#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wub s LYS 2 N 0.00 4.16 -0.04 3.17 2.20 -1.26 -0.81 119.74 127.16 1wub s LYS 2 Ca 0.00 -0.21 0.02 0.00 -0.36 0.00 0.00 55.97 55.42 1wub s LYS 2 Cb 0.00 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.83 1wub s LYS 2 CO 0.00 0.22 -0.08 -1.58 -0.36 0.00 0.00 175.35 173.55 1wub s TRP 3 N 0.59 2.87 -0.14 4.03 0.52 0.51 -4.70 118.94 122.62 1wub s TRP 3 Ca 0.09 -0.03 -0.04 0.00 0.02 0.00 0.00 56.10 56.13 1wub s TRP 3 Cb -0.12 -1.66 -0.03 0.00 -1.15 0.00 0.00 33.47 30.51 1wub s TRP 3 CO 0.00 0.32 0.00 -0.80 0.02 0.00 0.00 176.95 176.50 1wub s ASN 4 N -1.01 5.18 0.33 2.95 0.01 0.30 -1.14 114.94 121.57 1wub s ASN 4 Ca 0.14 0.02 -0.29 0.00 -0.71 0.00 0.00 52.86 52.02 1wub s ASN 4 Cb -0.11 -1.75 -0.11 0.00 0.41 0.00 0.00 41.25 39.69 1wub s ASN 4 CO 0.03 0.23 1.45 -0.76 -1.51 0.00 0.00 177.10 176.54 1wub s LEU 5 N -0.01 4.36 -0.46 0.60 1.02 -0.09 -0.81 118.68 123.29 1wub s LEU 5 Ca 0.03 2.89 -0.19 0.00 0.02 0.00 0.00 54.13 56.88 1wub s LEU 5 Cb -0.13 -3.65 0.04 0.00 0.02 0.00 0.00 46.19 42.47 1wub s LEU 5 CO 0.02 -0.77 0.57 -0.62 0.02 0.00 0.00 176.35 175.58 1wub s ASP 6 N -0.07 6.25 0.57 2.29 2.15 0.78 -4.52 116.67 124.12 1wub s ASP 6 Ca 0.54 -0.67 0.25 0.00 0.43 0.00 0.00 52.55 53.11 1wub s ASP 6 Cb -0.44 -2.28 1.59 0.00 -0.30 0.00 0.00 42.92 41.49 1wub s ASP 6 CO 0.55 -0.76 2.17 -0.65 -0.17 0.00 0.00 175.17 176.31 1wub h PRO 7 N 8.88 0.00 0.00 4.34 0.11 -1.86 -1.56 132.00 141.90 1wub h PRO 7 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1wub h PRO 7 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1wub h PRO 7 CO 0.89 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.11 1wub n SER 8 N -4.08 0.65 -1.27 -2.05 7.64 -1.26 -3.37 113.62 109.88 1wub n SER 8 Ca -0.01 0.60 0.04 0.00 1.01 0.00 0.00 58.87 60.51 1wub n SER 8 Cb 0.18 -0.76 0.08 0.00 -1.01 0.00 0.00 64.21 62.70 1wub n SER 8 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1wub n HIS 9 N -2.15 0.09 -4.97 1.43 8.25 -0.63 -5.02 115.22 112.22 1wub n HIS 9 Ca 0.04 -0.90 -0.32 0.00 -0.26 0.00 0.00 57.72 56.28 1wub n HIS 9 Cb 0.34 -0.19 -0.15 0.00 1.12 0.00 0.00 29.99 31.11 1wub n HIS 9 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1wub s THR 10 N -1.23 2.66 0.03 1.59 2.01 -0.95 -2.94 115.64 116.79 1wub s THR 10 Ca 0.35 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.60 1wub s THR 10 Cb 0.38 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.80 1wub s THR 10 CO -0.13 0.55 -0.19 -0.94 -0.69 0.00 0.00 174.62 173.21 1wub s SER 11 N 0.14 2.30 -0.21 3.53 1.04 0.76 -4.72 113.70 116.54 1wub s SER 11 Ca -0.09 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 55.89 1wub s SER 11 Cb -0.16 -0.21 0.04 0.00 0.10 0.00 0.00 66.02 65.80 1wub s SER 11 CO 0.06 0.17 -0.11 -0.63 0.98 0.00 0.00 173.24 173.71 1wub s ILE 12 N -0.70 1.74 -0.02 -1.02 1.01 -1.24 -1.24 121.20 119.72 1wub s ILE 12 Ca 0.07 -1.11 0.08 0.00 0.00 0.00 0.00 60.65 59.68 1wub s ILE 12 Cb -0.08 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 1wub s ILE 12 CO 0.01 0.14 -0.26 -1.81 0.00 0.00 0.00 174.94 173.03 1wub s ASP 13 N 1.35 3.05 0.17 3.58 1.01 -0.23 -1.82 116.67 123.77 1wub s ASP 13 Ca -0.02 -0.47 0.04 0.00 0.71 0.00 0.00 52.55 52.80 1wub s ASP 13 Cb -0.17 -0.39 -0.05 0.00 1.01 0.00 0.00 42.92 43.32 1wub s ASP 13 CO -0.08 0.31 -0.07 0.72 0.21 0.00 0.00 175.17 176.27 1wub s PHE 14 N -0.56 1.30 0.00 4.23 -0.12 -0.07 -0.18 117.98 122.59 1wub s PHE 14 Ca 0.09 -0.83 0.01 0.00 -0.05 0.00 0.00 56.93 56.14 1wub s PHE 14 Cb -0.10 -0.70 -0.00 0.00 -0.63 0.00 0.00 43.02 41.58 1wub s PHE 14 CO -0.00 0.01 -0.03 0.15 -0.05 0.00 0.00 175.22 175.29 1wub s LYS 15 N -3.80 0.23 -0.01 1.99 1.02 0.00 -1.96 119.74 117.21 1wub s LYS 15 Ca 0.20 -0.15 0.02 0.00 0.02 0.00 0.00 55.97 56.06 1wub s LYS 15 Cb 0.04 -0.20 -0.00 0.00 -0.52 0.00 0.00 37.83 37.15 1wub s LYS 15 CO 0.02 0.05 -0.08 0.08 -0.92 0.00 0.00 175.35 174.51 1wub s VAL 16 N -0.19 0.63 0.31 3.17 1.01 -0.61 -1.91 120.40 122.81 1wub s VAL 16 Ca -0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 1wub s VAL 16 Cb -0.02 -0.55 -0.10 0.00 0.00 0.00 0.00 36.38 35.71 1wub s VAL 16 CO -0.00 0.19 1.27 -0.13 0.00 0.00 0.00 175.10 176.43 1wub s ARG 17 N 0.02 4.42 -0.17 2.72 0.52 -1.26 -0.84 118.95 124.35 1wub s ARG 17 Ca 0.00 2.12 0.01 0.00 -0.52 0.00 0.00 55.73 57.34 1wub s ARG 17 Cb -0.05 -3.11 0.02 0.00 0.52 0.00 0.00 34.95 32.33 1wub s ARG 17 CO -0.00 -0.11 -0.19 -1.58 0.02 0.00 0.00 175.30 173.44 1wub s HIS 18 N -1.01 2.65 -1.19 -0.53 5.65 0.56 -1.17 115.29 120.24 1wub s HIS 18 Ca 0.49 -1.55 0.00 0.00 0.25 0.00 0.00 55.06 54.25 1wub s HIS 18 Cb -0.38 -1.85 0.00 0.00 -1.18 0.00 0.00 32.58 29.17 1wub s HIS 18 CO 0.49 -0.77 0.00 -1.33 -0.65 0.00 0.00 174.74 172.48 1wub n MET 19 N 4.62 -1.57 0.00 2.88 2.81 0.95 -2.07 117.12 124.73 1wub n MET 19 Ca -0.20 0.66 0.00 0.00 -1.81 0.00 0.00 57.70 56.35 1wub n MET 19 Cb 0.50 -5.00 0.00 0.00 -0.71 0.00 0.00 33.22 28.01 1wub n MET 19 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wub n GLY 20 N -0.40 2.22 0.01 3.03 0.00 -1.24 -4.75 105.19 104.06 1wub n GLY 20 Ca -0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.96 1wub n GLY 20 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wub n ILE 21 N -1.98 0.00 -4.13 -0.61 -6.64 -0.88 -5.06 119.36 100.05 1wub n ILE 21 Ca 0.00 -0.28 -0.16 0.00 -1.77 0.00 0.00 62.75 60.54 1wub n ILE 21 Cb 0.00 0.31 -0.05 0.00 -1.44 0.00 0.00 39.64 38.46 1wub n ILE 21 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1wub s ALA 22 N -2.78 1.06 0.04 -1.28 0.00 -1.02 -5.02 121.76 112.76 1wub s ALA 22 Ca -0.03 -1.67 0.08 0.00 0.00 0.00 0.00 51.96 50.33 1wub s ALA 22 Cb 0.08 1.23 -0.03 0.00 0.00 0.00 0.00 23.12 24.40 1wub s ALA 22 CO 0.52 -0.77 -0.23 -1.12 0.00 0.00 0.00 175.76 174.16 1wub s SER 23 N -3.28 2.80 -0.16 0.00 0.01 -1.26 -0.33 113.70 111.49 1wub s SER 23 Ca 0.33 -0.54 -0.13 0.00 1.31 0.00 0.00 55.95 56.92 1wub s SER 23 Cb -0.00 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 1wub s SER 23 CO 0.23 0.22 0.28 -0.69 0.41 0.00 0.00 173.24 173.69 1wub s VAL 24 N -0.76 5.31 0.07 3.43 1.01 -0.02 -4.85 120.40 124.59 1wub s VAL 24 Ca 0.10 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.64 1wub s VAL 24 Cb -0.09 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1wub s VAL 24 CO 0.02 0.40 0.04 -0.13 0.00 0.00 0.00 175.10 175.43 1wub s ARG 25 N 0.40 2.75 0.25 2.72 0.52 -1.26 -1.58 118.95 122.76 1wub s ARG 25 Ca 0.16 -0.73 -0.11 0.00 -0.52 0.00 0.00 55.73 54.52 1wub s ARG 25 Cb -0.13 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.68 1wub s ARG 25 CO 0.04 0.56 0.46 0.20 0.02 0.00 0.00 175.30 176.58 1wub s GLY 26 N -2.27 0.67 0.15 -3.53 0.00 -0.83 -4.50 107.32 97.01 1wub s GLY 26 Ca 0.27 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 44.02 1wub s GLY 26 CO 0.19 -0.71 -0.02 -1.35 0.00 0.00 0.00 173.10 171.22 1wub s SER 27 N -3.05 1.24 0.05 1.64 1.04 0.08 -0.89 113.70 113.82 1wub s SER 27 Ca 0.24 -1.12 0.04 0.00 0.48 0.00 0.00 55.95 55.59 1wub s SER 27 Cb -0.00 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 1wub s SER 27 CO 0.10 -0.53 -0.12 -0.76 0.98 0.00 0.00 173.24 172.91 1wub s LEU 28 N -3.14 2.23 -0.07 2.42 1.43 -0.75 -1.65 118.68 119.15 1wub s LEU 28 Ca 0.21 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 1wub s LEU 28 Cb 0.06 -0.45 -0.05 0.00 0.03 0.00 0.00 46.19 45.78 1wub s LEU 28 CO 0.02 -0.07 0.28 -0.54 0.23 0.00 0.00 176.35 176.26 1wub s LYS 29 N -1.48 3.75 0.11 1.70 1.02 -1.26 -3.60 119.74 119.97 1wub s LYS 29 Ca -0.03 0.14 -0.24 0.00 0.02 0.00 0.00 55.97 55.86 1wub s LYS 29 Cb -0.09 -3.23 -0.07 0.00 -0.52 0.00 0.00 37.83 33.92 1wub s LYS 29 CO 0.01 0.68 0.73 0.08 -0.92 0.00 0.00 175.35 175.93 1wub s VAL 30 N -0.89 4.56 -0.13 3.17 1.01 -1.26 -0.93 120.40 125.93 1wub s VAL 30 Ca 0.19 1.57 -0.18 0.00 0.00 0.00 0.00 61.98 63.56 1wub s VAL 30 Cb -0.14 -4.08 -0.25 0.00 0.00 0.00 0.00 36.38 31.91 1wub s VAL 30 CO 0.08 0.48 0.49 -0.07 0.00 0.00 0.00 175.10 176.08 1wub h LEU 31 N 4.79 0.24 -7.56 3.92 3.38 -0.64 -3.44 115.31 116.01 1wub h LEU 31 Ca -0.47 -0.79 0.01 0.00 0.09 0.00 0.00 57.88 56.73 1wub h LEU 31 Cb 1.21 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.79 1wub h LEU 31 CO 0.67 1.52 0.17 -0.94 0.09 0.00 0.00 178.44 179.95 1wub s SER 32 N -6.89 -0.37 -0.02 -0.43 1.04 -1.11 -4.84 113.70 101.08 1wub s SER 32 Ca -0.22 -0.36 -0.30 0.00 0.48 0.00 0.00 55.95 55.55 1wub s SER 32 Cb 0.04 0.65 0.11 0.00 0.10 0.00 0.00 66.02 66.92 1wub s SER 32 CO 0.71 -1.14 1.29 -0.83 0.98 0.00 0.00 173.24 174.26 1wub s GLY 33 N -2.85 -0.32 0.16 7.32 0.00 -1.26 -0.75 107.32 109.62 1wub s GLY 33 Ca 0.07 0.49 -0.13 0.00 0.00 0.00 0.00 44.72 45.16 1wub s GLY 33 CO -0.03 1.85 0.37 -1.35 0.00 0.00 0.00 173.10 173.94 1wub s SER 34 N -3.24 -0.08 -0.04 1.64 1.04 -0.22 -0.91 113.70 111.88 1wub s SER 34 Ca 0.19 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 55.98 1wub s SER 34 Cb 0.03 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.65 1wub s SER 34 CO -0.03 -0.93 -0.08 -0.69 0.98 0.00 0.00 173.24 172.49 1wub s VAL 35 N -3.91 0.73 -0.13 5.02 1.01 -0.29 -1.50 120.40 121.33 1wub s VAL 35 Ca 0.12 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 1wub s VAL 35 Cb 0.02 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1wub s VAL 35 CO -0.03 0.25 0.09 -0.70 0.00 0.00 0.00 175.10 174.71 1wub s GLU 36 N 0.54 3.49 0.08 2.72 2.12 0.41 -0.36 118.70 127.69 1wub s GLU 36 Ca -0.08 -0.24 0.08 0.00 0.36 0.00 0.00 54.97 55.09 1wub s GLU 36 Cb -0.12 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.12 1wub s GLU 36 CO 0.01 0.63 -0.19 0.95 -0.54 0.00 0.00 175.26 176.12 1wub s THR 37 N -0.64 2.73 0.63 -1.70 -4.23 0.01 -0.02 115.64 112.43 1wub s THR 37 Ca 0.12 -1.38 -0.11 0.00 -1.18 0.00 0.00 61.69 59.14 1wub s THR 37 Cb -0.12 -2.20 0.15 0.00 1.34 0.00 0.00 72.50 71.67 1wub s THR 37 CO 0.02 0.21 0.82 -0.90 -0.54 0.00 0.00 174.62 174.24 1wub n ASP 38 N 1.18 -0.10 -0.09 3.99 5.68 -0.28 -0.47 116.55 126.47 1wub n ASP 38 Ca -0.16 -1.27 0.08 0.00 -0.50 0.00 0.00 54.79 52.94 1wub n ASP 38 Cb 0.52 -0.64 0.44 0.00 -1.14 0.00 0.00 41.12 40.30 1wub n ASP 38 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1wub h GLU 39 N 0.00 0.54 0.00 0.11 4.39 -2.00 0.22 114.58 117.84 1wub h GLU 39 Ca -0.27 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1wub h GLU 39 Cb 0.75 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1wub h GLU 39 CO 0.19 0.35 0.00 0.00 -1.16 0.00 0.00 179.01 178.39 1wub n ALA 40 N -2.49 2.35 -1.13 3.43 0.00 -1.26 -4.91 120.51 116.50 1wub n ALA 40 Ca 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 1wub n ALA 40 Cb 0.24 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 1wub n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wub n GLY 41 N 0.73 0.58 3.77 0.00 0.00 0.78 -5.03 105.19 106.02 1wub n GLY 41 Ca 0.15 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 1wub n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wub s ARG 42 N -2.34 4.29 0.19 1.61 0.52 -1.26 -4.79 118.95 117.17 1wub s ARG 42 Ca 0.00 0.69 -0.32 0.00 -0.52 0.00 0.00 55.73 55.58 1wub s ARG 42 Cb 0.00 -3.34 -0.11 0.00 0.52 0.00 0.00 34.95 32.02 1wub s ARG 42 CO 0.00 0.38 1.69 -1.25 0.02 0.00 0.00 175.30 176.14 1wub s PRO 43 N -0.22 4.15 -0.07 3.54 0.04 -1.26 -1.12 135.00 140.05 1wub s PRO 43 Ca 0.30 2.54 0.07 0.00 0.04 0.00 0.00 61.00 63.95 1wub s PRO 43 Cb -0.18 -3.14 -0.10 0.00 0.04 0.00 0.00 34.50 31.12 1wub s PRO 43 CO 0.16 -0.72 0.03 -0.89 0.04 0.00 0.00 177.00 175.63 1wub n ILE 44 N 4.05 0.51 -3.85 0.56 2.08 0.98 -4.86 119.36 118.83 1wub n ILE 44 Ca 0.15 -0.32 -0.12 0.00 0.56 0.00 0.00 62.75 63.02 1wub n ILE 44 Cb 0.36 -0.76 -0.13 0.00 -0.75 0.00 0.00 39.64 38.36 1wub n ILE 44 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 1wub s GLN 45 N -2.20 0.11 -0.03 0.38 2.00 -1.12 -4.49 119.66 114.31 1wub s GLN 45 Ca -0.04 0.07 -0.03 0.00 -2.00 0.00 0.00 55.36 53.37 1wub s GLN 45 Cb 0.02 0.05 0.01 0.00 0.80 0.00 0.00 33.01 33.89 1wub s GLN 45 CO 0.31 -0.01 0.08 0.14 -0.50 0.00 0.00 175.29 175.31 1wub s VAL 46 N -0.04 0.01 0.01 1.34 -7.23 -1.26 -0.45 120.40 112.78 1wub s VAL 46 Ca -0.01 -0.07 -0.02 0.00 -1.81 0.00 0.00 61.98 60.07 1wub s VAL 46 Cb -0.01 -0.15 -0.01 0.00 0.56 0.00 0.00 36.38 36.77 1wub s VAL 46 CO 0.00 -0.04 0.03 -1.83 -0.31 0.00 0.00 175.10 172.95 1wub s GLU 47 N -0.08 0.32 0.01 4.82 4.04 -0.57 -1.17 118.70 126.08 1wub s GLU 47 Ca -0.01 -0.45 -0.11 0.00 0.04 0.00 0.00 54.97 54.44 1wub s GLU 47 Cb -0.01 0.12 0.01 0.00 0.02 0.00 0.00 34.13 34.27 1wub s GLU 47 CO 0.00 -0.06 0.22 0.00 -1.84 0.00 0.00 175.26 173.58 1wub s ALA 48 N -1.21 -0.51 -0.11 -0.84 0.00 0.00 -1.06 121.76 118.04 1wub s ALA 48 Ca -0.13 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.83 1wub s ALA 48 Cb -0.08 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1wub s ALA 48 CO -0.00 -0.29 -0.23 0.08 0.00 0.00 0.00 175.76 175.32 1wub s VAL 49 N -1.85 2.03 -0.03 0.00 1.01 0.07 -1.39 120.40 120.23 1wub s VAL 49 Ca -0.10 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 60.93 1wub s VAL 49 Cb -0.04 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1wub s VAL 49 CO 0.00 0.55 -0.15 -0.63 0.00 0.00 0.00 175.10 174.87 1wub s ILE 50 N 0.46 2.97 -0.57 2.22 1.01 0.39 0.12 121.20 127.81 1wub s ILE 50 Ca -0.16 -0.81 -0.28 0.00 0.00 0.00 0.00 60.65 59.39 1wub s ILE 50 Cb -0.17 -2.17 0.03 0.00 0.01 0.00 0.00 42.46 40.16 1wub s ILE 50 CO 0.06 0.55 1.20 -0.62 0.00 0.00 0.00 174.94 176.13 1wub s ASP 51 N -0.83 6.46 0.38 3.58 3.68 -0.11 -1.49 116.67 128.34 1wub s ASP 51 Ca 0.12 0.15 0.06 0.00 2.13 0.00 0.00 52.55 55.01 1wub s ASP 51 Cb -0.11 -2.55 0.77 0.00 -1.45 0.00 0.00 42.92 39.58 1wub s ASP 51 CO 0.01 -1.47 2.00 0.00 0.13 0.00 0.00 175.17 175.85 1wub h ALA 52 N 9.56 1.60 0.00 3.66 0.00 -1.32 -1.35 119.26 131.40 1wub h ALA 52 Ca -0.25 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1wub h ALA 52 Cb 1.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1wub h ALA 52 CO 1.18 0.33 0.00 0.00 0.00 0.00 0.00 179.25 180.76 1wub n ALA 53 N -2.47 1.84 1.25 0.00 0.00 -1.26 -2.77 120.51 117.10 1wub n ALA 53 Ca 0.03 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.54 1wub n ALA 53 Cb 0.11 -1.27 0.53 0.00 0.00 0.00 0.00 19.45 18.82 1wub n ALA 53 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wub n SER 54 N -1.41 0.43 -4.66 0.00 3.41 -0.51 -4.92 113.62 105.95 1wub n SER 54 Ca 0.06 -0.34 -0.46 0.00 -0.26 0.00 0.00 58.87 57.87 1wub n SER 54 Cb 0.17 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1wub n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wub n ILE 55 N -1.13 0.52 -3.70 -1.33 3.06 -1.11 -4.61 119.36 111.05 1wub n ILE 55 Ca 0.11 -0.13 -0.13 0.00 -2.50 0.00 0.00 62.75 60.10 1wub n ILE 55 Cb 0.30 -1.45 -0.13 0.00 0.54 0.00 0.00 39.64 38.90 1wub n ILE 55 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1wub s ALA 56 N 0.35 -0.51 0.00 1.51 0.00 -0.66 -4.92 121.76 117.54 1wub s ALA 56 Ca 0.73 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1wub s ALA 56 Cb -0.68 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1wub s ALA 56 CO 0.45 -0.37 0.59 0.25 0.00 0.00 0.00 175.76 176.67 1wub n THR 57 N 4.69 0.34 -0.63 0.00 -2.24 -1.26 -0.74 114.28 114.45 1wub n THR 57 Ca -0.17 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1wub n THR 57 Cb 0.52 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 1wub n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wub n GLY 58 N -0.17 0.67 2.71 3.38 0.00 -1.26 -4.82 105.19 105.70 1wub n GLY 58 Ca 0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 1wub n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wub s GLU 59 N -0.54 0.39 0.35 1.61 -6.30 -1.26 -5.06 118.70 107.88 1wub s GLU 59 Ca 0.00 -0.02 0.04 0.00 -2.50 0.00 0.00 54.97 52.50 1wub s GLU 59 Cb 0.00 -1.35 0.69 0.00 0.00 0.00 0.00 34.13 33.47 1wub s GLU 59 CO 0.00 -0.47 1.97 -1.00 0.02 0.00 0.00 175.26 175.79 1wub h PRO 60 N 8.35 0.79 -0.30 4.30 0.13 -1.98 -0.20 132.00 143.08 1wub h PRO 60 Ca -0.16 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.79 1wub h PRO 60 Cb 1.13 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 1wub h PRO 60 CO 0.27 0.52 -0.30 1.96 -0.23 0.00 0.00 178.00 180.22 1wub h GLN 61 N 0.81 0.73 -0.40 0.86 4.20 -1.99 0.67 115.11 120.00 1wub h GLN 61 Ca 0.29 -0.38 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1wub h GLN 61 Cb 0.14 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1wub h GLN 61 CO -0.09 1.00 0.14 -0.09 -0.67 0.00 0.00 178.83 179.13 1wub h ARG 62 N 0.48 0.61 -0.93 1.46 2.43 -1.85 -1.35 114.38 115.23 1wub h ARG 62 Ca 0.05 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1wub h ARG 62 Cb 0.87 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.28 1wub h ARG 62 CO 0.07 0.59 0.59 -0.44 -1.51 0.00 0.00 179.97 179.27 1wub h ASP 63 N 0.50 1.09 -0.68 -3.80 3.32 -0.97 0.50 116.42 116.38 1wub h ASP 63 Ca 0.13 -0.05 0.10 0.00 0.02 0.00 0.00 57.03 57.23 1wub h ASP 63 Cb 0.22 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 39.42 1wub h ASP 63 CO -0.01 0.81 0.30 1.23 -1.72 0.00 0.00 179.24 179.86 1wub h GLY 64 N 1.27 1.00 0.96 2.75 0.00 -0.51 -1.24 103.07 107.30 1wub h GLY 64 Ca 0.34 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.45 1wub h GLY 64 CO -0.07 0.00 0.11 0.84 0.00 0.00 0.00 176.54 177.42 1wub h HIS 65 N 0.50 0.76 -0.91 5.60 -0.00 -0.39 -1.08 115.15 119.63 1wub h HIS 65 Ca 0.35 -0.09 0.03 0.00 -0.00 0.00 0.00 60.37 60.65 1wub h HIS 65 Cb 0.42 -0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 27.56 1wub h HIS 65 CO -0.14 0.70 0.60 -0.07 -0.00 0.00 0.00 177.93 179.03 1wub h LEU 66 N 0.60 1.00 0.00 0.26 3.38 -0.58 -2.45 115.31 117.52 1wub h LEU 66 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1wub h LEU 66 Cb 0.33 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1wub h LEU 66 CO 0.00 0.70 -0.13 0.03 0.09 0.00 0.00 178.44 179.14 1wub h ARG 67 N 1.17 0.00 -7.30 1.13 3.08 -0.93 0.02 114.38 111.56 1wub h ARG 67 Ca 0.35 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.96 1wub h ARG 67 Cb -0.03 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.20 1wub h ARG 67 CO -0.10 0.00 0.13 -1.54 -1.07 0.00 0.00 179.97 177.39 1wub s SER 68 N -5.99 1.96 0.39 7.04 1.04 -0.44 -0.91 113.70 116.80 1wub s SER 68 Ca 0.06 1.21 0.27 0.00 0.48 0.00 0.00 55.95 57.97 1wub s SER 68 Cb 0.06 -1.89 1.43 0.00 0.10 0.00 0.00 66.02 65.72 1wub s SER 68 CO 0.68 -3.55 1.82 0.00 0.98 0.00 0.00 173.24 173.17 1wub h ALA 69 N -2.18 1.00 0.00 5.32 0.00 -1.90 0.14 119.26 121.64 1wub h ALA 69 Ca -0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1wub h ALA 69 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1wub h ALA 69 CO 0.55 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.55 1wub n ASP 70 N -2.45 0.67 0.00 0.00 9.92 -1.26 -4.70 116.55 118.73 1wub n ASP 70 Ca -0.01 0.60 0.00 0.00 -0.53 0.00 0.00 54.79 54.84 1wub n ASP 70 Cb 0.06 -0.76 0.00 0.00 -0.64 0.00 0.00 41.12 39.78 1wub n ASP 70 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1wub n PHE 71 N -2.16 0.00 0.23 1.24 -0.00 0.01 -4.89 117.46 111.88 1wub n PHE 71 Ca 0.05 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.59 1wub n PHE 71 Cb 0.35 0.00 0.51 0.00 -0.00 0.00 0.00 39.48 40.34 1wub n PHE 71 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1wub h LEU 72 N 0.00 0.00 -2.53 -2.13 3.38 -0.96 -3.48 115.31 109.60 1wub h LEU 72 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 1wub h LEU 72 Cb 0.00 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.80 1wub h LEU 72 CO 0.00 0.23 -0.90 1.57 0.09 0.00 0.00 178.44 179.43 1wub n HIS 73 N -3.51 -1.86 0.26 1.13 -0.00 0.27 -4.68 115.22 106.84 1wub n HIS 73 Ca -0.01 0.63 0.13 0.00 -0.00 0.00 0.00 57.72 58.47 1wub n HIS 73 Cb 0.39 -3.76 0.72 0.00 -0.00 0.00 0.00 29.99 27.34 1wub n HIS 73 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1wub h ALA 74 N 0.79 1.28 -0.78 1.57 0.00 -1.21 -0.14 119.26 120.76 1wub h ALA 74 Ca -0.64 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 1wub h ALA 74 Cb 1.36 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1wub h ALA 74 CO 0.53 0.15 0.36 0.93 0.00 0.00 0.00 179.25 181.23 1wub h GLU 75 N 0.00 1.14 0.09 0.00 4.39 -1.90 -2.90 114.58 115.40 1wub h GLU 75 Ca -0.00 -0.18 -0.27 0.00 0.34 0.00 0.00 59.36 59.25 1wub h GLU 75 Cb 0.34 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1wub h GLU 75 CO 0.02 0.89 -1.30 0.37 -1.16 0.00 0.00 179.01 177.83 1wub h GLN 76 N 1.11 0.19 -2.97 2.33 4.15 -1.66 -3.41 115.11 114.85 1wub h GLN 76 Ca 0.27 -0.32 -0.62 0.00 0.77 0.00 0.00 58.65 58.76 1wub h GLN 76 Cb 0.14 0.12 -0.41 0.00 0.21 0.00 0.00 27.48 27.54 1wub h GLN 76 CO -0.03 1.09 -0.68 0.71 -1.93 0.00 0.00 178.83 178.00 1wub s TYR 77 N -2.65 2.86 -0.58 3.99 1.51 -0.16 -4.97 117.35 117.35 1wub s TYR 77 Ca -0.04 -3.02 0.21 0.00 -1.01 0.00 0.00 57.07 53.21 1wub s TYR 77 Cb 0.08 -2.28 0.90 0.00 -0.11 0.00 0.00 41.96 40.55 1wub s TYR 77 CO 0.86 -0.65 1.64 -0.35 -1.11 0.00 0.00 175.55 175.94 1wub n PRO 78 N 2.46 0.15 -4.33 -1.71 -0.04 -1.10 -4.32 135.00 126.11 1wub n PRO 78 Ca 0.18 0.40 -0.23 0.00 -0.04 0.00 0.00 63.50 63.82 1wub n PRO 78 Cb 0.37 -1.80 -0.12 0.00 -0.04 0.00 0.00 33.50 31.92 1wub n PRO 78 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1wub s GLU 79 N -3.26 1.26 -0.10 0.54 2.02 -1.26 -0.93 118.70 116.96 1wub s GLU 79 Ca 0.04 -1.35 0.01 0.00 0.02 0.00 0.00 54.97 53.69 1wub s GLU 79 Cb 0.09 -1.43 -0.02 0.00 0.10 0.00 0.00 34.13 32.87 1wub s GLU 79 CO 0.35 0.31 -0.12 0.42 0.02 0.00 0.00 175.26 176.23 1wub s ILE 80 N -1.71 3.20 -0.03 -1.63 1.01 -0.56 -4.51 121.20 116.97 1wub s ILE 80 Ca 0.14 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.21 1wub s ILE 80 Cb -0.07 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 1wub s ILE 80 CO 0.06 0.55 -0.21 -0.60 0.00 0.00 0.00 174.94 174.74 1wub s ARG 81 N -0.07 1.88 -0.08 2.79 3.52 -0.66 -0.46 118.95 125.88 1wub s ARG 81 Ca -0.02 -0.74 0.05 0.00 -0.13 0.00 0.00 55.73 54.89 1wub s ARG 81 Cb -0.14 -1.72 -0.00 0.00 -1.56 0.00 0.00 34.95 31.53 1wub s ARG 81 CO 0.04 0.39 -0.23 0.12 -0.81 0.00 0.00 175.30 174.80 1wub s PHE 82 N -0.29 2.40 -0.04 5.12 5.36 -0.48 -0.49 117.98 129.55 1wub s PHE 82 Ca 0.03 -0.85 0.01 0.00 -0.96 0.00 0.00 56.93 55.16 1wub s PHE 82 Cb -0.10 -1.59 0.02 0.00 -0.34 0.00 0.00 43.02 41.01 1wub s PHE 82 CO 0.01 -0.31 -0.02 0.08 -1.46 0.00 0.00 175.22 173.52 1wub s VAL 83 N 0.12 0.38 0.51 3.12 1.01 -0.71 -0.82 120.40 124.01 1wub s VAL 83 Ca -0.11 -0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 1wub s VAL 83 Cb -0.16 -0.45 -0.07 0.00 0.00 0.00 0.00 36.38 35.70 1wub s VAL 83 CO 0.06 0.20 1.04 -0.94 0.00 0.00 0.00 175.10 175.46 1wub s SER 84 N 1.06 6.22 -0.00 3.32 1.04 -0.32 -0.18 113.70 124.85 1wub s SER 84 Ca -0.09 1.90 0.01 0.00 0.48 0.00 0.00 55.95 58.25 1wub s SER 84 Cb -0.14 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.42 1wub s SER 84 CO -0.01 -0.87 0.02 0.35 0.98 0.00 0.00 173.24 173.71 1wub n THR 85 N -1.22 0.01 -3.64 2.02 -2.24 0.34 -4.80 114.28 104.74 1wub n THR 85 Ca 0.09 -0.02 -0.08 0.00 -2.27 0.00 0.00 64.05 61.77 1wub n THR 85 Cb 0.53 0.31 -0.07 0.00 -2.10 0.00 0.00 70.33 68.99 1wub n THR 85 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1wub s GLN 86 N -2.05 0.70 -0.17 -0.78 -0.44 -1.08 -5.01 119.66 110.84 1wub s GLN 86 Ca -0.00 1.15 0.00 0.00 -2.50 0.00 0.00 55.36 54.01 1wub s GLN 86 Cb 0.00 0.17 0.01 0.00 -1.64 0.00 0.00 33.01 31.55 1wub s GLN 86 CO 0.03 -0.14 -0.17 0.42 0.50 0.00 0.00 175.29 175.93 1wub s ILE 87 N 1.40 2.40 -0.28 -2.34 1.01 -1.26 -0.69 121.20 121.44 1wub s ILE 87 Ca -0.08 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 59.64 1wub s ILE 87 Cb -0.05 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 1wub s ILE 87 CO -0.16 0.52 0.12 -0.70 0.00 0.00 0.00 174.94 174.72 1wub s GLU 88 N 1.08 3.47 0.16 2.79 2.12 0.03 -4.96 118.70 123.39 1wub s GLU 88 Ca -0.00 -0.61 -0.31 0.00 0.36 0.00 0.00 54.97 54.41 1wub s GLU 88 Cb -0.14 -3.46 -0.08 0.00 0.26 0.00 0.00 34.13 30.71 1wub s GLU 88 CO -0.06 -0.32 1.34 -2.14 -0.54 0.00 0.00 175.26 173.55 1wub s PRO 89 N 1.61 4.36 0.00 4.30 0.02 -1.26 -0.96 135.00 143.07 1wub s PRO 89 Ca 0.05 2.06 0.17 0.00 0.02 0.00 0.00 61.00 63.30 1wub s PRO 89 Cb -0.16 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 31.10 1wub s PRO 89 CO 0.05 -0.33 0.87 1.28 -0.33 0.00 0.00 177.00 178.53 1wub n LEU 90 N 3.23 1.53 0.00 -5.54 4.77 0.01 -4.93 117.00 116.07 1wub n LEU 90 Ca 0.08 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 1wub n LEU 90 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1wub n LEU 90 CO 0.58 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1wub n GLY 91 N 1.25 2.80 7.00 -0.72 0.00 -1.24 -4.94 105.19 109.34 1wub n GLY 91 Ca 0.06 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1wub n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wub n GLY 92 N 1.01 1.74 1.48 -0.02 0.00 -1.26 -1.99 105.19 106.15 1wub n GLY 92 Ca 0.00 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.56 1wub n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wub n ASN 93 N 3.86 4.35 -4.86 1.61 6.94 -1.26 -4.96 115.26 120.93 1wub n ASN 93 Ca 0.00 -2.29 -0.37 0.00 -0.02 0.00 0.00 54.58 51.90 1wub n ASN 93 Cb 0.00 -0.54 -0.06 0.00 -2.36 0.00 0.00 39.78 36.82 1wub n ASN 93 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1wub s ARG 94 N -1.59 3.71 -0.03 -3.83 1.81 -0.84 -1.00 118.95 117.18 1wub s ARG 94 Ca 0.49 0.15 -0.04 0.00 -1.72 0.00 0.00 55.73 54.61 1wub s ARG 94 Cb 0.29 -3.16 0.01 0.00 -0.45 0.00 0.00 34.95 31.64 1wub s ARG 94 CO 0.27 0.70 0.10 0.71 -0.68 0.00 0.00 175.30 176.39 1wub s TYR 95 N -1.14 -0.07 -0.24 -0.53 1.51 -0.61 -0.81 117.35 115.46 1wub s TYR 95 Ca 0.23 0.18 -0.09 0.00 -1.01 0.00 0.00 57.07 56.38 1wub s TYR 95 Cb -0.14 0.01 -0.04 0.00 -0.11 0.00 0.00 41.96 41.68 1wub s TYR 95 CO 0.12 -0.09 0.11 0.50 -1.11 0.00 0.00 175.55 175.08 1wub s ARG 96 N -0.19 3.85 -0.26 -0.62 3.52 -0.13 -1.20 118.95 123.92 1wub s ARG 96 Ca -0.03 -0.38 -0.05 0.00 -0.13 0.00 0.00 55.73 55.14 1wub s ARG 96 Cb -0.02 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 1wub s ARG 96 CO 0.00 -0.07 0.02 0.42 -0.81 0.00 0.00 175.30 174.86 1wub s ILE 97 N 1.34 3.64 0.02 4.11 1.01 0.08 -0.79 121.20 130.62 1wub s ILE 97 Ca 0.06 -0.62 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 1wub s ILE 97 Cb -0.15 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.48 1wub s ILE 97 CO 0.05 0.24 0.35 -1.10 0.00 0.00 0.00 174.94 174.48 1wub s GLN 98 N 1.48 3.74 0.26 2.79 -1.52 0.14 -0.42 119.66 126.13 1wub s GLN 98 Ca 0.04 0.18 -0.14 0.00 -1.95 0.00 0.00 55.36 53.48 1wub s GLN 98 Cb -0.16 -3.11 0.05 0.00 -0.22 0.00 0.00 33.01 29.57 1wub s GLN 98 CO -0.00 0.65 0.73 0.41 -0.25 0.00 0.00 175.29 176.83 1wub n GLY 99 N 1.38 0.99 3.28 3.09 0.00 -0.47 -0.51 105.19 112.95 1wub n GLY 99 Ca -0.12 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 1wub n GLY 99 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wub s ASN 100 N -2.83 3.73 -0.18 1.61 0.01 0.75 -0.51 114.94 117.52 1wub s ASN 100 Ca 0.15 -0.45 -0.02 0.00 -0.71 0.00 0.00 52.86 51.83 1wub s ASN 100 Cb -0.03 -1.57 -0.01 0.00 0.41 0.00 0.00 41.25 40.04 1wub s ASN 100 CO 0.08 0.10 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.47 1wub s LEU 101 N 0.75 2.87 -0.24 0.60 2.96 0.10 -1.74 118.68 123.98 1wub s LEU 101 Ca -0.06 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 53.43 1wub s LEU 101 Cb -0.15 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1wub s LEU 101 CO 0.01 0.07 0.10 -0.89 -1.32 0.00 0.00 176.35 174.32 1wub s THR 102 N 0.93 4.63 -0.08 3.68 2.01 0.36 -1.43 115.64 125.74 1wub s THR 102 Ca -0.01 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 61.94 1wub s THR 102 Cb -0.15 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.22 1wub s THR 102 CO 0.00 0.34 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.54 1wub s ILE 103 N 1.39 1.07 0.00 1.82 1.01 -0.30 -1.65 121.20 124.54 1wub s ILE 103 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1wub s ILE 103 Cb -0.15 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.31 1wub s ILE 103 CO 0.05 0.35 0.00 0.54 0.00 0.00 0.00 174.94 175.88 1wub n ARG 104 N 4.09 0.00 -0.15 2.79 1.74 -1.26 -1.85 116.66 122.02 1wub n ARG 104 Ca -0.21 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 56.99 1wub n ARG 104 Cb 0.51 0.00 0.25 0.00 -1.02 0.00 0.00 32.46 32.21 1wub n ARG 104 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1wub n ASP 105 N 5.37 2.92 -4.56 0.55 5.75 -1.26 -4.94 116.55 120.38 1wub n ASP 105 Ca 0.00 -1.92 -0.34 0.00 -0.01 0.00 0.00 54.79 52.53 1wub n ASP 105 Cb 0.00 -0.20 -0.11 0.00 -1.03 0.00 0.00 41.12 39.78 1wub n ASP 105 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1wub s ILE 106 N -1.61 3.97 -0.12 2.12 1.01 -0.77 -5.10 121.20 120.70 1wub s ILE 106 Ca 0.36 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.69 1wub s ILE 106 Cb 0.21 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.98 1wub s ILE 106 CO 0.30 0.53 -0.22 -0.89 0.00 0.00 0.00 174.94 174.66 1wub s THR 107 N -0.11 2.15 0.07 2.92 2.01 -1.26 -1.15 115.64 120.27 1wub s THR 107 Ca 0.03 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1wub s THR 107 Cb -0.13 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 1wub s THR 107 CO 0.02 0.55 -0.08 -0.54 -0.69 0.00 0.00 174.62 173.89 1wub s LYS 108 N 0.55 0.68 0.44 4.92 -0.14 -0.51 -4.93 119.74 120.75 1wub s LYS 108 Ca -0.13 -1.00 -0.24 0.00 -1.36 0.00 0.00 55.97 53.24 1wub s LYS 108 Cb -0.17 -0.31 -0.08 0.00 -1.68 0.00 0.00 37.83 35.59 1wub s LYS 108 CO 0.04 0.04 1.22 -1.25 -0.76 0.00 0.00 175.35 174.64 1wub s PRO 109 N -2.46 3.80 0.05 -1.68 0.04 -1.26 -0.72 135.00 132.77 1wub s PRO 109 Ca -0.01 1.93 -0.00 0.00 0.04 0.00 0.00 61.00 62.96 1wub s PRO 109 Cb -0.04 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 1wub s PRO 109 CO -0.01 -0.56 -0.04 0.54 0.04 0.00 0.00 177.00 176.97 1wub s VAL 110 N -1.42 0.28 -0.07 -0.36 0.11 0.34 -4.84 120.40 114.43 1wub s VAL 110 Ca 0.61 -1.53 0.05 0.00 -2.93 0.00 0.00 61.98 58.19 1wub s VAL 110 Cb -0.33 -1.13 -0.01 0.00 -1.53 0.00 0.00 36.38 33.38 1wub s VAL 110 CO 0.40 -0.80 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.25 1wub s THR 111 N -3.03 2.21 -0.04 5.04 2.01 -1.26 -1.37 115.64 119.20 1wub s THR 111 Ca 0.00 -1.00 0.04 0.00 0.31 0.00 0.00 61.69 61.05 1wub s THR 111 Cb 0.01 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 1wub s THR 111 CO -0.06 0.57 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.51 1wub s LEU 112 N -0.08 2.61 -0.26 4.42 1.02 0.44 -4.52 118.68 122.31 1wub s LEU 112 Ca -0.06 -0.25 -0.08 0.00 0.02 0.00 0.00 54.13 53.76 1wub s LEU 112 Cb -0.14 -1.52 -0.03 0.00 0.02 0.00 0.00 46.19 44.52 1wub s LEU 112 CO 0.05 0.34 0.11 -1.61 0.02 0.00 0.00 176.35 175.25 1wub s GLU 113 N -0.74 3.68 0.14 1.70 0.41 -0.38 -0.74 118.70 122.77 1wub s GLU 113 Ca 0.11 -0.47 0.10 0.00 -0.41 0.00 0.00 54.97 54.30 1wub s GLU 113 Cb -0.10 -3.44 -0.04 0.00 -1.78 0.00 0.00 34.13 28.77 1wub s GLU 113 CO 0.00 -0.22 -0.24 0.00 -0.49 0.00 0.00 175.26 174.31 1wub s ALA 114 N 1.65 2.26 -0.06 5.21 0.00 -0.34 -0.78 121.76 129.69 1wub s ALA 114 Ca 0.06 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 50.59 1wub s ALA 114 Cb -0.16 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.65 1wub s ALA 114 CO 0.06 0.45 -0.15 -1.21 0.00 0.00 0.00 175.76 174.91 1wub s GLU 115 N -2.25 1.80 -0.01 0.00 2.02 0.28 -1.58 118.70 118.97 1wub s GLU 115 Ca 0.14 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 54.67 1wub s GLU 115 Cb -0.09 -1.50 -0.03 0.00 0.10 0.00 0.00 34.13 32.61 1wub s GLU 115 CO 0.07 0.12 -0.16 0.14 0.02 0.00 0.00 175.26 175.45 1wub s VAL 116 N 0.39 2.95 0.63 2.63 -7.23 -0.17 -1.54 120.40 118.06 1wub s VAL 116 Ca -0.11 -0.93 -0.05 0.00 -1.81 0.00 0.00 61.98 59.09 1wub s VAL 116 Cb -0.14 -2.20 0.04 0.00 0.56 0.00 0.00 36.38 34.64 1wub s VAL 116 CO 0.04 0.47 0.92 -0.94 -0.31 0.00 0.00 175.10 175.28 1wub s SER 117 N -1.06 5.17 0.42 4.85 1.04 0.49 -4.79 113.70 119.82 1wub s SER 117 Ca 0.13 0.43 -0.24 0.00 0.48 0.00 0.00 55.95 56.76 1wub s SER 117 Cb -0.11 -1.25 -0.09 0.00 0.10 0.00 0.00 66.02 64.67 1wub s SER 117 CO 0.03 -1.32 1.07 0.00 0.98 0.00 0.00 173.24 174.01 1wub s ALA 118 N -3.05 3.05 0.57 5.32 0.00 -1.26 -4.66 121.76 121.74 1wub s ALA 118 Ca 0.57 0.74 -0.17 0.00 0.00 0.00 0.00 51.96 53.11 1wub s ALA 118 Cb -0.11 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1wub s ALA 118 CO 0.43 -0.31 1.06 -1.25 0.00 0.00 0.00 175.76 175.69 1wub s PRO 119 N -2.58 3.40 0.31 0.00 0.04 -1.26 -4.68 135.00 130.22 1wub s PRO 119 Ca 0.60 1.25 0.07 0.00 0.04 0.00 0.00 61.00 62.95 1wub s PRO 119 Cb -0.23 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.21 1wub s PRO 119 CO 0.29 -0.75 -0.05 0.96 0.04 0.00 0.00 177.00 177.48 1wub s ILE 120 N -2.35 1.78 -0.24 0.56 -5.25 0.13 -4.95 121.20 110.88 1wub s ILE 120 Ca 0.65 -2.13 -0.16 0.00 -0.99 0.00 0.00 60.65 58.02 1wub s ILE 120 Cb -0.16 -2.56 -0.03 0.00 2.95 0.00 0.00 42.46 42.65 1wub s ILE 120 CO 0.34 -0.23 0.43 -0.54 -1.79 0.00 0.00 174.94 173.15 1wub s LYS 121 N -3.71 4.09 0.71 0.37 1.02 -1.26 -1.10 119.74 119.86 1wub s LYS 121 Ca 0.31 0.19 -0.08 0.00 0.02 0.00 0.00 55.97 56.41 1wub s LYS 121 Cb 0.04 -3.62 0.06 0.00 -0.52 0.00 0.00 37.83 33.79 1wub s LYS 121 CO 0.14 -0.23 1.04 0.16 -0.92 0.00 0.00 175.35 175.55 1wub s ASP 122 N 1.42 4.88 0.00 2.83 3.84 0.24 -4.93 116.67 124.95 1wub s ASP 122 Ca 0.18 0.60 0.05 0.00 -0.00 0.00 0.00 52.55 53.39 1wub s ASP 122 Cb -0.15 -1.27 0.32 0.00 -1.38 0.00 0.00 42.92 40.43 1wub s ASP 122 CO 0.09 -1.59 0.71 -2.65 -0.00 0.00 0.00 175.17 171.74 1wub n PRO 123 N -2.97 0.23 -0.64 2.11 -0.02 -1.26 -3.27 135.00 129.18 1wub n PRO 123 Ca 0.08 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.61 1wub n PRO 123 Cb 0.60 -1.35 0.11 0.00 -0.02 0.00 0.00 33.50 32.84 1wub n PRO 123 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1wub n TRP 124 N -0.85 0.00 0.00 6.00 2.14 -1.26 -5.01 117.44 118.46 1wub n TRP 124 Ca 0.04 -0.89 0.00 0.00 2.07 0.00 0.00 57.50 58.72 1wub n TRP 124 Cb 0.02 -0.17 0.00 0.00 -0.81 0.00 0.00 31.31 30.35 1wub n TRP 124 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1wub n GLY 125 N -0.66 3.09 3.80 -1.67 0.00 -1.20 -5.06 105.19 103.49 1wub n GLY 125 Ca 0.12 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 1wub n GLY 125 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wub s MET 126 N 0.00 3.33 0.19 1.61 -1.94 -1.26 -4.18 119.30 117.04 1wub s MET 126 Ca 0.00 1.21 -0.29 0.00 -1.71 0.00 0.00 55.69 54.90 1wub s MET 126 Cb 0.00 -2.03 -0.08 0.00 2.01 0.00 0.00 34.83 34.73 1wub s MET 126 CO 0.00 -0.80 0.90 -0.65 -0.01 0.00 0.00 175.02 174.45 1wub s GLN 127 N -4.06 4.74 -0.03 2.03 -0.21 -0.39 -0.59 119.66 121.15 1wub s GLN 127 Ca 0.64 1.38 -0.03 0.00 0.02 0.00 0.00 55.36 57.37 1wub s GLN 127 Cb -0.16 -3.30 0.01 0.00 1.00 0.00 0.00 33.01 30.56 1wub s GLN 127 CO 0.37 0.45 0.08 0.50 -2.12 0.00 0.00 175.29 174.57 1wub s ARG 128 N -0.86 0.09 0.01 2.91 3.52 -0.26 -1.50 118.95 122.87 1wub s ARG 128 Ca 0.41 0.12 -0.00 0.00 -0.13 0.00 0.00 55.73 56.13 1wub s ARG 128 Cb -0.24 0.03 -0.01 0.00 -1.56 0.00 0.00 34.95 33.16 1wub s ARG 128 CO 0.30 -0.02 -0.02 0.54 -0.81 0.00 0.00 175.30 175.29 1wub s VAL 129 N 0.10 0.08 0.32 7.11 0.11 -0.49 0.17 120.40 127.80 1wub s VAL 129 Ca -0.00 -0.66 0.10 0.00 -2.93 0.00 0.00 61.98 58.48 1wub s VAL 129 Cb -0.01 -0.20 -0.06 0.00 -1.53 0.00 0.00 36.38 34.58 1wub s VAL 129 CO -0.00 -0.36 -0.12 0.00 -3.33 0.00 0.00 175.10 171.29 1wub s ALA 130 N -1.07 2.81 0.05 1.54 0.00 -1.26 -0.52 121.76 123.31 1wub s ALA 130 Ca -0.12 -2.01 -0.21 0.00 0.00 0.00 0.00 51.96 49.63 1wub s ALA 130 Cb -0.07 -0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.02 1wub s ALA 130 CO -0.01 0.11 0.48 0.00 0.00 0.00 0.00 175.76 176.34 1wub s ALA 131 N -2.64 -1.20 0.07 0.00 0.00 -0.43 -0.38 121.76 117.18 1wub s ALA 131 Ca 0.31 0.48 0.07 0.00 0.00 0.00 0.00 51.96 52.82 1wub s ALA 131 Cb 0.01 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 1wub s ALA 131 CO 0.15 -0.49 -0.19 -1.54 0.00 0.00 0.00 175.76 173.69 1wub s SER 132 N -2.00 2.29 0.03 0.00 1.04 -0.59 -0.37 113.70 114.09 1wub s SER 132 Ca -0.05 -0.59 -0.11 0.00 0.48 0.00 0.00 55.95 55.68 1wub s SER 132 Cb -0.01 -0.15 0.01 0.00 0.10 0.00 0.00 66.02 65.98 1wub s SER 132 CO -0.02 0.07 0.24 0.00 0.98 0.00 0.00 173.24 174.51 1wub s ALA 133 N -1.00 -0.53 0.13 5.32 0.00 -0.65 -0.56 121.76 124.47 1wub s ALA 133 Ca 0.05 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.98 1wub s ALA 133 Cb -0.09 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1wub s ALA 133 CO 0.03 -0.34 -0.09 -1.54 0.00 0.00 0.00 175.76 173.81 1wub s SER 134 N -1.87 1.62 -0.02 0.00 1.04 0.04 -0.16 113.70 114.34 1wub s SER 134 Ca -0.08 -1.01 -0.16 0.00 0.48 0.00 0.00 55.95 55.19 1wub s SER 134 Cb -0.02 0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.17 1wub s SER 134 CO -0.02 -0.36 0.72 0.61 0.98 0.00 0.00 173.24 175.17 1wub n GLY 135 N -0.15 0.35 3.18 7.32 0.00 -0.89 -1.25 105.19 113.76 1wub n GLY 135 Ca -0.11 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 1wub n GLY 135 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wub s GLN 136 N -2.01 0.59 0.11 1.61 0.00 -1.26 -0.73 119.66 117.97 1wub s GLN 136 Ca 0.17 -0.26 0.02 0.00 -0.00 0.00 0.00 55.36 55.30 1wub s GLN 136 Cb -0.00 0.25 -0.04 0.00 0.00 0.00 0.00 33.01 33.22 1wub s GLN 136 CO -0.01 -0.15 -0.07 0.96 0.00 0.00 0.00 175.29 176.02 1wub s ILE 137 N -1.31 0.82 -0.27 3.63 -4.36 -0.51 -4.80 121.20 114.39 1wub s ILE 137 Ca -0.14 -1.97 -0.08 0.00 -0.26 0.00 0.00 60.65 58.20 1wub s ILE 137 Cb -0.06 -1.74 -0.02 0.00 1.25 0.00 0.00 42.46 41.89 1wub s ILE 137 CO 0.03 -0.83 0.10 0.21 0.24 0.00 0.00 174.94 174.69 1wub s ASN 138 N -3.08 5.27 0.58 4.36 3.84 -1.26 -0.14 114.94 124.52 1wub s ASN 138 Ca 0.13 -0.37 0.32 0.00 0.21 0.00 0.00 52.86 53.16 1wub s ASN 138 Cb 0.05 -1.94 1.82 0.00 -0.55 0.00 0.00 41.25 40.62 1wub s ASN 138 CO -0.03 -0.10 2.22 0.08 -2.79 0.00 0.00 177.10 176.48 1wub h ARG 139 N 8.27 0.00 0.00 0.43 0.11 -1.55 -1.18 114.38 120.47 1wub h ARG 139 Ca -0.35 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.72 1wub h ARG 139 Cb 1.16 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.24 1wub h ARG 139 CO 0.59 0.03 -0.05 0.87 0.10 0.00 0.00 179.97 181.52 1wub h LYS 140 N 0.00 0.00 0.00 0.08 1.57 -1.80 -1.69 116.57 114.72 1wub h LYS 140 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1wub h LYS 140 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1wub h LYS 140 CO 0.00 0.05 -0.03 -0.44 -0.57 0.00 0.00 179.45 178.46 1wub h ASP 141 N 0.00 0.00 -0.39 0.86 3.32 -1.57 -1.06 116.42 117.57 1wub h ASP 141 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wub h ASP 141 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1wub h ASP 141 CO 0.01 0.03 0.00 0.79 -1.72 0.00 0.00 179.24 178.34 1wub n TRP 142 N -3.24 1.05 -2.54 4.55 8.01 -0.68 -4.95 117.44 119.65 1wub n TRP 142 Ca -0.02 -0.72 -0.21 0.00 -1.31 0.00 0.00 57.50 55.25 1wub n TRP 142 Cb 0.19 -0.25 -0.00 0.00 -2.01 0.00 0.00 31.31 29.23 1wub n TRP 142 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1wub n ASN 143 N 0.18 -5.86 -4.35 -0.99 3.02 -0.40 -4.92 115.26 101.94 1wub n ASN 143 Ca 0.21 -0.07 -0.46 0.00 -0.03 0.00 0.00 54.58 54.23 1wub n ASN 143 Cb 0.81 -4.85 -0.03 0.00 -0.61 0.00 0.00 39.78 35.10 1wub n ASN 143 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wub s LEU 144 N -6.16 6.20 0.33 3.41 1.43 -0.96 -5.01 118.68 117.92 1wub s LEU 144 Ca 0.06 -2.27 0.07 0.00 -1.03 0.00 0.00 54.13 50.97 1wub s LEU 144 Cb -0.03 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 1wub s LEU 144 CO 0.08 -0.78 0.41 0.42 0.23 0.00 0.00 176.35 176.71 1wub s THR 145 N 1.16 3.95 0.00 5.49 -4.23 -1.26 -4.14 115.64 116.61 1wub s THR 145 Ca 0.17 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1wub s THR 145 Cb -0.14 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1wub s THR 145 CO -0.05 -0.17 0.00 1.87 -0.54 0.00 0.00 174.62 175.73 1wub n TRP 146 N -1.54 0.00 -3.93 3.99 -0.00 -1.26 -4.98 117.44 109.72 1wub n TRP 146 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.38 1wub n TRP 146 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.89 1wub n TRP 146 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1wub s ASN 147 N -2.57 0.36 0.00 5.87 4.22 -1.26 -4.98 114.94 116.58 1wub s ASN 147 Ca 0.00 -1.25 0.00 0.00 -2.14 0.00 0.00 52.86 49.47 1wub s ASN 147 Cb 0.00 0.76 0.01 0.00 1.28 0.00 0.00 41.25 43.31 1wub s ASN 147 CO 0.00 -1.50 0.37 0.00 -2.04 0.00 0.00 177.10 173.92 1wub n GLN 148 N -0.54 0.01 -0.51 3.55 0.00 -1.26 -4.94 117.38 113.70 1wub n GLN 148 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 57.00 56.76 1wub n GLN 148 Cb 0.61 -1.35 -0.03 0.00 0.00 0.00 0.00 30.24 29.47 1wub n GLN 148 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1wub n VAL 149 N -0.85 0.06 -3.74 -0.39 3.14 -1.26 -5.01 118.33 110.28 1wub n VAL 149 Ca 0.00 -0.01 -0.13 0.00 -2.96 0.00 0.00 64.34 61.24 1wub n VAL 149 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 1wub n VAL 149 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1wub s LEU 150 N 0.09 0.44 0.00 6.55 2.96 -1.26 -4.89 118.68 122.56 1wub s LEU 150 Ca 0.30 0.78 0.00 0.00 -0.22 0.00 0.00 54.13 54.99 1wub s LEU 150 Cb -0.42 1.30 0.00 0.00 0.50 0.00 0.00 46.19 47.56 1wub s LEU 150 CO 0.19 -0.14 0.00 -0.62 -1.32 0.00 0.00 176.35 174.46 1wub n GLU 151 N 3.13 0.00 -0.06 1.98 1.02 -1.26 -4.86 120.64 120.59 1wub n GLU 151 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1wub n GLU 151 Cb 0.57 -0.10 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 1wub n GLU 151 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1wub n LEU 152 N -1.29 0.00 0.00 -4.62 4.77 -1.26 -4.83 117.00 109.77 1wub n LEU 152 Ca 0.00 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1wub n LEU 152 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1wub n LEU 152 CO 0.00 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1wub n GLY 153 N 0.00 1.71 3.03 -0.72 0.00 -1.26 -5.10 105.19 102.84 1wub n GLY 153 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1wub n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wub n ALA 154 N 0.00 -0.97 -3.09 4.61 0.00 -1.26 -4.88 120.51 114.93 1wub n ALA 154 Ca 0.00 -1.04 -0.31 0.00 0.00 0.00 0.00 53.44 52.09 1wub n ALA 154 Cb 0.00 -0.89 -0.17 0.00 0.00 0.00 0.00 19.45 18.39 1wub n ALA 154 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wub s LEU 155 N 0.44 2.06 0.11 0.00 1.43 -1.26 -4.02 118.68 117.44 1wub s LEU 155 Ca 0.37 -0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 52.76 1wub s LEU 155 Cb -0.06 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 1wub s LEU 155 CO 0.36 0.18 1.64 0.25 0.23 0.00 0.00 176.35 179.00 1wub h LEU 156 N 6.53 0.42 -7.89 1.79 5.85 -1.92 -3.12 115.31 116.97 1wub h LEU 156 Ca -0.24 -0.19 -0.59 0.00 0.84 0.00 0.00 57.88 57.71 1wub h LEU 156 Cb 1.22 -0.11 -0.36 0.00 0.37 0.00 0.00 40.66 41.78 1wub h LEU 156 CO 0.47 0.49 -0.83 -0.69 -0.34 0.00 0.00 178.44 177.54 1wub s VAL 157 N -5.47 1.48 0.82 1.05 1.01 -1.26 -0.04 120.40 117.99 1wub s VAL 157 Ca -0.13 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 1wub s VAL 157 Cb 0.09 -1.39 0.09 0.00 0.00 0.00 0.00 36.38 35.16 1wub s VAL 157 CO 0.73 0.44 1.13 -0.83 0.00 0.00 0.00 175.10 176.57 1wub s GLY 158 N 1.42 1.79 0.06 4.51 0.00 -0.32 -4.97 107.32 109.82 1wub s GLY 158 Ca 0.03 0.50 -0.01 0.00 0.00 0.00 0.00 44.72 45.23 1wub s GLY 158 CO -0.09 0.88 1.08 0.83 0.00 0.00 0.00 173.10 175.81 1wub h GLU 159 N -1.27 0.20 -6.43 2.90 5.08 -1.96 -3.45 114.58 109.65 1wub h GLU 159 Ca -0.44 -0.34 -0.53 0.00 -1.00 0.00 0.00 59.36 57.05 1wub h GLU 159 Cb 1.26 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 1wub h GLU 159 CO 0.47 1.11 0.35 -2.00 -1.00 0.00 0.00 179.01 177.95 1wub s GLU 160 N -2.65 4.59 -0.31 2.33 2.12 -1.26 -1.39 118.70 122.12 1wub s GLU 160 Ca -0.04 1.40 -0.01 0.00 0.36 0.00 0.00 54.97 56.68 1wub s GLU 160 Cb 0.08 -3.43 0.06 0.00 0.26 0.00 0.00 34.13 31.10 1wub s GLU 160 CO 0.86 0.04 0.01 0.08 -0.54 0.00 0.00 175.26 175.71 1wub s VAL 161 N 0.69 2.84 0.11 3.70 1.01 0.80 -4.44 120.40 125.11 1wub s VAL 161 Ca 0.50 -1.60 -0.21 0.00 0.00 0.00 0.00 61.98 60.67 1wub s VAL 161 Cb -0.21 -2.72 -0.07 0.00 0.00 0.00 0.00 36.38 33.37 1wub s VAL 161 CO 0.28 -0.22 0.63 -0.54 0.00 0.00 0.00 175.10 175.25 1wub s LYS 162 N 1.18 4.29 0.04 2.72 1.02 -0.80 -1.43 119.74 126.76 1wub s LYS 162 Ca -0.03 0.84 -0.03 0.00 0.02 0.00 0.00 55.97 56.78 1wub s LYS 162 Cb -0.20 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 1wub s LYS 162 CO -0.03 0.60 0.02 -0.59 -0.92 0.00 0.00 175.35 174.43 1wub s PHE 163 N -1.16 0.33 -0.03 3.18 -0.12 0.09 -0.82 117.98 119.45 1wub s PHE 163 Ca 0.32 -0.72 0.02 0.00 -0.05 0.00 0.00 56.93 56.50 1wub s PHE 163 Cb -0.20 -0.24 0.01 0.00 -0.63 0.00 0.00 43.02 41.95 1wub s PHE 163 CO 0.21 -0.33 -0.09 -0.80 -0.05 0.00 0.00 175.22 174.16 1wub s ASN 164 N -2.27 1.21 -0.07 1.98 0.01 0.75 -2.09 114.94 114.47 1wub s ASN 164 Ca -0.03 -0.19 0.03 0.00 -0.71 0.00 0.00 52.86 51.96 1wub s ASN 164 Cb 0.00 -0.37 -0.02 0.00 0.41 0.00 0.00 41.25 41.27 1wub s ASN 164 CO -0.06 0.05 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.67 1wub s LEU 165 N 0.30 2.68 -0.18 0.60 1.43 0.78 -1.07 118.68 123.21 1wub s LEU 165 Ca -0.05 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1wub s LEU 165 Cb -0.10 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.57 1wub s LEU 165 CO 0.01 0.29 -0.15 -1.61 0.23 0.00 0.00 176.35 175.12 1wub s GLU 166 N -0.39 3.16 -0.01 1.70 0.41 -0.38 -1.64 118.70 121.55 1wub s GLU 166 Ca 0.04 -0.76 0.07 0.00 -0.41 0.00 0.00 54.97 53.92 1wub s GLU 166 Cb -0.12 -2.69 -0.02 0.00 -1.78 0.00 0.00 34.13 29.52 1wub s GLU 166 CO 0.02 -0.13 -0.23 0.08 -0.49 0.00 0.00 175.26 174.52 1wub s VAL 167 N 1.17 1.78 -0.04 2.63 1.01 0.50 -0.17 120.40 127.27 1wub s VAL 167 Ca 0.01 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 61.05 1wub s VAL 167 Cb -0.14 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 1wub s VAL 167 CO -0.06 0.48 -0.20 -1.61 0.00 0.00 0.00 175.10 173.71 1wub s GLU 168 N -0.60 1.88 0.10 2.72 2.02 -1.15 -1.31 118.70 122.35 1wub s GLU 168 Ca 0.09 -0.71 0.05 0.00 0.02 0.00 0.00 54.97 54.41 1wub s GLU 168 Cb -0.09 -1.68 -0.04 0.00 0.10 0.00 0.00 34.13 32.43 1wub s GLU 168 CO -0.01 0.34 -0.12 0.00 0.02 0.00 0.00 175.26 175.50 1wub s ALA 169 N -0.19 1.24 0.03 5.21 0.00 0.32 -0.15 121.76 128.21 1wub s ALA 169 Ca 0.00 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 50.80 1wub s ALA 169 Cb -0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1wub s ALA 169 CO 0.01 0.04 -0.09 0.08 0.00 0.00 0.00 175.76 175.80 1wub s VAL 170 N -2.17 0.64 0.06 0.00 1.01 0.01 -1.40 120.40 118.55 1wub s VAL 170 Ca 0.05 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1wub s VAL 170 Cb -0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1wub s VAL 170 CO 0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 175.10 174.85 1wub s ALA 171 N -0.92 0.87 0.79 5.51 0.00 -0.56 -0.54 121.76 126.92 1wub s ALA 171 Ca -0.04 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.83 1wub s ALA 171 Cb -0.07 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.11 1wub s ALA 171 CO 0.00 0.02 1.05 -2.30 0.00 0.00 0.00 175.76 174.53 1wub n PRO 172 N 1.14 0.23 0.00 0.00 -0.02 -1.26 -1.26 135.00 133.83 1wub n PRO 172 Ca -0.20 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1wub n PRO 172 Cb 0.55 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1wub n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wub n ALA 173 N -3.08 0.00 0.47 3.55 0.00 -1.26 -4.06 120.51 116.13 1wub n ALA 173 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1wub n ALA 173 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1wub n ALA 173 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wub n PRO 174 N 0.00 0.47 -3.36 0.00 -0.04 -1.26 -4.59 135.00 126.22 1wub n PRO 174 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1wub n PRO 174 Cb 0.00 -1.24 -0.08 0.00 -0.04 0.00 0.00 33.50 32.14 1wub n PRO 174 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wub s VAL 175 N -0.62 -0.53 0.00 0.52 1.01 -1.26 -5.23 120.40 114.30 1wub s VAL 175 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1wub s VAL 175 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1wub s VAL 175 CO 0.00 -0.30 0.42 0.00 0.00 0.00 0.00 175.10 175.21