbx s ARG 108 Ca 0.00 -0.02 -0.40 0.00 -0.52 0.00 0.00 55.73 54.79 1wbx s ARG 108 Cb 0.00 -2.44 -0.17 0.00 0.52 0.00 0.00 34.95 32.87 1wbx s ARG 108 CO 0.00 -0.23 1.61 -0.11 0.02 0.00 0.00 175.30 176.59 1wbx n LEU 109 N -2.20 1.99 -0.09 2.53 7.94 -1.26 -2.00 117.00 123.91 1wbx n LEU 109 Ca 0.00 1.10 -0.22 0.00 -1.11 0.00 0.00 56.01 55.78 1wbx n LEU 109 Cb 0.56 -1.11 -0.12 0.00 0.53 0.00 0.00 43.42 43.28 1wbx n LEU 109 CO 0.52 -0.68 -1.09 -0.11 -1.11 0.00 0.00 177.39 174.92 1wbx n LEU 110 N 4.41 2.49 -3.57 -1.96 0.00 0.94 -4.80 117.00 114.51 1wbx n LEU 110 Ca 0.25 0.15 -0.16 0.00 0.00 0.00 0.00 56.01 56.25 1wbx n LEU 110 Cb 0.12 -0.96 -0.06 0.00 0.00 0.00 0.00 43.42 42.52 1wbx n LEU 110 CO 0.77 0.73 0.43 -0.60 0.00 0.00 0.00 177.39 178.72 1wbx s ARG 111 N -2.50 0.97 0.10 1.96 3.52 -1.16 -5.00 118.95 116.85 1wbx s ARG 111 Ca -0.31 0.55 0.05 0.00 -0.13 0.00 0.00 55.73 55.88 1wbx s ARG 111 Cb 0.09 0.46 -0.04 0.00 -1.56 0.00 0.00 34.95 33.90 1wbx s ARG 111 CO 0.62 -0.24 0.03 0.20 -0.81 0.00 0.00 175.30 175.10 1wbx s GLY 112 N -0.57 1.90 -0.02 8.12 0.00 -1.26 -1.12 107.32 114.37 1wbx s GLY 112 Ca -0.07 -1.13 0.03 0.00 0.00 0.00 0.00 44.72 43.56 1wbx s GLY 112 CO 0.06 -1.12 -0.12 -0.19 0.00 0.00 0.00 173.10 171.74 1wbx s TYR 113 N -1.41 1.13 -0.23 1.90 1.51 0.45 -4.83 117.35 115.88 1wbx s TYR 113 Ca 0.27 -0.25 -0.05 0.00 -1.01 0.00 0.00 57.07 56.04 1wbx s TYR 113 Cb -0.11 -0.75 0.12 0.00 -0.11 0.00 0.00 41.96 41.10 1wbx s TYR 113 CO 0.19 -0.06 0.42 -1.17 -1.11 0.00 0.00 175.55 173.82 1wbx s LEU 114 N -0.11 -0.70 0.00 -1.29 2.96 -1.26 -2.01 118.68 116.28 1wbx s LEU 114 Ca 0.02 0.64 0.01 0.00 -0.22 0.00 0.00 54.13 54.58 1wbx s LEU 114 Cb -0.07 1.31 -0.00 0.00 0.50 0.00 0.00 46.19 47.93 1wbx s LEU 114 CO 0.00 -0.26 -0.03 -1.10 -1.32 0.00 0.00 176.35 173.63 1wbx s GLN 115 N 2.60 0.27 0.06 1.98 -0.21 -0.07 -0.66 119.66 123.63 1wbx s GLN 115 Ca 0.06 -0.17 0.07 0.00 0.02 0.00 0.00 55.36 55.34 1wbx s GLN 115 Cb -0.14 -0.23 -0.03 0.00 1.00 0.00 0.00 33.01 33.62 1wbx s GLN 115 CO -0.15 0.06 -0.20 -0.06 -2.12 0.00 0.00 175.29 172.83 1wbx s PHE 116 N -0.21 1.71 -0.01 0.91 0.40 0.11 -1.20 117.98 119.68 1wbx s PHE 116 Ca -0.00 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 1wbx s PHE 116 Cb -0.02 -1.00 -0.01 0.00 0.51 0.00 0.00 43.02 42.51 1wbx s PHE 116 CO -0.00 0.11 -0.11 0.00 0.70 0.00 0.00 175.22 175.92 1wbx s ALA 117 N -0.90 0.91 -0.11 5.36 0.00 -0.01 -0.83 121.76 126.17 1wbx s ALA 117 Ca 0.06 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.58 1wbx s ALA 117 Cb -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1wbx s ALA 117 CO 0.02 0.22 -0.22 -0.47 0.00 0.00 0.00 175.76 175.31 1wbx s TYR 118 N -0.25 2.51 -1.46 0.00 5.04 0.10 -0.84 117.35 122.46 1wbx s TYR 118 Ca 0.04 -1.11 -0.07 0.00 -2.44 0.00 0.00 57.07 53.49 1wbx s TYR 118 Cb -0.04 -1.69 0.03 0.00 0.35 0.00 0.00 41.96 40.60 1wbx s TYR 118 CO -0.00 -0.47 0.65 0.39 -1.34 0.00 0.00 175.55 174.77 1wbx n GLU 119 N 3.74 -4.77 -1.05 4.97 -0.58 -0.26 -1.82 120.64 120.87 1wbx n GLU 119 Ca -0.20 0.75 -0.02 0.00 -0.42 0.00 0.00 57.16 57.28 1wbx n GLU 119 Cb 0.52 -5.59 -0.01 0.00 -0.57 0.00 0.00 31.44 25.80 1wbx n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wbx n GLY 120 N -1.48 0.48 3.30 0.62 0.00 -1.26 -5.01 105.19 101.85 1wbx n GLY 120 Ca -0.06 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1wbx n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wbx s ARG 121 N -1.12 1.81 0.07 1.61 0.52 -0.76 -5.07 118.95 116.01 1wbx s ARG 121 Ca 0.00 -0.98 -0.37 0.00 -0.52 0.00 0.00 55.73 53.86 1wbx s ARG 121 Cb 0.00 -1.87 -0.18 0.00 0.52 0.00 0.00 34.95 33.41 1wbx s ARG 121 CO 0.00 0.50 1.08 -0.25 0.02 0.00 0.00 175.30 176.65 1wbx n ASP 122 N 2.10 0.41 0.00 0.23 8.00 -1.26 -0.72 116.55 125.31 1wbx n ASP 122 Ca -0.16 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.48 1wbx n ASP 122 Cb 0.52 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 1wbx n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wbx n TYR 123 N 1.54 -0.01 -3.87 1.24 9.36 -0.01 -4.70 117.16 120.72 1wbx n TYR 123 Ca 0.19 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.29 1wbx n TYR 123 Cb 0.15 0.05 -0.12 0.00 -0.63 0.00 0.00 39.34 38.80 1wbx n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1wbx s ILE 124 N -1.03 0.04 0.03 2.97 2.07 -1.17 -1.14 121.20 122.97 1wbx s ILE 124 Ca 0.00 -0.37 0.02 0.00 -1.41 0.00 0.00 60.65 58.90 1wbx s ILE 124 Cb 0.00 -0.28 -0.02 0.00 0.13 0.00 0.00 42.46 42.29 1wbx s ILE 124 CO 0.00 -0.20 -0.08 0.00 -1.91 0.00 0.00 174.94 172.75 1wbx s ALA 125 N -0.66 0.64 0.09 1.50 0.00 -0.59 0.05 121.76 122.80 1wbx s ALA 125 Ca -0.07 -0.62 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 1wbx s ALA 125 Cb -0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.97 1wbx s ALA 125 CO 0.00 0.06 1.18 -1.17 0.00 0.00 0.00 175.76 175.84 1wbx s LEU 126 N -1.08 4.40 0.80 0.00 2.96 0.16 -0.11 118.68 125.81 1wbx s LEU 126 Ca -0.04 2.05 -0.11 0.00 -0.22 0.00 0.00 54.13 55.80 1wbx s LEU 126 Cb -0.07 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.10 1wbx s LEU 126 CO 0.00 -0.42 1.09 0.20 -1.32 0.00 0.00 176.35 175.90 1wbx s ASN 127 N 0.78 4.37 0.59 3.68 0.02 0.83 -4.59 114.94 120.63 1wbx s ASN 127 Ca 0.57 1.50 0.32 0.00 -1.02 0.00 0.00 52.86 54.22 1wbx s ASN 127 Cb -0.30 -2.24 1.86 0.00 0.02 0.00 0.00 41.25 40.60 1wbx s ASN 127 CO 0.31 -2.07 2.24 -0.08 0.02 0.00 0.00 177.10 177.52 1wbx h GLU 128 N -1.16 0.00 0.00 -0.60 4.81 -1.88 0.12 114.58 115.88 1wbx h GLU 128 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1wbx h GLU 128 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1wbx h GLU 128 CO 0.56 0.02 0.00 -0.40 -0.73 0.00 0.00 179.01 178.46 1wbx n ASP 129 N -3.67 0.35 -2.32 1.04 5.68 -1.26 -4.80 116.55 111.58 1wbx n ASP 129 Ca -0.03 0.60 -0.20 0.00 -0.50 0.00 0.00 54.79 54.66 1wbx n ASP 129 Cb 0.11 -0.67 -0.02 0.00 -1.14 0.00 0.00 41.12 39.40 1wbx n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1wbx n LEU 130 N -1.91 -1.86 0.00 -2.12 4.77 0.43 -4.80 117.00 111.51 1wbx n LEU 130 Ca 0.02 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1wbx n LEU 130 Cb 0.17 -2.89 0.00 0.00 -2.33 0.00 0.00 43.42 38.36 1wbx n LEU 130 CO 0.15 -0.30 -0.15 0.29 -1.33 0.00 0.00 177.39 176.05 1wbx n LYS 131 N -2.94 0.11 -4.16 3.23 5.02 -1.26 -4.55 118.16 113.62 1wbx n LYS 131 Ca -0.24 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.83 1wbx n LYS 131 Cb 0.68 -0.65 -0.06 0.00 -0.02 0.00 0.00 35.03 34.99 1wbx n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1wbx s THR 132 N -1.29 3.50 0.06 -0.18 -4.23 -1.26 -4.83 115.64 107.40 1wbx s THR 132 Ca 0.00 -1.70 0.07 0.00 -1.18 0.00 0.00 61.69 58.88 1wbx s THR 132 Cb 0.00 -3.03 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 1wbx s THR 132 CO 0.00 -0.29 -0.17 0.26 -0.54 0.00 0.00 174.62 173.89 1wbx s TRP 133 N -2.32 2.59 -0.31 3.99 0.52 -1.26 -0.12 118.94 122.03 1wbx s TRP 133 Ca 0.35 -0.23 -0.04 0.00 0.02 0.00 0.00 56.10 56.19 1wbx s TRP 133 Cb -0.05 -1.45 0.04 0.00 -1.15 0.00 0.00 33.47 30.86 1wbx s TRP 133 CO 0.22 0.30 0.05 0.99 0.02 0.00 0.00 176.95 178.53 1wbx s THR 134 N -1.00 3.41 -0.17 2.01 2.01 0.85 -4.89 115.64 117.87 1wbx s THR 134 Ca 0.16 -1.17 -0.13 0.00 0.31 0.00 0.00 61.69 60.86 1wbx s THR 134 Cb -0.11 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 1wbx s THR 134 CO 0.07 -0.09 0.26 0.00 -0.69 0.00 0.00 174.62 174.17 1wbx s ALA 135 N 1.35 3.62 0.10 7.40 0.00 -1.26 -1.54 121.76 131.43 1wbx s ALA 135 Ca -0.02 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.49 1wbx s ALA 135 Cb -0.19 -2.33 -0.22 0.00 0.00 0.00 0.00 23.12 20.38 1wbx s ALA 135 CO 0.01 0.13 1.20 0.00 0.00 0.00 0.00 175.76 177.10 1wbx h ALA 136 N 6.60 0.36 -3.53 0.00 0.00 -1.41 -3.47 119.26 117.80 1wbx h ALA 136 Ca -0.42 -0.96 -0.16 0.00 0.00 0.00 0.00 54.91 53.38 1wbx h ALA 136 Cb 1.16 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1wbx h ALA 136 CO 0.75 1.25 -0.14 -0.40 0.00 0.00 0.00 179.25 180.71 1wbx n ASP 137 N -3.35 -0.38 -0.11 0.00 5.68 -1.26 -5.04 116.55 112.09 1wbx n ASP 137 Ca -0.03 -1.83 -0.09 0.00 -0.50 0.00 0.00 54.79 52.34 1wbx n ASP 137 Cb 0.96 0.79 -0.02 0.00 -1.14 0.00 0.00 41.12 41.72 1wbx n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1wbx h MET 138 N 0.00 0.48 -0.83 0.11 1.85 -1.98 -2.53 114.93 112.03 1wbx h MET 138 Ca -0.10 -0.07 0.05 0.00 -0.61 0.00 0.00 59.70 58.98 1wbx h MET 138 Cb 0.47 -0.09 -0.06 0.00 0.43 0.00 0.00 31.60 32.36 1wbx h MET 138 CO 0.14 0.43 0.52 0.00 -0.40 0.00 0.00 176.91 177.59 1wbx h ALA 139 N 1.03 1.12 0.00 0.39 0.00 -1.98 -1.31 119.26 118.51 1wbx h ALA 139 Ca 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1wbx h ALA 139 Cb 0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1wbx h ALA 139 CO -0.02 0.28 -0.09 0.00 0.00 0.00 0.00 179.25 179.43 1wbx h ALA 140 N 1.38 1.08 0.00 0.00 0.00 -1.79 -2.01 119.26 117.92 1wbx h ALA 140 Ca 0.35 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1wbx h ALA 140 Cb 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1wbx h ALA 140 CO -0.15 0.11 -0.38 1.96 0.00 0.00 0.00 179.25 180.79 1wbx h GLN 141 N 0.00 0.00 0.20 0.00 1.08 -0.81 -0.20 115.11 115.37 1wbx h GLN 141 Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1wbx h GLN 141 Cb 0.46 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1wbx h GLN 141 CO 0.01 0.38 -0.11 0.82 -0.95 0.00 0.00 178.83 178.98 1wbx h ILE 142 N 0.00 0.78 -0.45 2.54 2.04 -1.35 -0.81 117.51 120.26 1wbx h ILE 142 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1wbx h ILE 142 Cb 0.68 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1wbx h ILE 142 CO 0.05 0.00 0.28 0.74 0.00 0.00 0.00 178.15 179.22 1wbx h THR 143 N -0.28 1.08 -0.29 -0.27 2.02 -1.49 -0.78 112.91 112.90 1wbx h THR 143 Ca -0.02 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.00 1wbx h THR 143 Cb 0.23 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 1wbx h THR 143 CO 0.03 0.11 0.04 -0.09 0.37 0.00 0.00 175.52 175.98 1wbx h ARG 144 N 0.58 0.13 -0.67 6.66 2.43 -0.80 0.67 114.38 123.37 1wbx h ARG 144 Ca 0.17 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1wbx h ARG 144 Cb -0.03 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1wbx h ARG 144 CO -0.06 0.09 0.25 0.00 -1.51 0.00 0.00 179.97 178.74 1wbx h ARG 145 N 0.14 1.02 -0.66 0.20 3.08 -1.02 0.78 114.38 117.91 1wbx h ARG 145 Ca 0.13 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1wbx h ARG 145 Cb 0.15 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1wbx h ARG 145 CO -0.19 0.86 0.40 -0.22 -1.07 0.00 0.00 179.97 179.75 1wbx h LYS 146 N 0.96 0.89 -0.07 0.04 3.64 -0.67 0.39 116.57 121.76 1wbx h LYS 146 Ca 0.22 -0.08 -0.19 0.00 -1.27 0.00 0.00 60.65 59.34 1wbx h LYS 146 Cb 0.23 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1wbx h LYS 146 CO -0.02 0.63 -0.75 -1.49 -2.27 0.00 0.00 179.45 175.55 1wbx h TRP 147 N 0.89 0.54 0.24 1.91 4.06 -0.62 -0.81 115.95 122.16 1wbx h TRP 147 Ca 0.24 -0.25 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 1wbx h TRP 147 Cb -0.04 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.04 1wbx h TRP 147 CO -0.02 1.01 -0.11 0.93 -3.56 0.00 0.00 178.44 176.69 1wbx h GLU 148 N 0.27 -0.31 -0.79 0.49 5.08 -0.71 0.40 114.58 119.00 1wbx h GLU 148 Ca -0.03 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.52 1wbx h GLU 148 Cb 1.33 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 30.54 1wbx h GLU 148 CO 0.13 -0.15 0.27 0.37 -1.00 0.00 0.00 179.01 178.63 1wbx h GLN 149 N -0.40 0.33 0.00 2.33 5.75 -0.82 -1.75 115.11 120.56 1wbx h GLN 149 Ca -0.03 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1wbx h GLN 149 Cb 0.30 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.78 1wbx h GLN 149 CO 0.05 0.22 -0.31 -1.13 -2.65 0.00 0.00 178.83 175.01 1wbx n SER 150 N -5.09 0.40 -3.26 -0.69 3.41 -0.32 -4.96 113.62 103.11 1wbx n SER 150 Ca 0.17 0.14 -0.19 0.00 -0.26 0.00 0.00 58.87 58.72 1wbx n SER 150 Cb 0.51 -0.11 0.08 0.00 -0.26 0.00 0.00 64.21 64.43 1wbx n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wbx n GLY 151 N 1.45 -0.35 0.28 5.00 0.00 0.03 -4.94 105.19 106.66 1wbx n GLY 151 Ca 0.06 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 1wbx n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbx h ALA 152 N 0.88 1.09 -0.50 4.61 0.00 -1.57 -3.24 119.26 120.53 1wbx h ALA 152 Ca -0.52 -0.28 0.13 0.00 0.00 0.00 0.00 54.91 54.24 1wbx h ALA 152 Cb 1.32 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1wbx h ALA 152 CO 0.48 0.57 0.35 0.00 0.00 0.00 0.00 179.25 180.66 1wbx h ALA 153 N 1.25 2.36 -0.56 0.00 0.00 -1.88 -2.68 119.26 117.75 1wbx h ALA 153 Ca 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1wbx h ALA 153 Cb 0.49 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1wbx h ALA 153 CO 0.03 -0.50 0.14 1.49 0.00 0.00 0.00 179.25 180.40 1wbx h GLU 154 N 0.08 0.90 -0.29 0.00 4.57 -1.83 0.29 114.58 118.29 1wbx h GLU 154 Ca 0.24 -0.22 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1wbx h GLU 154 Cb 0.84 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.28 1wbx h GLU 154 CO -0.02 0.84 0.13 1.25 -1.18 0.00 0.00 179.01 180.03 1wbx h HIS 155 N 0.80 0.23 -0.38 0.92 2.76 -1.69 -1.45 115.15 116.33 1wbx h HIS 155 Ca 0.18 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1wbx h HIS 155 Cb 0.35 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 1wbx h HIS 155 CO 0.02 0.12 0.22 1.88 -1.30 0.00 0.00 177.93 178.88 1wbx h TYR 156 N 0.27 0.52 -0.71 5.26 0.05 -1.50 -2.78 116.97 118.09 1wbx h TYR 156 Ca 0.12 -0.01 0.13 0.00 0.05 0.00 0.00 58.73 59.03 1wbx h TYR 156 Cb 0.06 -0.17 -0.09 0.00 1.01 0.00 0.00 36.73 37.55 1wbx h TYR 156 CO -0.11 0.38 0.26 -0.22 -1.05 0.00 0.00 178.16 177.42 1wbx h LYS 157 N 0.50 0.39 -0.55 4.88 3.64 -0.68 -1.42 116.57 123.33 1wbx h LYS 157 Ca 0.14 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1wbx h LYS 157 Cb 0.03 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1wbx h LYS 157 CO -0.02 0.26 0.20 0.00 -2.27 0.00 0.00 179.45 177.62 1wbx h ALA 158 N 1.52 0.72 -0.23 5.00 0.00 -1.12 -1.34 119.26 123.82 1wbx h ALA 158 Ca 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1wbx h ALA 158 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1wbx h ALA 158 CO -0.39 0.35 0.11 -0.92 0.00 0.00 0.00 179.25 178.40 1wbx h TYR 159 N 0.76 0.33 -0.17 0.00 3.20 -1.21 -2.17 116.97 117.71 1wbx h TYR 159 Ca 0.18 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.92 1wbx h TYR 159 Cb 0.23 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1wbx h TYR 159 CO 0.01 0.32 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.39 1wbx h LEU 160 N 0.24 0.39 0.00 2.82 3.38 -1.01 -0.62 115.31 120.51 1wbx h LEU 160 Ca 0.08 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1wbx h LEU 160 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1wbx h LEU 160 CO -0.01 0.75 -0.39 -0.62 0.09 0.00 0.00 178.44 178.26 1wbx n GLU 161 N -4.03 0.06 0.00 1.13 1.02 -0.53 -4.21 120.64 114.08 1wbx n GLU 161 Ca -0.01 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1wbx n GLU 161 Cb 0.49 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1wbx n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wbx n GLY 162 N 1.46 0.61 0.33 0.62 0.00 -0.82 -4.71 105.19 102.69 1wbx n GLY 162 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 1wbx n GLY 162 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wbx h GLU 163 N 0.00 0.75 -0.45 1.61 3.07 -1.58 -0.57 114.58 117.41 1wbx h GLU 163 Ca 0.00 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1wbx h GLU 163 Cb 0.00 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.72 1wbx h GLU 163 CO 0.00 0.50 0.26 0.00 -1.40 0.00 0.00 179.01 178.37 1wbx h VAL 165 N 0.59 1.31 -0.24 0.00 2.07 -1.61 -1.84 116.25 116.53 1wbx h VAL 165 Ca 0.16 -1.07 0.06 0.00 0.82 0.00 0.00 66.70 66.67 1wbx h VAL 165 Cb 0.02 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 1wbx h VAL 165 CO -0.03 0.31 -0.23 -0.08 0.02 0.00 0.00 177.57 177.57 1wbx h GLU 166 N -0.05 -0.22 -0.07 1.57 4.81 -0.98 -2.11 114.58 117.52 1wbx h GLU 166 Ca 0.03 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 1wbx h GLU 166 Cb 0.51 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1wbx h GLU 166 CO 0.02 -0.15 -0.57 -1.49 -0.73 0.00 0.00 179.01 176.09 1wbx h TRP 167 N -0.23 0.29 -0.48 0.92 4.06 -1.24 -2.52 115.95 116.74 1wbx h TRP 167 Ca 0.14 -0.10 -0.10 0.00 2.06 0.00 0.00 58.89 60.88 1wbx h TRP 167 Cb 0.44 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.53 1wbx h TRP 167 CO -0.38 0.74 -0.12 1.25 -3.56 0.00 0.00 178.44 176.37 1wbx h LEU 168 N 0.17 0.89 -0.67 -4.49 5.85 -1.15 -0.45 115.31 115.46 1wbx h LEU 168 Ca -0.00 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1wbx h LEU 168 Cb 1.05 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1wbx h LEU 168 CO 0.09 1.02 0.42 0.45 -0.34 0.00 0.00 178.44 180.08 1wbx h HIS 169 N 0.80 0.86 -0.14 1.25 3.86 -1.29 -1.38 115.15 119.10 1wbx h HIS 169 Ca 0.13 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1wbx h HIS 169 Cb 0.64 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1wbx h HIS 169 CO 0.04 0.56 0.07 -0.09 0.86 0.00 0.00 177.93 179.37 1wbx h ARG 170 N 0.91 0.21 -0.75 2.45 2.43 -1.11 -1.79 114.38 116.72 1wbx h ARG 170 Ca 0.24 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1wbx h ARG 170 Cb -0.07 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1wbx h ARG 170 CO -0.05 0.26 0.26 1.88 -1.51 0.00 0.00 179.97 180.81 1wbx h TYR 171 N 0.11 1.19 -0.68 2.20 0.05 -0.97 0.99 116.97 119.87 1wbx h TYR 171 Ca 0.05 -0.11 -0.02 0.00 0.05 0.00 0.00 58.73 58.70 1wbx h TYR 171 Cb 0.12 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.48 1wbx h TYR 171 CO -0.03 0.93 0.36 -0.07 -1.05 0.00 0.00 178.16 178.30 1wbx h LEU 172 N 1.11 0.85 0.06 3.88 3.38 -1.16 0.59 115.31 124.02 1wbx h LEU 172 Ca 0.25 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wbx h LEU 172 Cb 0.28 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1wbx h LEU 172 CO -0.01 0.71 -0.03 0.50 0.09 0.00 0.00 178.44 179.70 1wbx h LYS 173 N 0.93 -0.08 -0.67 1.13 3.64 -0.91 -0.29 116.57 120.32 1wbx h LYS 173 Ca 0.24 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.54 1wbx h LYS 173 Cb 0.05 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1wbx h LYS 173 CO -0.04 0.20 0.11 -0.91 -2.27 0.00 0.00 179.45 176.55 1wbx h ASN 174 N -0.36 1.05 -0.45 4.20 4.21 -0.68 -3.13 115.58 120.42 1wbx h ASN 174 Ca -0.01 -0.25 0.00 0.00 1.21 0.00 0.00 56.30 57.26 1wbx h ASN 174 Cb 0.31 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 1wbx h ASN 174 CO 0.01 1.04 0.00 0.61 -1.29 0.00 0.00 177.43 177.80 1wbx n GLY 175 N -0.61 1.45 0.31 2.83 0.00 0.20 -4.67 105.19 104.71 1wbx n GLY 175 Ca 0.04 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.44 1wbx n GLY 175 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1wbx h ASN 176 N 3.45 -0.92 0.53 1.61 -0.73 -0.99 -0.61 115.58 117.93 1wbx h ASN 176 Ca 0.00 0.23 -0.01 0.00 1.87 0.00 0.00 56.30 58.40 1wbx h ASN 176 Cb 0.78 0.53 -0.00 0.00 0.27 0.00 0.00 38.32 39.89 1wbx h ASN 176 CO 0.00 -0.27 -0.04 0.00 -0.37 0.00 0.00 177.43 176.75 1wbx h ALA 177 N 1.47 1.07 0.00 1.57 0.00 -1.86 -2.00 119.26 119.51 1wbx h ALA 177 Ca 0.32 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.83 1wbx h ALA 177 Cb 0.56 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1wbx h ALA 177 CO -0.77 0.05 -2.39 0.25 0.00 0.00 0.00 179.25 176.40 1wbx n THR 178 N -3.24 1.40 0.12 0.00 -2.24 -0.38 -4.31 114.28 105.62 1wbx n THR 178 Ca -0.01 -0.55 -0.01 0.00 -2.27 0.00 0.00 64.05 61.21 1wbx n THR 178 Cb 0.22 -1.32 0.27 0.00 -2.10 0.00 0.00 70.33 67.40 1wbx n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1wbx h LEU 179 N 0.00 0.18 -0.34 3.22 3.38 -1.14 -2.89 115.31 117.71 1wbx h LEU 179 Ca -0.54 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1wbx h LEU 179 Cb 1.86 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.57 1wbx h LEU 179 CO -0.08 0.55 -0.22 0.18 0.09 0.00 0.00 178.44 178.97 1wbx n LEU 180 N -4.05 0.75 -4.80 1.67 4.32 -0.76 -4.94 117.00 109.19 1wbx n LEU 180 Ca -0.01 -0.12 -0.31 0.00 -0.02 0.00 0.00 56.01 55.55 1wbx n LEU 180 Cb 0.45 -0.17 0.07 0.00 -1.62 0.00 0.00 43.42 42.15 1wbx n LEU 180 CO 0.41 0.14 0.71 -0.13 -1.22 0.00 0.00 177.39 177.30 1wbx s ARG 181 N -2.55 2.64 0.18 3.23 0.52 -1.09 -5.09 118.95 116.78 1wbx s ARG 181 Ca 0.25 0.95 0.07 0.00 -0.52 0.00 0.00 55.73 56.47 1wbx s ARG 181 Cb 0.19 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.66 1wbx s ARG 181 CO 0.52 -1.31 -0.14 0.95 0.02 0.00 0.00 175.30 175.34 1wbx s THR 182 N -3.03 1.55 -0.25 0.02 -4.23 -1.26 -4.57 115.64 103.87 1wbx s THR 182 Ca 0.59 -2.10 -0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1wbx s THR 182 Cb -0.15 -1.92 0.07 0.00 1.34 0.00 0.00 72.50 71.84 1wbx s THR 182 CO 0.55 -0.60 0.00 -1.81 -0.54 0.00 0.00 174.62 172.23 1wbx s ASP 183 N -3.13 3.75 0.56 3.99 1.01 0.08 -4.95 116.67 117.99 1wbx s ASP 183 Ca 0.19 -1.26 -0.21 0.00 0.71 0.00 0.00 52.55 51.98 1wbx s ASP 183 Cb -0.01 -1.03 -0.04 0.00 1.01 0.00 0.00 42.92 42.85 1wbx s ASP 183 CO 0.05 -0.29 1.31 -0.94 0.21 0.00 0.00 175.17 175.51 1wbx s SER 184 N 1.50 5.20 0.48 0.27 1.04 -1.26 -1.20 113.70 119.72 1wbx s SER 184 Ca -0.01 2.66 -0.24 0.00 0.48 0.00 0.00 55.95 58.85 1wbx s SER 184 Cb -0.18 -2.63 -0.07 0.00 0.10 0.00 0.00 66.02 63.24 1wbx s SER 184 CO -0.10 -1.61 1.38 -2.84 0.98 0.00 0.00 173.24 171.05 1wbx s PRO 185 N -3.03 3.50 -0.30 4.02 0.02 -1.26 -4.60 135.00 133.36 1wbx s PRO 185 Ca 0.74 2.30 -0.16 0.00 0.02 0.00 0.00 61.00 63.90 1wbx s PRO 185 Cb -0.38 -2.50 -0.02 0.00 0.02 0.00 0.00 34.50 31.62 1wbx s PRO 185 CO 0.43 -0.92 0.43 0.15 -0.33 0.00 0.00 177.00 176.76 1wbx s LYS 186 N -2.62 3.85 0.11 5.54 1.02 -0.19 -4.90 119.74 122.55 1wbx s LYS 186 Ca 0.65 -0.04 0.10 0.00 0.02 0.00 0.00 55.97 56.70 1wbx s LYS 186 Cb -0.41 -3.72 -0.04 0.00 -0.52 0.00 0.00 37.83 33.14 1wbx s LYS 186 CO 0.52 -0.42 -0.25 0.00 -0.92 0.00 0.00 175.35 174.27 1wbx s ALA 187 N 2.18 2.21 0.14 5.17 0.00 -1.26 -0.67 121.76 129.54 1wbx s ALA 187 Ca 0.16 -1.37 -0.23 0.00 0.00 0.00 0.00 51.96 50.52 1wbx s ALA 187 Cb -0.16 -0.36 0.07 0.00 0.00 0.00 0.00 23.12 22.67 1wbx s ALA 187 CO 0.11 0.49 0.60 -3.38 0.00 0.00 0.00 175.76 173.58 1wbx s HIS 188 N -1.03 -0.54 -0.18 0.00 -3.43 -0.97 -5.00 115.29 104.15 1wbx s HIS 188 Ca 0.12 0.39 -0.05 0.00 -0.80 0.00 0.00 55.06 54.72 1wbx s HIS 188 Cb -0.10 0.53 -0.03 0.00 -1.43 0.00 0.00 32.58 31.56 1wbx s HIS 188 CO 0.05 -0.82 -0.01 0.08 -2.00 0.00 0.00 174.74 172.04 1wbx s VAL 189 N -3.52 4.01 0.39 -5.38 1.01 -1.26 -0.71 120.40 114.94 1wbx s VAL 189 Ca -0.00 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.75 1wbx s VAL 189 Cb -0.01 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 1wbx s VAL 189 CO -0.11 0.46 0.41 0.42 0.00 0.00 0.00 175.10 176.28 1wbx s THR 190 N 0.67 3.13 -0.03 3.92 -4.23 0.21 -4.71 115.64 114.60 1wbx s THR 190 Ca -0.01 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 59.29 1wbx s THR 190 Cb -0.14 -3.10 0.01 0.00 1.34 0.00 0.00 72.50 70.61 1wbx s THR 190 CO 0.02 -0.06 -0.05 -2.28 -0.54 0.00 0.00 174.62 171.71 1wbx s HIS 191 N -2.37 0.67 -0.00 3.99 2.46 -1.26 -1.57 115.29 117.21 1wbx s HIS 191 Ca 0.47 -0.16 -0.05 0.00 0.47 0.00 0.00 55.06 55.80 1wbx s HIS 191 Cb -0.06 -0.54 -0.00 0.00 -0.13 0.00 0.00 32.58 31.84 1wbx s HIS 191 CO 0.29 -0.11 0.09 -1.01 -2.47 0.00 0.00 174.74 171.53 1wbx s HIS 192 N 0.49 0.07 0.62 3.88 3.76 -0.17 -5.00 115.29 118.95 1wbx s HIS 192 Ca -0.06 -0.16 -0.18 0.00 -0.15 0.00 0.00 55.06 54.51 1wbx s HIS 192 Cb -0.10 -0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.50 1wbx s HIS 192 CO 0.00 -0.22 1.26 -2.14 -0.85 0.00 0.00 174.74 172.78 1wbx s PRO 193 N -1.16 2.75 0.03 8.40 0.02 -1.26 -1.07 135.00 142.72 1wbx s PRO 193 Ca -0.13 1.96 0.00 0.00 0.02 0.00 0.00 61.00 62.86 1wbx s PRO 193 Cb -0.07 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1wbx s PRO 193 CO 0.01 -1.41 0.00 -2.13 -0.33 0.00 0.00 177.00 173.13 1wbx n ARG 194 N -1.74 0.00 -3.85 5.54 3.00 -1.12 -4.55 116.66 113.94 1wbx n ARG 194 Ca 0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.88 1wbx n ARG 194 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 32.46 32.93 1wbx n ARG 194 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1wbx n SER 195 N -2.63 -1.85 -4.62 6.15 3.41 -0.84 -5.02 113.62 108.22 1wbx n SER 195 Ca 0.00 -2.72 -0.50 0.00 -0.26 0.00 0.00 58.87 55.39 1wbx n SER 195 Cb 0.00 3.21 -0.05 0.00 -0.26 0.00 0.00 64.21 67.10 1wbx n SER 195 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1wbx n LYS 196 N -0.55 1.74 -1.10 4.33 4.81 -1.26 -0.52 118.16 125.60 1wbx n LYS 196 Ca -0.04 0.59 -0.04 0.00 -0.87 0.00 0.00 58.31 57.95 1wbx n LYS 196 Cb 0.59 -2.59 -0.02 0.00 0.02 0.00 0.00 35.03 33.03 1wbx n LYS 196 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wbx n GLY 197 N 5.09 0.62 2.95 3.14 0.00 -1.26 -5.00 105.19 110.74 1wbx n GLY 197 Ca 0.29 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1wbx n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wbx s GLU 198 N -1.63 0.11 0.17 1.61 2.02 0.33 -1.14 118.70 120.17 1wbx s GLU 198 Ca 0.00 0.03 0.03 0.00 0.02 0.00 0.00 54.97 55.05 1wbx s GLU 198 Cb 0.00 0.05 -0.05 0.00 0.10 0.00 0.00 34.13 34.23 1wbx s GLU 198 CO 0.00 -0.02 -0.03 0.14 0.02 0.00 0.00 175.26 175.38 1wbx s VAL 199 N -0.11 0.84 -0.16 2.63 -7.23 0.35 -1.99 120.40 114.74 1wbx s VAL 199 Ca -0.02 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.11 1wbx s VAL 199 Cb -0.01 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 1wbx s VAL 199 CO 0.00 -0.54 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.35 1wbx s THR 200 N -3.54 4.17 -0.18 5.32 2.01 -0.23 0.14 115.64 123.32 1wbx s THR 200 Ca 0.22 -0.26 -0.05 0.00 0.31 0.00 0.00 61.69 61.91 1wbx s THR 200 Cb 0.05 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 1wbx s THR 200 CO 0.03 0.49 0.00 -0.76 -0.69 0.00 0.00 174.62 173.70 1wbx s LEU 201 N 0.25 3.40 -0.16 4.42 1.43 0.23 -1.00 118.68 127.26 1wbx s LEU 201 Ca -0.01 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1wbx s LEU 201 Cb -0.13 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.26 1wbx s LEU 201 CO 0.02 0.13 -0.19 -0.60 0.23 0.00 0.00 176.35 175.94 1wbx s ARG 202 N 0.61 2.85 -0.38 1.70 3.52 -0.61 -1.23 118.95 125.41 1wbx s ARG 202 Ca -0.00 -0.78 -0.14 0.00 -0.13 0.00 0.00 55.73 54.67 1wbx s ARG 202 Cb -0.14 -2.42 0.01 0.00 -1.56 0.00 0.00 34.95 30.84 1wbx s ARG 202 CO 0.02 -0.15 0.29 0.00 -0.81 0.00 0.00 175.30 174.66 1wbx s TRP 204 N 1.74 3.66 -0.13 0.00 0.52 0.11 -1.60 118.94 123.24 1wbx s TRP 204 Ca 0.06 0.75 -0.00 0.00 0.02 0.00 0.00 56.10 56.93 1wbx s TRP 204 Cb -0.18 -2.11 0.03 0.00 -1.15 0.00 0.00 33.47 30.06 1wbx s TRP 204 CO 0.10 0.69 -0.08 0.00 0.02 0.00 0.00 176.95 177.69 1wbx s ALA 205 N -1.04 1.47 0.21 0.98 0.00 0.18 -2.29 121.76 121.27 1wbx s ALA 205 Ca 0.19 -0.69 0.10 0.00 0.00 0.00 0.00 51.96 51.56 1wbx s ALA 205 Cb -0.14 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 1wbx s ALA 205 CO 0.08 -0.52 -0.21 -0.51 0.00 0.00 0.00 175.76 174.61 1wbx s LEU 206 N 1.65 2.49 -1.46 0.00 1.43 0.16 -1.22 118.68 121.72 1wbx s LEU 206 Ca 0.04 -0.92 -0.09 0.00 -1.03 0.00 0.00 54.13 52.12 1wbx s LEU 206 Cb -0.13 -1.02 0.04 0.00 0.03 0.00 0.00 46.19 45.11 1wbx s LEU 206 CO -0.08 0.03 0.87 0.61 0.23 0.00 0.00 176.35 178.01 1wbx n GLY 207 N -0.01 -0.52 3.81 -3.19 0.00 -0.56 -1.02 105.19 103.70 1wbx n GLY 207 Ca -0.10 0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1wbx n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wbx s PHE 208 N -3.22 3.15 -0.24 1.61 -0.12 -0.98 -4.72 117.98 113.45 1wbx s PHE 208 Ca 0.51 -0.05 -0.19 0.00 -0.05 0.00 0.00 56.93 57.15 1wbx s PHE 208 Cb -0.24 -1.48 0.07 0.00 -0.63 0.00 0.00 43.02 40.74 1wbx s PHE 208 CO 0.62 0.52 0.63 -0.47 -0.05 0.00 0.00 175.22 176.47 1wbx s TYR 209 N -1.89 -0.80 0.77 3.49 5.04 -0.34 -0.29 117.35 123.32 1wbx s TYR 209 Ca 0.32 1.80 -0.13 0.00 -2.44 0.00 0.00 57.07 56.61 1wbx s TYR 209 Cb -0.09 0.37 0.19 0.00 0.35 0.00 0.00 41.96 42.77 1wbx s TYR 209 CO 0.24 -0.40 0.78 -0.35 -1.34 0.00 0.00 175.55 174.49 1wbx n PRO 210 N 3.41 -1.93 0.26 4.97 -0.04 -1.26 -0.74 135.00 139.67 1wbx n PRO 210 Ca -0.17 -1.24 0.15 0.00 -0.04 0.00 0.00 63.50 62.20 1wbx n PRO 210 Cb 0.57 -1.04 0.51 0.00 -0.04 0.00 0.00 33.50 33.50 1wbx n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wbx h ALA 211 N -2.29 1.00 -2.65 0.55 0.00 -1.96 -3.44 119.26 110.47 1wbx h ALA 211 Ca -0.28 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.08 1wbx h ALA 211 Cb 0.82 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.66 1wbx h ALA 211 CO 0.19 0.03 0.96 -0.51 0.00 0.00 0.00 179.25 179.92 1wbx s ASP 212 N -5.89 6.45 -0.03 0.00 1.11 -1.26 -4.98 116.67 112.07 1wbx s ASP 212 Ca 0.03 2.78 -0.29 0.00 0.18 0.00 0.00 52.55 55.25 1wbx s ASP 212 Cb 0.08 -2.60 0.09 0.00 1.07 0.00 0.00 42.92 41.56 1wbx s ASP 212 CO 0.59 -0.92 0.81 -0.51 1.18 0.00 0.00 175.17 176.32 1wbx s ILE 213 N 1.11 0.00 -0.08 0.77 2.07 -1.26 -4.66 121.20 119.16 1wbx s ILE 213 Ca 0.73 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.97 1wbx s ILE 213 Cb -0.48 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.14 1wbx s ILE 213 CO 0.32 0.00 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.39 1wbx s THR 214 N -2.13 0.88 -0.09 4.00 2.01 -0.62 -5.01 115.64 114.68 1wbx s THR 214 Ca -0.02 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.73 1wbx s THR 214 Cb -0.01 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 1wbx s THR 214 CO -0.01 0.32 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.33 1wbx s LEU 215 N 1.19 2.71 0.07 4.42 1.43 -1.26 -0.84 118.68 126.39 1wbx s LEU 215 Ca -0.06 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1wbx s LEU 215 Cb -0.14 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 1wbx s LEU 215 CO -0.02 0.26 -0.08 0.42 0.23 0.00 0.00 176.35 177.16 1wbx s THR 216 N -0.21 0.67 0.01 5.49 -4.23 -0.31 -4.99 115.64 112.08 1wbx s THR 216 Ca 0.00 -1.41 0.07 0.00 -1.18 0.00 0.00 61.69 59.17 1wbx s THR 216 Cb -0.13 -1.04 -0.03 0.00 1.34 0.00 0.00 72.50 72.64 1wbx s THR 216 CO 0.03 -0.53 -0.21 0.26 -0.54 0.00 0.00 174.62 173.63 1wbx s TRP 217 N -2.15 2.49 0.03 3.99 0.52 -1.26 -0.53 118.94 122.03 1wbx s TRP 217 Ca -0.01 -0.31 0.06 0.00 0.02 0.00 0.00 56.10 55.86 1wbx s TRP 217 Cb -0.05 -1.49 -0.02 0.00 -1.15 0.00 0.00 33.47 30.76 1wbx s TRP 217 CO -0.01 0.16 -0.18 -0.65 0.02 0.00 0.00 176.95 176.28 1wbx s GLN 218 N -1.10 1.30 -0.04 4.98 -0.21 0.20 0.06 119.66 124.84 1wbx s GLN 218 Ca 0.12 -0.82 0.02 0.00 0.02 0.00 0.00 55.36 54.70 1wbx s GLN 218 Cb -0.10 -1.35 0.01 0.00 1.00 0.00 0.00 33.01 32.57 1wbx s GLN 218 CO 0.02 0.35 -0.08 -1.17 -2.12 0.00 0.00 175.29 172.29 1wbx s LEU 219 N -0.98 1.57 -1.64 2.90 2.96 -0.59 -2.05 118.68 120.85 1wbx s LEU 219 Ca 0.06 -0.19 -0.17 0.00 -0.22 0.00 0.00 54.13 53.61 1wbx s LEU 219 Cb -0.08 -0.58 0.13 0.00 0.50 0.00 0.00 46.19 46.16 1wbx s LEU 219 CO 0.01 0.01 0.86 -3.20 -1.32 0.00 0.00 176.35 172.71 1wbx n ASN 220 N 3.73 -3.82 -0.01 3.68 2.85 -1.26 -1.24 115.26 119.19 1wbx n ASN 220 Ca -0.23 -0.92 -0.00 0.00 -0.11 0.00 0.00 54.58 53.32 1wbx n ASN 220 Cb 0.52 -3.19 -0.00 0.00 1.24 0.00 0.00 39.78 38.36 1wbx n ASN 220 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wbx n GLY 221 N -1.52 0.45 3.39 8.20 0.00 -1.26 -5.03 105.19 109.42 1wbx n GLY 221 Ca 0.06 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1wbx n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wbx s GLU 222 N -0.34 2.14 0.30 1.61 0.41 -0.37 -5.12 118.70 117.32 1wbx s GLU 222 Ca 0.00 -0.92 -0.29 0.00 -0.41 0.00 0.00 54.97 53.35 1wbx s GLU 222 Cb 0.00 -2.14 -0.10 0.00 -1.78 0.00 0.00 34.13 30.11 1wbx s GLU 222 CO 0.00 0.56 1.21 -1.21 -0.49 0.00 0.00 175.26 175.33 1wbx s GLU 223 N -0.95 4.49 -1.33 1.61 0.41 -1.26 -1.54 118.70 120.14 1wbx s GLU 223 Ca 0.12 2.02 -0.08 0.00 -0.41 0.00 0.00 54.97 56.62 1wbx s GLU 223 Cb -0.10 -3.13 0.12 0.00 -1.78 0.00 0.00 34.13 29.24 1wbx s GLU 223 CO 0.01 -0.00 2.20 1.28 -0.49 0.00 0.00 175.26 178.26 1wbx n LEU 224 N 1.02 7.46 -0.15 1.80 4.77 0.11 -4.79 117.00 127.22 1wbx n LEU 224 Ca -0.00 -4.72 -0.05 0.00 -0.03 0.00 0.00 56.01 51.20 1wbx n LEU 224 Cb 0.43 -1.43 0.04 0.00 -2.33 0.00 0.00 43.42 40.13 1wbx n LEU 224 CO 0.57 1.74 1.00 0.74 -1.33 0.00 0.00 177.39 180.11 1wbx h THR 225 N 3.17 0.95 -0.50 -5.08 2.02 -1.92 -2.64 112.91 108.91 1wbx h THR 225 Ca 0.58 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.60 1wbx h THR 225 Cb 0.45 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1wbx h THR 225 CO 1.58 0.08 0.00 0.00 0.37 0.00 0.00 175.52 177.55 1wbx n GLN 226 N -4.91 3.42 -0.51 6.66 10.64 -1.26 -4.50 117.38 126.93 1wbx n GLN 226 Ca 0.03 -2.71 0.04 0.00 -1.83 0.00 0.00 57.00 52.53 1wbx n GLN 226 Cb 0.12 -1.76 0.06 0.00 -0.86 0.00 0.00 30.24 27.81 1wbx n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1wbx n ASP 227 N 0.64 1.00 -4.25 2.61 8.00 -1.00 -5.06 116.55 118.49 1wbx n ASP 227 Ca 0.22 -2.50 -0.21 0.00 0.71 0.00 0.00 54.79 53.01 1wbx n ASP 227 Cb 0.80 -0.31 -0.12 0.00 -0.02 0.00 0.00 41.12 41.47 1wbx n ASP 227 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wbx s MET 228 N -1.16 1.04 -0.29 -1.24 0.23 -1.21 -4.61 119.30 112.05 1wbx s MET 228 Ca 0.18 -1.15 -0.13 0.00 -1.03 0.00 0.00 55.69 53.55 1wbx s MET 228 Cb 0.17 -1.12 -0.04 0.00 -1.53 0.00 0.00 34.83 32.31 1wbx s MET 228 CO -0.02 0.25 0.29 -2.00 -2.03 0.00 0.00 175.02 171.51 1wbx s GLU 229 N -2.13 3.89 -0.26 3.16 2.12 0.45 -4.93 118.70 121.00 1wbx s GLU 229 Ca 0.06 -0.21 -0.04 0.00 0.36 0.00 0.00 54.97 55.14 1wbx s GLU 229 Cb -0.08 -3.69 0.01 0.00 0.26 0.00 0.00 34.13 30.63 1wbx s GLU 229 CO 0.04 -0.28 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.29 1wbx s LEU 230 N 1.92 3.36 0.54 2.70 2.96 -1.26 -0.89 118.68 128.00 1wbx s LEU 230 Ca 0.11 -0.74 -0.18 0.00 -0.22 0.00 0.00 54.13 53.09 1wbx s LEU 230 Cb -0.16 -1.75 -0.06 0.00 0.50 0.00 0.00 46.19 44.72 1wbx s LEU 230 CO 0.11 -0.13 1.07 0.54 -1.32 0.00 0.00 176.35 176.62 1wbx s VAL 231 N 1.41 3.57 0.26 1.68 0.11 -0.68 -4.99 120.40 121.74 1wbx s VAL 231 Ca 0.02 0.90 -0.30 0.00 -2.93 0.00 0.00 61.98 59.67 1wbx s VAL 231 Cb -0.16 -3.36 -0.09 0.00 -1.53 0.00 0.00 36.38 31.24 1wbx s VAL 231 CO -0.02 -0.29 1.26 -1.61 -3.33 0.00 0.00 175.10 171.11 1wbx s GLU 232 N -3.52 4.43 0.32 1.54 8.01 -1.26 -4.62 118.70 123.59 1wbx s GLU 232 Ca 0.68 2.05 -0.29 0.00 0.01 0.00 0.00 54.97 57.41 1wbx s GLU 232 Cb -0.19 -3.16 -0.11 0.00 -4.31 0.00 0.00 34.13 26.36 1wbx s GLU 232 CO 0.28 -0.13 1.58 2.41 0.01 0.00 0.00 175.26 179.40 1wbx n THR 233 N 1.76 1.29 -4.02 3.63 -1.04 -1.26 -4.86 114.28 109.78 1wbx n THR 233 Ca 0.03 -0.32 -0.11 0.00 -2.04 0.00 0.00 64.05 61.60 1wbx n THR 233 Cb 0.43 -1.99 -0.12 0.00 -1.82 0.00 0.00 70.33 66.83 1wbx n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wbx s ARG 234 N -0.95 0.39 0.18 -2.82 1.70 -0.79 -4.98 118.95 111.68 1wbx s ARG 234 Ca 0.61 -0.62 -0.30 0.00 -0.47 0.00 0.00 55.73 54.95 1wbx s ARG 234 Cb -0.48 -0.10 -0.08 0.00 -0.57 0.00 0.00 34.95 33.71 1wbx s ARG 234 CO 0.53 0.01 1.16 -1.25 -1.08 0.00 0.00 175.30 174.67 1wbx s PRO 235 N -1.35 4.52 0.41 3.89 0.04 -1.26 -0.70 135.00 140.56 1wbx s PRO 235 Ca -0.11 1.82 0.21 0.00 0.04 0.00 0.00 61.00 62.95 1wbx s PRO 235 Cb -0.09 -3.26 0.85 0.00 0.04 0.00 0.00 34.50 32.05 1wbx s PRO 235 CO -0.00 -0.04 1.81 0.00 0.04 0.00 0.00 177.00 178.81 1wbx h ALA 236 N 5.23 1.08 0.00 8.56 0.00 -1.13 -3.46 119.26 129.54 1wbx h ALA 236 Ca -0.44 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1wbx h ALA 236 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1wbx h ALA 236 CO 0.74 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.78 1wbx n GLY 237 N 0.01 0.43 0.56 0.00 0.00 -1.26 -4.93 105.19 99.99 1wbx n GLY 237 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1wbx n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wbx n ASP 238 N 0.00 3.15 0.00 1.61 5.68 -1.26 -4.95 116.55 120.78 1wbx n ASP 238 Ca 0.00 -2.74 0.00 0.00 -0.50 0.00 0.00 54.79 51.55 1wbx n ASP 238 Cb 0.00 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 1wbx n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wbx n GLY 239 N -0.55 2.01 3.97 6.12 0.00 -1.26 -5.07 105.19 110.42 1wbx n GLY 239 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1wbx n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wbx s THR 240 N -2.49 2.20 0.29 2.61 -4.23 -1.26 -4.91 115.64 107.84 1wbx s THR 240 Ca 0.00 -1.20 0.06 0.00 -1.18 0.00 0.00 61.69 59.37 1wbx s THR 240 Cb 0.00 -2.40 -0.06 0.00 1.34 0.00 0.00 72.50 71.38 1wbx s THR 240 CO 0.00 0.00 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.69 1wbx s PHE 241 N -2.62 1.93 0.05 3.99 0.40 0.60 -0.58 117.98 121.75 1wbx s PHE 241 Ca 0.51 -0.78 0.01 0.00 -0.60 0.00 0.00 56.93 56.07 1wbx s PHE 241 Cb -0.05 -1.15 -0.03 0.00 0.51 0.00 0.00 43.02 42.30 1wbx s PHE 241 CO 0.31 0.19 -0.06 -0.65 0.70 0.00 0.00 175.22 175.72 1wbx s GLN 242 N -3.78 0.53 0.07 0.44 -0.21 0.13 -1.50 119.66 115.34 1wbx s GLN 242 Ca 0.31 -0.86 -0.26 0.00 0.02 0.00 0.00 55.36 54.57 1wbx s GLN 242 Cb 0.05 -0.13 0.07 0.00 1.00 0.00 0.00 33.01 34.01 1wbx s GLN 242 CO 0.12 -0.00 0.66 0.21 -2.12 0.00 0.00 175.29 174.17 1wbx s LYS 243 N -2.14 1.15 0.11 2.91 2.20 -0.36 -1.88 119.74 121.73 1wbx s LYS 243 Ca -0.06 -0.21 -0.09 0.00 -0.36 0.00 0.00 55.97 55.25 1wbx s LYS 243 Cb -0.06 0.53 -0.00 0.00 -1.51 0.00 0.00 37.83 36.80 1wbx s LYS 243 CO -0.02 -0.46 0.23 1.67 -0.36 0.00 0.00 175.35 176.41 1wbx s TRP 244 N -2.80 0.18 -0.03 4.03 1.48 -1.26 -0.64 118.94 119.89 1wbx s TRP 244 Ca -0.03 -0.58 0.01 0.00 -1.06 0.00 0.00 56.10 54.44 1wbx s TRP 244 Cb -0.01 -0.03 0.02 0.00 -1.16 0.00 0.00 33.47 32.29 1wbx s TRP 244 CO -0.05 -0.59 -0.02 0.00 -4.06 0.00 0.00 176.95 172.23 1wbx s ALA 245 N -3.88 0.43 0.13 2.67 0.00 -0.63 -1.69 121.76 118.79 1wbx s ALA 245 Ca 0.07 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.17 1wbx s ALA 245 Cb 0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1wbx s ALA 245 CO -0.09 -0.04 -0.13 -1.54 0.00 0.00 0.00 175.76 173.97 1wbx s SER 246 N 0.90 1.94 0.03 0.00 1.04 -0.07 -0.74 113.70 116.80 1wbx s SER 246 Ca -0.10 -0.84 0.03 0.00 0.48 0.00 0.00 55.95 55.51 1wbx s SER 246 Cb -0.13 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 1wbx s SER 246 CO -0.01 -0.18 -0.08 0.68 0.98 0.00 0.00 173.24 174.63 1wbx s VAL 247 N -2.35 0.62 -0.19 5.02 -7.23 -0.37 -0.41 120.40 115.49 1wbx s VAL 247 Ca 0.10 -0.89 -0.11 0.00 -1.81 0.00 0.00 61.98 59.27 1wbx s VAL 247 Cb -0.04 -0.63 -0.05 0.00 0.56 0.00 0.00 36.38 36.22 1wbx s VAL 247 CO 0.03 -0.21 0.18 -0.69 -0.31 0.00 0.00 175.10 174.09 1wbx s VAL 248 N -1.02 5.38 0.04 1.32 1.01 -1.26 -0.60 120.40 125.27 1wbx s VAL 248 Ca -0.05 0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 1wbx s VAL 248 Cb -0.08 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1wbx s VAL 248 CO 0.00 0.42 0.00 0.68 0.00 0.00 0.00 175.10 176.21 1wbx s VAL 249 N 0.44 0.17 0.27 2.92 -7.23 0.12 -4.94 120.40 112.15 1wbx s VAL 249 Ca 0.10 -1.42 -0.30 0.00 -1.81 0.00 0.00 61.98 58.56 1wbx s VAL 249 Cb -0.12 -1.07 -0.10 0.00 0.56 0.00 0.00 36.38 35.65 1wbx s VAL 249 CO 0.00 -0.78 1.42 -2.84 -0.31 0.00 0.00 175.10 172.58 1wbx s PRO 250 N -3.05 4.28 0.15 4.82 0.02 -1.26 -0.49 135.00 139.47 1wbx s PRO 250 Ca -0.01 2.29 -0.31 0.00 0.02 0.00 0.00 61.00 62.99 1wbx s PRO 250 Cb 0.02 -3.10 -0.11 0.00 0.02 0.00 0.00 34.50 31.33 1wbx s PRO 250 CO -0.07 -0.38 1.76 -1.17 -0.33 0.00 0.00 177.00 176.82 1wbx s LEU 251 N -0.69 4.39 0.00 -5.54 2.96 -0.29 -1.35 118.68 118.16 1wbx s LEU 251 Ca 0.57 2.77 0.00 0.00 -0.22 0.00 0.00 54.13 57.25 1wbx s LEU 251 Cb -0.42 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.70 1wbx s LEU 251 CO 0.46 -0.97 0.00 0.61 -1.32 0.00 0.00 176.35 175.12 1wbx n GLY 252 N 4.10 0.86 0.57 7.98 0.00 -1.26 -4.92 105.19 112.53 1wbx n GLY 252 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 1wbx n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wbx n LYS 253 N -2.00 2.79 -0.08 1.61 4.76 -0.45 -4.75 118.16 120.03 1wbx n LYS 253 Ca 0.00 -1.97 0.07 0.00 -2.87 0.00 0.00 58.31 53.54 1wbx n LYS 253 Cb 0.00 -1.24 0.43 0.00 -1.84 0.00 0.00 35.03 32.38 1wbx n LYS 253 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1wbx h GLU 254 N 1.85 0.55 0.00 1.97 3.07 -1.92 -0.85 114.58 119.25 1wbx h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1wbx h GLU 254 Cb 0.70 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1wbx h GLU 254 CO 0.00 0.36 0.00 1.04 -1.40 0.00 0.00 179.01 179.01 1wbx n GLN 255 N -4.47 0.18 0.00 2.33 1.13 -1.26 -2.17 117.38 113.11 1wbx n GLN 255 Ca 0.07 0.44 0.11 0.00 -1.94 0.00 0.00 57.00 55.69 1wbx n GLN 255 Cb 0.20 -1.86 0.55 0.00 0.11 0.00 0.00 30.24 29.23 1wbx n GLN 255 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1wbx n ASN 256 N -2.21 0.00 -4.68 1.08 5.03 -0.33 -4.80 115.26 109.36 1wbx n ASN 256 Ca 0.02 0.24 -0.35 0.00 0.87 0.00 0.00 54.58 55.35 1wbx n ASN 256 Cb 0.21 -0.40 -0.09 0.00 -1.02 0.00 0.00 39.78 38.47 1wbx n ASN 256 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1wbx s TYR 257 N -2.80 3.19 0.02 3.10 1.51 -0.92 -4.22 117.35 117.22 1wbx s TYR 257 Ca 0.17 0.17 0.04 0.00 -1.01 0.00 0.00 57.07 56.44 1wbx s TYR 257 Cb 0.16 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 1wbx s TYR 257 CO 0.40 0.42 -0.13 0.95 -1.11 0.00 0.00 175.55 176.08 1wbx s THR 258 N -0.69 1.03 -0.15 -0.71 -4.23 -0.87 -4.55 115.64 105.46 1wbx s THR 258 Ca 0.11 -0.77 -0.06 0.00 -1.18 0.00 0.00 61.69 59.79 1wbx s THR 258 Cb -0.12 -0.90 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 1wbx s THR 258 CO 0.02 0.12 0.05 0.00 -0.54 0.00 0.00 174.62 174.27 1wbx s ARG 260 N -0.12 2.75 -0.12 0.00 0.52 0.31 0.17 118.95 122.45 1wbx s ARG 260 Ca 0.06 -0.56 0.02 0.00 -0.52 0.00 0.00 55.73 54.73 1wbx s ARG 260 Cb -0.12 -2.61 0.01 0.00 0.52 0.00 0.00 34.95 32.75 1wbx s ARG 260 CO 0.01 0.66 -0.18 0.08 0.02 0.00 0.00 175.30 175.90 1wbx s VAL 261 N -0.87 1.69 -0.09 3.52 1.01 -0.62 -1.17 120.40 123.88 1wbx s VAL 261 Ca 0.14 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1wbx s VAL 261 Cb -0.11 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 1wbx s VAL 261 CO 0.03 0.48 -0.23 -0.31 0.00 0.00 0.00 175.10 175.07 1wbx s TYR 262 N 0.94 2.42 -0.16 5.22 1.51 -0.02 -1.48 117.35 125.78 1wbx s TYR 262 Ca -0.06 -0.93 -0.28 0.00 -1.01 0.00 0.00 57.07 54.78 1wbx s TYR 262 Cb -0.15 -1.62 0.09 0.00 -0.11 0.00 0.00 41.96 40.17 1wbx s TYR 262 CO -0.02 -0.36 0.80 -1.58 -1.11 0.00 0.00 175.55 173.28 1wbx s HIS 263 N 0.27 -0.61 0.42 2.71 2.46 -1.26 -1.58 115.29 117.69 1wbx s HIS 263 Ca -0.15 1.25 0.17 0.00 0.47 0.00 0.00 55.06 56.80 1wbx s HIS 263 Cb -0.17 0.37 1.08 0.00 -0.13 0.00 0.00 32.58 33.74 1wbx s HIS 263 CO 0.07 -0.44 1.87 0.93 -2.47 0.00 0.00 174.74 174.71 1wbx h GLU 264 N 3.62 0.39 0.00 2.88 5.08 -1.94 0.05 114.58 124.66 1wbx h GLU 264 Ca -0.26 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1wbx h GLU 264 Cb 1.15 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1wbx h GLU 264 CO 0.24 0.26 0.00 0.41 -1.00 0.00 0.00 179.01 178.92 1wbx n GLY 265 N -1.52 -0.88 3.15 -3.84 0.00 -1.26 -4.57 105.19 96.26 1wbx n GLY 265 Ca 0.18 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1wbx n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wbx s LEU 266 N -2.31 4.46 0.20 0.99 1.43 0.00 -4.67 118.68 118.78 1wbx s LEU 266 Ca 0.28 -1.59 -0.13 0.00 -1.03 0.00 0.00 54.13 51.65 1wbx s LEU 266 Cb 0.15 -1.76 0.21 0.00 0.03 0.00 0.00 46.19 44.83 1wbx s LEU 266 CO 0.31 -0.37 1.66 -0.65 0.23 0.00 0.00 176.35 177.52 1wbx h PRO 267 N 8.00 0.06 -6.28 1.29 0.11 -1.82 -3.40 132.00 129.96 1wbx h PRO 267 Ca -0.17 -0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.24 1wbx h PRO 267 Cb 1.05 -0.01 -0.24 0.00 0.11 0.00 0.00 31.00 31.91 1wbx h PRO 267 CO 0.59 0.04 -0.78 -2.00 -0.21 0.00 0.00 178.00 175.65 1wbx s GLU 268 N -6.19 2.53 0.56 1.05 2.56 -1.26 -5.12 118.70 112.83 1wbx s GLU 268 Ca -0.14 -0.71 -0.21 0.00 0.00 0.00 0.00 54.97 53.91 1wbx s GLU 268 Cb 0.17 -2.37 -0.04 0.00 2.00 0.00 0.00 34.13 33.89 1wbx s GLU 268 CO 0.73 0.60 1.32 -2.14 -0.56 0.00 0.00 175.26 175.21 1wbx s PRO 269 N -0.67 3.10 0.40 4.30 0.02 -1.26 -5.00 135.00 135.88 1wbx s PRO 269 Ca 0.10 2.15 -0.23 0.00 0.02 0.00 0.00 61.00 63.03 1wbx s PRO 269 Cb -0.11 -2.19 -0.10 0.00 0.02 0.00 0.00 34.50 32.13 1wbx s PRO 269 CO 0.01 -1.20 1.00 -0.51 -0.33 0.00 0.00 177.00 175.97 1wbx s LEU 270 N -3.64 4.11 -0.16 -5.54 1.43 -0.55 -4.86 118.68 109.48 1wbx s LEU 270 Ca 0.73 1.89 0.01 0.00 -1.03 0.00 0.00 54.13 55.73 1wbx s LEU 270 Cb -0.38 -4.26 0.02 0.00 0.03 0.00 0.00 46.19 41.60 1wbx s LEU 270 CO 0.45 -0.38 -0.15 -0.89 0.23 0.00 0.00 176.35 175.60 1wbx s THR 271 N -1.80 1.71 0.16 5.49 2.01 -1.26 -1.59 115.64 120.36 1wbx s THR 271 Ca 0.58 -0.76 0.08 0.00 0.31 0.00 0.00 61.69 61.90 1wbx s THR 271 Cb -0.17 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1wbx s THR 271 CO 0.22 0.45 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.67 1wbx s LEU 272 N 1.42 2.45 0.09 4.42 1.02 0.13 -4.95 118.68 123.26 1wbx s LEU 272 Ca 0.04 -0.88 -0.08 0.00 0.02 0.00 0.00 54.13 53.23 1wbx s LEU 272 Cb -0.13 -0.76 -0.00 0.00 0.02 0.00 0.00 46.19 45.31 1wbx s LEU 272 CO -0.11 -0.07 0.19 0.00 0.02 0.00 0.00 176.35 176.38 1wbx s ARG 273 N -2.91 0.87 0.03 1.70 1.70 -1.26 -0.13 118.95 118.94 1wbx s ARG 273 Ca 0.16 -0.99 -0.30 0.00 -0.47 0.00 0.00 55.73 54.12 1wbx s ARG 273 Cb -0.05 0.34 -0.07 0.00 -0.57 0.00 0.00 34.95 34.60 1wbx s ARG 273 CO 0.06 -0.28 1.57 -0.46 -1.08 0.00 0.00 175.30 175.11 1wbx s TRP 274 N -3.87 2.51 -0.44 5.89 -0.00 -1.26 -4.64 118.94 117.11 1wbx s TRP 274 Ca 0.06 0.47 0.04 0.00 -0.00 0.00 0.00 56.10 56.67 1wbx s TRP 274 Cb 0.05 -3.85 0.12 0.00 -0.00 0.00 0.00 33.47 29.78 1wbx s TRP 274 CO -0.10 -3.38 0.17 -1.83 -0.00 0.00 0.00 176.95 171.82 1wbx s GLU 275 N 2.75 1.78 0.00 5.86 -1.05 -1.26 -4.90 118.70 121.88 1wbx s GLU 275 Ca 0.70 -2.30 0.14 0.00 -0.15 0.00 0.00 54.97 53.36 1wbx s GLU 275 Cb -0.36 -3.28 0.81 0.00 -0.44 0.00 0.00 34.13 30.86 1wbx s GLU 275 CO 0.30 -1.04 1.24 -0.35 0.95 0.00 0.00 175.26 176.36