#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wkw s VAL 28 N 0.00 2.21 0.80 6.31 -7.23 -1.26 -5.12 120.40 116.12 1wkw s VAL 28 Ca 0.00 -1.13 -0.12 0.00 -1.81 0.00 0.00 61.98 58.92 1wkw s VAL 28 Cb 0.00 -2.34 0.07 0.00 0.56 0.00 0.00 36.38 34.67 1wkw s VAL 28 CO 0.00 0.00 1.17 0.00 -0.31 0.00 0.00 175.10 175.96 1wkw s ALA 29 N -2.63 2.63 -0.21 1.32 0.00 -1.26 -5.02 121.76 116.60 1wkw s ALA 29 Ca 0.54 -0.60 -0.21 0.00 0.00 0.00 0.00 51.96 51.69 1wkw s ALA 29 Cb -0.05 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 1wkw s ALA 29 CO 0.34 -1.64 0.65 1.21 0.00 0.00 0.00 175.76 176.31 1wkw s ASN 30 N -4.52 6.69 0.15 0.00 3.04 -1.26 -5.00 114.94 114.03 1wkw s ASN 30 Ca 0.62 0.84 -0.26 0.00 0.04 0.00 0.00 52.86 54.10 1wkw s ASN 30 Cb -0.11 -2.36 -0.00 0.00 -1.54 0.00 0.00 41.25 37.24 1wkw s ASN 30 CO 0.50 -0.30 1.60 1.55 -3.04 0.00 0.00 177.10 177.40 1wkw h PRO 31 N 7.55 -0.35 -0.35 0.43 0.13 -1.97 -1.84 132.00 135.60 1wkw h PRO 31 Ca -0.30 0.02 0.10 0.00 -0.87 0.00 0.00 66.00 64.95 1wkw h PRO 31 Cb 1.14 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1wkw h PRO 31 CO 0.78 -0.23 0.57 1.49 -0.23 0.00 0.00 178.00 180.38 1wkw h GLU 32 N -0.36 0.00 0.08 0.86 4.57 -1.95 0.34 114.58 118.12 1wkw h GLU 32 Ca 0.12 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 58.03 1wkw h GLU 32 Cb 0.56 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1wkw h GLU 32 CO -0.44 0.00 -1.14 0.45 -1.18 0.00 0.00 179.01 176.70 1wkw h HIS 33 N 0.00 0.72 0.00 0.92 3.86 -1.75 -3.42 115.15 115.48 1wkw h HIS 33 Ca 0.17 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1wkw h HIS 33 Cb 1.31 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.72 1wkw h HIS 33 CO 0.00 1.31 -0.60 2.48 0.86 0.00 0.00 177.93 181.98 1wkw n TYR 34 N -3.70 0.00 -2.97 2.45 0.18 0.00 -5.07 117.16 108.06 1wkw n TYR 34 Ca -0.10 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.32 1wkw n TYR 34 Cb 0.95 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.84 1wkw n TYR 34 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 1wkw s ILE 35 N -1.20 4.42 0.82 -3.48 -5.25 0.98 -5.04 121.20 112.44 1wkw s ILE 35 Ca 0.00 1.50 -0.11 0.00 -0.99 0.00 0.00 60.65 61.05 1wkw s ILE 35 Cb 0.00 -3.91 0.08 0.00 2.95 0.00 0.00 42.46 41.58 1wkw s ILE 35 CO 0.00 0.16 1.09 -0.54 -1.79 0.00 0.00 174.94 173.86 1wkw s LYS 36 N -2.05 1.91 -0.74 0.37 1.02 -1.26 -4.79 119.74 114.20 1wkw s LYS 36 Ca 0.46 0.90 -0.22 0.00 0.02 0.00 0.00 55.97 57.13 1wkw s LYS 36 Cb -0.17 -1.88 0.08 0.00 -0.52 0.00 0.00 37.83 35.34 1wkw s LYS 36 CO 0.22 -1.81 1.05 -1.01 -0.92 0.00 0.00 175.35 172.88 1wkw s HIS 37 N -2.99 2.74 0.46 3.18 3.76 -1.26 -5.00 115.29 116.18 1wkw s HIS 37 Ca 0.62 -0.72 -0.24 0.00 -0.15 0.00 0.00 55.06 54.56 1wkw s HIS 37 Cb -0.16 -4.34 -0.08 0.00 1.11 0.00 0.00 32.58 29.11 1wkw s HIS 37 CO 0.56 -1.66 1.35 -1.25 -0.85 0.00 0.00 174.74 172.89 1wkw s PRO 38 N 3.92 3.65 0.34 8.40 0.04 -1.26 -0.38 135.00 149.72 1wkw s PRO 38 Ca 0.27 2.24 0.07 0.00 0.04 0.00 0.00 61.00 63.62 1wkw s PRO 38 Cb -0.13 -2.57 -0.01 0.00 0.04 0.00 0.00 34.50 31.83 1wkw s PRO 38 CO 0.05 -0.78 0.44 -0.51 0.04 0.00 0.00 177.00 176.23 1wkw s LEU 39 N -2.85 3.86 0.10 -3.56 1.43 -0.64 -4.79 118.68 112.23 1wkw s LEU 39 Ca 0.62 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 53.15 1wkw s LEU 39 Cb -0.40 -2.62 -0.11 0.00 0.03 0.00 0.00 46.19 43.09 1wkw s LEU 39 CO 0.50 -0.45 1.63 -0.61 0.23 0.00 0.00 176.35 177.66 1wkw h GLN 40 N 0.95 -0.57 -5.88 1.70 5.75 -1.90 -3.45 115.11 111.72 1wkw h GLN 40 Ca -0.45 0.04 -0.58 0.00 -0.15 0.00 0.00 58.65 57.51 1wkw h GLN 40 Cb 1.26 0.13 -0.14 0.00 1.07 0.00 0.00 27.48 29.80 1wkw h GLN 40 CO 0.53 -0.38 -0.70 -0.80 -2.65 0.00 0.00 178.83 174.83 1wkw s ASN 41 N -4.71 3.40 0.01 -0.69 -0.87 -1.26 -5.12 114.94 105.70 1wkw s ASN 41 Ca -0.16 -1.14 -0.21 0.00 -1.57 0.00 0.00 52.86 49.78 1wkw s ASN 41 Cb 0.07 -0.28 -0.06 0.00 -0.02 0.00 0.00 41.25 40.96 1wkw s ASN 41 CO 0.64 -0.18 0.60 -0.60 -2.57 0.00 0.00 177.10 175.00 1wkw s ARG 42 N -3.62 4.31 0.25 -0.60 3.52 -1.26 -4.74 118.95 116.81 1wkw s ARG 42 Ca 0.30 0.76 0.09 0.00 -0.13 0.00 0.00 55.73 56.75 1wkw s ARG 42 Cb 0.01 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 1wkw s ARG 42 CO 0.14 0.41 0.01 -1.58 -0.81 0.00 0.00 175.30 173.47 1wkw s TRP 43 N -0.34 2.75 -0.06 5.12 0.52 -0.04 -1.34 118.94 125.55 1wkw s TRP 43 Ca 0.31 -0.20 0.03 0.00 0.02 0.00 0.00 56.10 56.26 1wkw s TRP 43 Cb -0.19 -1.24 0.00 0.00 -1.15 0.00 0.00 33.47 30.90 1wkw s TRP 43 CO 0.18 0.59 -0.15 0.00 0.02 0.00 0.00 176.95 177.59 1wkw s ALA 44 N -2.21 1.42 -0.24 0.98 0.00 -0.26 -1.70 121.76 119.76 1wkw s ALA 44 Ca 0.31 -0.57 -0.09 0.00 0.00 0.00 0.00 51.96 51.60 1wkw s ALA 44 Cb -0.07 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1wkw s ALA 44 CO 0.20 0.20 0.12 -1.17 0.00 0.00 0.00 175.76 175.11 1wkw s LEU 45 N 0.33 3.81 0.09 0.00 2.96 -0.01 -2.16 118.68 123.71 1wkw s LEU 45 Ca -0.10 -0.03 0.06 0.00 -0.22 0.00 0.00 54.13 53.85 1wkw s LEU 45 Cb -0.14 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1wkw s LEU 45 CO 0.03 0.02 -0.09 0.26 -1.32 0.00 0.00 176.35 175.26 1wkw s TRP 46 N 1.30 2.78 -0.04 5.38 0.52 0.35 -0.23 118.94 129.00 1wkw s TRP 46 Ca 0.06 -0.13 0.05 0.00 0.02 0.00 0.00 56.10 56.10 1wkw s TRP 46 Cb -0.15 -1.46 -0.01 0.00 -1.15 0.00 0.00 33.47 30.71 1wkw s TRP 46 CO 0.05 0.42 -0.21 0.12 0.02 0.00 0.00 176.95 177.36 1wkw s PHE 47 N -1.20 1.97 -0.05 -1.98 5.36 0.17 -1.23 117.98 121.02 1wkw s PHE 47 Ca 0.21 -0.52 0.05 0.00 -0.96 0.00 0.00 56.93 55.71 1wkw s PHE 47 Cb -0.11 -1.30 -0.02 0.00 -0.34 0.00 0.00 43.02 41.25 1wkw s PHE 47 CO 0.14 -0.14 -0.19 0.12 -1.46 0.00 0.00 175.22 173.68 1wkw s PHE 48 N -0.17 2.57 -0.09 10.12 5.36 -0.43 -0.86 117.98 134.48 1wkw s PHE 48 Ca -0.01 -0.35 -0.00 0.00 -0.96 0.00 0.00 56.93 55.61 1wkw s PHE 48 Cb -0.11 -1.60 0.02 0.00 -0.34 0.00 0.00 43.02 40.99 1wkw s PHE 48 CO 0.02 0.04 -0.06 0.21 -1.46 0.00 0.00 175.22 173.97 1wkw s LYS 49 N -0.54 1.26 0.76 10.12 2.47 -0.90 -2.74 119.74 130.17 1wkw s LYS 49 Ca 0.07 -0.16 -0.11 0.00 -1.56 0.00 0.00 55.97 54.21 1wkw s LYS 49 Cb -0.11 -1.36 0.05 0.00 -1.46 0.00 0.00 37.83 34.95 1wkw s LYS 49 CO 0.01 -0.24 1.10 1.21 0.16 0.00 0.00 175.35 177.59 1wkw s ASN 50 N 1.62 4.56 0.00 1.43 2.47 -1.23 -4.73 114.94 119.07 1wkw s ASN 50 Ca 0.02 1.87 0.00 0.00 0.42 0.00 0.00 52.86 55.17 1wkw s ASN 50 Cb -0.13 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.14 1wkw s ASN 50 CO -0.06 -2.00 0.00 -0.67 -3.72 0.00 0.00 177.10 170.66 1wkw n ASP 51 N -3.34 0.00 -3.40 -4.21 -0.08 -1.26 -5.02 116.55 99.25 1wkw n ASP 51 Ca 0.09 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 53.12 1wkw n ASP 51 Cb 0.53 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.94 1wkw n ASP 51 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1wkw n LYS 52 N 0.00 -1.05 -0.94 -0.67 5.02 -1.26 -4.56 118.16 114.70 1wkw n LYS 52 Ca 0.00 0.08 -0.06 0.00 -2.02 0.00 0.00 58.31 56.31 1wkw n LYS 52 Cb 0.00 -3.34 -0.06 0.00 -0.02 0.00 0.00 35.03 31.61 1wkw n LYS 52 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1wkw n SER 53 N -1.45 -0.88 -3.48 4.39 7.64 -1.26 -5.13 113.62 113.45 1wkw n SER 53 Ca 0.07 -1.82 -0.16 0.00 1.01 0.00 0.00 58.87 57.97 1wkw n SER 53 Cb 0.33 0.26 -0.05 0.00 -1.01 0.00 0.00 64.21 63.75 1wkw n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1wkw s LYS 54 N 0.00 1.14 0.44 1.43 -0.14 -1.26 -5.15 119.74 116.20 1wkw s LYS 54 Ca 0.00 -0.01 -0.24 0.00 -1.36 0.00 0.00 55.97 54.35 1wkw s LYS 54 Cb 0.00 0.53 -0.09 0.00 -1.68 0.00 0.00 37.83 36.59 1wkw s LYS 54 CO 0.00 -0.41 1.21 2.41 -0.76 0.00 0.00 175.35 177.79 1wkw n THR 55 N 0.43 2.73 -0.29 2.17 -1.04 -1.26 -4.87 114.28 112.15 1wkw n THR 55 Ca -0.18 -0.50 0.06 0.00 -2.04 0.00 0.00 64.05 61.39 1wkw n THR 55 Cb 0.60 -1.47 0.21 0.00 -1.82 0.00 0.00 70.33 67.85 1wkw n THR 55 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1wkw h TRP 56 N 1.82 0.73 -0.55 -1.42 7.01 -2.01 -1.40 115.95 120.13 1wkw h TRP 56 Ca -0.47 0.03 0.03 0.00 2.11 0.00 0.00 58.89 60.59 1wkw h TRP 56 Cb 1.31 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 28.14 1wkw h TRP 56 CO 0.46 0.18 0.36 0.37 -2.79 0.00 0.00 178.44 177.02 1wkw h GLN 57 N 0.61 0.63 0.00 2.65 4.15 -1.95 -2.59 115.11 118.61 1wkw h GLN 57 Ca 0.44 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.83 1wkw h GLN 57 Cb 0.61 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1wkw h GLN 57 CO -0.35 0.42 0.00 0.00 -1.93 0.00 0.00 178.83 176.96 1wkw h ALA 58 N 1.68 1.00 -0.02 3.38 0.00 -1.60 -2.54 119.26 121.16 1wkw h ALA 58 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1wkw h ALA 58 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wkw h ALA 58 CO -0.06 0.00 -0.07 0.09 0.00 0.00 0.00 179.25 179.21 1wkw n ASN 59 N -2.40 2.18 -4.63 0.00 3.02 -0.98 -4.84 115.26 107.61 1wkw n ASN 59 Ca 0.03 -1.67 -0.38 0.00 -0.03 0.00 0.00 54.58 52.52 1wkw n ASN 59 Cb 0.30 0.06 -0.09 0.00 -0.61 0.00 0.00 39.78 39.45 1wkw n ASN 59 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1wkw s LEU 60 N -2.09 4.08 0.00 3.41 2.96 -0.96 -2.12 118.68 123.97 1wkw s LEU 60 Ca 0.30 0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.57 1wkw s LEU 60 Cb 0.20 -2.41 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 1wkw s LEU 60 CO 0.36 -0.12 -0.07 -0.13 -1.32 0.00 0.00 176.35 175.07 1wkw s ARG 61 N 1.70 0.56 0.32 1.98 1.81 -0.04 -4.99 118.95 120.29 1wkw s ARG 61 Ca 0.15 -0.30 -0.27 0.00 -1.72 0.00 0.00 55.73 53.59 1wkw s ARG 61 Cb -0.15 -0.53 -0.09 0.00 -0.45 0.00 0.00 34.95 33.73 1wkw s ARG 61 CO 0.09 0.14 1.01 -1.17 -0.68 0.00 0.00 175.30 174.69 1wkw s LEU 62 N -0.31 4.39 -0.03 2.53 2.96 -1.26 0.45 118.68 127.40 1wkw s LEU 62 Ca 0.02 2.02 -0.04 0.00 -0.22 0.00 0.00 54.13 55.91 1wkw s LEU 62 Cb -0.03 -3.90 -0.01 0.00 0.50 0.00 0.00 46.19 42.75 1wkw s LEU 62 CO -0.00 -0.16 -0.07 -0.38 -1.32 0.00 0.00 176.35 174.42 1wkw n ILE 63 N 0.70 0.33 -3.86 6.68 5.41 0.68 -4.84 119.36 124.47 1wkw n ILE 63 Ca 0.01 0.38 -0.04 0.00 1.00 0.00 0.00 62.75 64.10 1wkw n ILE 63 Cb 0.48 -1.62 0.02 0.00 -0.71 0.00 0.00 39.64 37.80 1wkw n ILE 63 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1wkw s SER 64 N -4.53 -0.01 0.46 4.38 1.04 -1.20 -5.02 113.70 108.83 1wkw s SER 64 Ca -0.06 -0.76 0.03 0.00 0.48 0.00 0.00 55.95 55.64 1wkw s SER 64 Cb 0.01 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 1wkw s SER 64 CO 0.08 -1.15 0.10 -0.54 0.98 0.00 0.00 173.24 172.71 1wkw s LYS 65 N -2.31 2.08 -0.25 4.02 1.02 -1.26 -0.83 119.74 122.21 1wkw s LYS 65 Ca 0.20 -2.31 -0.29 0.00 0.02 0.00 0.00 55.97 53.58 1wkw s LYS 65 Cb -0.03 -0.89 0.17 0.00 -0.52 0.00 0.00 37.83 36.57 1wkw s LYS 65 CO 0.06 -0.50 1.25 -0.59 -0.92 0.00 0.00 175.35 174.66 1wkw s PHE 66 N -3.08 -0.14 -0.15 3.18 -0.12 -0.69 -4.99 117.98 112.00 1wkw s PHE 66 Ca 0.15 0.24 0.23 0.00 -0.05 0.00 0.00 56.93 57.49 1wkw s PHE 66 Cb 0.01 0.48 0.47 0.00 -0.63 0.00 0.00 43.02 43.35 1wkw s PHE 66 CO 0.10 -0.13 1.15 -0.40 -0.05 0.00 0.00 175.22 175.89 1wkw n ASP 67 N 0.61 1.55 -3.76 1.98 5.68 -1.26 -0.86 116.55 120.49 1wkw n ASP 67 Ca -0.03 -2.24 -0.11 0.00 -0.50 0.00 0.00 54.79 51.90 1wkw n ASP 67 Cb 0.59 -0.40 -0.07 0.00 -1.14 0.00 0.00 41.12 40.10 1wkw n ASP 67 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1wkw s THR 68 N -2.18 0.09 0.12 2.12 -4.23 -1.26 -1.63 115.64 108.67 1wkw s THR 68 Ca 0.32 -0.76 -0.20 0.00 -1.18 0.00 0.00 61.69 59.87 1wkw s THR 68 Cb 0.36 -1.02 -0.08 0.00 1.34 0.00 0.00 72.50 73.10 1wkw s THR 68 CO -0.09 -0.42 1.77 0.58 -0.54 0.00 0.00 174.62 175.92 1wkw h VAL 69 N 3.07 1.04 -0.48 2.29 2.07 -1.02 -1.69 116.25 121.54 1wkw h VAL 69 Ca -0.32 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.14 1wkw h VAL 69 Cb 1.20 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1wkw h VAL 69 CO 0.48 0.04 0.27 -0.33 0.02 0.00 0.00 177.57 178.05 1wkw h GLU 70 N 0.23 0.53 0.00 1.57 3.07 -1.97 -1.11 114.58 116.89 1wkw h GLU 70 Ca 0.06 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.85 1wkw h GLU 70 Cb -0.03 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 1wkw h GLU 70 CO -0.01 0.35 -0.20 -0.44 -1.40 0.00 0.00 179.01 177.31 1wkw h ASP 71 N 0.55 0.00 0.26 1.42 3.32 -1.90 -0.64 116.42 119.42 1wkw h ASP 71 Ca 0.19 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1wkw h ASP 71 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1wkw h ASP 71 CO -0.10 0.20 -0.13 0.15 -1.72 0.00 0.00 179.24 177.64 1wkw h PHE 72 N 0.00 -0.33 -0.30 4.55 3.57 -0.27 -2.38 116.94 121.78 1wkw h PHE 72 Ca -0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1wkw h PHE 72 Cb 0.38 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1wkw h PHE 72 CO 0.00 -0.04 0.03 -1.49 -2.23 0.00 0.00 178.31 174.58 1wkw h TRP 73 N -0.60 0.45 -0.50 0.41 4.06 -0.93 -0.25 115.95 118.60 1wkw h TRP 73 Ca -0.04 -0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.90 1wkw h TRP 73 Cb 0.43 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 28.42 1wkw h TRP 73 CO 0.00 0.43 0.31 0.00 -3.56 0.00 0.00 178.44 175.63 1wkw h ALA 74 N 1.61 0.64 0.20 1.49 0.00 -1.01 0.15 119.26 122.33 1wkw h ALA 74 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wkw h ALA 74 Cb 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wkw h ALA 74 CO 0.00 0.02 -0.10 1.25 0.00 0.00 0.00 179.25 180.43 1wkw h LEU 75 N 0.62 -0.23 -0.62 0.00 5.85 -0.87 -3.20 115.31 116.87 1wkw h LEU 75 Ca 0.20 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.77 1wkw h LEU 75 Cb -0.01 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 1wkw h LEU 75 CO -0.08 0.12 0.28 0.22 -0.34 0.00 0.00 178.44 178.64 1wkw h TYR 76 N -0.59 0.50 0.00 1.25 3.20 -0.84 -2.43 116.97 118.07 1wkw h TYR 76 Ca -0.03 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1wkw h TYR 76 Cb 0.43 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1wkw h TYR 76 CO 0.03 0.18 -0.01 -0.91 -1.64 0.00 0.00 178.16 175.81 1wkw h ASN 77 N 0.50 0.00 -0.58 -2.11 -0.26 -0.74 -2.92 115.58 109.48 1wkw h ASN 77 Ca 0.30 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.90 1wkw h ASN 77 Cb 0.30 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 37.48 1wkw h ASN 77 CO -0.25 0.01 0.15 0.00 -1.06 0.00 0.00 177.43 176.28 1wkw n HIS 78 N -3.98 1.97 -4.22 1.19 1.44 -0.91 -4.96 115.22 105.75 1wkw n HIS 78 Ca -0.03 -1.12 -0.20 0.00 -2.01 0.00 0.00 57.72 54.37 1wkw n HIS 78 Cb 0.10 -0.57 -0.12 0.00 0.12 0.00 0.00 29.99 29.52 1wkw n HIS 78 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1wkw s ILE 79 N -2.96 1.33 0.54 0.61 -4.36 -1.10 -5.10 121.20 110.15 1wkw s ILE 79 Ca 0.52 -1.49 -0.20 0.00 -0.26 0.00 0.00 60.65 59.22 1wkw s ILE 79 Cb 0.42 -1.33 -0.08 0.00 1.25 0.00 0.00 42.46 42.72 1wkw s ILE 79 CO 0.12 -0.24 0.82 0.00 0.24 0.00 0.00 174.94 175.87 1wkw n GLN 80 N 1.00 0.87 -2.59 0.37 1.13 -1.26 -4.94 117.38 111.97 1wkw n GLN 80 Ca -0.19 0.33 -0.40 0.00 -1.94 0.00 0.00 57.00 54.79 1wkw n GLN 80 Cb 0.55 -1.96 -0.05 0.00 0.11 0.00 0.00 30.24 28.89 1wkw n GLN 80 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1wkw s LEU 81 N -0.64 4.57 0.33 1.08 1.43 -1.26 -4.91 118.68 119.29 1wkw s LEU 81 Ca 0.70 2.11 0.10 0.00 -1.03 0.00 0.00 54.13 56.01 1wkw s LEU 81 Cb -0.47 -3.62 0.98 0.00 0.03 0.00 0.00 46.19 43.11 1wkw s LEU 81 CO 0.52 -0.05 1.61 -1.28 0.23 0.00 0.00 176.35 177.39 1wkw h SER 82 N 4.21 0.08 -0.04 2.29 0.87 -1.95 0.48 113.55 119.49 1wkw h SER 82 Ca -0.46 0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1wkw h SER 82 Cb 1.21 0.30 -0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1wkw h SER 82 CO 0.68 -0.28 0.06 0.77 -0.53 0.00 0.00 176.83 177.53 1wkw h SER 83 N 0.12 0.00 0.02 6.23 4.64 -1.90 -1.81 113.55 120.86 1wkw h SER 83 Ca 0.68 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 1wkw h SER 83 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1wkw h SER 83 CO -0.74 0.00 -0.07 0.59 -0.87 0.00 0.00 176.83 175.74 1wkw n ASN 84 N -3.71 1.77 -4.86 4.97 5.03 0.17 -4.95 115.26 113.69 1wkw n ASN 84 Ca -0.02 -1.51 -0.31 0.00 0.87 0.00 0.00 54.58 53.61 1wkw n ASN 84 Cb 0.14 0.05 -0.00 0.00 -1.02 0.00 0.00 39.78 38.95 1wkw n ASN 84 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1wkw s LEU 85 N -2.11 3.35 -0.04 3.41 1.43 -0.68 -4.95 118.68 119.09 1wkw s LEU 85 Ca 0.32 1.49 -0.30 0.00 -1.03 0.00 0.00 54.13 54.61 1wkw s LEU 85 Cb 0.20 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.90 1wkw s LEU 85 CO 0.37 -0.82 1.33 -0.32 0.23 0.00 0.00 176.35 177.14 1wkw s MET 86 N -4.81 4.29 0.11 1.70 -2.45 -1.26 -4.93 119.30 111.95 1wkw s MET 86 Ca 0.57 1.85 -0.36 0.00 -1.25 0.00 0.00 55.69 56.49 1wkw s MET 86 Cb -0.11 -3.61 -0.16 0.00 1.25 0.00 0.00 34.83 32.20 1wkw s MET 86 CO 0.47 -0.56 1.37 -2.30 1.05 0.00 0.00 175.02 175.05 1wkw n PRO 87 N 5.56 1.34 0.00 4.11 -0.02 -1.26 -2.44 135.00 142.29 1wkw n PRO 87 Ca 0.13 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1wkw n PRO 87 Cb 0.45 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1wkw n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wkw n GLY 88 N 2.64 1.38 3.97 -1.23 0.00 0.39 -4.92 105.19 107.42 1wkw n GLY 88 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1wkw n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkw s ASP 90 N -4.08 0.29 0.19 0.00 1.01 -1.11 -1.62 116.67 111.35 1wkw s ASP 90 Ca 0.40 -0.66 0.09 0.00 0.71 0.00 0.00 52.55 53.09 1wkw s ASP 90 Cb -0.09 0.18 -0.04 0.00 1.01 0.00 0.00 42.92 43.98 1wkw s ASP 90 CO 0.32 -0.47 -0.10 -0.31 0.21 0.00 0.00 175.17 174.82 1wkw s TYR 91 N -2.65 2.62 -0.19 4.23 4.12 -0.89 -1.32 117.35 123.28 1wkw s TYR 91 Ca -0.05 -0.23 -0.07 0.00 0.02 0.00 0.00 57.07 56.74 1wkw s TYR 91 Cb -0.01 -1.27 0.08 0.00 -1.52 0.00 0.00 41.96 39.24 1wkw s TYR 91 CO -0.05 0.52 0.42 -1.12 0.02 0.00 0.00 175.55 175.34 1wkw s SER 92 N -2.88 -0.31 -0.31 2.29 0.01 -0.37 -1.95 113.70 110.18 1wkw s SER 92 Ca 0.25 0.98 -0.03 0.00 1.31 0.00 0.00 55.95 58.46 1wkw s SER 92 Cb -0.09 1.24 0.05 0.00 0.21 0.00 0.00 66.02 67.44 1wkw s SER 92 CO 0.15 -0.22 0.03 -0.22 0.41 0.00 0.00 173.24 173.39 1wkw s LEU 93 N 2.38 4.06 0.18 2.44 2.96 -0.39 -0.50 118.68 129.81 1wkw s LEU 93 Ca -0.03 -1.30 0.08 0.00 -0.22 0.00 0.00 54.13 52.65 1wkw s LEU 93 Cb -0.11 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1wkw s LEU 93 CO -0.13 -0.29 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.10 1wkw s PHE 94 N 1.27 1.71 0.22 5.38 0.40 -0.92 -1.39 117.98 124.66 1wkw s PHE 94 Ca -0.04 -0.54 -0.31 0.00 -0.60 0.00 0.00 56.93 55.45 1wkw s PHE 94 Cb -0.20 -0.82 -0.11 0.00 0.51 0.00 0.00 43.02 42.40 1wkw s PHE 94 CO -0.01 0.33 1.55 0.15 0.70 0.00 0.00 175.22 177.94 1wkw s LYS 95 N -3.28 4.20 0.08 0.44 1.02 -0.81 -1.10 119.74 120.29 1wkw s LYS 95 Ca 0.19 2.41 -0.36 0.00 0.02 0.00 0.00 55.97 58.24 1wkw s LYS 95 Cb -0.03 -3.11 -0.18 0.00 -0.52 0.00 0.00 37.83 33.99 1wkw s LYS 95 CO 0.06 -0.57 0.97 -3.47 -0.92 0.00 0.00 175.35 171.42 1wkw n ASP 96 N 3.13 0.03 0.00 2.83 4.64 -0.45 -0.43 116.55 126.30 1wkw n ASP 96 Ca 0.11 1.15 0.00 0.00 -1.38 0.00 0.00 54.79 54.67 1wkw n ASP 96 Cb 0.38 -0.99 0.00 0.00 -1.04 0.00 0.00 41.12 39.47 1wkw n ASP 96 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1wkw n GLY 97 N 1.77 3.18 3.25 0.27 0.00 -1.26 -5.00 105.19 107.41 1wkw n GLY 97 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1wkw n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wkw s ILE 98 N -2.80 3.75 0.40 -0.61 1.01 0.43 -5.03 121.20 118.35 1wkw s ILE 98 Ca 0.00 -1.28 -0.25 0.00 0.00 0.00 0.00 60.65 59.13 1wkw s ILE 98 Cb 0.00 -3.19 -0.08 0.00 0.01 0.00 0.00 42.46 39.19 1wkw s ILE 98 CO 0.00 -0.27 1.12 -1.61 0.00 0.00 0.00 174.94 174.18 1wkw s GLU 99 N 1.37 4.08 -0.69 2.79 2.02 -1.26 -4.56 118.70 122.46 1wkw s GLU 99 Ca -0.00 1.71 -0.06 0.00 0.02 0.00 0.00 54.97 56.64 1wkw s GLU 99 Cb -0.20 -2.62 -0.12 0.00 0.10 0.00 0.00 34.13 31.29 1wkw s GLU 99 CO 0.02 -0.26 2.54 -0.35 0.02 0.00 0.00 175.26 177.23 1wkw n PRO 100 N 0.00 2.15 -3.81 0.39 -0.04 -1.26 -4.77 135.00 127.67 1wkw n PRO 100 Ca 0.05 -1.30 -0.11 0.00 -0.04 0.00 0.00 63.50 62.09 1wkw n PRO 100 Cb 0.48 -2.28 -0.08 0.00 -0.04 0.00 0.00 33.50 31.58 1wkw n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wkw s MET 101 N 2.41 0.73 0.15 0.54 0.23 -1.26 -5.07 119.30 117.03 1wkw s MET 101 Ca 0.49 -0.55 -0.21 0.00 -1.03 0.00 0.00 55.69 54.39 1wkw s MET 101 Cb 0.17 0.31 0.02 0.00 -1.53 0.00 0.00 34.83 33.80 1wkw s MET 101 CO -0.03 -0.22 1.66 -1.49 -2.03 0.00 0.00 175.02 172.91 1wkw h TRP 102 N 3.41 -0.43 -0.52 3.16 6.55 -1.91 -2.69 115.95 123.53 1wkw h TRP 102 Ca -0.32 0.03 0.15 0.00 0.95 0.00 0.00 58.89 59.70 1wkw h TRP 102 Cb 1.19 0.22 -0.02 0.00 -0.86 0.00 0.00 29.16 29.70 1wkw h TRP 102 CO 0.49 -0.24 0.81 0.93 -1.05 0.00 0.00 178.44 179.37 1wkw h GLU 103 N -0.16 0.00 -7.01 0.49 3.07 -1.95 -1.16 114.58 107.86 1wkw h GLU 103 Ca 0.13 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.43 1wkw h GLU 103 Cb 0.36 0.00 0.14 0.00 -0.84 0.00 0.00 28.75 28.42 1wkw h GLU 103 CO -0.33 0.00 0.52 -3.47 -1.40 0.00 0.00 179.01 174.34 1wkw n ASP 104 N -3.21 2.37 -0.14 1.42 2.03 -1.01 -4.68 116.55 113.33 1wkw n ASP 104 Ca 0.11 0.95 0.19 0.00 0.52 0.00 0.00 54.79 56.56 1wkw n ASP 104 Cb 0.99 -1.55 0.59 0.00 -0.72 0.00 0.00 41.12 40.43 1wkw n ASP 104 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1wkw h GLU 105 N 1.25 0.23 -0.00 -0.67 4.81 -1.91 0.26 114.58 118.54 1wkw h GLU 105 Ca -0.50 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1wkw h GLU 105 Cb 1.32 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1wkw h GLU 105 CO 0.56 0.15 -0.62 1.63 -0.73 0.00 0.00 179.01 180.01 1wkw n LYS 106 N -4.43 0.14 -0.04 1.92 4.76 -1.26 -4.27 118.16 114.98 1wkw n LYS 106 Ca 0.15 -0.09 -0.03 0.00 -2.87 0.00 0.00 58.31 55.47 1wkw n LYS 106 Cb 0.65 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.27 1wkw n LYS 106 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1wkw n ASN 107 N -1.35 2.68 -0.31 4.39 3.02 -0.51 -3.97 115.26 119.20 1wkw n ASN 107 Ca 0.06 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.60 1wkw n ASN 107 Cb 0.34 0.87 0.04 0.00 -0.61 0.00 0.00 39.78 40.42 1wkw n ASN 107 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1wkw n LYS 108 N -2.25 -0.19 -0.09 3.52 0.00 0.79 0.48 118.16 120.42 1wkw n LYS 108 Ca -0.13 1.26 0.11 0.00 0.00 0.00 0.00 58.31 59.56 1wkw n LYS 108 Cb 0.70 -1.87 0.34 0.00 0.00 0.00 0.00 35.03 34.19 1wkw n LYS 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wkw n ARG 109 N -5.21 1.94 -0.29 1.64 1.74 -1.26 -4.54 116.66 110.67 1wkw n ARG 109 Ca 0.09 -1.41 0.00 0.00 -0.77 0.00 0.00 57.85 55.76 1wkw n ARG 109 Cb 0.33 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1wkw n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wkw n GLY 110 N 1.24 0.53 0.00 -0.13 0.00 0.18 -2.35 105.19 104.65 1wkw n GLY 110 Ca 0.17 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1wkw n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkw n GLY 111 N 5.00 2.26 3.16 -0.02 0.00 -0.95 -1.55 105.19 113.10 1wkw n GLY 111 Ca 0.00 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 1wkw n GLY 111 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wkw s ARG 112 N -1.67 0.59 -0.23 1.61 1.70 0.17 -1.57 118.95 119.55 1wkw s ARG 112 Ca 0.00 -0.40 -0.14 0.00 -0.47 0.00 0.00 55.73 54.72 1wkw s ARG 112 Cb 0.00 0.25 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 1wkw s ARG 112 CO 0.00 -0.16 0.33 -1.58 -1.08 0.00 0.00 175.30 172.81 1wkw s TRP 113 N -1.67 3.32 -0.12 5.89 0.52 -0.63 -1.12 118.94 125.13 1wkw s TRP 113 Ca -0.12 0.46 -0.04 0.00 0.02 0.00 0.00 56.10 56.42 1wkw s TRP 113 Cb -0.05 -2.47 -0.03 0.00 -1.15 0.00 0.00 33.47 29.76 1wkw s TRP 113 CO 0.01 -0.05 0.01 -1.17 0.02 0.00 0.00 176.95 175.77 1wkw s LEU 114 N 1.46 3.60 -0.39 2.99 2.96 -0.94 -2.28 118.68 126.08 1wkw s LEU 114 Ca 0.15 0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 54.12 1wkw s LEU 114 Cb -0.15 -1.85 0.10 0.00 0.50 0.00 0.00 46.19 44.79 1wkw s LEU 114 CO 0.08 0.29 0.17 -0.63 -1.32 0.00 0.00 176.35 174.94 1wkw s ILE 115 N -0.36 3.27 -0.32 6.68 -1.09 0.94 -4.38 121.20 125.95 1wkw s ILE 115 Ca 0.07 -1.91 -0.19 0.00 -2.23 0.00 0.00 60.65 56.39 1wkw s ILE 115 Cb -0.12 -3.17 -0.01 0.00 -1.58 0.00 0.00 42.46 37.58 1wkw s ILE 115 CO 0.02 -0.58 0.59 0.42 -1.23 0.00 0.00 174.94 174.16 1wkw s THR 116 N 1.17 4.96 0.21 2.92 -4.23 -1.26 -1.81 115.64 117.60 1wkw s THR 116 Ca 0.06 0.68 0.01 0.00 -1.18 0.00 0.00 61.69 61.26 1wkw s THR 116 Cb -0.22 -3.99 -0.04 0.00 1.34 0.00 0.00 72.50 69.59 1wkw s THR 116 CO -0.03 -0.17 0.38 -0.76 -0.54 0.00 0.00 174.62 173.50 1wkw s LEU 117 N 2.55 4.25 0.44 4.79 1.02 -0.39 -5.03 118.68 126.30 1wkw s LEU 117 Ca 0.23 0.29 0.06 0.00 0.02 0.00 0.00 54.13 54.74 1wkw s LEU 117 Cb -0.15 -3.07 0.01 0.00 0.02 0.00 0.00 46.19 43.00 1wkw s LEU 117 CO 0.12 -0.05 0.60 0.54 0.02 0.00 0.00 176.35 177.59 1wkw s ASN 118 N -3.42 5.61 0.16 2.29 2.20 -1.26 -3.56 114.94 116.97 1wkw s ASN 118 Ca 0.37 -0.31 -0.26 0.00 -0.94 0.00 0.00 52.86 51.72 1wkw s ASN 118 Cb -0.10 -0.76 0.03 0.00 -2.00 0.00 0.00 41.25 38.42 1wkw s ASN 118 CO 0.30 -0.81 1.57 0.11 -2.94 0.00 0.00 177.10 175.33 1wkw h LYS 119 N 0.54 -0.25 -0.91 3.55 1.79 -1.92 -1.40 116.57 117.97 1wkw h LYS 119 Ca -0.41 0.02 0.15 0.00 -2.18 0.00 0.00 60.65 58.23 1wkw h LYS 119 Cb 1.28 0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 31.89 1wkw h LYS 119 CO 0.47 -0.17 0.51 1.96 -1.08 0.00 0.00 179.45 181.14 1wkw h GLN 120 N -0.26 0.69 0.00 3.15 7.50 -2.01 -1.63 115.11 122.55 1wkw h GLN 120 Ca 0.17 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.28 1wkw h GLN 120 Cb 0.57 -0.16 0.00 0.00 0.05 0.00 0.00 27.48 27.94 1wkw h GLN 120 CO -0.64 0.46 0.00 1.04 -1.50 0.00 0.00 178.83 178.19 1wkw n GLN 121 N -4.81 0.05 0.11 1.46 6.02 -0.53 -1.83 117.38 117.86 1wkw n GLN 121 Ca 0.19 0.30 -0.01 0.00 -0.01 0.00 0.00 57.00 57.46 1wkw n GLN 121 Cb 0.45 -1.50 0.24 0.00 1.02 0.00 0.00 30.24 30.45 1wkw n GLN 121 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1wkw h ARG 122 N 0.00 0.18 0.17 -1.09 2.43 -1.32 0.57 114.38 115.31 1wkw h ARG 122 Ca 0.00 -0.09 -0.32 0.00 -0.81 0.00 0.00 59.98 58.77 1wkw h ARG 122 Cb 0.06 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1wkw h ARG 122 CO 0.00 0.58 -1.58 -0.09 -1.51 0.00 0.00 179.97 177.37 1wkw h ARG 123 N 0.15 0.35 0.02 0.20 2.43 -1.57 -3.38 114.38 112.59 1wkw h ARG 123 Ca 0.01 -0.60 -0.30 0.00 -0.81 0.00 0.00 59.98 58.28 1wkw h ARG 123 Cb 0.82 0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 1wkw h ARG 123 CO 0.06 1.29 -1.70 0.66 -1.51 0.00 0.00 179.97 178.77 1wkw h SER 124 N -0.05 0.08 0.00 -3.80 4.64 -1.54 -3.46 113.55 109.42 1wkw h SER 124 Ca -0.32 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1wkw h SER 124 Cb 1.97 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 64.03 1wkw h SER 124 CO 0.14 1.15 -0.74 0.47 -0.87 0.00 0.00 176.83 176.98 1wkw n ASP 125 N -3.15 3.48 -0.22 4.97 8.00 0.05 -4.82 116.55 124.86 1wkw n ASP 125 Ca -0.18 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.26 1wkw n ASP 125 Cb 1.04 0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 42.35 1wkw n ASP 125 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1wkw n LEU 126 N -1.81 -0.55 0.12 0.64 7.94 -0.39 0.02 117.00 122.97 1wkw n LEU 126 Ca 0.00 1.20 -0.13 0.00 -1.11 0.00 0.00 56.01 55.97 1wkw n LEU 126 Cb 0.37 -0.26 -0.06 0.00 0.53 0.00 0.00 43.42 44.01 1wkw n LEU 126 CO 0.00 -0.89 0.71 0.44 -1.11 0.00 0.00 177.39 176.54 1wkw h ASP 127 N 0.00 -0.65 -0.71 1.96 3.45 -1.87 0.38 116.42 118.98 1wkw h ASP 127 Ca 0.08 0.07 -0.04 0.00 0.43 0.00 0.00 57.03 57.58 1wkw h ASP 127 Cb 0.21 0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 39.19 1wkw h ASP 127 CO -0.49 -0.32 0.30 0.08 -1.57 0.00 0.00 179.24 177.24 1wkw h ARG 128 N -0.44 1.05 -0.20 3.56 0.11 -1.72 -1.35 114.38 115.39 1wkw h ARG 128 Ca 0.02 -0.18 0.01 0.00 0.10 0.00 0.00 59.98 59.93 1wkw h ARG 128 Cb 0.45 -0.18 -0.02 0.00 1.11 0.00 0.00 29.97 31.34 1wkw h ARG 128 CO -0.11 0.86 0.09 0.74 0.10 0.00 0.00 179.97 181.65 1wkw h PHE 129 N 1.01 0.17 -0.75 4.08 0.05 -0.14 -1.45 116.94 119.92 1wkw h PHE 129 Ca 0.24 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 62.03 1wkw h PHE 129 Cb 0.18 -0.05 -0.04 0.00 2.00 0.00 0.00 35.95 38.05 1wkw h PHE 129 CO 0.01 0.10 0.44 2.35 -0.18 0.00 0.00 178.31 181.03 1wkw h TRP 130 N 0.20 0.99 -0.56 -0.55 2.91 -0.64 -1.86 115.95 116.45 1wkw h TRP 130 Ca 0.08 -0.00 -0.11 0.00 1.13 0.00 0.00 58.89 59.99 1wkw h TRP 130 Cb 0.03 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 28.33 1wkw h TRP 130 CO -0.10 0.67 -0.07 1.25 -1.03 0.00 0.00 178.44 179.16 1wkw h LEU 131 N 1.04 1.04 -1.38 0.65 5.85 -0.82 -1.78 115.31 119.91 1wkw h LEU 131 Ca 0.27 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1wkw h LEU 131 Cb -0.02 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1wkw h LEU 131 CO -0.05 1.13 0.08 -0.08 -0.34 0.00 0.00 178.44 179.18 1wkw h GLU 132 N 0.92 0.50 -0.04 1.25 4.57 -0.82 -0.46 114.58 120.50 1wkw h GLU 132 Ca 0.15 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1wkw h GLU 132 Cb 0.64 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1wkw h GLU 132 CO 0.04 0.47 0.01 1.15 -1.18 0.00 0.00 179.01 179.50 1wkw h THR 133 N 0.49 1.17 -0.70 0.32 2.02 -0.95 -1.50 112.91 113.76 1wkw h THR 133 Ca 0.12 -0.52 0.10 0.00 0.77 0.00 0.00 66.41 66.88 1wkw h THR 133 Cb 0.20 1.45 -0.08 0.00 -1.74 0.00 0.00 68.15 67.98 1wkw h THR 133 CO -0.00 0.14 0.32 -0.07 0.37 0.00 0.00 175.52 176.28 1wkw h LEU 134 N -0.14 0.39 -0.59 2.58 3.38 -0.53 -0.72 115.31 119.69 1wkw h LEU 134 Ca 0.01 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1wkw h LEU 134 Cb 0.22 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1wkw h LEU 134 CO -0.00 0.21 0.06 -0.07 0.09 0.00 0.00 178.44 178.74 1wkw h LEU 135 N 0.54 0.96 -1.11 1.67 3.38 -0.92 -1.72 115.31 118.11 1wkw h LEU 135 Ca 0.35 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1wkw h LEU 135 Cb 0.42 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1wkw h LEU 135 CO -0.30 0.99 0.31 0.00 0.09 0.00 0.00 178.44 179.53 1wkw h LEU 137 N 0.93 -0.69 -1.22 0.00 3.38 -0.79 -2.27 115.31 114.65 1wkw h LEU 137 Ca 0.23 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1wkw h LEU 137 Cb 0.11 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1wkw h LEU 137 CO -0.03 -0.29 -0.20 0.16 0.09 0.00 0.00 178.44 178.16 1wkw h ILE 138 N -1.19 0.53 -0.01 1.22 3.07 -1.31 -2.75 117.51 117.07 1wkw h ILE 138 Ca -0.08 -1.03 0.00 0.00 1.55 0.00 0.00 64.86 65.30 1wkw h ILE 138 Cb 0.64 1.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.90 1wkw h ILE 138 CO 0.14 0.20 -0.09 0.61 -1.05 0.00 0.00 178.15 177.95 1wkw n GLY 139 N 0.05 -0.70 3.73 0.16 0.00 0.52 -4.51 105.19 104.44 1wkw n GLY 139 Ca -0.00 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 1wkw n GLY 139 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wkw n GLU 140 N -0.68 -2.80 -0.10 1.61 -0.58 -1.04 -4.85 120.64 112.21 1wkw n GLU 140 Ca 0.16 0.51 -0.00 0.00 -0.42 0.00 0.00 57.16 57.41 1wkw n GLU 140 Cb 0.28 -4.61 0.03 0.00 -0.57 0.00 0.00 31.44 26.57 1wkw n GLU 140 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1wkw n SER 141 N -2.89 2.08 -0.82 1.62 7.64 -0.88 -3.85 113.62 116.51 1wkw n SER 141 Ca -0.20 -2.11 0.05 0.00 1.01 0.00 0.00 58.87 57.62 1wkw n SER 141 Cb 0.64 -0.52 0.14 0.00 -1.01 0.00 0.00 64.21 63.46 1wkw n SER 141 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1wkw n PHE 142 N 0.17 0.00 -3.62 1.43 0.99 -1.26 -4.96 117.46 110.20 1wkw n PHE 142 Ca 0.04 -1.13 0.00 0.00 -0.00 0.00 0.00 57.45 56.36 1wkw n PHE 142 Cb 0.45 -0.21 0.00 0.00 -1.00 0.00 0.00 39.48 38.72 1wkw n PHE 142 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1wkw n ASP 143 N -0.63 -0.55 0.30 4.37 9.92 -1.25 -1.61 116.55 127.10 1wkw n ASP 143 Ca 0.14 0.00 0.20 0.00 -0.53 0.00 0.00 54.79 54.61 1wkw n ASP 143 Cb 0.82 0.00 1.05 0.00 -0.64 0.00 0.00 41.12 42.35 1wkw n ASP 143 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1wkw h ASP 144 N 4.88 0.00 0.45 -2.24 3.32 -1.99 0.04 116.42 120.88 1wkw h ASP 144 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wkw h ASP 144 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1wkw h ASP 144 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 1wkw n TYR 145 N -2.97 0.15 0.72 4.55 4.02 -0.64 -2.12 117.16 120.88 1wkw n TYR 145 Ca -0.02 0.06 0.07 0.00 -0.01 0.00 0.00 57.90 58.00 1wkw n TYR 145 Cb 0.11 -0.60 0.37 0.00 -0.02 0.00 0.00 39.34 39.20 1wkw n TYR 145 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1wkw n SER 146 N -1.64 0.00 0.13 7.72 7.64 -0.00 -1.78 113.62 125.69 1wkw n SER 146 Ca 0.03 -0.08 0.05 0.00 1.01 0.00 0.00 58.87 59.88 1wkw n SER 146 Cb 0.15 -0.20 0.03 0.00 -1.01 0.00 0.00 64.21 63.19 1wkw n SER 146 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1wkw h ASP 147 N 0.00 0.00 1.01 6.43 3.32 -1.65 -3.18 116.42 122.35 1wkw h ASP 147 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wkw h ASP 147 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1wkw h ASP 147 CO 0.00 0.36 -0.03 0.47 -1.72 0.00 0.00 179.24 178.32 1wkw n ASP 148 N -3.07 0.08 -4.73 6.45 9.92 -0.73 -4.83 116.55 119.64 1wkw n ASP 148 Ca -0.00 0.47 -0.41 0.00 -0.53 0.00 0.00 54.79 54.32 1wkw n ASP 148 Cb 0.69 -0.48 -0.04 0.00 -0.64 0.00 0.00 41.12 40.65 1wkw n ASP 148 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1wkw s VAL 149 N -3.01 3.91 -0.21 2.53 1.01 -1.20 -0.38 120.40 123.05 1wkw s VAL 149 Ca 0.14 1.60 0.01 0.00 0.00 0.00 0.00 61.98 63.72 1wkw s VAL 149 Cb 0.18 -4.02 -0.13 0.00 0.00 0.00 0.00 36.38 32.41 1wkw s VAL 149 CO 0.54 0.25 -0.19 0.00 0.00 0.00 0.00 175.10 175.71 1wkw n GLY 151 N 2.45 -2.04 3.15 0.00 0.00 -1.11 -1.92 105.19 105.72 1wkw n GLY 151 Ca -0.37 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 1wkw n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkw s ALA 152 N -1.72 0.93 -0.05 4.61 0.00 -0.48 0.98 121.76 126.03 1wkw s ALA 152 Ca 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 51.96 50.71 1wkw s ALA 152 Cb 0.00 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.24 1wkw s ALA 152 CO 0.00 -0.15 0.13 0.14 0.00 0.00 0.00 175.76 175.87 1wkw s VAL 153 N -2.96 -0.00 -0.08 0.00 -7.23 -0.01 -1.27 120.40 108.85 1wkw s VAL 153 Ca 0.06 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 1wkw s VAL 153 Cb 0.01 -0.18 -0.03 0.00 0.56 0.00 0.00 36.38 36.74 1wkw s VAL 153 CO -0.03 0.00 -0.07 0.54 -0.31 0.00 0.00 175.10 175.23 1wkw s VAL 154 N 0.08 3.63 -0.22 1.32 0.11 -0.82 -1.54 120.40 122.96 1wkw s VAL 154 Ca -0.00 -0.49 0.02 0.00 -2.93 0.00 0.00 61.98 58.57 1wkw s VAL 154 Cb -0.01 -2.50 0.04 0.00 -1.53 0.00 0.00 36.38 32.39 1wkw s VAL 154 CO 0.00 0.58 -0.13 0.20 -3.33 0.00 0.00 175.10 172.42 1wkw s ASN 155 N -0.53 3.76 -0.37 3.54 0.02 0.65 -2.09 114.94 119.92 1wkw s ASN 155 Ca 0.08 -1.04 -0.21 0.00 -1.02 0.00 0.00 52.86 50.67 1wkw s ASN 155 Cb -0.12 -1.42 0.01 0.00 0.02 0.00 0.00 41.25 39.73 1wkw s ASN 155 CO 0.02 -0.13 0.67 -0.69 0.02 0.00 0.00 177.10 177.00 1wkw s VAL 156 N 1.25 4.84 -0.01 1.60 1.01 -0.64 -1.92 120.40 126.54 1wkw s VAL 156 Ca -0.03 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1wkw s VAL 156 Cb -0.17 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.09 1wkw s VAL 156 CO -0.08 -0.37 -0.04 -0.13 0.00 0.00 0.00 175.10 174.48 1wkw s ARG 157 N 2.82 0.38 0.52 2.72 1.81 -1.26 0.15 118.95 126.08 1wkw s ARG 157 Ca 0.26 -0.14 0.23 0.00 -1.72 0.00 0.00 55.73 54.36 1wkw s ARG 157 Cb -0.14 -0.38 1.42 0.00 -0.45 0.00 0.00 34.95 35.41 1wkw s ARG 157 CO 0.16 0.07 2.12 0.00 -0.68 0.00 0.00 175.30 176.97 1wkw h ALA 158 N 6.16 1.55 -0.00 2.13 0.00 -1.95 -1.86 119.26 125.28 1wkw h ALA 158 Ca -0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1wkw h ALA 158 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1wkw h ALA 158 CO 0.50 0.11 -0.11 0.36 0.00 0.00 0.00 179.25 180.11 1wkw n LYS 159 N -3.98 0.82 0.00 0.00 2.85 -1.26 -4.93 118.16 111.66 1wkw n LYS 159 Ca -0.02 -0.32 0.00 0.00 -1.05 0.00 0.00 58.31 56.91 1wkw n LYS 159 Cb 0.18 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.06 1wkw n LYS 159 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wkw n GLY 160 N 1.26 3.87 3.82 2.58 0.00 -0.70 -4.80 105.19 111.22 1wkw n GLY 160 Ca 0.15 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 1wkw n GLY 160 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wkw s ASP 161 N 0.00 4.54 -0.02 1.61 -0.00 -1.23 -4.32 116.67 117.25 1wkw s ASP 161 Ca 0.00 1.24 -0.13 0.00 -0.00 0.00 0.00 52.55 53.65 1wkw s ASP 161 Cb 0.00 -1.96 0.02 0.00 -0.00 0.00 0.00 42.92 40.98 1wkw s ASP 161 CO 0.00 -1.93 0.28 -0.54 -0.00 0.00 0.00 175.17 172.98 1wkw s LYS 162 N -5.21 0.61 -0.00 8.23 1.02 -0.81 -1.26 119.74 122.33 1wkw s LYS 162 Ca 0.61 -0.18 0.02 0.00 0.02 0.00 0.00 55.97 56.43 1wkw s LYS 162 Cb -0.14 0.27 -0.01 0.00 -0.52 0.00 0.00 37.83 37.44 1wkw s LYS 162 CO 0.54 -0.16 -0.06 0.42 -0.92 0.00 0.00 175.35 175.17 1wkw s ILE 163 N -1.22 0.46 -0.10 2.17 1.01 -0.75 -0.25 121.20 122.52 1wkw s ILE 163 Ca -0.13 -0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.06 1wkw s ILE 163 Cb -0.05 -0.40 0.04 0.00 0.01 0.00 0.00 42.46 42.05 1wkw s ILE 163 CO 0.03 0.09 0.39 0.00 0.00 0.00 0.00 174.94 175.45 1wkw s ALA 164 N -0.23 -0.97 -0.22 9.38 0.00 -0.59 -0.04 121.76 129.10 1wkw s ALA 164 Ca 0.01 0.86 -0.06 0.00 0.00 0.00 0.00 51.96 52.78 1wkw s ALA 164 Cb -0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 1wkw s ALA 164 CO -0.00 -0.23 0.02 0.42 0.00 0.00 0.00 175.76 175.97 1wkw s ILE 165 N -0.41 4.00 -0.08 0.00 1.01 -0.97 -0.83 121.20 123.93 1wkw s ILE 165 Ca -0.05 -0.29 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 1wkw s ILE 165 Cb -0.03 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 1wkw s ILE 165 CO 0.02 0.40 0.38 0.26 0.00 0.00 0.00 174.94 176.01 1wkw s TRP 166 N 1.24 3.60 0.18 3.97 0.52 0.28 -1.61 118.94 127.11 1wkw s TRP 166 Ca 0.04 0.84 0.10 0.00 0.02 0.00 0.00 56.10 57.09 1wkw s TRP 166 Cb -0.15 -2.35 -0.04 0.00 -1.15 0.00 0.00 33.47 29.78 1wkw s TRP 166 CO 0.02 0.42 -0.20 0.95 0.02 0.00 0.00 176.95 178.16 1wkw s THR 167 N -0.23 2.01 0.29 2.01 -4.23 -0.61 0.69 115.64 115.57 1wkw s THR 167 Ca 0.22 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 58.81 1wkw s THR 167 Cb -0.15 -1.95 0.02 0.00 1.34 0.00 0.00 72.50 71.76 1wkw s THR 167 CO 0.10 -0.27 1.67 0.00 -0.54 0.00 0.00 174.62 175.58 1wkw h THR 168 N 3.17 1.33 -3.16 3.99 1.03 -0.84 -2.51 112.91 115.92 1wkw h THR 168 Ca -0.43 -1.64 -0.54 0.00 -0.01 0.00 0.00 66.41 63.78 1wkw h THR 168 Cb 1.21 1.78 -0.40 0.00 -1.07 0.00 0.00 68.15 69.67 1wkw h THR 168 CO 0.51 0.49 -0.76 -0.70 -0.01 0.00 0.00 175.52 175.04 1wkw s GLU 169 N -4.03 0.61 0.00 0.00 2.56 -1.26 -1.99 118.70 114.58 1wkw s GLU 169 Ca -0.04 -0.68 0.18 0.00 0.00 0.00 0.00 54.97 54.43 1wkw s GLU 169 Cb 0.13 -1.92 1.02 0.00 2.00 0.00 0.00 34.13 35.35 1wkw s GLU 169 CO 0.77 -0.83 1.53 0.00 -0.56 0.00 0.00 175.26 176.18 1wkw n GLU 171 N -1.14 0.95 -2.70 0.00 4.07 -1.26 -4.51 120.64 116.05 1wkw n GLU 171 Ca 0.11 -0.66 -0.43 0.00 -0.06 0.00 0.00 57.16 56.13 1wkw n GLU 171 Cb 0.10 -1.49 0.01 0.00 -0.06 0.00 0.00 31.44 30.00 1wkw n GLU 171 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1wkw n ASN 172 N -0.45 5.64 -0.30 4.31 5.03 -0.50 -4.86 115.26 124.14 1wkw n ASN 172 Ca 0.11 -3.21 0.10 0.00 0.87 0.00 0.00 54.58 52.45 1wkw n ASN 172 Cb 0.39 -1.40 0.27 0.00 -1.02 0.00 0.00 39.78 38.01 1wkw n ASN 172 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 1wkw h ARG 173 N 5.79 0.51 -0.05 3.52 2.43 -1.84 0.16 114.38 124.90 1wkw h ARG 173 Ca 0.30 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1wkw h ARG 173 Cb 0.66 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1wkw h ARG 173 CO 1.45 0.33 0.03 1.49 -1.51 0.00 0.00 179.97 181.76 1wkw h GLU 174 N 0.52 0.06 -0.26 0.20 4.81 -1.98 0.50 114.58 118.44 1wkw h GLU 174 Ca 0.51 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.57 1wkw h GLU 174 Cb 0.85 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 1wkw h GLU 174 CO -0.44 0.05 -0.52 0.00 -0.73 0.00 0.00 179.01 177.37 1wkw h ALA 175 N 1.01 0.59 -0.26 2.92 0.00 -1.86 -2.47 119.26 119.19 1wkw h ALA 175 Ca 0.02 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1wkw h ALA 175 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1wkw h ALA 175 CO -0.00 0.68 -0.02 0.28 0.00 0.00 0.00 179.25 180.19 1wkw h VAL 176 N 0.58 1.26 -0.17 0.00 2.07 -0.45 -2.30 116.25 117.25 1wkw h VAL 176 Ca 0.02 -0.96 -0.11 0.00 0.82 0.00 0.00 66.70 66.47 1wkw h VAL 176 Cb 1.10 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1wkw h VAL 176 CO 0.11 0.30 -0.38 0.71 0.02 0.00 0.00 177.57 178.33 1wkw h THR 177 N 0.23 1.30 -0.02 2.57 1.35 -0.03 -2.17 112.91 116.15 1wkw h THR 177 Ca 0.07 -1.49 -0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1wkw h THR 177 Cb 0.45 1.59 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1wkw h THR 177 CO 0.02 0.46 0.01 -0.74 -0.25 0.00 0.00 175.52 175.01 1wkw h HIS 178 N 0.31 0.03 -0.33 4.73 6.17 -1.37 -2.40 115.15 122.29 1wkw h HIS 178 Ca 0.03 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1wkw h HIS 178 Cb 0.81 -0.01 -0.02 0.00 2.52 0.00 0.00 27.41 30.72 1wkw h HIS 178 CO 0.02 0.12 0.20 0.82 0.71 0.00 0.00 177.93 179.80 1wkw h ILE 179 N -0.07 1.10 -0.26 6.26 2.04 -1.31 -2.27 117.51 123.00 1wkw h ILE 179 Ca 0.01 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.70 1wkw h ILE 179 Cb 0.10 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1wkw h ILE 179 CO -0.00 0.10 -0.07 1.23 0.00 0.00 0.00 178.15 179.41 1wkw h GLY 180 N 0.43 0.18 0.73 5.37 0.00 -1.33 -0.38 103.07 108.07 1wkw h GLY 180 Ca 0.12 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1wkw h GLY 180 CO -0.02 -0.10 -0.33 3.21 0.00 0.00 0.00 176.54 179.29 1wkw h ARG 181 N -0.01 -0.71 -0.05 4.80 3.08 -1.20 0.16 114.38 120.45 1wkw h ARG 181 Ca 0.13 0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.26 1wkw h ARG 181 Cb 0.20 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 1wkw h ARG 181 CO -0.27 -0.48 -0.15 0.28 -1.07 0.00 0.00 179.97 178.28 1wkw h VAL 182 N -0.74 0.61 0.23 2.04 2.07 -1.32 0.19 116.25 119.33 1wkw h VAL 182 Ca -0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1wkw h VAL 182 Cb 0.64 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1wkw h VAL 182 CO -0.01 0.00 -0.43 0.22 0.02 0.00 0.00 177.57 177.37 1wkw h TYR 183 N -0.23 -1.21 -0.97 1.57 3.20 -0.91 0.72 116.97 119.15 1wkw h TYR 183 Ca 0.07 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.10 1wkw h TYR 183 Cb 0.32 0.50 -0.08 0.00 1.54 0.00 0.00 36.73 39.01 1wkw h TYR 183 CO -0.23 -0.55 0.61 -0.22 -1.64 0.00 0.00 178.16 176.13 1wkw h LYS 184 N -0.74 0.82 -0.09 1.82 3.64 -0.48 0.54 116.57 122.08 1wkw h LYS 184 Ca -0.00 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 1wkw h LYS 184 Cb 0.72 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1wkw h LYS 184 CO -0.18 0.54 -0.57 1.49 -2.27 0.00 0.00 179.45 178.45 1wkw h GLU 185 N 0.84 0.28 -0.03 1.90 4.81 0.07 -2.90 114.58 119.55 1wkw h GLU 185 Ca 0.50 -0.18 -0.13 0.00 -0.13 0.00 0.00 59.36 59.41 1wkw h GLU 185 Cb 0.66 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1wkw h GLU 185 CO -0.26 0.77 -0.60 0.00 -0.73 0.00 0.00 179.01 178.19 1wkw h ARG 186 N 0.21 0.09 0.00 1.92 2.47 0.25 -2.80 114.38 116.52 1wkw h ARG 186 Ca -0.00 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 1wkw h ARG 186 Cb 1.07 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.40 1wkw h ARG 186 CO 0.09 0.67 -0.15 -0.07 0.56 0.00 0.00 179.97 181.07 1wkw h LEU 187 N 0.07 0.00 0.04 3.04 3.38 -0.84 -3.47 115.31 117.52 1wkw h LEU 187 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1wkw h LEU 187 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1wkw h LEU 187 CO 0.08 0.15 -0.01 0.61 0.09 0.00 0.00 178.44 179.36 1wkw n GLY 188 N 0.31 0.35 3.78 0.83 0.00 -1.06 -5.00 105.19 104.41 1wkw n GLY 188 Ca 0.01 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1wkw n GLY 188 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wkw s LEU 189 N -0.18 3.77 -0.43 0.99 0.05 -1.26 -4.86 118.68 116.76 1wkw s LEU 189 Ca 0.00 2.15 -0.42 0.00 0.05 0.00 0.00 54.13 55.91 1wkw s LEU 189 Cb 0.00 -4.57 -0.17 0.00 -2.05 0.00 0.00 46.19 39.40 1wkw s LEU 189 CO 0.00 -1.16 1.98 -2.65 -0.55 0.00 0.00 176.35 173.97 1wkw n PRO 190 N -1.24 0.44 0.06 1.48 -0.02 -1.26 -4.82 135.00 129.64 1wkw n PRO 190 Ca 0.11 0.14 0.19 0.00 -2.02 0.00 0.00 63.50 61.92 1wkw n PRO 190 Cb 0.51 -1.82 0.50 0.00 -0.02 0.00 0.00 33.50 32.67 1wkw n PRO 190 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wkw h PRO 191 N 8.68 0.00 0.00 0.52 0.11 -1.96 -0.33 132.00 139.02 1wkw h PRO 191 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1wkw h PRO 191 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1wkw h PRO 191 CO 1.03 0.00 0.00 1.57 -0.21 0.00 0.00 178.00 180.39 1wkw h LYS 192 N 0.00 0.00 -5.89 1.05 2.10 -2.03 -3.42 116.57 108.38 1wkw h LYS 192 Ca 0.24 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.28 1wkw h LYS 192 Cb 1.88 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 33.11 1wkw h LYS 192 CO -0.00 0.00 0.45 0.42 -2.00 0.00 0.00 179.45 178.31 1wkw s ILE 193 N -3.28 4.67 0.27 0.07 1.01 -0.14 -5.04 121.20 118.76 1wkw s ILE 193 Ca 0.06 0.92 -0.16 0.00 0.00 0.00 0.00 60.65 61.46 1wkw s ILE 193 Cb 0.10 -4.27 -0.08 0.00 0.01 0.00 0.00 42.46 38.22 1wkw s ILE 193 CO 0.46 -0.51 0.71 -0.69 0.00 0.00 0.00 174.94 174.90 1wkw s VAL 194 N 3.26 4.66 0.07 2.92 1.01 -1.26 -4.99 120.40 126.07 1wkw s VAL 194 Ca 0.33 1.04 0.07 0.00 0.00 0.00 0.00 61.98 63.42 1wkw s VAL 194 Cb -0.13 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1wkw s VAL 194 CO 0.18 -0.00 -0.20 0.27 0.00 0.00 0.00 175.10 175.36 1wkw s ILE 195 N -1.76 1.58 0.21 2.22 -4.36 -1.26 -4.95 121.20 112.88 1wkw s ILE 195 Ca 0.48 -1.31 0.07 0.00 -0.26 0.00 0.00 60.65 59.63 1wkw s ILE 195 Cb -0.13 -1.41 -0.04 0.00 1.25 0.00 0.00 42.46 42.13 1wkw s ILE 195 CO 0.19 0.05 0.10 -0.83 0.24 0.00 0.00 174.94 174.69 1wkw s GLY 196 N -1.49 1.61 -0.13 6.27 0.00 -1.26 -1.36 107.32 110.97 1wkw s GLY 196 Ca 0.06 -1.39 0.01 0.00 0.00 0.00 0.00 44.72 43.40 1wkw s GLY 196 CO 0.03 -1.42 -0.18 -0.47 0.00 0.00 0.00 173.10 171.06 1wkw s TYR 197 N -1.96 2.71 0.01 1.90 5.04 -0.10 -2.22 117.35 122.73 1wkw s TYR 197 Ca 0.31 -0.95 0.06 0.00 -2.44 0.00 0.00 57.07 54.05 1wkw s TYR 197 Cb -0.09 -1.81 -0.02 0.00 0.35 0.00 0.00 41.96 40.39 1wkw s TYR 197 CO 0.22 -0.39 -0.18 -0.65 -1.34 0.00 0.00 175.55 173.21 1wkw s GLN 198 N 0.53 1.33 0.10 4.97 -0.21 -0.27 0.84 119.66 126.95 1wkw s GLN 198 Ca -0.11 -0.74 -0.26 0.00 0.02 0.00 0.00 55.36 54.27 1wkw s GLN 198 Cb -0.16 -1.34 -0.07 0.00 1.00 0.00 0.00 33.01 32.44 1wkw s GLN 198 CO 0.04 0.36 0.79 0.45 -2.12 0.00 0.00 175.29 174.81 1wkw s SER 199 N -0.74 7.32 0.29 5.90 0.15 -1.26 0.42 113.70 125.77 1wkw s SER 199 Ca 0.06 1.57 -0.03 0.00 0.70 0.00 0.00 55.95 58.25 1wkw s SER 199 Cb -0.07 -2.50 0.40 0.00 -1.71 0.00 0.00 66.02 62.14 1wkw s SER 199 CO 0.00 0.09 1.96 0.45 1.20 0.00 0.00 173.24 176.94 1wkw h HIS 200 N 5.10 1.10 -0.00 3.44 -0.00 -1.61 -2.32 115.15 120.85 1wkw h HIS 200 Ca -0.45 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 1wkw h HIS 200 Cb 1.21 -0.37 -0.00 0.00 -0.00 0.00 0.00 27.41 28.25 1wkw h HIS 200 CO 0.65 0.69 0.07 0.00 -0.00 0.00 0.00 177.93 179.33 1wkw h ALA 201 N 1.46 1.07 -0.33 2.45 0.00 -1.80 -0.87 119.26 121.24 1wkw h ALA 201 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1wkw h ALA 201 Cb -0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1wkw h ALA 201 CO -0.07 -0.07 0.00 -0.25 0.00 0.00 0.00 179.25 178.86 1wkw n ASP 202 N -3.04 2.94 -4.60 0.00 10.43 -0.87 -4.96 116.55 116.44 1wkw n ASP 202 Ca -0.03 -1.92 -0.50 0.00 2.57 0.00 0.00 54.79 54.91 1wkw n ASP 202 Cb 0.13 -0.21 -0.05 0.00 1.84 0.00 0.00 41.12 42.83 1wkw n ASP 202 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1wkw n THR 203 N 1.15 0.22 -1.49 -3.53 -2.24 -0.33 -4.78 114.28 103.28 1wkw n THR 203 Ca 0.18 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.48 1wkw n THR 203 Cb 0.52 -0.97 -0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1wkw n THR 203 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wkw n ALA 204 N 2.44 -1.25 0.00 6.98 0.00 -1.26 -4.88 120.51 122.53 1wkw n ALA 204 Ca 0.17 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1wkw n ALA 204 Cb 0.22 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1wkw n ALA 204 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wkw n THR 205 N -0.49 0.00 0.00 0.00 -1.04 -1.26 -4.98 114.28 106.51 1wkw n THR 205 Ca 0.12 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1wkw n THR 205 Cb 0.36 0.26 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 1wkw n THR 205 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1wkw n LYS 206 N -0.17 0.00 -3.12 -2.82 0.00 -1.26 -4.98 118.16 105.80 1wkw n LYS 206 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.34 1wkw n LYS 206 Cb 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 35.03 34.75 1wkw n LYS 206 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1wkw s SER 207 N -1.07 -1.18 0.00 3.14 0.01 -1.26 -4.93 113.70 108.41 1wkw s SER 207 Ca 0.00 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1wkw s SER 207 Cb 0.00 1.65 0.00 0.00 0.21 0.00 0.00 66.02 67.88 1wkw s SER 207 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1wkw n GLY 208 N 4.93 1.28 2.85 3.44 0.00 -1.26 -4.64 105.19 111.79 1wkw n GLY 208 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1wkw n GLY 208 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wkw n SER 209 N 2.68 -1.84 -2.22 1.61 3.41 -1.26 -4.20 113.62 111.80 1wkw n SER 209 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wkw n SER 209 Cb 0.00 -1.87 0.00 0.00 -0.26 0.00 0.00 64.21 62.08 1wkw n SER 209 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wkw n THR 210 N -0.96-13.44 -3.15 6.66 -2.24 -1.26 -4.97 114.28 94.92 1wkw n THR 210 Ca 0.00 3.26 -0.39 0.00 -2.27 0.00 0.00 64.05 64.65 1wkw n THR 210 Cb 0.15 -5.87 -0.06 0.00 -2.10 0.00 0.00 70.33 62.46 1wkw n THR 210 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wkw s THR 211 N -0.56 4.63 0.21 4.28 -4.23 -1.26 -4.88 115.64 113.84 1wkw s THR 211 Ca 0.00 1.41 0.00 0.00 -1.18 0.00 0.00 61.69 61.92 1wkw s THR 211 Cb 0.00 -4.00 -0.04 0.00 1.34 0.00 0.00 72.50 69.80 1wkw s THR 211 CO 0.00 0.52 0.10 -0.54 -0.54 0.00 0.00 174.62 174.15 1wkw s LYS 212 N -0.95 1.23 -0.08 3.99 1.02 -1.26 -5.13 119.74 118.56 1wkw s LYS 212 Ca 0.32 -1.64 -0.01 0.00 0.02 0.00 0.00 55.97 54.65 1wkw s LYS 212 Cb -0.21 0.03 -0.03 0.00 -0.52 0.00 0.00 37.83 37.10 1wkw s LYS 212 CO 0.21 -0.32 -0.01 -0.80 -0.92 0.00 0.00 175.35 173.52 1wkw s ASN 213 N -3.20 5.18 0.03 2.83 0.01 -1.26 -4.55 114.94 113.97 1wkw s ASN 213 Ca 0.35 0.13 0.01 0.00 -0.71 0.00 0.00 52.86 52.64 1wkw s ASN 213 Cb 0.07 -1.44 -0.26 0.00 0.41 0.00 0.00 41.25 40.04 1wkw s ASN 213 CO 0.11 0.37 0.95 0.03 -1.51 0.00 0.00 177.10 177.05 1wkw h ARG 214 N 5.14 0.17 -4.53 -0.60 2.47 0.05 -3.47 114.38 113.61 1wkw h ARG 214 Ca -0.51 -0.29 -0.20 0.00 -1.26 0.00 0.00 59.98 57.73 1wkw h ARG 214 Cb 1.19 0.11 -0.15 0.00 -1.65 0.00 0.00 29.97 29.47 1wkw h ARG 214 CO 0.54 1.03 -0.69 -0.06 0.56 0.00 0.00 179.97 181.35 1wkw s PHE 215 N -2.64 0.80 -0.08 3.04 0.40 -1.20 -5.00 117.98 113.30 1wkw s PHE 215 Ca -0.06 -0.98 -0.08 0.00 -0.60 0.00 0.00 56.93 55.21 1wkw s PHE 215 Cb 0.08 -0.49 0.02 0.00 0.51 0.00 0.00 43.02 43.14 1wkw s PHE 215 CO 0.85 -0.23 0.23 0.14 0.70 0.00 0.00 175.22 176.90 1wkw s VAL 216 N -3.73 0.00 0.00 -0.44 -7.23 -1.26 -0.93 120.40 106.82 1wkw s VAL 216 Ca 0.12 -0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 1wkw s VAL 216 Cb 0.06 -0.34 0.00 0.00 0.56 0.00 0.00 36.38 36.67 1wkw s VAL 216 CO -0.06 -0.02 0.00 1.33 -0.31 0.00 0.00 175.10 176.05