#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9w s ILE 1 N 0.00 3.08 -0.18 1.12 -4.36 -1.26 -5.10 121.20 114.50 1s9w s ILE 1 Ca 0.00 0.12 -0.12 0.00 -0.26 0.00 0.00 60.65 60.39 1s9w s ILE 1 Cb 0.00 -3.31 0.06 0.00 1.25 0.00 0.00 42.46 40.46 1s9w s ILE 1 CO 0.00 -0.36 0.46 -1.10 0.24 0.00 0.00 174.94 174.17 1s9w s GLN 2 N -5.26 0.47 -0.10 0.37 -0.21 -1.26 -4.61 119.66 109.07 1s9w s GLN 2 Ca 0.58 0.79 0.02 0.00 0.02 0.00 0.00 55.36 56.76 1s9w s GLN 2 Cb -0.11 0.08 0.01 0.00 1.00 0.00 0.00 33.01 34.00 1s9w s GLN 2 CO 0.48 -0.13 -0.15 1.03 -2.12 0.00 0.00 175.29 174.40 1s9w s ARG 3 N 1.05 2.11 0.42 2.91 3.00 -0.74 -4.94 118.95 122.76 1s9w s ARG 3 Ca -0.07 -0.53 -0.23 0.00 0.00 0.00 0.00 55.73 54.90 1s9w s ARG 3 Cb -0.06 -1.77 -0.09 0.00 0.00 0.00 0.00 34.95 33.03 1s9w s ARG 3 CO -0.09 -0.03 1.06 -0.08 0.00 0.00 0.00 175.30 176.16 1s9w s THR 4 N 0.88 3.68 0.29 0.02 -1.32 -1.26 -2.18 115.64 115.75 1s9w s THR 4 Ca -0.09 1.24 -0.29 0.00 -1.21 0.00 0.00 61.69 61.34 1s9w s THR 4 Cb -0.15 -3.62 -0.09 0.00 -1.51 0.00 0.00 72.50 67.13 1s9w s THR 4 CO 0.00 -0.04 1.07 -2.16 -2.21 0.00 0.00 174.62 171.28 1s9w s PRO 5 N -2.65 4.60 0.29 7.08 0.04 -1.26 -4.37 135.00 138.73 1s9w s PRO 5 Ca 0.60 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 63.25 1s9w s PRO 5 Cb -0.22 -3.09 -0.07 0.00 0.04 0.00 0.00 34.50 31.16 1s9w s PRO 5 CO 0.27 0.20 0.62 0.15 0.04 0.00 0.00 177.00 178.28 1s9w s LYS 6 N -1.58 3.79 -0.01 4.56 1.02 0.10 -4.89 119.74 122.73 1s9w s LYS 6 Ca 0.46 0.32 0.01 0.00 0.02 0.00 0.00 55.97 56.77 1s9w s LYS 6 Cb -0.29 -2.56 0.01 0.00 -0.52 0.00 0.00 37.83 34.47 1s9w s LYS 6 CO 0.37 0.20 -0.01 0.42 -0.92 0.00 0.00 175.35 175.41 1s9w s ILE 7 N -2.02 0.18 -0.04 2.17 1.01 -1.26 -2.01 121.20 119.23 1s9w s ILE 7 Ca 0.48 -0.02 -0.00 0.00 0.00 0.00 0.00 60.65 61.11 1s9w s ILE 7 Cb -0.11 -0.20 0.03 0.00 0.01 0.00 0.00 42.46 42.19 1s9w s ILE 7 CO 0.25 0.09 0.01 -1.10 0.00 0.00 0.00 174.94 174.18 1s9w s GLN 8 N 0.37 0.36 -0.13 2.79 -0.21 -0.89 -5.01 119.66 116.94 1s9w s GLN 8 Ca -0.03 0.12 -0.01 0.00 0.02 0.00 0.00 55.36 55.46 1s9w s GLN 8 Cb -0.06 -0.64 -0.02 0.00 1.00 0.00 0.00 33.01 33.29 1s9w s GLN 8 CO -0.01 -0.21 -0.11 0.08 -2.12 0.00 0.00 175.29 172.93 1s9w s VAL 9 N 1.46 3.28 0.20 1.09 1.01 -1.26 -0.91 120.40 125.28 1s9w s VAL 9 Ca -0.03 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.14 1s9w s VAL 9 Cb -0.13 -2.38 0.07 0.00 0.00 0.00 0.00 36.38 33.94 1s9w s VAL 9 CO -0.03 0.52 1.00 -0.72 0.00 0.00 0.00 175.10 175.88 1s9w s TYR 10 N 0.23 0.05 0.18 5.22 1.13 -0.50 -4.56 117.35 119.10 1s9w s TYR 10 Ca -0.07 -0.47 0.07 0.00 -1.41 0.00 0.00 57.07 55.20 1s9w s TYR 10 Cb -0.15 0.71 -0.04 0.00 -1.10 0.00 0.00 41.96 41.38 1s9w s TYR 10 CO 0.05 -0.98 0.01 -1.54 -2.51 0.00 0.00 175.55 170.57 1s9w s SER 11 N -3.31 4.78 0.13 -0.18 1.04 -1.26 0.90 113.70 115.80 1s9w s SER 11 Ca 0.20 -0.41 -0.15 0.00 0.48 0.00 0.00 55.95 56.07 1s9w s SER 11 Cb -0.03 -1.02 -0.00 0.00 0.10 0.00 0.00 66.02 65.08 1s9w s SER 11 CO 0.06 0.08 1.63 -0.09 0.98 0.00 0.00 173.24 175.89 1s9w h ARG 12 N 2.59 0.69 -6.11 4.02 2.43 -1.64 -3.45 114.38 112.91 1s9w h ARG 12 Ca -0.47 -0.17 -0.60 0.00 -0.81 0.00 0.00 59.98 57.93 1s9w h ARG 12 Cb 1.21 -0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 30.55 1s9w h ARG 12 CO 0.58 0.71 -0.69 -1.01 -1.51 0.00 0.00 179.97 178.05 1s9w s HIS 13 N -5.28 2.44 0.01 2.20 3.76 -1.26 -5.05 115.29 112.11 1s9w s HIS 13 Ca -0.13 -0.37 -0.30 0.00 -0.15 0.00 0.00 55.06 54.11 1s9w s HIS 13 Cb 0.10 -1.22 -0.09 0.00 1.11 0.00 0.00 32.58 32.48 1s9w s HIS 13 CO 0.78 0.62 2.00 -0.35 -0.85 0.00 0.00 174.74 176.93 1s9w n PRO 14 N -0.78 2.79 -1.55 8.40 -0.04 -1.26 -4.88 135.00 137.68 1s9w n PRO 14 Ca -0.05 1.01 -0.45 0.00 -0.04 0.00 0.00 63.50 63.96 1s9w n PRO 14 Cb 0.61 -3.02 -0.02 0.00 -0.04 0.00 0.00 33.50 31.03 1s9w n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s9w n ALA 15 N 7.87 -0.83 -3.22 0.55 0.00 -1.26 -5.01 120.51 118.62 1s9w n ALA 15 Ca 0.21 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 54.04 1s9w n ALA 15 Cb 0.41 -1.93 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 1s9w n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1s9w s GLU 16 N -1.44 0.49 0.12 0.00 2.12 -1.26 -5.14 118.70 113.60 1s9w s GLU 16 Ca 0.60 0.64 -0.34 0.00 0.36 0.00 0.00 54.97 56.22 1s9w s GLU 16 Cb -0.75 0.11 -0.17 0.00 0.26 0.00 0.00 34.13 33.58 1s9w s GLU 16 CO 0.59 -0.81 1.09 0.09 -0.54 0.00 0.00 175.26 175.68 1s9w n ASN 17 N 5.40 0.76 0.00 -1.70 3.02 -1.25 -1.81 115.26 119.69 1s9w n ASN 17 Ca 0.00 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.69 1s9w n ASN 17 Cb 0.51 -1.11 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 1s9w n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s9w n GLY 18 N 1.97 3.11 3.57 7.41 0.00 -0.42 -5.00 105.19 115.83 1s9w n GLY 18 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1s9w n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9w s LYS 19 N -0.75 3.84 0.46 1.61 1.02 -0.75 -4.98 119.74 120.19 1s9w s LYS 19 Ca 0.00 -0.42 -0.24 0.00 0.02 0.00 0.00 55.97 55.33 1s9w s LYS 19 Cb 0.00 -3.10 -0.08 0.00 -0.52 0.00 0.00 37.83 34.12 1s9w s LYS 19 CO 0.00 0.23 1.32 -1.13 -0.92 0.00 0.00 175.35 174.85 1s9w n SER 20 N 3.62 2.71 0.00 2.83 3.41 -1.26 -4.14 113.62 120.78 1s9w n SER 20 Ca -0.17 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 1s9w n SER 20 Cb 0.52 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 1s9w n SER 20 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1s9w n ASN 21 N -0.18 0.00 -3.71 4.04 2.85 0.37 -4.95 115.26 113.67 1s9w n ASN 21 Ca 0.07 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.37 1s9w n ASN 21 Cb 0.41 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.27 1s9w n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1s9w s PHE 22 N -0.76 -0.03 -0.20 1.20 0.40 -1.26 -1.90 117.98 115.42 1s9w s PHE 22 Ca 0.00 0.32 -0.20 0.00 -0.60 0.00 0.00 56.93 56.45 1s9w s PHE 22 Cb 0.00 -0.30 -0.03 0.00 0.51 0.00 0.00 43.02 43.21 1s9w s PHE 22 CO 0.00 -0.17 0.59 -1.17 0.70 0.00 0.00 175.22 175.17 1s9w s LEU 23 N 1.69 4.14 0.07 -0.37 2.96 -0.01 -1.48 118.68 125.67 1s9w s LEU 23 Ca -0.02 0.77 0.06 0.00 -0.22 0.00 0.00 54.13 54.72 1s9w s LEU 23 Cb -0.12 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.70 1s9w s LEU 23 CO -0.04 -0.25 -0.11 0.20 -1.32 0.00 0.00 176.35 174.83 1s9w s ASN 24 N 1.21 4.33 -0.27 3.68 0.01 0.26 -2.12 114.94 122.05 1s9w s ASN 24 Ca 0.27 -0.34 -0.02 0.00 -0.71 0.00 0.00 52.86 52.06 1s9w s ASN 24 Cb -0.16 -0.85 0.09 0.00 0.41 0.00 0.00 41.25 40.74 1s9w s ASN 24 CO 0.10 0.22 0.09 0.00 -1.51 0.00 0.00 177.10 176.00 1s9w s TYR 26 N 1.83 3.21 -0.16 0.00 5.04 -0.08 -1.26 117.35 125.93 1s9w s TYR 26 Ca 0.06 -0.25 -0.04 0.00 -2.44 0.00 0.00 57.07 54.40 1s9w s TYR 26 Cb -0.17 -2.65 -0.03 0.00 0.35 0.00 0.00 41.96 39.47 1s9w s TYR 26 CO -0.23 -0.50 -0.02 0.14 -1.34 0.00 0.00 175.55 173.60 1s9w s VAL 27 N 1.90 4.03 0.25 3.14 -7.23 -0.57 -2.10 120.40 119.83 1s9w s VAL 27 Ca 0.09 -0.31 -0.05 0.00 -1.81 0.00 0.00 61.98 59.90 1s9w s VAL 27 Cb -0.17 -2.77 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 1s9w s VAL 27 CO 0.11 0.49 0.33 -0.94 -0.31 0.00 0.00 175.10 174.79 1s9w s SER 28 N 0.34 0.31 -1.30 4.85 1.04 -0.85 -0.91 113.70 117.18 1s9w s SER 28 Ca -0.03 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.14 1s9w s SER 28 Cb -0.14 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1s9w s SER 28 CO 0.03 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1s9w n GLY 29 N -0.39 1.32 3.92 7.32 0.00 -0.39 0.01 105.19 116.98 1s9w n GLY 29 Ca 0.01 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 1s9w n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s9w s PHE 30 N -2.44 3.08 -0.29 1.61 -0.71 -1.18 -4.37 117.98 113.67 1s9w s PHE 30 Ca 0.00 -0.21 -0.20 0.00 -1.04 0.00 0.00 56.93 55.48 1s9w s PHE 30 Cb 0.00 -1.80 0.17 0.00 -1.21 0.00 0.00 43.02 40.17 1s9w s PHE 30 CO 0.00 0.18 1.15 -1.58 -1.34 0.00 0.00 175.22 173.63 1s9w s HIS 31 N -2.19 -0.32 1.33 3.49 2.46 -0.93 -1.60 115.29 117.52 1s9w s HIS 31 Ca 0.41 0.70 -0.22 0.00 0.47 0.00 0.00 55.06 56.41 1s9w s HIS 31 Cb -0.08 0.31 0.34 0.00 -0.13 0.00 0.00 32.58 33.02 1s9w s HIS 31 CO 0.28 -0.16 0.91 -0.35 -2.47 0.00 0.00 174.74 172.96 1s9w n PRO 32 N 2.79 -4.15 0.16 2.88 -0.04 -1.26 -1.78 135.00 133.59 1s9w n PRO 32 Ca -0.15 -1.51 0.03 0.00 -0.04 0.00 0.00 63.50 61.83 1s9w n PRO 32 Cb 0.57 -1.73 0.20 0.00 -0.04 0.00 0.00 33.50 32.50 1s9w n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1s9w h SER 33 N -3.24 0.00 -1.88 3.54 4.64 -2.00 -3.45 113.55 111.16 1s9w h SER 33 Ca -0.38 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.30 1s9w h SER 33 Cb 1.25 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1s9w h SER 33 CO 0.24 0.50 1.12 -0.67 -0.87 0.00 0.00 176.83 177.15 1s9w n ASP 34 N -3.50 3.20 -3.63 4.97 2.03 -1.26 -4.94 116.55 113.42 1s9w n ASP 34 Ca 0.00 0.91 -0.16 0.00 0.52 0.00 0.00 54.79 56.06 1s9w n ASP 34 Cb 0.61 -1.34 -0.07 0.00 -0.72 0.00 0.00 41.12 39.60 1s9w n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1s9w s ILE 35 N 4.47 0.02 -0.15 5.18 2.07 -1.26 -4.61 121.20 126.91 1s9w s ILE 35 Ca 0.95 -0.13 -0.01 0.00 -1.41 0.00 0.00 60.65 60.05 1s9w s ILE 35 Cb -0.74 -0.84 -0.01 0.00 0.13 0.00 0.00 42.46 40.99 1s9w s ILE 35 CO 0.53 -0.07 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.76 1s9w s GLU 36 N -0.84 3.35 -0.04 3.50 2.02 -0.69 -5.00 118.70 120.99 1s9w s GLU 36 Ca -0.09 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1s9w s GLU 36 Cb -0.02 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.52 1s9w s GLU 36 CO 0.06 0.08 -0.02 0.08 0.02 0.00 0.00 175.26 175.49 1s9w s VAL 37 N 0.69 0.37 0.02 2.63 1.01 -1.26 -0.85 120.40 123.01 1s9w s VAL 37 Ca -0.06 0.01 0.04 0.00 0.00 0.00 0.00 61.98 61.97 1s9w s VAL 37 Cb -0.15 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 1s9w s VAL 37 CO 0.02 0.20 -0.13 -1.81 0.00 0.00 0.00 175.10 173.39 1s9w s ASP 38 N 1.17 1.47 -0.27 3.32 1.01 -0.01 -4.98 116.67 118.38 1s9w s ASP 38 Ca -0.07 -0.37 -0.10 0.00 0.71 0.00 0.00 52.55 52.72 1s9w s ASP 38 Cb -0.14 -0.11 -0.04 0.00 1.01 0.00 0.00 42.92 43.64 1s9w s ASP 38 CO -0.02 0.05 0.15 -0.76 0.21 0.00 0.00 175.17 174.80 1s9w s LEU 39 N -0.85 3.83 -0.15 1.23 1.02 -1.26 0.14 118.68 122.63 1s9w s LEU 39 Ca 0.02 -0.07 -0.09 0.00 0.02 0.00 0.00 54.13 54.01 1s9w s LEU 39 Cb -0.07 -2.05 -0.04 0.00 0.02 0.00 0.00 46.19 44.05 1s9w s LEU 39 CO 0.01 -0.04 0.16 -0.76 0.02 0.00 0.00 176.35 175.74 1s9w s LEU 40 N 1.67 4.32 -0.28 1.79 1.43 -0.43 -1.51 118.68 125.66 1s9w s LEU 40 Ca 0.07 0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 53.57 1s9w s LEU 40 Cb -0.16 -2.12 0.05 0.00 0.03 0.00 0.00 46.19 44.00 1s9w s LEU 40 CO 0.08 0.31 -0.04 -0.75 0.23 0.00 0.00 176.35 176.18 1s9w s LYS 41 N -0.45 2.43 -1.44 1.70 2.20 0.64 -1.83 119.74 122.99 1s9w s LYS 41 Ca 0.13 -1.25 -0.10 0.00 -0.36 0.00 0.00 55.97 54.39 1s9w s LYS 41 Cb -0.12 -3.07 0.05 0.00 -1.51 0.00 0.00 37.83 33.18 1s9w s LYS 41 CO 0.02 -0.58 0.99 0.09 -0.36 0.00 0.00 175.35 175.51 1s9w n ASN 42 N 4.57 -4.42 0.00 1.43 3.02 0.28 -2.10 115.26 118.04 1s9w n ASN 42 Ca -0.14 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1s9w n ASN 42 Cb 0.43 -4.25 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 1s9w n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s9w n GLY 43 N -1.72 2.99 3.88 7.41 0.00 -1.26 -5.01 105.19 111.47 1s9w n GLY 43 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1s9w n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s9w s GLU 44 N -0.22 3.47 0.48 1.61 2.02 -0.89 -4.97 118.70 120.20 1s9w s GLU 44 Ca 0.00 -0.13 -0.21 0.00 0.02 0.00 0.00 54.97 54.65 1s9w s GLU 44 Cb 0.00 -3.17 -0.08 0.00 0.10 0.00 0.00 34.13 30.98 1s9w s GLU 44 CO 0.00 0.75 1.09 -0.98 0.02 0.00 0.00 175.26 176.14 1s9w s ARG 45 N -1.21 3.72 0.15 1.61 1.70 -1.26 -0.26 118.95 123.40 1s9w s ARG 45 Ca 0.18 1.53 -0.02 0.00 -0.47 0.00 0.00 55.73 56.95 1s9w s ARG 45 Cb -0.12 -2.20 -0.05 0.00 -0.57 0.00 0.00 34.95 32.01 1s9w s ARG 45 CO 0.07 -0.53 0.35 0.42 -1.08 0.00 0.00 175.30 174.53 1s9w s ILE 46 N -1.79 5.23 -0.48 4.99 1.01 -0.57 -4.86 121.20 124.72 1s9w s ILE 46 Ca 0.67 -0.20 0.08 0.00 0.00 0.00 0.00 60.65 61.20 1s9w s ILE 46 Cb -0.22 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 1s9w s ILE 46 CO 0.26 -0.01 0.40 1.21 0.00 0.00 0.00 174.94 176.80 1s9w n GLU 47 N -0.13 3.72 -0.12 2.79 4.07 -1.26 -4.46 120.64 125.26 1s9w n GLU 47 Ca -0.04 -0.18 -0.00 0.00 -0.06 0.00 0.00 57.16 56.88 1s9w n GLU 47 Cb 0.52 -0.91 0.04 0.00 -0.06 0.00 0.00 31.44 31.03 1s9w n GLU 47 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1s9w n LYS 48 N -0.87 1.39 -2.79 5.31 3.00 -1.26 -4.89 118.16 118.04 1s9w n LYS 48 Ca 0.02 -0.37 -0.38 0.00 -0.00 0.00 0.00 58.31 57.58 1s9w n LYS 48 Cb 0.13 -1.48 -0.06 0.00 0.00 0.00 0.00 35.03 33.62 1s9w n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1s9w s VAL 49 N -1.01 4.19 0.25 3.15 1.01 -1.26 -4.72 120.40 122.00 1s9w s VAL 49 Ca 0.07 1.88 0.02 0.00 0.00 0.00 0.00 61.98 63.95 1s9w s VAL 49 Cb 0.05 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1s9w s VAL 49 CO 0.02 0.28 0.07 -1.61 0.00 0.00 0.00 175.10 173.85 1s9w s GLU 50 N -1.73 1.38 0.05 2.72 2.02 -0.56 -4.99 118.70 117.60 1s9w s GLU 50 Ca 0.46 -1.73 -0.15 0.00 0.02 0.00 0.00 54.97 53.57 1s9w s GLU 50 Cb -0.21 -0.35 0.02 0.00 0.10 0.00 0.00 34.13 33.69 1s9w s GLU 50 CO 0.26 -0.24 0.33 -3.38 0.02 0.00 0.00 175.26 172.25 1s9w s HIS 51 N -3.67 -0.14 0.91 1.61 -3.43 -1.26 -0.78 115.29 108.53 1s9w s HIS 51 Ca 0.35 0.00 -0.12 0.00 -0.80 0.00 0.00 55.06 54.49 1s9w s HIS 51 Cb 0.07 0.13 0.13 0.00 -1.43 0.00 0.00 32.58 31.49 1s9w s HIS 51 CO 0.12 -0.53 1.12 -1.54 -2.00 0.00 0.00 174.74 171.91 1s9w s SER 52 N -2.11 3.52 0.30 7.38 1.04 -0.65 -4.98 113.70 118.20 1s9w s SER 52 Ca -0.04 1.07 -0.29 0.00 0.48 0.00 0.00 55.95 57.17 1s9w s SER 52 Cb -0.01 -1.69 -0.10 0.00 0.10 0.00 0.00 66.02 64.33 1s9w s SER 52 CO -0.04 -2.56 1.12 -1.81 0.98 0.00 0.00 173.24 170.93 1s9w s ASP 53 N -3.90 7.14 0.06 7.02 1.01 -1.26 -4.72 116.67 122.02 1s9w s ASP 53 Ca 0.64 2.29 -0.34 0.00 0.71 0.00 0.00 52.55 55.84 1s9w s ASP 53 Cb -0.15 -2.62 -0.13 0.00 1.01 0.00 0.00 42.92 41.02 1s9w s ASP 53 CO 0.54 -0.24 1.68 -0.11 0.21 0.00 0.00 175.17 177.26 1s9w n LEU 54 N 0.98 3.15 -4.19 1.23 7.94 -1.26 -4.93 117.00 119.93 1s9w n LEU 54 Ca -0.00 1.04 -0.14 0.00 -1.11 0.00 0.00 56.01 55.80 1s9w n LEU 54 Cb 0.45 -1.39 -0.09 0.00 0.53 0.00 0.00 43.42 42.92 1s9w n LEU 54 CO 0.53 -0.24 -0.13 -0.55 -1.11 0.00 0.00 177.39 175.90 1s9w s SER 55 N 2.08 0.57 0.09 1.96 0.15 -1.23 -5.05 113.70 112.27 1s9w s SER 55 Ca 0.84 -1.44 -0.06 0.00 0.70 0.00 0.00 55.95 55.99 1s9w s SER 55 Cb -0.70 0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 64.06 1s9w s SER 55 CO 0.44 -0.97 0.13 0.72 1.20 0.00 0.00 173.24 174.76 1s9w s PHE 56 N -3.87 0.30 0.82 3.44 -0.12 -1.26 -1.44 117.98 115.85 1s9w s PHE 56 Ca 0.37 -0.76 -0.07 0.00 -0.05 0.00 0.00 56.93 56.43 1s9w s PHE 56 Cb 0.04 -0.17 0.16 0.00 -0.63 0.00 0.00 43.02 42.43 1s9w s PHE 56 CO 0.16 -0.51 1.13 -1.12 -0.05 0.00 0.00 175.22 174.83 1s9w s SER 57 N -2.89 3.81 0.52 1.98 0.01 0.81 -4.91 113.70 113.03 1s9w s SER 57 Ca 0.07 -0.16 0.20 0.00 1.31 0.00 0.00 55.95 57.37 1s9w s SER 57 Cb 0.06 -0.06 1.33 0.00 0.21 0.00 0.00 66.02 67.56 1s9w s SER 57 CO -0.09 -2.24 2.08 0.50 0.41 0.00 0.00 173.24 173.89 1s9w h LYS 58 N -0.98 0.00 -0.26 12.44 3.64 -2.03 0.17 116.57 129.56 1s9w h LYS 58 Ca -0.39 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1s9w h LYS 58 Cb 1.25 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1s9w h LYS 58 CO 0.38 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.16 1s9w n ASP 59 N -4.46 1.04 0.00 4.20 5.68 -1.26 -4.87 116.55 116.88 1s9w n ASP 59 Ca 0.03 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 1s9w n ASP 59 Cb 0.33 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1s9w n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1s9w n TRP 60 N 0.01 0.00 -2.68 2.11 7.02 0.60 -4.99 117.44 119.52 1s9w n TRP 60 Ca 0.06 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.15 1s9w n TRP 60 Cb 0.18 -0.72 -0.06 0.00 -2.42 0.00 0.00 31.31 28.29 1s9w n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1s9w s SER 61 N -2.37 7.32 0.57 -0.99 1.04 -1.26 -4.72 113.70 113.30 1s9w s SER 61 Ca 0.00 1.98 -0.08 0.00 0.48 0.00 0.00 55.95 58.33 1s9w s SER 61 Cb 0.00 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.50 1s9w s SER 61 CO 0.00 -0.08 0.93 -0.36 0.98 0.00 0.00 173.24 174.70 1s9w s PHE 62 N -1.42 3.51 -0.09 5.02 0.08 -0.63 -0.14 117.98 124.31 1s9w s PHE 62 Ca 0.48 0.98 -0.17 0.00 0.12 0.00 0.00 56.93 58.34 1s9w s PHE 62 Cb -0.24 -2.61 0.04 0.00 -0.57 0.00 0.00 43.02 39.64 1s9w s PHE 62 CO 0.30 -0.62 0.42 1.52 -0.10 0.00 0.00 175.22 176.74 1s9w s TYR 63 N -3.01 -0.39 0.01 0.36 -0.85 -0.52 -1.26 117.35 111.69 1s9w s TYR 63 Ca 0.52 0.83 -0.09 0.00 -0.52 0.00 0.00 57.07 57.82 1s9w s TYR 63 Cb -0.11 0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.41 1s9w s TYR 63 CO 0.49 -0.34 0.17 -0.51 -1.52 0.00 0.00 175.55 173.84 1s9w s LEU 64 N -0.52 1.45 -0.24 -3.49 1.43 -0.08 -3.47 118.68 113.75 1s9w s LEU 64 Ca -0.06 -0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1s9w s LEU 64 Cb -0.03 0.79 0.03 0.00 0.03 0.00 0.00 46.19 47.01 1s9w s LEU 64 CO 0.03 -0.42 -0.09 -0.22 0.23 0.00 0.00 176.35 175.88 1s9w s LEU 65 N -1.53 3.04 -0.18 1.79 2.96 -1.26 -1.51 118.68 121.99 1s9w s LEU 65 Ca -0.13 -0.92 -0.09 0.00 -0.22 0.00 0.00 54.13 52.78 1s9w s LEU 65 Cb -0.06 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 1s9w s LEU 65 CO 0.01 -0.11 0.11 -0.31 -1.32 0.00 0.00 176.35 174.73 1s9w s TYR 66 N 1.28 3.40 0.11 5.38 1.51 -0.39 -1.63 117.35 127.00 1s9w s TYR 66 Ca -0.00 0.30 -0.10 0.00 -1.01 0.00 0.00 57.07 56.26 1s9w s TYR 66 Cb -0.17 -2.10 0.00 0.00 -0.11 0.00 0.00 41.96 39.58 1s9w s TYR 66 CO -0.06 0.33 0.24 1.52 -1.11 0.00 0.00 175.55 176.47 1s9w s TYR 67 N 0.14 0.15 -0.18 2.71 1.13 0.04 -0.25 117.35 121.08 1s9w s TYR 67 Ca 0.08 -0.55 -0.27 0.00 -1.41 0.00 0.00 57.07 54.92 1s9w s TYR 67 Cb -0.11 -0.01 0.08 0.00 -1.10 0.00 0.00 41.96 40.81 1s9w s TYR 67 CO -0.01 -0.60 0.75 -0.08 -2.51 0.00 0.00 175.55 173.11 1s9w s THR 68 N -3.87 0.00 0.55 -3.49 -1.32 -0.90 -1.49 115.64 105.12 1s9w s THR 68 Ca 0.07 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.36 1s9w s THR 68 Cb 0.04 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.98 1s9w s THR 68 CO -0.09 0.00 1.15 -0.70 -2.21 0.00 0.00 174.62 172.77 1s9w s GLU 69 N -0.30 3.28 0.05 7.08 2.12 -1.26 -0.83 118.70 128.84 1s9w s GLU 69 Ca -0.04 1.66 -0.28 0.00 0.36 0.00 0.00 54.97 56.67 1s9w s GLU 69 Cb -0.03 -1.99 0.10 0.00 0.26 0.00 0.00 34.13 32.47 1s9w s GLU 69 CO 0.04 -0.92 1.17 -0.59 -0.54 0.00 0.00 175.26 174.42 1s9w s PHE 70 N -1.73 -0.07 -0.25 5.30 -0.71 -0.80 -4.82 117.98 114.91 1s9w s PHE 70 Ca 0.74 -0.11 0.00 0.00 -1.04 0.00 0.00 56.93 56.52 1s9w s PHE 70 Cb -0.25 0.58 0.07 0.00 -1.21 0.00 0.00 43.02 42.21 1s9w s PHE 70 CO 0.28 -0.47 -0.01 0.99 -1.34 0.00 0.00 175.22 174.66 1s9w s THR 71 N -2.70 1.40 0.24 -4.49 2.01 -1.26 0.14 115.64 110.97 1s9w s THR 71 Ca 0.14 -1.27 -0.31 0.00 0.31 0.00 0.00 61.69 60.56 1s9w s THR 71 Cb 0.03 -1.77 -0.11 0.00 0.01 0.00 0.00 72.50 70.65 1s9w s THR 71 CO -0.02 -0.24 1.60 -2.16 -0.69 0.00 0.00 174.62 173.12 1s9w s PRO 72 N 1.43 4.16 0.40 4.92 0.04 -1.26 -4.76 135.00 139.94 1s9w s PRO 72 Ca -0.02 2.51 0.03 0.00 0.04 0.00 0.00 61.00 63.57 1s9w s PRO 72 Cb -0.18 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 1s9w s PRO 72 CO -0.09 -0.63 0.10 0.95 0.04 0.00 0.00 177.00 177.37 1s9w s THR 73 N 0.48 0.79 -0.02 1.26 -4.23 -1.26 -1.30 115.64 111.36 1s9w s THR 73 Ca 0.67 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.29 1s9w s THR 73 Cb -0.47 -2.42 -0.07 0.00 1.34 0.00 0.00 72.50 70.89 1s9w s THR 73 CO 0.40 0.00 1.37 -0.08 -0.54 0.00 0.00 174.62 175.78 1s9w h GLU 74 N 1.80 0.00 0.00 3.99 4.57 -1.98 -3.35 114.58 119.60 1s9w h GLU 74 Ca -0.37 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.59 1s9w h GLU 74 Cb 1.27 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.82 1s9w h GLU 74 CO 0.62 0.74 -2.22 0.36 -1.18 0.00 0.00 179.01 177.33 1s9w n LYS 75 N -3.29 0.69 -2.40 1.92 0.00 -1.26 -4.95 118.16 108.87 1s9w n LYS 75 Ca 0.01 -0.09 -0.42 0.00 -0.00 0.00 0.00 58.31 57.81 1s9w n LYS 75 Cb 0.83 -1.52 -0.03 0.00 -0.00 0.00 0.00 35.03 34.31 1s9w n LYS 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1s9w s ASP 76 N -5.07 7.06 -0.09 -5.58 1.01 -1.26 -5.03 116.67 107.71 1s9w s ASP 76 Ca -0.09 2.07 -0.01 0.00 0.71 0.00 0.00 52.55 55.23 1s9w s ASP 76 Cb 0.09 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 1s9w s ASP 76 CO 0.86 -0.47 -0.04 -1.61 0.21 0.00 0.00 175.17 174.11 1s9w s GLU 77 N 0.88 3.01 0.14 8.23 0.41 -1.26 -4.66 118.70 125.44 1s9w s GLU 77 Ca 0.58 -0.51 0.04 0.00 -0.41 0.00 0.00 54.97 54.68 1s9w s GLU 77 Cb -0.30 -2.71 -0.04 0.00 -1.78 0.00 0.00 34.13 29.29 1s9w s GLU 77 CO 0.30 0.58 -0.10 0.71 -0.49 0.00 0.00 175.26 176.26 1s9w s TYR 78 N -0.57 1.25 0.18 1.61 1.51 -1.26 1.00 117.35 121.06 1s9w s TYR 78 Ca 0.09 -0.72 -0.12 0.00 -1.01 0.00 0.00 57.07 55.30 1s9w s TYR 78 Cb -0.12 -0.64 0.05 0.00 -0.11 0.00 0.00 41.96 41.14 1s9w s TYR 78 CO 0.02 0.08 0.62 0.00 -1.11 0.00 0.00 175.55 175.15 1s9w n ALA 79 N -0.01 -1.53 -3.53 3.71 0.00 -0.76 -0.49 120.51 117.90 1s9w n ALA 79 Ca -0.12 -0.73 -0.24 0.00 0.00 0.00 0.00 53.44 52.35 1s9w n ALA 79 Cb 0.60 0.49 -0.17 0.00 0.00 0.00 0.00 19.45 20.37 1s9w n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s9w s ARG 81 N 0.80 3.10 -0.10 0.00 3.52 0.12 -1.45 118.95 124.94 1s9w s ARG 81 Ca -0.12 -0.86 0.02 0.00 -0.13 0.00 0.00 55.73 54.64 1s9w s ARG 81 Cb -0.15 -3.43 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 1s9w s ARG 81 CO 0.02 -0.46 -0.19 0.08 -0.81 0.00 0.00 175.30 173.94 1s9w s VAL 82 N 1.52 2.57 -0.03 7.11 1.01 0.47 -0.83 120.40 132.21 1s9w s VAL 82 Ca 0.03 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1s9w s VAL 82 Cb -0.17 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1s9w s VAL 82 CO 0.03 0.55 -0.21 0.21 0.00 0.00 0.00 175.10 175.68 1s9w s ASN 83 N 0.21 2.56 0.03 3.32 3.84 -0.03 -0.51 114.94 124.37 1s9w s ASN 83 Ca -0.12 -0.41 -0.18 0.00 0.21 0.00 0.00 52.86 52.37 1s9w s ASN 83 Cb -0.16 -0.47 0.03 0.00 -0.55 0.00 0.00 41.25 40.10 1s9w s ASN 83 CO 0.06 0.24 0.40 -2.28 -2.79 0.00 0.00 177.10 172.73 1s9w s HIS 84 N -0.31 -0.26 0.37 0.43 5.65 -1.26 -1.70 115.29 118.20 1s9w s HIS 84 Ca 0.03 0.26 0.15 0.00 0.25 0.00 0.00 55.06 55.75 1s9w s HIS 84 Cb -0.10 0.20 1.01 0.00 -1.18 0.00 0.00 32.58 32.51 1s9w s HIS 84 CO 0.01 -0.54 1.76 -0.24 -0.65 0.00 0.00 174.74 175.07 1s9w h VAL 85 N 3.14 0.55 0.00 0.89 3.04 -1.96 0.66 116.25 122.57 1s9w h VAL 85 Ca -0.31 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1s9w h VAL 85 Cb 1.20 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 1s9w h VAL 85 CO 0.43 0.09 0.00 0.35 -1.01 0.00 0.00 177.57 177.43 1s9w n THR 86 N -4.71 0.16 -4.16 3.17 -2.24 -1.26 -4.71 114.28 100.53 1s9w n THR 86 Ca 0.25 0.04 -0.34 0.00 -2.27 0.00 0.00 64.05 61.73 1s9w n THR 86 Cb 0.81 -0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 68.28 1s9w n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1s9w s LEU 87 N -2.41 3.45 0.20 3.22 1.43 0.23 -4.96 118.68 119.84 1s9w s LEU 87 Ca 0.27 -0.08 0.15 0.00 -1.03 0.00 0.00 54.13 53.44 1s9w s LEU 87 Cb 0.17 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 1s9w s LEU 87 CO 0.35 0.13 1.25 0.77 0.23 0.00 0.00 176.35 179.08 1s9w h SER 88 N 6.98 0.00 -3.48 2.29 4.64 -1.84 -3.42 113.55 118.72 1s9w h SER 88 Ca -0.34 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.59 1s9w h SER 88 Cb 1.18 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.93 1s9w h SER 88 CO 0.64 0.58 -0.76 -1.58 -0.87 0.00 0.00 176.83 174.84 1s9w s GLN 89 N -2.92 0.66 -0.06 4.77 2.00 -1.26 -5.11 119.66 117.74 1s9w s GLN 89 Ca 0.02 -0.05 -0.37 0.00 -2.00 0.00 0.00 55.36 52.96 1s9w s GLN 89 Cb 0.08 -0.71 -0.15 0.00 0.80 0.00 0.00 33.01 33.03 1s9w s GLN 89 CO 0.77 -0.09 1.65 -2.30 -0.50 0.00 0.00 175.29 174.82 1s9w n PRO 90 N 4.03 1.59 -3.11 1.67 -0.02 -1.26 -4.91 135.00 133.00 1s9w n PRO 90 Ca -0.26 0.58 -0.39 0.00 -2.02 0.00 0.00 63.50 61.41 1s9w n PRO 90 Cb 0.51 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 1s9w n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1s9w s LYS 91 N 2.43 4.40 -0.08 -0.52 2.20 0.34 -4.86 119.74 123.65 1s9w s LYS 91 Ca 0.90 0.88 0.03 0.00 -0.36 0.00 0.00 55.97 57.41 1s9w s LYS 91 Cb -0.87 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.07 1s9w s LYS 91 CO 0.52 0.32 -0.16 0.42 -0.36 0.00 0.00 175.35 176.09 1s9w s ILE 92 N -0.09 2.83 -0.26 5.43 -1.09 -1.26 -0.40 121.20 126.37 1s9w s ILE 92 Ca 0.34 -0.78 -0.01 0.00 -2.23 0.00 0.00 60.65 57.97 1s9w s ILE 92 Cb -0.19 -2.12 0.08 0.00 -1.58 0.00 0.00 42.46 38.65 1s9w s ILE 92 CO 0.20 0.56 0.04 -0.69 -1.23 0.00 0.00 174.94 173.82 1s9w s VAL 93 N -0.22 0.94 0.57 2.92 1.01 -0.52 -4.94 120.40 120.15 1s9w s VAL 93 Ca -0.00 -1.11 -0.20 0.00 0.00 0.00 0.00 61.98 60.67 1s9w s VAL 93 Cb -0.13 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1s9w s VAL 93 CO 0.03 -0.40 1.22 -0.54 0.00 0.00 0.00 175.10 175.41 1s9w s LYS 94 N 1.63 3.11 -0.19 2.72 1.02 -1.26 -1.42 119.74 125.35 1s9w s LYS 94 Ca 0.03 1.86 -0.28 0.00 0.02 0.00 0.00 55.97 57.60 1s9w s LYS 94 Cb -0.18 -2.04 -0.00 0.00 -0.52 0.00 0.00 37.83 35.10 1s9w s LYS 94 CO -0.15 -1.10 0.99 -0.46 -0.92 0.00 0.00 175.35 173.70 1s9w s TRP 95 N -1.55 3.40 -0.20 3.18 -0.00 0.35 -4.89 118.94 119.23 1s9w s TRP 95 Ca 0.75 1.45 -0.06 0.00 -0.00 0.00 0.00 56.10 58.25 1s9w s TRP 95 Cb -0.31 -3.20 -0.03 0.00 -0.00 0.00 0.00 33.47 29.93 1s9w s TRP 95 CO 0.35 -0.37 0.02 0.34 -0.00 0.00 0.00 176.95 177.29 1s9w s ASP 96 N 1.17 4.99 0.52 5.86 -1.08 -1.26 -4.84 116.67 122.04 1s9w s ASP 96 Ca 0.44 -0.16 0.19 0.00 -0.52 0.00 0.00 52.55 52.50 1s9w s ASP 96 Cb -0.16 -1.86 1.36 0.00 -1.46 0.00 0.00 42.92 40.80 1s9w s ASP 96 CO 0.10 0.07 2.15 0.03 0.52 0.00 0.00 175.17 178.04 1s9w h ARG 97 N 7.45 0.00 -1.01 4.34 3.08 -1.95 -2.67 114.38 123.62 1s9w h ARG 97 Ca -0.36 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.09 1s9w h ARG 97 Cb 1.18 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.93 1s9w h ARG 97 CO 0.62 0.03 0.77 -3.47 -1.07 0.00 0.00 179.97 176.85 1s9w n ASP 98 N -4.32 5.91 0.00 7.04 2.03 -1.26 -4.88 116.55 121.06 1s9w n ASP 98 Ca -0.03 -3.68 0.00 0.00 0.52 0.00 0.00 54.79 51.60 1s9w n ASP 98 Cb 0.12 -0.92 0.00 0.00 -0.72 0.00 0.00 41.12 39.60 1s9w n ASP 98 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51