#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1plb s GLU 2 N 0.00 3.00 -0.02 0.00 2.02 -1.26 -2.22 118.70 120.22 1plb s GLU 2 Ca 0.00 -0.86 0.05 0.00 0.02 0.00 0.00 54.97 54.17 1plb s GLU 2 Cb 0.00 -2.29 -0.03 0.00 0.10 0.00 0.00 34.13 31.92 1plb s GLU 2 CO 0.00 0.15 -0.14 0.08 0.02 0.00 0.00 175.26 175.37 1plb s VAL 3 N 0.40 3.06 -0.23 2.63 1.01 -0.85 -4.60 120.40 121.83 1plb s VAL 3 Ca -0.18 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 1plb s VAL 3 Cb -0.18 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1plb s VAL 3 CO 0.08 0.49 -0.06 -0.54 0.00 0.00 0.00 175.10 175.07 1plb s LYS 4 N -1.03 3.16 -0.36 2.72 1.02 0.78 0.35 119.74 126.38 1plb s LYS 4 Ca 0.13 -0.76 -0.28 0.00 0.02 0.00 0.00 55.97 55.08 1plb s LYS 4 Cb -0.11 -2.98 0.02 0.00 -0.52 0.00 0.00 37.83 34.24 1plb s LYS 4 CO 0.03 -0.27 1.05 -0.51 -0.92 0.00 0.00 175.35 174.73 1plb s LEU 5 N 1.42 3.89 0.00 3.17 1.43 0.65 -2.62 118.68 126.62 1plb s LEU 5 Ca 0.04 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 1plb s LEU 5 Cb -0.15 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1plb s LEU 5 CO -0.04 -0.94 0.00 0.61 0.23 0.00 0.00 176.35 176.21 1plb n GLY 6 N 4.15 2.49 3.45 -3.19 0.00 -1.08 -2.19 105.19 108.82 1plb n GLY 6 Ca 0.11 -1.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.15 1plb n GLY 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1plb n SER 7 N 0.00 0.62 -1.74 1.61 3.41 0.30 -4.68 113.62 113.14 1plb n SER 7 Ca 0.00 -1.71 -0.15 0.00 -0.26 0.00 0.00 58.87 56.75 1plb n SER 7 Cb 0.00 -0.75 0.19 0.00 -0.26 0.00 0.00 64.21 63.39 1plb n SER 7 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1plb n ASP 8 N -3.36 3.14 0.00 4.04 9.92 -1.26 -4.52 116.55 124.51 1plb n ASP 8 Ca 0.15 -3.70 0.00 0.00 -0.53 0.00 0.00 54.79 50.71 1plb n ASP 8 Cb 0.52 -0.75 0.00 0.00 -0.64 0.00 0.00 41.12 40.25 1plb n ASP 8 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1plb n ASP 9 N -1.14 0.00 0.00 -2.24 5.75 -1.26 -5.08 116.55 112.59 1plb n ASP 9 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 1plb n ASP 9 Cb 1.38 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.47 1plb n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1plb n GLY 10 N 0.00 -0.08 3.65 6.12 0.00 -1.26 -5.18 105.19 108.44 1plb n GLY 10 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1plb n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1plb s GLY 11 N 0.00 0.42 -0.61 -0.02 0.00 -1.26 -4.96 107.32 100.89 1plb s GLY 11 Ca 0.00 3.60 -0.16 0.00 0.00 0.00 0.00 44.72 48.16 1plb s GLY 11 CO 0.00 2.66 0.59 1.08 0.00 0.00 0.00 173.10 177.42 1plb s LEU 12 N 1.06 6.17 0.05 0.66 1.43 -1.26 0.11 118.68 126.90 1plb s LEU 12 Ca -0.07 -1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 50.99 1plb s LEU 12 Cb -0.03 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.98 1plb s LEU 12 CO -0.11 -0.84 0.27 0.68 0.23 0.00 0.00 176.35 176.57 1plb s VAL 13 N 1.49 0.09 -0.47 -1.59 -7.23 -1.26 -4.42 120.40 107.02 1plb s VAL 13 Ca 0.07 -0.78 -0.29 0.00 -1.81 0.00 0.00 61.98 59.17 1plb s VAL 13 Cb -0.25 -0.99 0.02 0.00 0.56 0.00 0.00 36.38 35.72 1plb s VAL 13 CO 0.01 -0.43 1.24 -0.36 -0.31 0.00 0.00 175.10 175.25 1plb s PHE 14 N -2.77 2.64 -0.30 2.82 0.40 -1.26 -2.64 117.98 116.87 1plb s PHE 14 Ca -0.03 0.67 -0.02 0.00 -0.60 0.00 0.00 56.93 56.95 1plb s PHE 14 Cb -0.00 -4.41 0.05 0.00 0.51 0.00 0.00 43.02 39.17 1plb s PHE 14 CO -0.05 -1.55 0.00 -1.12 0.70 0.00 0.00 175.22 173.21 1plb s SER 15 N 3.05 4.91 1.25 1.36 0.01 -1.08 -0.89 113.70 122.30 1plb s SER 15 Ca 0.52 -1.27 -0.19 0.00 1.31 0.00 0.00 55.95 56.32 1plb s SER 15 Cb -0.09 -1.72 0.30 0.00 0.21 0.00 0.00 66.02 64.72 1plb s SER 15 CO 0.32 -0.26 1.04 -2.16 0.41 0.00 0.00 173.24 172.59 1plb s PRO 16 N 1.26 -1.56 -0.20 12.44 0.05 -1.26 -0.16 135.00 145.57 1plb s PRO 16 Ca -0.05 0.14 -0.15 0.00 0.05 0.00 0.00 61.00 60.99 1plb s PRO 16 Cb -0.20 -1.54 -0.09 0.00 0.05 0.00 0.00 34.50 32.72 1plb s PRO 16 CO -0.01 -3.98 -0.18 0.43 0.05 0.00 0.00 177.00 173.31 1plb n SER 17 N -4.99 1.89 -4.09 6.66 7.64 -0.07 -4.88 113.62 115.78 1plb n SER 17 Ca 0.11 0.44 -0.18 0.00 1.01 0.00 0.00 58.87 60.25 1plb n SER 17 Cb 0.59 -0.85 -0.13 0.00 -1.01 0.00 0.00 64.21 62.81 1plb n SER 17 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1plb s SER 18 N -6.44 1.31 -0.17 6.43 1.04 -1.26 -2.56 113.70 112.06 1plb s SER 18 Ca -0.27 -0.39 -0.29 0.00 0.48 0.00 0.00 55.95 55.47 1plb s SER 18 Cb 0.06 -0.08 0.12 0.00 0.10 0.00 0.00 66.02 66.23 1plb s SER 18 CO 0.42 0.00 0.96 0.72 0.98 0.00 0.00 173.24 176.32 1plb s PHE 19 N -0.78 -0.43 0.31 5.02 -0.71 -1.04 -5.01 117.98 115.35 1plb s PHE 19 Ca -0.00 0.79 -0.03 0.00 -1.04 0.00 0.00 56.93 56.65 1plb s PHE 19 Cb -0.07 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 1plb s PHE 19 CO 0.01 -0.36 0.55 0.95 -1.34 0.00 0.00 175.22 175.03 1plb s THR 20 N -0.90 5.06 0.13 -4.49 -4.23 -1.26 -2.06 115.64 107.89 1plb s THR 20 Ca -0.02 -0.15 -0.09 0.00 -1.18 0.00 0.00 61.69 60.25 1plb s THR 20 Cb -0.01 -3.79 -0.00 0.00 1.34 0.00 0.00 72.50 70.04 1plb s THR 20 CO 0.02 -0.42 0.25 0.68 -0.54 0.00 0.00 174.62 174.60 1plb s VAL 21 N -2.19 0.10 0.33 2.29 -7.23 -0.53 -4.87 120.40 108.30 1plb s VAL 21 Ca 0.42 -1.25 -0.25 0.00 -1.81 0.00 0.00 61.98 59.09 1plb s VAL 21 Cb -0.10 -1.57 -0.10 0.00 0.56 0.00 0.00 36.38 35.17 1plb s VAL 21 CO 0.33 -0.46 0.93 0.00 -0.31 0.00 0.00 175.10 175.59 1plb s ALA 22 N -3.91 3.21 -0.79 1.32 0.00 -1.26 -1.15 121.76 119.18 1plb s ALA 22 Ca 0.11 0.49 -0.26 0.00 0.00 0.00 0.00 51.96 52.30 1plb s ALA 22 Cb 0.04 -3.16 -0.22 0.00 0.00 0.00 0.00 23.12 19.78 1plb s ALA 22 CO -0.06 0.18 1.91 0.00 0.00 0.00 0.00 175.76 177.79 1plb n ALA 23 N 0.47 1.33 0.00 0.00 0.00 0.25 -1.74 120.51 120.81 1plb n ALA 23 Ca 0.02 -2.75 0.00 0.00 0.00 0.00 0.00 53.44 50.72 1plb n ALA 23 Cb 0.50 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.42 1plb n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1plb n GLY 24 N 5.47 -0.05 3.88 0.00 0.00 -1.25 -4.92 105.19 108.32 1plb n GLY 24 Ca 0.45 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.22 1plb n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1plb s GLU 25 N 0.00 3.20 0.00 1.61 2.56 -0.71 -5.09 118.70 120.26 1plb s GLU 25 Ca 0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 54.97 54.13 1plb s GLU 25 Cb 0.00 -2.81 -0.05 0.00 2.00 0.00 0.00 34.13 33.26 1plb s GLU 25 CO 0.00 0.49 0.33 0.15 -0.56 0.00 0.00 175.26 175.67 1plb s LYS 26 N -3.27 3.72 -0.27 4.30 1.02 -1.26 -4.42 119.74 119.56 1plb s LYS 26 Ca 0.33 0.16 0.03 0.00 0.02 0.00 0.00 55.97 56.50 1plb s LYS 26 Cb -0.10 -3.13 0.07 0.00 -0.52 0.00 0.00 37.83 34.15 1plb s LYS 26 CO 0.26 0.66 -0.05 0.42 -0.92 0.00 0.00 175.35 175.73 1plb s ILE 27 N -1.20 1.98 -0.27 2.17 1.01 0.17 -2.41 121.20 122.66 1plb s ILE 27 Ca 0.25 -1.68 -0.08 0.00 0.00 0.00 0.00 60.65 59.14 1plb s ILE 27 Cb -0.14 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 1plb s ILE 27 CO 0.13 -0.20 0.09 0.42 0.00 0.00 0.00 174.94 175.39 1plb s THR 28 N 1.15 4.37 0.12 2.92 -4.23 -0.94 -1.41 115.64 117.62 1plb s THR 28 Ca -0.03 -0.28 -0.24 0.00 -1.18 0.00 0.00 61.69 59.96 1plb s THR 28 Cb -0.19 -3.11 -0.07 0.00 1.34 0.00 0.00 72.50 70.46 1plb s THR 28 CO -0.07 0.24 0.73 -0.36 -0.54 0.00 0.00 174.62 174.63 1plb s PHE 29 N 1.61 3.84 -0.02 3.99 0.08 -0.84 -2.00 117.98 124.64 1plb s PHE 29 Ca 0.06 1.52 0.03 0.00 0.12 0.00 0.00 56.93 58.66 1plb s PHE 29 Cb -0.16 -2.73 -0.00 0.00 -0.57 0.00 0.00 43.02 39.56 1plb s PHE 29 CO 0.04 0.46 -0.11 0.21 -0.10 0.00 0.00 175.22 175.73 1plb s LYS 30 N -0.84 1.09 -0.34 0.44 2.20 0.16 -1.84 119.74 120.60 1plb s LYS 30 Ca 0.35 -0.39 -0.28 0.00 -0.36 0.00 0.00 55.97 55.29 1plb s LYS 30 Cb -0.22 -1.01 0.02 0.00 -1.51 0.00 0.00 37.83 35.11 1plb s LYS 30 CO 0.24 0.18 1.04 -0.80 -0.36 0.00 0.00 175.35 175.65 1plb s ASN 31 N 0.03 6.85 -0.20 1.43 -0.87 -0.95 -0.25 114.94 120.97 1plb s ASN 31 Ca -0.01 0.91 0.16 0.00 -1.57 0.00 0.00 52.86 52.36 1plb s ASN 31 Cb -0.08 -2.52 -0.24 0.00 -0.02 0.00 0.00 41.25 38.38 1plb s ASN 31 CO 0.00 -0.90 0.06 -3.20 -2.57 0.00 0.00 177.10 170.50 1plb n ASN 32 N 6.90 0.21 0.00 -1.22 5.15 -0.93 -3.61 115.26 121.77 1plb n ASN 32 Ca 0.11 -0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 1plb n ASN 32 Cb 0.47 0.83 0.00 0.00 -0.53 0.00 0.00 39.78 40.56 1plb n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1plb n ALA 33 N -2.79 0.00 0.00 5.20 0.00 -1.08 -4.99 120.51 116.85 1plb n ALA 33 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1plb n ALA 33 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.59 1plb n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1plb n GLY 34 N 0.00 -0.98 3.43 0.00 0.00 -1.26 -4.33 105.19 102.04 1plb n GLY 34 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1plb n GLY 34 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1plb n PHE 35 N 0.00 -1.10 -2.67 1.61 -1.74 -1.26 -4.61 117.46 107.68 1plb n PHE 35 Ca 0.00 0.21 -0.36 0.00 -0.56 0.00 0.00 57.45 56.74 1plb n PHE 35 Cb 0.00 -1.76 -0.05 0.00 1.52 0.00 0.00 39.48 39.19 1plb n PHE 35 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1plb s PRO 36 N -3.79 4.27 0.45 3.97 0.04 -1.26 -5.06 135.00 133.61 1plb s PRO 36 Ca 0.59 1.36 0.06 0.00 0.04 0.00 0.00 61.00 63.05 1plb s PRO 36 Cb -0.20 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.82 1plb s PRO 36 CO 0.66 -0.02 0.23 -1.01 0.04 0.00 0.00 177.00 176.89 1plb s HIS 37 N -1.79 2.32 -0.07 0.56 3.76 -0.96 -4.93 115.29 114.17 1plb s HIS 37 Ca 0.57 -0.68 -0.17 0.00 -0.15 0.00 0.00 55.06 54.64 1plb s HIS 37 Cb -0.18 -1.93 0.04 0.00 1.11 0.00 0.00 32.58 31.62 1plb s HIS 37 CO 0.22 0.02 0.40 1.21 -0.85 0.00 0.00 174.74 175.75 1plb s ASN 38 N -4.00 -0.35 -0.06 1.40 2.47 -1.26 -3.28 114.94 109.86 1plb s ASN 38 Ca 0.36 0.47 -0.00 0.00 0.42 0.00 0.00 52.86 54.11 1plb s ASN 38 Cb 0.02 0.56 0.03 0.00 -1.45 0.00 0.00 41.25 40.40 1plb s ASN 38 CO 0.21 -0.35 -0.02 -0.63 -3.72 0.00 0.00 177.10 172.58 1plb s ILE 39 N -0.71 0.43 0.07 -5.21 1.09 -1.26 -3.91 121.20 111.70 1plb s ILE 39 Ca -0.08 0.02 -0.02 0.00 -1.10 0.00 0.00 60.65 59.48 1plb s ILE 39 Cb -0.04 -0.53 -0.04 0.00 -1.06 0.00 0.00 42.46 40.79 1plb s ILE 39 CO 0.04 0.24 0.01 -0.69 -0.10 0.00 0.00 174.94 174.43 1plb s VAL 40 N 1.51 0.19 -0.16 2.92 1.01 -0.99 0.02 120.40 124.91 1plb s VAL 40 Ca -0.02 -1.78 -0.02 0.00 0.00 0.00 0.00 61.98 60.16 1plb s VAL 40 Cb -0.13 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1plb s VAL 40 CO -0.03 -0.85 -0.09 -0.36 0.00 0.00 0.00 175.10 173.77 1plb s PHE 41 N -3.94 2.90 -0.31 5.22 0.40 -1.26 -2.03 117.98 118.95 1plb s PHE 41 Ca 0.11 -0.62 -0.29 0.00 -0.60 0.00 0.00 56.93 55.53 1plb s PHE 41 Cb 0.08 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.66 1plb s PHE 41 CO -0.07 -0.24 1.71 0.34 0.70 0.00 0.00 175.22 177.66 1plb s ASP 42 N 0.59 6.08 0.00 1.36 2.15 -0.56 -4.82 116.67 121.46 1plb s ASP 42 Ca -0.06 1.34 0.00 0.00 0.43 0.00 0.00 52.55 54.26 1plb s ASP 42 Cb -0.15 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 1plb s ASP 42 CO 0.03 -1.55 0.39 -1.84 -0.17 0.00 0.00 175.17 172.02 1plb n GLU 43 N 8.19 0.51 -0.00 4.34 0.28 -1.26 -2.52 120.64 130.18 1plb n GLU 43 Ca 0.21 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.25 1plb n GLU 43 Cb 0.46 -1.25 -0.06 0.00 1.43 0.00 0.00 31.44 32.02 1plb n GLU 43 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1plb n ASP 44 N 0.51 1.70 -0.24 -1.84 8.00 -1.26 -4.62 116.55 118.79 1plb n ASP 44 Ca 0.00 -0.35 0.02 0.00 0.71 0.00 0.00 54.79 55.17 1plb n ASP 44 Cb 0.19 1.21 0.03 0.00 -0.02 0.00 0.00 41.12 42.53 1plb n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1plb n GLU 45 N -1.51 0.59 -3.62 -1.24 1.02 -1.05 -5.06 120.64 109.76 1plb n GLU 45 Ca -0.00 -1.27 -0.35 0.00 -0.02 0.00 0.00 57.16 55.52 1plb n GLU 45 Cb 0.19 -0.76 -0.05 0.00 -0.02 0.00 0.00 31.44 30.79 1plb n GLU 45 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1plb s VAL 46 N -0.71 5.15 0.61 2.62 1.01 -1.23 -4.45 120.40 123.40 1plb s VAL 46 Ca 0.07 0.42 -0.18 0.00 0.00 0.00 0.00 61.98 62.29 1plb s VAL 46 Cb 0.06 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 1plb s VAL 46 CO 0.01 0.35 0.57 -2.65 0.00 0.00 0.00 175.10 173.38 1plb n PRO 47 N 1.11 0.50 -1.34 2.72 -0.01 -1.26 -4.80 135.00 131.92 1plb n PRO 47 Ca -0.10 0.20 -0.31 0.00 -0.01 0.00 0.00 63.50 63.28 1plb n PRO 47 Cb 0.52 -1.78 -0.06 0.00 -0.01 0.00 0.00 33.50 32.17 1plb n PRO 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1plb n ALA 48 N -1.85 7.07 0.00 3.55 0.00 -1.26 -3.39 120.51 124.64 1plb n ALA 48 Ca 0.12 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.42 1plb n ALA 48 Cb 0.48 -2.92 0.00 0.00 0.00 0.00 0.00 19.45 17.01 1plb n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1plb n GLY 49 N 2.82 0.09 3.41 0.00 0.00 -1.26 -5.05 105.19 105.20 1plb n GLY 49 Ca 0.65 -0.05 -0.45 0.00 0.00 0.00 0.00 46.02 46.17 1plb n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1plb s VAL 50 N -0.81 4.93 0.33 1.61 1.01 -1.22 -5.01 120.40 121.24 1plb s VAL 50 Ca 0.00 -1.59 -0.25 0.00 0.00 0.00 0.00 61.98 60.14 1plb s VAL 50 Cb 0.00 -4.64 -0.14 0.00 0.00 0.00 0.00 36.38 31.59 1plb s VAL 50 CO 0.00 -1.32 0.60 0.59 0.00 0.00 0.00 175.10 174.97 1plb n ASN 51 N 5.98 -0.69 -0.21 3.32 4.13 -1.26 -4.75 115.26 121.77 1plb n ASN 51 Ca 0.13 1.02 0.11 0.00 1.68 0.00 0.00 54.58 57.52 1plb n ASN 51 Cb 0.47 -1.08 0.09 0.00 -1.54 0.00 0.00 39.78 37.72 1plb n ASN 51 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1plb n ALA 52 N -0.39 3.80 0.21 5.41 0.00 -1.26 -4.06 120.51 124.21 1plb n ALA 52 Ca 0.13 -0.53 0.11 0.00 0.00 0.00 0.00 53.44 53.15 1plb n ALA 52 Cb 0.34 -0.92 0.18 0.00 0.00 0.00 0.00 19.45 19.05 1plb n ALA 52 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1plb h GLU 53 N 1.04 0.00 0.05 0.00 5.08 -1.93 -2.64 114.58 116.18 1plb h GLU 53 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1plb h GLU 53 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1plb h GLU 53 CO 0.00 0.08 -1.59 0.87 -1.00 0.00 0.00 179.01 177.37 1plb h LYS 54 N 0.00 0.10 -0.00 2.33 1.57 -1.96 -3.34 116.57 115.27 1plb h LYS 54 Ca -0.00 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1plb h LYS 54 Cb 1.03 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1plb h LYS 54 CO 0.01 0.84 -0.48 0.44 -0.57 0.00 0.00 179.45 179.69 1plb n ILE 55 N -3.26 0.00 -1.93 1.86 -5.35 -1.24 -4.92 119.36 104.51 1plb n ILE 55 Ca -0.16 -0.05 -0.30 0.00 -0.27 0.00 0.00 62.75 61.97 1plb n ILE 55 Cb 1.03 0.43 0.16 0.00 -1.74 0.00 0.00 39.64 39.53 1plb n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1plb s SER 56 N -2.82 3.46 -0.40 7.28 0.01 -1.00 -4.89 113.70 115.34 1plb s SER 56 Ca 0.15 0.38 0.07 0.00 1.31 0.00 0.00 55.95 57.86 1plb s SER 56 Cb 0.18 -0.53 0.22 0.00 0.21 0.00 0.00 66.02 66.10 1plb s SER 56 CO 0.66 -2.53 0.46 0.00 0.41 0.00 0.00 173.24 172.24 1plb n GLN 57 N -3.65 0.58 0.00 12.44 6.02 0.10 -4.94 117.38 127.93 1plb n GLN 57 Ca 0.14 -3.24 0.02 0.00 -0.01 0.00 0.00 57.00 53.91 1plb n GLN 57 Cb 0.60 -1.38 0.09 0.00 1.02 0.00 0.00 30.24 30.57 1plb n GLN 57 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1plb n PRO 58 N 1.87 0.07 -3.46 -1.09 -0.02 -1.26 -4.23 135.00 126.88 1plb n PRO 58 Ca 0.24 0.16 -0.43 0.00 -2.02 0.00 0.00 63.50 61.45 1plb n PRO 58 Cb 0.51 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.39 1plb n PRO 58 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1plb s GLU 59 N -2.36 2.96 1.17 -0.52 2.02 -1.26 -5.07 118.70 115.65 1plb s GLU 59 Ca 0.04 -1.07 -0.17 0.00 0.02 0.00 0.00 54.97 53.78 1plb s GLU 59 Cb 0.02 -3.99 0.20 0.00 0.10 0.00 0.00 34.13 30.47 1plb s GLU 59 CO 0.05 -0.79 0.40 0.66 0.02 0.00 0.00 175.26 175.60 1plb n TYR 60 N 5.16 -1.93 -3.68 1.61 4.01 -1.26 -4.93 117.16 116.13 1plb n TYR 60 Ca -0.11 -0.10 -0.10 0.00 -0.16 0.00 0.00 57.90 57.43 1plb n TYR 60 Cb 0.46 -1.52 -0.10 0.00 -0.31 0.00 0.00 39.34 37.88 1plb n TYR 60 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 1plb s LEU 61 N -3.33 -0.28 -0.21 7.72 0.05 -1.20 -5.03 118.68 116.40 1plb s LEU 61 Ca 0.57 1.06 0.15 0.00 0.05 0.00 0.00 54.13 55.96 1plb s LEU 61 Cb -0.14 1.65 0.46 0.00 -2.05 0.00 0.00 46.19 46.11 1plb s LEU 61 CO 0.59 -0.20 1.18 -0.46 -0.55 0.00 0.00 176.35 176.90 1plb n ASN 62 N 4.08 2.69 -4.69 1.48 0.23 -1.26 -2.27 115.26 115.52 1plb n ASN 62 Ca -0.21 -3.12 -0.36 0.00 -0.53 0.00 0.00 54.58 50.35 1plb n ASN 62 Cb 0.56 -0.41 -0.09 0.00 -2.08 0.00 0.00 39.78 37.76 1plb n ASN 62 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1plb s GLY 63 N -3.28 2.02 -0.16 4.83 0.00 -1.26 -4.94 107.32 104.53 1plb s GLY 63 Ca 0.39 -0.79 -0.29 0.00 0.00 0.00 0.00 44.72 44.04 1plb s GLY 63 CO -0.04 0.30 1.39 0.00 0.00 0.00 0.00 173.10 174.75 1plb s ALA 64 N 0.75 3.59 0.00 3.20 0.00 -1.26 -2.27 121.76 125.78 1plb s ALA 64 Ca 0.08 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1plb s ALA 64 Cb -0.12 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1plb s ALA 64 CO 0.02 -1.35 0.00 0.41 0.00 0.00 0.00 175.76 174.84 1plb n GLY 65 N 3.89 1.88 3.58 0.00 0.00 -1.24 -5.03 105.19 108.27 1plb n GLY 65 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1plb n GLY 65 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1plb n GLU 66 N -2.00 0.63 -4.00 1.61 4.07 -0.96 -4.54 120.64 115.45 1plb n GLU 66 Ca 0.00 0.26 -0.09 0.00 -0.06 0.00 0.00 57.16 57.27 1plb n GLU 66 Cb 0.00 -2.10 -0.08 0.00 -0.06 0.00 0.00 31.44 29.20 1plb n GLU 66 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1plb s THR 67 N -1.69 0.08 0.29 6.31 -4.23 -1.26 -2.25 115.64 112.89 1plb s THR 67 Ca 0.73 -1.50 0.03 0.00 -1.18 0.00 0.00 61.69 59.77 1plb s THR 67 Cb -0.38 -1.83 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 1plb s THR 67 CO 0.50 -0.39 0.15 -0.47 -0.54 0.00 0.00 174.62 173.87 1plb s TYR 68 N -3.97 1.56 0.08 3.99 5.04 -0.77 -4.97 117.35 118.31 1plb s TYR 68 Ca 0.17 -1.34 0.03 0.00 -2.44 0.00 0.00 57.07 53.50 1plb s TYR 68 Cb 0.04 -0.84 -0.03 0.00 0.35 0.00 0.00 41.96 41.48 1plb s TYR 68 CO -0.01 -0.50 -0.10 -1.21 -1.34 0.00 0.00 175.55 172.39 1plb s GLU 69 N -3.88 0.78 -0.23 4.97 2.02 -1.26 -1.98 118.70 119.12 1plb s GLU 69 Ca 0.36 -1.07 -0.17 0.00 0.02 0.00 0.00 54.97 54.11 1plb s GLU 69 Cb 0.06 -0.49 0.06 0.00 0.10 0.00 0.00 34.13 33.86 1plb s GLU 69 CO 0.17 0.08 0.59 0.08 0.02 0.00 0.00 175.26 176.20 1plb s VAL 70 N -2.20 -0.00 -0.34 2.63 1.01 -0.50 -4.98 120.40 116.01 1plb s VAL 70 Ca 0.02 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1plb s VAL 70 Cb -0.04 -0.84 0.11 0.00 0.00 0.00 0.00 36.38 35.60 1plb s VAL 70 CO -0.00 0.01 0.14 -0.89 0.00 0.00 0.00 175.10 174.36 1plb s THR 71 N 0.90 0.84 0.67 3.92 2.01 -1.26 -0.66 115.64 122.07 1plb s THR 71 Ca -0.05 -1.62 -0.11 0.00 0.31 0.00 0.00 61.69 60.22 1plb s THR 71 Cb -0.05 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 1plb s THR 71 CO -0.08 -0.76 1.07 -0.76 -0.69 0.00 0.00 174.62 173.40 1plb s LEU 72 N 1.33 3.04 -0.21 4.42 1.43 -1.26 -5.01 118.68 122.42 1plb s LEU 72 Ca 0.12 1.30 0.16 0.00 -1.03 0.00 0.00 54.13 54.68 1plb s LEU 72 Cb -0.19 -4.20 0.38 0.00 0.03 0.00 0.00 46.19 42.21 1plb s LEU 72 CO -0.18 -1.18 1.26 0.35 0.23 0.00 0.00 176.35 176.83 1plb n THR 73 N -2.93 0.40 -3.67 5.49 -2.24 -1.26 -3.94 114.28 106.13 1plb n THR 73 Ca 0.07 -1.44 -0.28 0.00 -2.27 0.00 0.00 64.05 60.12 1plb n THR 73 Cb 0.56 1.02 -0.16 0.00 -2.10 0.00 0.00 70.33 69.64 1plb n THR 73 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1plb s GLU 74 N -1.16 0.50 -0.43 -0.78 0.41 -1.26 -4.99 118.70 110.98 1plb s GLU 74 Ca 0.17 -0.61 -0.38 0.00 -0.41 0.00 0.00 54.97 53.75 1plb s GLU 74 Cb 0.33 -1.81 -0.14 0.00 -1.78 0.00 0.00 34.13 30.72 1plb s GLU 74 CO -0.09 -0.84 2.21 0.36 -0.49 0.00 0.00 175.26 176.41 1plb n LYS 75 N 5.06 0.68 0.00 1.61 2.85 -1.26 -4.60 118.16 122.49 1plb n LYS 75 Ca -0.06 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1plb n LYS 75 Cb 0.45 -2.13 0.00 0.00 -0.65 0.00 0.00 35.03 32.69 1plb n LYS 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1plb n GLY 76 N 6.84 -0.90 3.00 2.58 0.00 -0.71 -4.92 105.19 111.08 1plb n GLY 76 Ca 0.47 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.24 1plb n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1plb s THR 77 N -4.00 -0.00 -0.08 2.61 -4.23 -1.26 -1.76 115.64 106.92 1plb s THR 77 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1plb s THR 77 Cb 0.00 -0.18 0.02 0.00 1.34 0.00 0.00 72.50 73.67 1plb s THR 77 CO 0.00 0.00 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.67 1plb s TYR 78 N 0.09 1.42 -0.26 3.99 1.51 -1.02 -4.32 117.35 118.75 1plb s TYR 78 Ca -0.00 -0.57 -0.12 0.00 -1.01 0.00 0.00 57.07 55.37 1plb s TYR 78 Cb -0.01 -1.08 -0.05 0.00 -0.11 0.00 0.00 41.96 40.71 1plb s TYR 78 CO 0.00 -0.33 0.22 0.15 -1.11 0.00 0.00 175.55 174.47 1plb s LYS 79 N 0.95 4.00 0.26 -0.62 3.01 -1.26 -2.60 119.74 123.49 1plb s LYS 79 Ca -0.09 -0.23 0.05 0.00 -1.01 0.00 0.00 55.97 54.68 1plb s LYS 79 Cb -0.15 -3.62 -0.06 0.00 -1.01 0.00 0.00 37.83 33.00 1plb s LYS 79 CO 0.00 -0.12 -0.01 -0.59 0.51 0.00 0.00 175.35 175.14 1plb s PHE 80 N 1.58 1.73 0.11 3.18 -0.71 0.14 -1.50 117.98 122.52 1plb s PHE 80 Ca 0.09 -0.86 -0.20 0.00 -1.04 0.00 0.00 56.93 54.93 1plb s PHE 80 Cb -0.15 -1.02 0.07 0.00 -1.21 0.00 0.00 43.02 40.71 1plb s PHE 80 CO 0.09 0.07 0.92 2.48 -1.34 0.00 0.00 175.22 177.44 1plb n TYR 81 N -0.50 -1.01 -3.94 3.49 4.11 -0.86 0.20 117.16 118.63 1plb n TYR 81 Ca -0.05 -0.96 -0.35 0.00 -0.00 0.00 0.00 57.90 56.54 1plb n TYR 81 Cb 0.64 0.46 -0.12 0.00 -0.00 0.00 0.00 39.34 40.32 1plb n TYR 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1plb h GLU 83 N 7.68 0.62 -0.31 0.00 4.81 -1.90 -2.23 114.58 123.25 1plb h GLU 83 Ca -0.37 -0.28 -0.09 0.00 -0.13 0.00 0.00 59.36 58.49 1plb h GLU 83 Cb 1.18 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1plb h GLU 83 CO 0.61 0.86 -0.14 -1.00 -0.73 0.00 0.00 179.01 178.61 1plb h PRO 84 N 0.36 0.64 -0.72 0.92 0.14 -1.95 -3.04 132.00 128.36 1plb h PRO 84 Ca 0.06 -0.28 -0.01 0.00 0.14 0.00 0.00 66.00 65.91 1plb h PRO 84 Cb 0.69 -0.02 -0.00 0.00 0.14 0.00 0.00 31.00 31.81 1plb h PRO 84 CO 0.05 0.86 0.01 0.72 0.14 0.00 0.00 178.00 179.78 1plb n HIS 85 N -4.39 1.45 0.40 1.56 8.25 -1.24 -4.21 115.22 117.04 1plb n HIS 85 Ca -0.03 -0.52 0.11 0.00 -0.26 0.00 0.00 57.72 57.02 1plb n HIS 85 Cb 0.38 -0.39 0.46 0.00 1.12 0.00 0.00 29.99 31.55 1plb n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1plb n ALA 86 N 0.41 1.63 0.24 -1.41 0.00 -0.84 -2.16 120.51 118.37 1plb n ALA 86 Ca 0.20 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.83 1plb n ALA 86 Cb 0.91 -1.36 0.48 0.00 0.00 0.00 0.00 19.45 19.49 1plb n ALA 86 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1plb h GLY 87 N 2.18 0.00 0.62 0.00 0.00 -1.82 -3.17 103.07 100.87 1plb h GLY 87 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1plb h GLY 87 CO 0.00 0.00 -1.98 0.00 0.00 0.00 0.00 176.54 174.56 1plb n ALA 88 N -2.16 1.23 0.00 3.60 0.00 -0.92 -4.98 120.51 117.28 1plb n ALA 88 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1plb n ALA 88 Cb 0.42 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1plb n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1plb n GLY 89 N 1.84 1.51 3.58 0.00 0.00 -1.19 -5.09 105.19 105.85 1plb n GLY 89 Ca -0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1plb n GLY 89 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1plb s MET 90 N 0.00 3.45 0.33 1.61 0.00 -1.18 -4.90 119.30 118.61 1plb s MET 90 Ca 0.00 0.53 0.03 0.00 0.00 0.00 0.00 55.69 56.25 1plb s MET 90 Cb 0.00 -4.06 -0.04 0.00 0.00 0.00 0.00 34.83 30.73 1plb s MET 90 CO 0.00 -1.75 0.13 -1.59 0.00 0.00 0.00 175.02 171.81 1plb s LYS 91 N 5.16 1.67 -0.02 4.11 -2.85 -1.26 -2.58 119.74 123.97 1plb s LYS 91 Ca 0.52 -1.96 -0.17 0.00 -1.00 0.00 0.00 55.97 53.36 1plb s LYS 91 Cb -0.10 -0.37 0.03 0.00 -2.06 0.00 0.00 37.83 35.33 1plb s LYS 91 CO 0.28 -0.40 0.36 0.20 0.10 0.00 0.00 175.35 175.89 1plb s GLY 92 N -3.45 -0.21 -0.14 0.59 0.00 0.53 -4.33 107.32 100.31 1plb s GLY 92 Ca 0.33 0.48 -0.15 0.00 0.00 0.00 0.00 44.72 45.38 1plb s GLY 92 CO 0.16 0.26 0.42 1.85 0.00 0.00 0.00 173.10 175.79 1plb s GLU 93 N -1.26 0.54 -0.05 2.90 2.12 -1.06 -0.69 118.70 121.21 1plb s GLU 93 Ca -0.13 0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.69 1plb s GLU 93 Cb -0.04 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.63 1plb s GLU 93 CO 0.05 -0.08 -0.01 0.54 -0.54 0.00 0.00 175.26 175.21 1plb s VAL 94 N -0.00 0.36 -0.50 3.70 0.11 -1.07 -2.48 120.40 120.51 1plb s VAL 94 Ca -0.02 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 58.94 1plb s VAL 94 Cb -0.03 -0.46 0.12 0.00 -1.53 0.00 0.00 36.38 34.49 1plb s VAL 94 CO 0.01 0.21 0.41 -0.89 -3.33 0.00 0.00 175.10 171.51 1plb s THR 95 N 1.30 4.63 0.49 5.04 2.01 -0.87 -2.43 115.64 125.80 1plb s THR 95 Ca -0.05 -1.67 -0.16 0.00 0.31 0.00 0.00 61.69 60.11 1plb s THR 95 Cb -0.13 -4.01 -0.08 0.00 0.01 0.00 0.00 72.50 68.29 1plb s THR 95 CO -0.02 -0.82 0.95 -0.69 -0.69 0.00 0.00 174.62 173.35 1plb s VAL 96 N 1.46 4.55 0.00 3.82 1.01 -0.72 -1.46 120.40 129.06 1plb s VAL 96 Ca 0.05 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1plb s VAL 96 Cb -0.28 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1plb s VAL 96 CO 0.01 -0.63 0.21 0.59 0.00 0.00 0.00 175.10 175.28