#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w0w s ILE 1 N 0.00 4.25 -0.02 2.02 -4.36 -1.26 -5.06 121.20 116.78 1w0w s ILE 1 Ca 0.00 1.91 0.01 0.00 -0.26 0.00 0.00 60.65 62.31 1w0w s ILE 1 Cb 0.00 -4.24 0.01 0.00 1.25 0.00 0.00 42.46 39.48 1w0w s ILE 1 CO 0.00 0.49 -0.02 -1.10 0.24 0.00 0.00 174.94 174.55 1w0w s GLN 2 N -1.02 0.28 -0.10 0.37 -0.21 -1.26 -4.57 119.66 113.15 1w0w s GLN 2 Ca 0.39 -0.02 0.02 0.00 0.02 0.00 0.00 55.36 55.77 1w0w s GLN 2 Cb -0.24 -0.36 0.01 0.00 1.00 0.00 0.00 33.01 33.42 1w0w s GLN 2 CO 0.29 -0.03 -0.16 1.03 -2.12 0.00 0.00 175.29 174.30 1w0w s ARG 3 N 0.47 2.29 0.23 2.91 0.52 0.05 -4.94 118.95 120.48 1w0w s ARG 3 Ca -0.05 -0.59 -0.23 0.00 -0.52 0.00 0.00 55.73 54.34 1w0w s ARG 3 Cb -0.07 -1.89 -0.09 0.00 0.52 0.00 0.00 34.95 33.42 1w0w s ARG 3 CO -0.01 -0.02 0.80 -0.08 0.02 0.00 0.00 175.30 176.02 1w0w s THR 4 N 0.85 4.40 0.41 0.02 -1.32 -1.26 -1.62 115.64 117.12 1w0w s THR 4 Ca -0.09 1.57 -0.25 0.00 -1.21 0.00 0.00 61.69 61.70 1w0w s THR 4 Cb -0.15 -3.99 -0.08 0.00 -1.51 0.00 0.00 72.50 66.76 1w0w s THR 4 CO 0.01 0.29 1.19 -2.16 -2.21 0.00 0.00 174.62 171.73 1w0w s PRO 5 N -1.74 4.01 0.34 7.08 0.04 -1.26 -4.47 135.00 138.99 1w0w s PRO 5 Ca 0.43 1.88 -0.18 0.00 0.04 0.00 0.00 61.00 63.17 1w0w s PRO 5 Cb -0.19 -2.66 -0.10 0.00 0.04 0.00 0.00 34.50 31.59 1w0w s PRO 5 CO 0.23 -0.37 0.81 0.15 0.04 0.00 0.00 177.00 177.86 1w0w s LYS 6 N -2.33 4.13 -0.06 4.56 1.02 0.47 -4.92 119.74 122.62 1w0w s LYS 6 Ca 0.58 0.86 -0.00 0.00 0.02 0.00 0.00 55.97 57.42 1w0w s LYS 6 Cb -0.32 -2.43 0.03 0.00 -0.52 0.00 0.00 37.83 34.59 1w0w s LYS 6 CO 0.40 0.14 -0.01 0.42 -0.92 0.00 0.00 175.35 175.37 1w0w s ILE 7 N -1.97 0.38 -0.06 2.17 1.01 -1.26 -1.92 121.20 119.56 1w0w s ILE 7 Ca 0.55 0.05 0.03 0.00 0.00 0.00 0.00 60.65 61.28 1w0w s ILE 7 Cb -0.11 -0.50 0.01 0.00 0.01 0.00 0.00 42.46 41.87 1w0w s ILE 7 CO 0.17 0.23 -0.14 -1.10 0.00 0.00 0.00 174.94 174.10 1w0w s GLN 8 N 1.53 1.78 -0.07 2.79 -0.21 -0.88 -5.00 119.66 119.60 1w0w s GLN 8 Ca -0.02 -0.50 0.04 0.00 0.02 0.00 0.00 55.36 54.90 1w0w s GLN 8 Cb -0.13 -1.48 -0.00 0.00 1.00 0.00 0.00 33.01 32.39 1w0w s GLN 8 CO -0.03 0.11 -0.21 0.54 -2.12 0.00 0.00 175.29 173.58 1w0w s VAL 9 N 0.40 1.76 0.08 1.09 0.11 -1.26 -0.76 120.40 121.83 1w0w s VAL 9 Ca -0.11 -0.88 -0.27 0.00 -2.93 0.00 0.00 61.98 57.79 1w0w s VAL 9 Cb -0.14 -1.52 0.08 0.00 -1.53 0.00 0.00 36.38 33.27 1w0w s VAL 9 CO 0.03 0.50 1.02 -0.72 -3.33 0.00 0.00 175.10 172.60 1w0w s TYR 10 N 0.16 -0.15 0.08 1.54 1.13 -0.61 -4.60 117.35 114.90 1w0w s TYR 10 Ca -0.10 -0.08 0.01 0.00 -1.41 0.00 0.00 57.07 55.49 1w0w s TYR 10 Cb -0.15 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 1w0w s TYR 10 CO 0.05 -0.66 0.22 -1.54 -2.51 0.00 0.00 175.55 171.11 1w0w s SER 11 N -2.85 6.30 0.21 -0.18 1.04 -1.26 0.06 113.70 117.02 1w0w s SER 11 Ca 0.11 0.23 -0.10 0.00 0.48 0.00 0.00 55.95 56.67 1w0w s SER 11 Cb -0.00 -1.92 0.22 0.00 0.10 0.00 0.00 66.02 64.42 1w0w s SER 11 CO -0.01 0.14 1.82 -0.09 0.98 0.00 0.00 173.24 176.08 1w0w h ARG 12 N 2.88 0.71 -6.02 4.02 2.43 -1.59 -3.44 114.38 113.36 1w0w h ARG 12 Ca -0.46 -0.04 -0.54 0.00 -0.81 0.00 0.00 59.98 58.13 1w0w h ARG 12 Cb 1.17 -0.16 -0.18 0.00 -0.42 0.00 0.00 29.97 30.38 1w0w h ARG 12 CO 0.74 0.47 -0.79 -1.01 -1.51 0.00 0.00 179.97 177.86 1w0w s HIS 13 N -6.10 1.87 0.18 2.20 3.76 -1.26 -5.04 115.29 110.89 1w0w s HIS 13 Ca -0.13 -0.45 -0.33 0.00 -0.15 0.00 0.00 55.06 54.00 1w0w s HIS 13 Cb 0.16 -0.94 -0.15 0.00 1.11 0.00 0.00 32.58 32.76 1w0w s HIS 13 CO 0.76 0.34 1.38 -2.30 -0.85 0.00 0.00 174.74 174.07 1w0w n PRO 14 N 0.35 1.73 -2.08 8.40 -0.02 -1.26 -4.84 135.00 137.27 1w0w n PRO 14 Ca -0.14 0.62 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 1w0w n PRO 14 Cb 0.57 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 1w0w n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1w0w s ALA 15 N 0.22 3.61 -0.08 3.55 0.00 -1.26 -5.02 121.76 122.78 1w0w s ALA 15 Ca 0.74 1.25 -0.01 0.00 0.00 0.00 0.00 51.96 53.95 1w0w s ALA 15 Cb -0.75 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 18.86 1w0w s ALA 15 CO 0.47 -0.67 -0.03 -2.00 0.00 0.00 0.00 175.76 173.53 1w0w s GLU 16 N -0.04 0.91 0.17 0.00 2.12 -1.26 -5.13 118.70 115.48 1w0w s GLU 16 Ca 0.60 -0.03 -0.33 0.00 0.36 0.00 0.00 54.97 55.57 1w0w s GLU 16 Cb -0.40 -1.13 -0.13 0.00 0.26 0.00 0.00 34.13 32.73 1w0w s GLU 16 CO 0.40 -0.26 1.67 0.09 -0.54 0.00 0.00 175.26 176.62 1w0w n ASN 17 N 4.91 3.56 0.00 -1.70 3.02 -1.26 -1.95 115.26 121.85 1w0w n ASN 17 Ca -0.11 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 1w0w n ASN 17 Cb 0.50 -1.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.17 1w0w n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1w0w n GLY 18 N 3.74 0.78 3.37 7.41 0.00 -0.58 -4.99 105.19 114.91 1w0w n GLY 18 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1w0w n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1w0w s LYS 19 N -0.39 3.43 0.57 1.61 2.20 -0.82 -5.01 119.74 121.33 1w0w s LYS 19 Ca 0.00 -0.64 -0.20 0.00 -0.36 0.00 0.00 55.97 54.77 1w0w s LYS 19 Cb 0.00 -2.81 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 1w0w s LYS 19 CO 0.00 0.07 1.27 0.45 -0.36 0.00 0.00 175.35 176.78 1w0w s SER 20 N 0.75 5.20 0.05 1.43 0.15 -1.26 -4.08 113.70 115.95 1w0w s SER 20 Ca -0.04 2.55 -0.03 0.00 0.70 0.00 0.00 55.95 59.13 1w0w s SER 20 Cb -0.15 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 61.56 1w0w s SER 20 CO 0.02 -1.60 0.16 -3.20 1.20 0.00 0.00 173.24 169.82 1w0w n ASN 21 N -1.34 -0.37 -4.01 5.45 2.85 0.21 -4.98 115.26 113.08 1w0w n ASN 21 Ca 0.12 -1.23 -0.20 0.00 -0.11 0.00 0.00 54.58 53.16 1w0w n ASN 21 Cb 0.48 0.61 -0.15 0.00 1.24 0.00 0.00 39.78 41.95 1w0w n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1w0w s PHE 22 N -6.65 0.96 -0.25 1.20 0.40 -1.26 -1.83 117.98 110.55 1w0w s PHE 22 Ca 0.03 -0.24 -0.10 0.00 -0.60 0.00 0.00 56.93 56.02 1w0w s PHE 22 Cb -0.01 -0.68 -0.05 0.00 0.51 0.00 0.00 43.02 42.79 1w0w s PHE 22 CO 0.02 -0.09 0.16 -1.17 0.70 0.00 0.00 175.22 174.83 1w0w s LEU 23 N 0.15 4.02 -0.08 -0.37 2.96 -0.19 -1.32 118.68 123.86 1w0w s LEU 23 Ca -0.03 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1w0w s LEU 23 Cb -0.08 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 1w0w s LEU 23 CO 0.00 0.02 -0.08 0.20 -1.32 0.00 0.00 176.35 175.17 1w0w s ASN 24 N 1.31 4.51 -0.16 3.68 0.01 0.11 -2.12 114.94 122.28 1w0w s ASN 24 Ca 0.07 -0.08 0.01 0.00 -0.71 0.00 0.00 52.86 52.15 1w0w s ASN 24 Cb -0.14 -1.19 0.02 0.00 0.41 0.00 0.00 41.25 40.35 1w0w s ASN 24 CO 0.07 0.33 -0.15 0.00 -1.51 0.00 0.00 177.10 175.83 1w0w s TYR 26 N 1.42 3.17 -0.13 0.00 5.04 0.06 -0.54 117.35 126.38 1w0w s TYR 26 Ca 0.04 -1.31 -0.04 0.00 -2.44 0.00 0.00 57.07 53.32 1w0w s TYR 26 Cb -0.13 -2.21 -0.03 0.00 0.35 0.00 0.00 41.96 39.94 1w0w s TYR 26 CO -0.11 -0.67 0.02 0.14 -1.34 0.00 0.00 175.55 173.59 1w0w s VAL 27 N 1.41 4.47 0.21 3.14 -7.23 -0.17 -2.07 120.40 120.16 1w0w s VAL 27 Ca 0.00 -0.17 -0.12 0.00 -1.81 0.00 0.00 61.98 59.88 1w0w s VAL 27 Cb -0.18 -2.93 -0.00 0.00 0.56 0.00 0.00 36.38 33.82 1w0w s VAL 27 CO 0.01 0.55 0.42 -0.94 -0.31 0.00 0.00 175.10 174.83 1w0w s SER 28 N -0.35 -0.08 -0.42 4.85 1.04 -0.81 -1.09 113.70 116.84 1w0w s SER 28 Ca 0.08 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1w0w s SER 28 Cb -0.12 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1w0w s SER 28 CO 0.02 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1w0w n GLY 29 N -0.32 0.67 3.78 7.32 0.00 -0.72 -0.39 105.19 115.53 1w0w n GLY 29 Ca -0.05 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 1w0w n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1w0w s PHE 30 N -2.02 3.03 -0.28 1.61 -0.71 -1.20 -4.43 117.98 113.98 1w0w s PHE 30 Ca 0.00 -0.12 -0.23 0.00 -1.04 0.00 0.00 56.93 55.53 1w0w s PHE 30 Cb 0.00 -1.37 0.09 0.00 -1.21 0.00 0.00 43.02 40.52 1w0w s PHE 30 CO 0.00 0.54 0.80 -1.58 -1.34 0.00 0.00 175.22 173.64 1w0w s HIS 31 N -2.11 -0.74 0.84 3.49 2.46 -0.64 -1.11 115.29 117.48 1w0w s HIS 31 Ca 0.32 1.74 -0.14 0.00 0.47 0.00 0.00 55.06 57.45 1w0w s HIS 31 Cb -0.08 0.34 0.21 0.00 -0.13 0.00 0.00 32.58 32.93 1w0w s HIS 31 CO 0.24 -0.36 0.64 -0.35 -2.47 0.00 0.00 174.74 172.44 1w0w n PRO 32 N 2.83 -2.94 0.13 2.88 -0.04 -1.26 -0.77 135.00 135.82 1w0w n PRO 32 Ca -0.15 -1.04 0.06 0.00 -0.04 0.00 0.00 63.50 62.33 1w0w n PRO 32 Cb 0.56 -1.11 0.03 0.00 -0.04 0.00 0.00 33.50 32.94 1w0w n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1w0w h SER 33 N -2.47 0.00 -2.47 3.54 4.64 -1.99 -3.45 113.55 111.36 1w0w h SER 33 Ca -0.26 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.53 1w0w h SER 33 Cb 0.82 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.92 1w0w h SER 33 CO 0.16 0.29 1.17 -1.81 -0.87 0.00 0.00 176.83 175.77 1w0w s ASP 34 N -6.00 6.51 0.02 4.97 1.01 -1.26 -4.96 116.67 116.96 1w0w s ASP 34 Ca 0.02 2.57 -0.17 0.00 0.71 0.00 0.00 52.55 55.68 1w0w s ASP 34 Cb 0.08 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.50 1w0w s ASP 34 CO 0.75 -1.01 0.36 -0.51 0.21 0.00 0.00 175.17 174.98 1w0w s ILE 35 N 4.03 0.06 -0.11 0.77 2.07 -1.26 -4.63 121.20 122.13 1w0w s ILE 35 Ca 0.83 -0.51 0.02 0.00 -1.41 0.00 0.00 60.65 59.59 1w0w s ILE 35 Cb -0.41 -0.86 0.01 0.00 0.13 0.00 0.00 42.46 41.34 1w0w s ILE 35 CO 0.37 -0.28 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.25 1w0w s GLU 36 N -2.11 2.43 -0.07 3.50 2.12 -0.68 -5.00 118.70 118.90 1w0w s GLU 36 Ca -0.08 -0.65 0.01 0.00 0.36 0.00 0.00 54.97 54.61 1w0w s GLU 36 Cb -0.02 -1.99 0.02 0.00 0.26 0.00 0.00 34.13 32.40 1w0w s GLU 36 CO -0.00 -0.00 -0.06 0.08 -0.54 0.00 0.00 175.26 174.73 1w0w s VAL 37 N 0.81 0.75 -0.00 3.70 1.01 -1.26 -0.96 120.40 124.44 1w0w s VAL 37 Ca -0.10 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.76 1w0w s VAL 37 Cb -0.16 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1w0w s VAL 37 CO 0.01 0.29 -0.23 -1.81 0.00 0.00 0.00 175.10 173.35 1w0w s ASP 38 N 1.16 3.31 -0.04 3.32 1.01 -0.40 -4.98 116.67 120.05 1w0w s ASP 38 Ca -0.07 -0.46 -0.12 0.00 0.71 0.00 0.00 52.55 52.61 1w0w s ASP 38 Cb -0.14 -0.43 -0.05 0.00 1.01 0.00 0.00 42.92 43.31 1w0w s ASP 38 CO -0.01 0.30 0.33 -0.76 0.21 0.00 0.00 175.17 175.23 1w0w s LEU 39 N -0.89 4.44 -0.02 1.23 1.43 -1.26 -0.50 118.68 123.11 1w0w s LEU 39 Ca 0.11 0.80 0.08 0.00 -1.03 0.00 0.00 54.13 54.09 1w0w s LEU 39 Cb -0.10 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 1w0w s LEU 39 CO 0.01 0.34 -0.25 -0.76 0.23 0.00 0.00 176.35 175.91 1w0w s LEU 40 N -0.98 2.05 -0.25 1.79 1.43 -0.18 -1.34 118.68 121.20 1w0w s LEU 40 Ca 0.21 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 1w0w s LEU 40 Cb -0.15 -1.29 0.06 0.00 0.03 0.00 0.00 46.19 44.84 1w0w s LEU 40 CO 0.10 0.31 -0.11 -0.75 0.23 0.00 0.00 176.35 176.13 1w0w s LYS 41 N -0.58 2.17 -1.45 1.70 2.20 -0.09 -1.69 119.74 122.01 1w0w s LYS 41 Ca 0.09 -1.26 -0.10 0.00 -0.36 0.00 0.00 55.97 54.35 1w0w s LYS 41 Cb -0.10 -2.82 0.05 0.00 -1.51 0.00 0.00 37.83 33.46 1w0w s LYS 41 CO -0.01 -0.55 0.99 0.09 -0.36 0.00 0.00 175.35 175.51 1w0w n ASN 42 N 4.48 -4.52 0.00 1.43 3.02 0.13 -2.12 115.26 117.68 1w0w n ASN 42 Ca -0.14 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1w0w n ASN 42 Cb 0.43 -4.22 0.00 0.00 -0.61 0.00 0.00 39.78 35.37 1w0w n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1w0w n GLY 43 N -1.73 1.33 3.54 7.41 0.00 -1.26 -5.02 105.19 109.46 1w0w n GLY 43 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1w0w n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w0w s GLU 44 N -0.21 2.31 0.18 1.61 0.41 -0.90 -5.04 118.70 117.06 1w0w s GLU 44 Ca 0.00 -0.87 -0.30 0.00 -0.41 0.00 0.00 54.97 53.39 1w0w s GLU 44 Cb 0.00 -2.35 -0.09 0.00 -1.78 0.00 0.00 34.13 29.91 1w0w s GLU 44 CO 0.00 0.56 1.34 0.50 -0.49 0.00 0.00 175.26 177.17 1w0w s ARG 45 N -1.55 4.36 0.06 1.61 3.52 -1.26 -0.91 118.95 124.78 1w0w s ARG 45 Ca 0.17 2.08 -0.27 0.00 -0.13 0.00 0.00 55.73 57.58 1w0w s ARG 45 Cb -0.11 -3.20 -0.05 0.00 -1.56 0.00 0.00 34.95 30.03 1w0w s ARG 45 CO 0.08 -0.31 0.83 0.42 -0.81 0.00 0.00 175.30 175.51 1w0w s ILE 46 N 0.34 4.67 0.43 4.11 1.01 -0.45 -4.88 121.20 126.44 1w0w s ILE 46 Ca 0.59 1.77 -0.11 0.00 0.00 0.00 0.00 60.65 62.90 1w0w s ILE 46 Cb -0.37 -4.18 -0.06 0.00 0.01 0.00 0.00 42.46 37.86 1w0w s ILE 46 CO 0.37 0.34 0.81 -1.61 0.00 0.00 0.00 174.94 174.85 1w0w s GLU 47 N 0.01 3.78 -1.57 2.79 2.02 -1.26 -4.36 118.70 120.11 1w0w s GLU 47 Ca 0.41 0.53 0.00 0.00 0.02 0.00 0.00 54.97 55.94 1w0w s GLU 47 Cb -0.21 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.68 1w0w s GLU 47 CO 0.25 -0.10 0.00 1.63 0.02 0.00 0.00 175.26 177.06 1w0w n LYS 48 N -1.46 -1.27 -1.93 1.61 5.02 -1.26 -4.95 118.16 113.92 1w0w n LYS 48 Ca 0.03 0.92 -0.42 0.00 -2.02 0.00 0.00 58.31 56.83 1w0w n LYS 48 Cb 0.54 -5.27 -0.02 0.00 -0.02 0.00 0.00 35.03 30.26 1w0w n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1w0w s VAL 49 N -2.75 2.51 0.31 -0.18 1.01 -1.26 -4.97 120.40 115.06 1w0w s VAL 49 Ca 0.00 0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.44 1w0w s VAL 49 Cb 0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1w0w s VAL 49 CO 0.00 0.05 0.44 -1.61 0.00 0.00 0.00 175.10 173.99 1w0w s GLU 50 N 0.13 3.23 0.10 2.72 2.02 -0.66 -4.92 118.70 121.31 1w0w s GLU 50 Ca 0.64 -0.90 -0.07 0.00 0.02 0.00 0.00 54.97 54.66 1w0w s GLU 50 Cb -0.44 -2.83 -0.01 0.00 0.10 0.00 0.00 34.13 30.95 1w0w s GLU 50 CO 0.40 0.17 0.17 -3.38 0.02 0.00 0.00 175.26 172.64 1w0w s HIS 51 N -2.13 0.30 0.78 1.61 -3.43 -1.26 -0.97 115.29 110.19 1w0w s HIS 51 Ca 0.42 -0.73 -0.12 0.00 -0.80 0.00 0.00 55.06 53.83 1w0w s HIS 51 Cb -0.09 -0.13 0.06 0.00 -1.43 0.00 0.00 32.58 30.98 1w0w s HIS 51 CO 0.31 -0.55 1.12 -1.54 -2.00 0.00 0.00 174.74 172.07 1w0w s SER 52 N -2.90 4.69 0.23 7.38 1.04 -0.66 -5.01 113.70 118.47 1w0w s SER 52 Ca 0.09 1.12 -0.29 0.00 0.48 0.00 0.00 55.95 57.34 1w0w s SER 52 Cb 0.05 -1.81 -0.09 0.00 0.10 0.00 0.00 66.02 64.27 1w0w s SER 52 CO -0.08 -1.82 0.91 -1.81 0.98 0.00 0.00 173.24 171.42 1w0w s ASP 53 N -4.19 7.58 0.05 7.02 1.01 -1.26 -4.76 116.67 122.12 1w0w s ASP 53 Ca 0.60 1.89 -0.35 0.00 0.71 0.00 0.00 52.55 55.40 1w0w s ASP 53 Cb -0.13 -2.59 -0.14 0.00 1.01 0.00 0.00 42.92 41.08 1w0w s ASP 53 CO 0.52 0.16 1.64 -0.11 0.21 0.00 0.00 175.17 177.59 1w0w n LEU 54 N 1.46 2.92 -4.23 1.23 7.94 -1.26 -4.94 117.00 120.12 1w0w n LEU 54 Ca -0.02 1.06 -0.16 0.00 -1.11 0.00 0.00 56.01 55.77 1w0w n LEU 54 Cb 0.47 -1.35 -0.08 0.00 0.53 0.00 0.00 43.42 42.99 1w0w n LEU 54 CO 0.49 -0.35 -0.13 -0.55 -1.11 0.00 0.00 177.39 175.75 1w0w s SER 55 N 1.94 1.06 0.12 1.96 0.15 -1.23 -5.05 113.70 112.66 1w0w s SER 55 Ca 0.85 -1.59 -0.08 0.00 0.70 0.00 0.00 55.95 55.83 1w0w s SER 55 Cb -0.75 0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 64.05 1w0w s SER 55 CO 0.45 -1.01 0.21 0.72 1.20 0.00 0.00 173.24 174.81 1w0w s PHE 56 N -3.67 0.34 0.57 3.44 -0.12 -1.26 -1.54 117.98 115.74 1w0w s PHE 56 Ca 0.39 -0.74 0.01 0.00 -0.05 0.00 0.00 56.93 56.54 1w0w s PHE 56 Cb 0.04 -0.11 0.11 0.00 -0.63 0.00 0.00 43.02 42.43 1w0w s PHE 56 CO 0.21 -0.61 0.78 0.43 -0.05 0.00 0.00 175.22 175.98 1w0w n SER 57 N -0.13 1.14 0.23 1.98 7.64 0.12 -4.92 113.62 119.68 1w0w n SER 57 Ca -0.11 -1.94 0.06 0.00 1.01 0.00 0.00 58.87 57.89 1w0w n SER 57 Cb 0.63 -0.50 0.52 0.00 -1.01 0.00 0.00 64.21 63.85 1w0w n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1w0w h LYS 58 N 0.00 0.00 -0.23 1.43 1.57 -2.03 -1.09 116.57 116.22 1w0w h LYS 58 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1w0w h LYS 58 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1w0w h LYS 58 CO 0.28 0.19 0.00 -0.40 -0.57 0.00 0.00 179.45 178.95 1w0w n ASP 59 N -4.25 1.27 0.00 0.86 5.75 -1.26 -4.91 116.55 114.00 1w0w n ASP 59 Ca -0.02 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1w0w n ASP 59 Cb 0.25 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1w0w n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1w0w n TRP 60 N 0.19 0.00 -2.33 2.11 7.02 -0.41 -5.02 117.44 119.00 1w0w n TRP 60 Ca 0.08 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.19 1w0w n TRP 60 Cb 0.20 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.07 1w0w n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1w0w s SER 61 N -3.68 6.37 0.42 -0.99 1.04 -1.26 -4.60 113.70 111.00 1w0w s SER 61 Ca 0.00 2.25 -0.09 0.00 0.48 0.00 0.00 55.95 58.59 1w0w s SER 61 Cb 0.00 -2.60 -0.06 0.00 0.10 0.00 0.00 66.02 63.46 1w0w s SER 61 CO 0.00 -0.78 0.77 -0.36 0.98 0.00 0.00 173.24 173.86 1w0w s PHE 62 N -1.55 3.49 -0.01 5.02 0.08 -0.27 -0.70 117.98 124.04 1w0w s PHE 62 Ca 0.61 1.00 -0.03 0.00 0.12 0.00 0.00 56.93 58.63 1w0w s PHE 62 Cb -0.27 -2.42 0.00 0.00 -0.57 0.00 0.00 43.02 39.76 1w0w s PHE 62 CO 0.34 -0.14 0.07 1.52 -0.10 0.00 0.00 175.22 176.90 1w0w s TYR 63 N -2.45 0.00 -0.01 0.36 -0.85 -0.59 -1.75 117.35 112.06 1w0w s TYR 63 Ca 0.50 0.01 -0.05 0.00 -0.52 0.00 0.00 57.07 57.01 1w0w s TYR 63 Cb -0.10 -0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.21 1w0w s TYR 63 CO 0.34 -0.11 0.11 -0.51 -1.52 0.00 0.00 175.55 173.86 1w0w s LEU 64 N -0.49 1.63 -0.19 -3.49 1.43 -0.25 -3.50 118.68 113.81 1w0w s LEU 64 Ca -0.06 -0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1w0w s LEU 64 Cb -0.04 0.52 -0.01 0.00 0.03 0.00 0.00 46.19 46.69 1w0w s LEU 64 CO 0.00 -0.24 -0.06 -0.22 0.23 0.00 0.00 176.35 176.05 1w0w s LEU 65 N -0.87 2.87 -0.12 1.79 2.96 -1.26 -1.00 118.68 123.04 1w0w s LEU 65 Ca -0.10 -0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 53.38 1w0w s LEU 65 Cb -0.06 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 1w0w s LEU 65 CO 0.01 0.04 0.14 -0.31 -1.32 0.00 0.00 176.35 174.90 1w0w s TYR 66 N 1.13 3.58 -0.01 5.38 1.51 0.30 -1.66 117.35 127.58 1w0w s TYR 66 Ca 0.01 0.51 -0.24 0.00 -1.01 0.00 0.00 57.07 56.35 1w0w s TYR 66 Cb -0.15 -1.94 0.05 0.00 -0.11 0.00 0.00 41.96 39.81 1w0w s TYR 66 CO -0.01 0.72 0.52 1.52 -1.11 0.00 0.00 175.55 177.18 1w0w s TYR 67 N -0.97 -0.44 -0.05 2.71 1.13 -0.14 -0.32 117.35 119.26 1w0w s TYR 67 Ca 0.15 0.67 -0.23 0.00 -1.41 0.00 0.00 57.07 56.24 1w0w s TYR 67 Cb -0.12 0.30 0.05 0.00 -1.10 0.00 0.00 41.96 41.09 1w0w s TYR 67 CO 0.04 -0.56 0.51 -0.08 -2.51 0.00 0.00 175.55 172.95 1w0w s THR 68 N -1.64 0.02 0.54 -3.49 -1.32 -0.90 -1.65 115.64 107.20 1w0w s THR 68 Ca -0.10 -0.20 -0.21 0.00 -1.21 0.00 0.00 61.69 59.97 1w0w s THR 68 Cb -0.02 -0.81 -0.05 0.00 -1.51 0.00 0.00 72.50 70.11 1w0w s THR 68 CO 0.05 -0.11 1.26 -1.61 -2.21 0.00 0.00 174.62 171.99 1w0w s GLU 69 N -1.10 3.24 -0.02 7.08 2.02 -1.26 -1.02 118.70 127.64 1w0w s GLU 69 Ca -0.11 1.98 -0.29 0.00 0.02 0.00 0.00 54.97 56.58 1w0w s GLU 69 Cb -0.03 -2.19 0.09 0.00 0.10 0.00 0.00 34.13 32.10 1w0w s GLU 69 CO 0.07 -1.03 0.77 -0.59 0.02 0.00 0.00 175.26 174.49 1w0w s PHE 70 N -1.46 -0.51 -0.44 1.61 -0.71 -0.76 -4.80 117.98 110.90 1w0w s PHE 70 Ca 0.71 0.67 0.04 0.00 -1.04 0.00 0.00 56.93 57.31 1w0w s PHE 70 Cb -0.34 0.48 0.12 0.00 -1.21 0.00 0.00 43.02 42.06 1w0w s PHE 70 CO 0.40 -0.60 0.17 0.99 -1.34 0.00 0.00 175.22 174.84 1w0w s THR 71 N -2.13 2.51 0.69 -4.49 2.01 -1.26 -0.62 115.64 112.35 1w0w s THR 71 Ca -0.03 -2.85 -0.17 0.00 0.31 0.00 0.00 61.69 58.95 1w0w s THR 71 Cb -0.01 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.72 1w0w s THR 71 CO -0.01 -0.71 1.12 -0.81 -0.69 0.00 0.00 174.62 173.52 1w0w n PRO 72 N 3.66 0.75 -4.01 4.92 -0.04 -1.26 -4.72 135.00 134.30 1w0w n PRO 72 Ca 0.04 0.31 -0.18 0.00 -0.04 0.00 0.00 63.50 63.64 1w0w n PRO 72 Cb 0.37 -2.36 -0.07 0.00 -0.04 0.00 0.00 33.50 31.40 1w0w n PRO 72 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1w0w n THR 73 N -2.27 0.00 -0.19 0.52 -2.24 -1.26 -1.53 114.28 107.31 1w0w n THR 73 Ca 0.14 -2.17 -0.08 0.00 -2.27 0.00 0.00 64.05 59.68 1w0w n THR 73 Cb 0.49 1.05 0.02 0.00 -2.10 0.00 0.00 70.33 69.78 1w0w n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1w0w h GLU 74 N 0.00 0.83 0.00 -0.78 4.81 -1.98 -3.36 114.58 114.11 1w0w h GLU 74 Ca -0.22 -0.16 -0.33 0.00 -0.13 0.00 0.00 59.36 58.52 1w0w h GLU 74 Cb 1.07 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.26 1w0w h GLU 74 CO 0.32 0.74 -2.24 1.63 -0.73 0.00 0.00 179.01 178.73 1w0w n LYS 75 N -4.49 1.04 -1.68 1.92 5.02 -1.26 -4.93 118.16 113.78 1w0w n LYS 75 Ca 0.03 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 1w0w n LYS 75 Cb 0.18 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 1w0w n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1w0w s ASP 76 N -5.24 6.42 -0.15 4.39 1.01 -1.26 -4.98 116.67 116.87 1w0w s ASP 76 Ca -0.09 2.73 -0.08 0.00 0.71 0.00 0.00 52.55 55.82 1w0w s ASP 76 Cb 0.05 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 1w0w s ASP 76 CO 0.74 -1.04 0.14 -1.61 0.21 0.00 0.00 175.17 173.61 1w0w s GLU 77 N 3.72 3.77 0.16 8.23 2.02 -1.26 -4.71 118.70 130.62 1w0w s GLU 77 Ca 0.86 -0.15 0.10 0.00 0.02 0.00 0.00 54.97 55.80 1w0w s GLU 77 Cb -0.45 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.46 1w0w s GLU 77 CO 0.40 0.58 -0.24 0.71 0.02 0.00 0.00 175.26 176.72 1w0w s TYR 78 N -0.45 2.16 0.22 1.61 2.02 -1.26 -0.69 117.35 120.97 1w0w s TYR 78 Ca 0.12 -0.39 -0.15 0.00 -0.37 0.00 0.00 57.07 56.28 1w0w s TYR 78 Cb -0.12 -1.12 0.01 0.00 -0.40 0.00 0.00 41.96 40.33 1w0w s TYR 78 CO 0.02 0.38 0.51 0.00 -1.57 0.00 0.00 175.55 174.89 1w0w s ALA 79 N -1.45 -0.64 -0.09 3.71 0.00 -0.68 -0.48 121.76 122.13 1w0w s ALA 79 Ca 0.16 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1w0w s ALA 79 Cb -0.09 0.92 0.01 0.00 0.00 0.00 0.00 23.12 23.97 1w0w s ALA 79 CO 0.07 -0.83 -0.15 0.00 0.00 0.00 0.00 175.76 174.84 1w0w s ARG 81 N 0.71 3.33 -0.05 0.00 3.52 0.34 -1.17 118.95 125.64 1w0w s ARG 81 Ca -0.13 -0.67 0.06 0.00 -0.13 0.00 0.00 55.73 54.86 1w0w s ARG 81 Cb -0.16 -2.82 -0.01 0.00 -1.56 0.00 0.00 34.95 30.40 1w0w s ARG 81 CO 0.03 -0.05 -0.22 0.08 -0.81 0.00 0.00 175.30 174.33 1w0w s VAL 82 N 1.04 1.78 -0.04 7.11 1.01 0.60 -1.27 120.40 130.62 1w0w s VAL 82 Ca -0.00 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1w0w s VAL 82 Cb -0.15 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 1w0w s VAL 82 CO -0.01 0.50 -0.15 0.21 0.00 0.00 0.00 175.10 175.64 1w0w s ASN 83 N -0.15 1.94 0.08 3.32 2.47 -0.14 -0.65 114.94 121.81 1w0w s ASN 83 Ca -0.02 -0.31 -0.15 0.00 0.42 0.00 0.00 52.86 52.80 1w0w s ASN 83 Cb -0.12 -0.53 0.03 0.00 -1.45 0.00 0.00 41.25 39.18 1w0w s ASN 83 CO 0.02 0.13 0.35 -2.28 -3.72 0.00 0.00 177.10 171.61 1w0w s HIS 84 N 0.07 -0.15 0.54 0.43 5.65 -1.26 -1.69 115.29 118.88 1w0w s HIS 84 Ca -0.04 -0.06 0.30 0.00 0.25 0.00 0.00 55.06 55.51 1w0w s HIS 84 Cb -0.11 0.17 1.74 0.00 -1.18 0.00 0.00 32.58 33.21 1w0w s HIS 84 CO 0.02 -0.60 2.21 -0.24 -0.65 0.00 0.00 174.74 175.47 1w0w h VAL 85 N 2.78 0.50 0.00 0.89 3.04 -1.95 -1.12 116.25 120.39 1w0w h VAL 85 Ca -0.33 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1w0w h VAL 85 Cb 1.22 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 1w0w h VAL 85 CO 0.47 0.04 0.00 0.35 -1.01 0.00 0.00 177.57 177.42 1w0w n THR 86 N -3.73 0.13 -4.21 3.17 -2.24 -1.26 -4.81 114.28 101.33 1w0w n THR 86 Ca -0.03 0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.45 1w0w n THR 86 Cb 0.13 -0.57 -0.11 0.00 -2.10 0.00 0.00 70.33 67.68 1w0w n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1w0w s LEU 87 N -2.89 3.51 0.18 3.22 1.43 -0.43 -4.98 118.68 118.71 1w0w s LEU 87 Ca 0.16 -0.04 0.26 0.00 -1.03 0.00 0.00 54.13 53.49 1w0w s LEU 87 Cb 0.18 -1.87 0.89 0.00 0.03 0.00 0.00 46.19 45.42 1w0w s LEU 87 CO 0.48 0.17 1.79 -1.54 0.23 0.00 0.00 176.35 177.47 1w0w n SER 88 N 3.55 0.66 -3.84 2.29 3.41 -1.26 -4.72 113.62 113.71 1w0w n SER 88 Ca -0.17 0.57 -0.11 0.00 -0.26 0.00 0.00 58.87 58.90 1w0w n SER 88 Cb 0.52 -0.75 -0.09 0.00 -0.26 0.00 0.00 64.21 63.64 1w0w n SER 88 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1w0w s GLN 89 N -3.11 0.65 0.31 4.33 -0.21 -1.26 -5.14 119.66 115.24 1w0w s GLN 89 Ca 0.10 -0.53 -0.29 0.00 0.02 0.00 0.00 55.36 54.67 1w0w s GLN 89 Cb 0.13 0.27 -0.12 0.00 1.00 0.00 0.00 33.01 34.29 1w0w s GLN 89 CO 0.56 -0.18 1.36 -2.30 -2.12 0.00 0.00 175.29 172.61 1w0w n PRO 90 N 0.91 2.19 -3.76 2.91 -0.02 -1.26 -4.91 135.00 131.06 1w0w n PRO 90 Ca -0.20 0.77 -0.36 0.00 -2.02 0.00 0.00 63.50 61.69 1w0w n PRO 90 Cb 0.58 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.56 1w0w n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1w0w s LYS 91 N -1.34 4.00 -0.15 -0.52 2.20 0.17 -4.92 119.74 119.19 1w0w s LYS 91 Ca 0.60 -0.31 -0.02 0.00 -0.36 0.00 0.00 55.97 55.88 1w0w s LYS 91 Cb -0.58 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.30 1w0w s LYS 91 CO 0.57 0.09 -0.09 0.42 -0.36 0.00 0.00 175.35 175.99 1w0w s ILE 92 N 0.92 3.29 -0.17 5.43 1.01 -1.26 -0.29 121.20 130.13 1w0w s ILE 92 Ca 0.06 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.16 1w0w s ILE 92 Cb -0.13 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.94 1w0w s ILE 92 CO 0.03 0.50 -0.18 -0.69 0.00 0.00 0.00 174.94 174.60 1w0w s VAL 93 N 0.58 1.91 0.30 2.92 1.01 -0.32 -4.97 120.40 121.82 1w0w s VAL 93 Ca -0.06 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 1w0w s VAL 93 Cb -0.15 -1.74 -0.09 0.00 0.00 0.00 0.00 36.38 34.39 1w0w s VAL 93 CO 0.03 0.52 1.00 -0.54 0.00 0.00 0.00 175.10 176.10 1w0w s LYS 94 N 1.32 4.62 -0.05 2.72 1.02 -1.26 -0.81 119.74 127.30 1w0w s LYS 94 Ca 0.04 1.52 -0.30 0.00 0.02 0.00 0.00 55.97 57.25 1w0w s LYS 94 Cb -0.13 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 1w0w s LYS 94 CO -0.12 0.27 1.36 -0.46 -0.92 0.00 0.00 175.35 175.49 1w0w s TRP 95 N -1.38 2.82 -0.18 3.18 -0.00 0.37 -4.90 118.94 118.85 1w0w s TRP 95 Ca 0.47 0.86 0.01 0.00 -0.00 0.00 0.00 56.10 57.44 1w0w s TRP 95 Cb -0.24 -3.61 0.02 0.00 -0.00 0.00 0.00 33.47 29.63 1w0w s TRP 95 CO 0.31 -2.24 -0.20 0.34 -0.00 0.00 0.00 176.95 175.16 1w0w s ASP 96 N 1.98 3.13 0.33 5.86 -1.08 -1.26 -4.73 116.67 120.89 1w0w s ASP 96 Ca 0.62 -0.65 0.25 0.00 -0.52 0.00 0.00 52.55 52.25 1w0w s ASP 96 Cb -0.29 -1.48 1.14 0.00 -1.46 0.00 0.00 42.92 40.84 1w0w s ASP 96 CO 0.24 0.00 1.77 0.08 0.52 0.00 0.00 175.17 177.78 1w0w h ARG 97 N 7.91 0.00 -0.45 4.34 0.11 -1.95 -2.29 114.38 122.05 1w0w h ARG 97 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1w0w h ARG 97 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1w0w h ARG 97 CO 0.63 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.45 1w0w n ASP 98 N -2.40 2.41 0.00 0.08 8.00 -1.26 -4.81 116.55 118.57 1w0w n ASP 98 Ca 0.01 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.49 1w0w n ASP 98 Cb 0.19 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1w0w n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04