#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pla s GLU 2 N 0.00 3.49 -0.17 0.00 2.02 -1.26 -1.31 118.70 121.46 1pla s GLU 2 Ca 0.00 -0.58 -0.03 0.00 0.02 0.00 0.00 54.97 54.38 1pla s GLU 2 Cb 0.00 -3.01 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 1pla s GLU 2 CO 0.00 -0.07 -0.06 0.08 0.02 0.00 0.00 175.26 175.23 1pla s VAL 3 N 1.18 3.51 -0.30 2.63 1.01 -0.70 -4.56 120.40 123.17 1pla s VAL 3 Ca 0.02 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 1pla s VAL 3 Cb -0.14 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1pla s VAL 3 CO -0.00 0.47 0.26 -0.54 0.00 0.00 0.00 175.10 175.29 1pla s LYS 4 N 0.77 3.82 -0.54 2.72 1.02 0.14 0.02 119.74 127.69 1pla s LYS 4 Ca -0.02 -0.32 -0.27 0.00 0.02 0.00 0.00 55.97 55.37 1pla s LYS 4 Cb -0.15 -3.71 0.03 0.00 -0.52 0.00 0.00 37.83 33.49 1pla s LYS 4 CO 0.02 -0.30 1.10 -0.51 -0.92 0.00 0.00 175.35 174.73 1pla s LEU 5 N 1.85 3.69 0.00 3.17 1.43 -0.05 -2.51 118.68 126.26 1pla s LEU 5 Ca 0.09 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1pla s LEU 5 Cb -0.16 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1pla s LEU 5 CO 0.11 -1.34 0.00 0.61 0.23 0.00 0.00 176.35 175.96 1pla n GLY 6 N 5.03 3.18 3.87 -3.19 0.00 -1.08 -2.94 105.19 110.06 1pla n GLY 6 Ca 0.07 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 1pla n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pla s SER 7 N 0.00 5.45 0.34 1.61 1.04 -0.17 -4.59 113.70 117.38 1pla s SER 7 Ca 0.00 1.18 0.03 0.00 0.48 0.00 0.00 55.95 57.65 1pla s SER 7 Cb 0.00 -2.00 0.61 0.00 0.10 0.00 0.00 66.02 64.73 1pla s SER 7 CO 0.00 -1.34 1.93 0.44 0.98 0.00 0.00 173.24 175.25 1pla h ASP 8 N -0.66 0.61 0.00 7.02 5.19 -1.97 -3.40 116.42 123.22 1pla h ASP 8 Ca -0.45 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 1pla h ASP 8 Cb 1.25 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.60 1pla h ASP 8 CO 0.63 0.56 0.00 -0.90 -3.12 0.00 0.00 179.24 176.41 1pla n ASP 9 N -4.35 0.00 -0.01 6.45 5.68 -1.26 -5.03 116.55 118.02 1pla n ASP 9 Ca 0.03 -0.52 -0.01 0.00 -0.50 0.00 0.00 54.79 53.79 1pla n ASP 9 Cb 0.16 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1pla n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pla n GLY 10 N 0.00 -0.52 0.00 6.12 0.00 -1.26 -5.13 105.19 104.40 1pla n GLY 10 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1pla n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pla n GLY 11 N 1.56 2.97 3.22 -0.02 0.00 -1.26 -5.02 105.19 106.64 1pla n GLY 11 Ca -0.02 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 1pla n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pla s LEU 12 N 0.00 3.84 0.11 0.99 1.43 -1.26 -1.00 118.68 122.78 1pla s LEU 12 Ca 0.00 -1.09 -0.13 0.00 -1.03 0.00 0.00 54.13 51.88 1pla s LEU 12 Cb 0.00 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1pla s LEU 12 CO 0.00 -0.24 0.31 0.68 0.23 0.00 0.00 176.35 177.33 1pla s VAL 13 N 1.33 0.10 -0.35 -1.59 -7.23 -1.26 -4.42 120.40 106.98 1pla s VAL 13 Ca -0.02 -0.83 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 1pla s VAL 13 Cb -0.19 -1.22 0.01 0.00 0.56 0.00 0.00 36.38 35.54 1pla s VAL 13 CO -0.00 -0.46 1.17 -0.36 -0.31 0.00 0.00 175.10 175.14 1pla s PHE 14 N -3.76 2.91 -0.32 2.82 0.08 -1.26 -2.63 117.98 115.82 1pla s PHE 14 Ca 0.03 0.98 -0.00 0.00 0.12 0.00 0.00 56.93 58.06 1pla s PHE 14 Cb 0.03 -3.92 0.07 0.00 -0.57 0.00 0.00 43.02 38.63 1pla s PHE 14 CO -0.11 -1.21 0.03 -1.12 -0.10 0.00 0.00 175.22 172.71 1pla s SER 15 N 2.25 4.87 1.27 1.36 0.01 -1.05 -0.87 113.70 121.55 1pla s SER 15 Ca 0.50 -1.62 -0.20 0.00 1.31 0.00 0.00 55.95 55.94 1pla s SER 15 Cb -0.13 -1.69 0.31 0.00 0.21 0.00 0.00 66.02 64.72 1pla s SER 15 CO 0.21 -0.33 1.06 -2.16 0.41 0.00 0.00 173.24 172.44 1pla s PRO 16 N 1.14 -1.75 -0.23 12.44 0.04 -1.26 0.26 135.00 145.64 1pla s PRO 16 Ca -0.00 -0.03 -0.16 0.00 0.04 0.00 0.00 61.00 60.85 1pla s PRO 16 Cb -0.20 -1.53 -0.17 0.00 0.04 0.00 0.00 34.50 32.63 1pla s PRO 16 CO -0.04 -4.06 0.00 0.43 0.04 0.00 0.00 177.00 173.37 1pla n SER 17 N -5.02 1.93 -3.94 6.66 7.64 -0.05 -4.88 113.62 115.97 1pla n SER 17 Ca 0.13 0.33 -0.14 0.00 1.01 0.00 0.00 58.87 60.20 1pla n SER 17 Cb 0.60 -0.86 -0.14 0.00 -1.01 0.00 0.00 64.21 62.79 1pla n SER 17 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1pla s SER 18 N -7.08 0.43 -0.21 6.43 0.01 -1.26 -2.38 113.70 109.64 1pla s SER 18 Ca -0.32 -0.11 -0.27 0.00 1.31 0.00 0.00 55.95 56.56 1pla s SER 18 Cb 0.09 -0.04 0.09 0.00 0.21 0.00 0.00 66.02 66.38 1pla s SER 18 CO 0.58 0.02 0.82 0.72 0.41 0.00 0.00 173.24 175.78 1pla s PHE 19 N -0.21 -0.64 0.32 2.43 -0.71 -1.01 -5.00 117.98 113.16 1pla s PHE 19 Ca 0.00 1.43 -0.05 0.00 -1.04 0.00 0.00 56.93 57.27 1pla s PHE 19 Cb -0.02 0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 42.08 1pla s PHE 19 CO -0.00 -0.39 0.60 0.95 -1.34 0.00 0.00 175.22 175.04 1pla s THR 20 N -0.15 4.99 0.06 -4.49 -4.23 -1.26 -2.25 115.64 108.31 1pla s THR 20 Ca -0.02 0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 60.50 1pla s THR 20 Cb -0.03 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.05 1pla s THR 20 CO 0.01 -0.41 0.20 0.68 -0.54 0.00 0.00 174.62 174.57 1pla s VAL 21 N -2.19 0.12 0.29 2.29 -7.23 -0.73 -4.88 120.40 108.08 1pla s VAL 21 Ca 0.45 -1.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.33 1pla s VAL 21 Cb -0.10 -1.10 -0.09 0.00 0.56 0.00 0.00 36.38 35.64 1pla s VAL 21 CO 0.32 -0.55 1.06 0.00 -0.31 0.00 0.00 175.10 175.62 1pla s ALA 22 N -3.14 3.34 -0.78 1.32 0.00 -1.26 -0.94 121.76 120.30 1pla s ALA 22 Ca -0.01 0.82 -0.26 0.00 0.00 0.00 0.00 51.96 52.52 1pla s ALA 22 Cb 0.02 -3.30 -0.22 0.00 0.00 0.00 0.00 23.12 19.62 1pla s ALA 22 CO -0.07 -0.11 1.90 0.00 0.00 0.00 0.00 175.76 177.48 1pla n ALA 23 N 1.01 1.47 0.00 0.00 0.00 -1.12 -1.81 120.51 120.06 1pla n ALA 23 Ca -0.00 -2.80 0.00 0.00 0.00 0.00 0.00 53.44 50.64 1pla n ALA 23 Cb 0.46 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.36 1pla n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 24 N 5.41 0.00 3.80 0.00 0.00 -1.26 -4.94 105.19 108.19 1pla n GLY 24 Ca 0.45 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 1pla n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pla s GLU 25 N 0.00 2.94 -0.00 1.61 2.12 -0.75 -5.10 118.70 119.52 1pla s GLU 25 Ca 0.00 -0.70 -0.12 0.00 0.36 0.00 0.00 54.97 54.50 1pla s GLU 25 Cb 0.00 -2.74 -0.05 0.00 0.26 0.00 0.00 34.13 31.59 1pla s GLU 25 CO 0.00 0.55 0.36 0.15 -0.54 0.00 0.00 175.26 175.79 1pla s LYS 26 N -2.55 3.81 0.17 4.30 1.02 -1.26 -4.58 119.74 120.64 1pla s LYS 26 Ca 0.30 0.28 0.10 0.00 0.02 0.00 0.00 55.97 56.67 1pla s LYS 26 Cb -0.12 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 1pla s LYS 26 CO 0.23 0.68 -0.20 0.42 -0.92 0.00 0.00 175.35 175.56 1pla s ILE 27 N -1.14 2.65 -0.19 2.17 1.01 -0.94 -0.66 121.20 124.09 1pla s ILE 27 Ca 0.24 -1.81 -0.04 0.00 0.00 0.00 0.00 60.65 59.04 1pla s ILE 27 Cb -0.15 -2.26 0.10 0.00 0.01 0.00 0.00 42.46 40.15 1pla s ILE 27 CO 0.13 -0.05 0.29 0.42 0.00 0.00 0.00 174.94 175.72 1pla s THR 28 N -1.52 -0.45 -0.33 2.92 -4.23 -0.42 -2.25 115.64 109.37 1pla s THR 28 Ca 0.21 0.03 -0.25 0.00 -1.18 0.00 0.00 61.69 60.49 1pla s THR 28 Cb -0.09 -0.65 0.01 0.00 1.34 0.00 0.00 72.50 73.11 1pla s THR 28 CO 0.11 -0.07 0.89 -0.36 -0.54 0.00 0.00 174.62 174.65 1pla s PHE 29 N 2.43 3.16 -0.12 3.99 0.08 -0.24 -1.71 117.98 125.57 1pla s PHE 29 Ca 0.06 0.89 -0.01 0.00 0.12 0.00 0.00 56.93 57.99 1pla s PHE 29 Cb -0.14 -3.44 -0.02 0.00 -0.57 0.00 0.00 43.02 38.84 1pla s PHE 29 CO -0.12 -0.68 -0.09 0.21 -0.10 0.00 0.00 175.22 174.44 1pla s LYS 30 N 3.26 3.29 -0.59 0.44 2.20 0.10 -1.92 119.74 126.52 1pla s LYS 30 Ca 0.37 -0.60 -0.28 0.00 -0.36 0.00 0.00 55.97 55.10 1pla s LYS 30 Cb -0.13 -2.70 0.01 0.00 -1.51 0.00 0.00 37.83 33.50 1pla s LYS 30 CO 0.15 0.35 1.42 -0.80 -0.36 0.00 0.00 175.35 176.11 1pla s ASN 31 N 0.03 6.09 -0.03 1.43 0.02 -0.88 -0.87 114.94 120.73 1pla s ASN 31 Ca -0.02 0.20 0.18 0.00 -1.02 0.00 0.00 52.86 52.19 1pla s ASN 31 Cb -0.14 -2.55 -0.20 0.00 0.02 0.00 0.00 41.25 38.38 1pla s ASN 31 CO 0.03 -1.76 0.57 -0.46 0.02 0.00 0.00 177.10 175.50 1pla n ASN 32 N 9.70 0.51 0.00 -1.22 6.94 -1.16 -3.32 115.26 126.71 1pla n ASN 32 Ca 0.12 0.23 0.00 0.00 -0.02 0.00 0.00 54.58 54.90 1pla n ASN 32 Cb 0.49 0.65 0.00 0.00 -2.36 0.00 0.00 39.78 38.56 1pla n ASN 32 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pla n ALA 33 N -2.48 0.00 -0.52 -2.53 0.00 -1.15 -4.99 120.51 108.85 1pla n ALA 33 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1pla n ALA 33 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.34 1pla n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 34 N -0.04 0.74 3.30 0.00 0.00 -1.26 -4.08 105.19 103.84 1pla n GLY 34 Ca 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1pla n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pla n PHE 35 N -2.52 -2.07 -1.09 1.61 3.72 -1.26 -4.75 117.46 111.11 1pla n PHE 35 Ca 0.00 0.19 -0.11 0.00 -0.05 0.00 0.00 57.45 57.48 1pla n PHE 35 Cb 0.00 -1.66 0.08 0.00 -0.94 0.00 0.00 39.48 36.97 1pla n PHE 35 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1pla n PRO 36 N -0.87 -1.02 -4.01 -1.08 -0.04 -1.26 -5.11 135.00 121.61 1pla n PRO 36 Ca 0.04 -0.72 -0.10 0.00 -0.04 0.00 0.00 63.50 62.67 1pla n PRO 36 Cb 0.57 -0.55 -0.05 0.00 -0.04 0.00 0.00 33.50 33.43 1pla n PRO 36 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1pla s HIS 37 N -1.95 0.51 -0.03 0.54 3.76 -1.07 -5.03 115.29 112.02 1pla s HIS 37 Ca 0.28 -0.86 -0.14 0.00 -0.15 0.00 0.00 55.06 54.19 1pla s HIS 37 Cb -0.01 0.14 0.03 0.00 1.11 0.00 0.00 32.58 33.84 1pla s HIS 37 CO 0.20 -1.03 0.32 1.21 -0.85 0.00 0.00 174.74 174.58 1pla s ASN 38 N -3.07 -0.22 -0.16 1.40 3.04 -1.26 -2.94 114.94 111.73 1pla s ASN 38 Ca 0.24 0.19 -0.03 0.00 0.04 0.00 0.00 52.86 53.31 1pla s ASN 38 Cb -0.01 0.38 0.05 0.00 -1.54 0.00 0.00 41.25 40.14 1pla s ASN 38 CO 0.11 -0.39 0.04 -0.63 -3.04 0.00 0.00 177.10 173.19 1pla s ILE 39 N -1.07 0.40 0.05 -5.21 1.09 -1.26 -3.92 121.20 111.28 1pla s ILE 39 Ca -0.11 -0.36 0.03 0.00 -1.10 0.00 0.00 60.65 59.11 1pla s ILE 39 Cb -0.05 -0.86 -0.02 0.00 -1.06 0.00 0.00 42.46 40.47 1pla s ILE 39 CO 0.04 -0.12 -0.09 -0.69 -0.10 0.00 0.00 174.94 173.98 1pla s VAL 40 N 1.92 0.65 -0.19 2.92 1.01 -1.05 0.02 120.40 125.68 1pla s VAL 40 Ca 0.01 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 60.82 1pla s VAL 40 Cb -0.16 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1pla s VAL 40 CO -0.07 -0.33 0.05 -0.36 0.00 0.00 0.00 175.10 174.38 1pla s PHE 41 N -1.32 3.19 0.07 5.22 0.40 -1.26 -2.27 117.98 122.02 1pla s PHE 41 Ca -0.08 -0.05 -0.31 0.00 -0.60 0.00 0.00 56.93 55.89 1pla s PHE 41 Cb -0.10 -2.09 -0.08 0.00 0.51 0.00 0.00 43.02 41.27 1pla s PHE 41 CO 0.01 0.05 1.54 0.34 0.70 0.00 0.00 175.22 177.85 1pla s ASP 42 N 0.56 6.70 0.00 1.36 -1.08 -0.90 -4.84 116.67 118.48 1pla s ASP 42 Ca 0.02 2.37 0.00 0.00 -0.52 0.00 0.00 52.55 54.43 1pla s ASP 42 Cb -0.13 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 1pla s ASP 42 CO 0.01 -0.80 0.56 -0.62 0.52 0.00 0.00 175.17 174.84 1pla n GLU 43 N 5.11 0.60 0.00 4.34 1.02 -1.26 -2.20 120.64 128.25 1pla n GLU 43 Ca 0.14 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.36 1pla n GLU 43 Cb 0.41 -1.05 -0.02 0.00 -0.02 0.00 0.00 31.44 30.77 1pla n GLU 43 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pla n ASP 44 N -0.39 1.47 -2.76 1.62 8.00 -1.26 -4.58 116.55 118.64 1pla n ASP 44 Ca 0.00 -1.23 -0.10 0.00 0.71 0.00 0.00 54.79 54.16 1pla n ASP 44 Cb 0.02 0.55 0.03 0.00 -0.02 0.00 0.00 41.12 41.71 1pla n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pla n GLU 45 N -0.32 1.11 -3.95 -1.24 1.02 -0.94 -5.09 120.64 111.23 1pla n GLU 45 Ca 0.06 -3.08 -0.11 0.00 -0.02 0.00 0.00 57.16 54.01 1pla n GLU 45 Cb 0.32 -1.18 -0.12 0.00 -0.02 0.00 0.00 31.44 30.43 1pla n GLU 45 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pla s VAL 46 N -2.55 0.11 1.02 2.62 1.01 -1.25 -2.57 120.40 118.78 1pla s VAL 46 Ca 0.29 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 1pla s VAL 46 Cb 0.43 -0.19 0.10 0.00 0.00 0.00 0.00 36.38 36.72 1pla s VAL 46 CO 0.00 -0.29 0.46 -2.65 0.00 0.00 0.00 175.10 172.63 1pla n PRO 47 N 2.18 -0.93 -1.99 2.72 -0.01 -1.26 -4.84 135.00 130.87 1pla n PRO 47 Ca -0.19 -0.23 -0.40 0.00 -0.01 0.00 0.00 63.50 62.66 1pla n PRO 47 Cb 0.57 -1.92 -0.00 0.00 -0.01 0.00 0.00 33.50 32.14 1pla n PRO 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1pla n ALA 48 N -4.08 6.63 0.00 3.55 0.00 -1.26 -3.99 120.51 121.36 1pla n ALA 48 Ca 0.05 -4.08 0.00 0.00 0.00 0.00 0.00 53.44 49.41 1pla n ALA 48 Cb 0.56 -2.86 0.00 0.00 0.00 0.00 0.00 19.45 17.15 1pla n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 49 N 2.05 -0.14 3.57 0.00 0.00 -1.26 -5.04 105.19 104.38 1pla n GLY 49 Ca 0.60 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.20 1pla n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pla s VAL 50 N -1.64 4.02 0.24 1.61 1.01 -1.26 -4.96 120.40 119.43 1pla s VAL 50 Ca 0.00 -1.42 -0.28 0.00 0.00 0.00 0.00 61.98 60.28 1pla s VAL 50 Cb 0.00 -5.11 -0.16 0.00 0.00 0.00 0.00 36.38 31.11 1pla s VAL 50 CO 0.00 -1.95 0.78 -3.20 0.00 0.00 0.00 175.10 170.73 1pla n ASN 51 N 8.82 0.08 0.08 3.32 5.15 -1.26 -4.78 115.26 126.66 1pla n ASN 51 Ca 0.43 1.15 -0.06 0.00 -0.60 0.00 0.00 54.58 55.50 1pla n ASN 51 Cb 0.48 -1.12 0.08 0.00 -0.53 0.00 0.00 39.78 38.69 1pla n ASN 51 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pla h ALA 52 N 1.57 0.74 0.00 5.20 0.00 -1.92 -2.92 119.26 121.93 1pla h ALA 52 Ca -0.34 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1pla h ALA 52 Cb 1.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1pla h ALA 52 CO 0.59 0.78 0.00 1.49 0.00 0.00 0.00 179.25 182.11 1pla h GLU 53 N 0.18 0.00 0.09 0.00 4.81 -1.91 0.66 114.58 118.40 1pla h GLU 53 Ca -0.02 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.98 1pla h GLU 53 Cb 1.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1pla h GLU 53 CO 0.11 0.00 -1.17 -0.22 -0.73 0.00 0.00 179.01 177.00 1pla h LYS 54 N 0.00 0.18 0.00 1.92 1.63 -1.87 -3.36 116.57 115.07 1pla h LYS 54 Ca 0.00 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1pla h LYS 54 Cb 0.08 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1pla h LYS 54 CO 0.00 1.15 -0.71 0.44 -3.45 0.00 0.00 179.45 176.88 1pla n ILE 55 N -4.10 0.23 -1.73 2.00 -5.35 -1.01 -4.91 119.36 104.49 1pla n ILE 55 Ca -0.23 -0.21 -0.29 0.00 -0.27 0.00 0.00 62.75 61.75 1pla n ILE 55 Cb 0.81 0.05 0.15 0.00 -1.74 0.00 0.00 39.64 38.91 1pla n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1pla s SER 56 N -3.89 3.42 -0.57 7.28 0.01 0.23 -4.90 113.70 115.28 1pla s SER 56 Ca 0.06 0.64 0.05 0.00 1.31 0.00 0.00 55.95 58.02 1pla s SER 56 Cb 0.14 -0.98 0.18 0.00 0.21 0.00 0.00 66.02 65.57 1pla s SER 56 CO 0.74 -2.57 0.45 0.00 0.41 0.00 0.00 173.24 172.27 1pla n GLN 57 N -3.73 1.15 0.05 12.44 6.02 0.10 -4.92 117.38 128.49 1pla n GLN 57 Ca 0.11 -3.90 0.04 0.00 -0.01 0.00 0.00 57.00 53.23 1pla n GLN 57 Cb 0.60 -1.98 0.20 0.00 1.02 0.00 0.00 30.24 30.08 1pla n GLN 57 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1pla n PRO 58 N 2.21 0.04 -3.59 -1.09 -0.02 -1.26 -4.35 135.00 126.94 1pla n PRO 58 Ca 0.25 0.52 -0.39 0.00 -2.02 0.00 0.00 63.50 61.86 1pla n PRO 58 Cb 0.42 -1.64 -0.11 0.00 -0.02 0.00 0.00 33.50 32.15 1pla n PRO 58 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1pla s GLU 59 N -3.16 3.59 0.91 -0.52 8.01 -1.26 -5.07 118.70 121.19 1pla s GLU 59 Ca -0.00 -0.57 -0.11 0.00 0.01 0.00 0.00 54.97 54.30 1pla s GLU 59 Cb 0.03 -3.69 0.12 0.00 -4.31 0.00 0.00 34.13 26.28 1pla s GLU 59 CO 0.08 -0.36 1.00 0.66 0.01 0.00 0.00 175.26 176.66 1pla n TYR 60 N 5.06 0.44 -4.47 1.61 4.01 -1.26 -4.93 117.16 117.61 1pla n TYR 60 Ca -0.13 0.37 -0.24 0.00 -0.16 0.00 0.00 57.90 57.73 1pla n TYR 60 Cb 0.50 -1.97 -0.13 0.00 -0.31 0.00 0.00 39.34 37.43 1pla n TYR 60 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 1pla s LEU 61 N -5.34 2.22 -0.43 7.72 0.05 -1.15 -5.06 118.68 116.68 1pla s LEU 61 Ca 0.66 -0.58 0.08 0.00 0.05 0.00 0.00 54.13 54.34 1pla s LEU 61 Cb -0.24 -0.90 0.34 0.00 -2.05 0.00 0.00 46.19 43.34 1pla s LEU 61 CO 0.59 0.11 1.06 -0.46 -0.55 0.00 0.00 176.35 177.09 1pla n ASN 62 N 1.56 -1.51 -4.00 1.48 6.94 -1.26 -2.59 115.26 115.87 1pla n ASN 62 Ca -0.18 -3.40 -0.24 0.00 -0.02 0.00 0.00 54.58 50.74 1pla n ASN 62 Cb 0.54 1.23 -0.17 0.00 -2.36 0.00 0.00 39.78 39.02 1pla n ASN 62 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1pla s GLY 63 N -1.57 0.74 -0.51 4.83 0.00 -1.26 -4.99 107.32 104.56 1pla s GLY 63 Ca 0.26 -0.36 -0.27 0.00 0.00 0.00 0.00 44.72 44.35 1pla s GLY 63 CO -0.06 0.16 1.79 0.00 0.00 0.00 0.00 173.10 174.99 1pla s ALA 64 N 0.69 2.47 0.00 3.20 0.00 -1.26 -1.60 121.76 125.25 1pla s ALA 64 Ca -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1pla s ALA 64 Cb -0.15 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 18.78 1pla s ALA 64 CO 0.03 -3.37 0.00 0.41 0.00 0.00 0.00 175.76 172.83 1pla n GLY 65 N 5.55 0.41 3.74 0.00 0.00 -1.21 -5.07 105.19 108.61 1pla n GLY 65 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1pla n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pla s GLU 66 N -0.78 2.69 0.16 1.61 -6.30 -0.63 -4.65 118.70 110.80 1pla s GLU 66 Ca 0.00 1.77 -0.09 0.00 -2.50 0.00 0.00 54.97 54.15 1pla s GLU 66 Cb 0.00 -1.90 -0.01 0.00 0.00 0.00 0.00 34.13 32.22 1pla s GLU 66 CO 0.00 -1.42 0.29 0.95 0.02 0.00 0.00 175.26 175.10 1pla s THR 67 N -1.78 0.07 -0.01 -1.70 -4.23 -1.26 -2.07 115.64 104.65 1pla s THR 67 Ca 0.76 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.91 1pla s THR 67 Cb -0.29 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 71.72 1pla s THR 67 CO 0.38 -0.30 -0.05 -0.47 -0.54 0.00 0.00 174.62 173.64 1pla s TYR 68 N -3.96 0.47 0.15 3.99 5.04 -0.81 -4.96 117.35 117.26 1pla s TYR 68 Ca 0.17 -0.09 0.06 0.00 -2.44 0.00 0.00 57.07 54.77 1pla s TYR 68 Cb 0.03 -0.34 -0.04 0.00 0.35 0.00 0.00 41.96 41.97 1pla s TYR 68 CO -0.00 -0.03 0.04 -1.21 -1.34 0.00 0.00 175.55 173.01 1pla s GLU 69 N 0.06 2.60 -0.21 4.97 2.02 -1.26 -1.08 118.70 125.81 1pla s GLU 69 Ca -0.00 -0.95 -0.19 0.00 0.02 0.00 0.00 54.97 53.84 1pla s GLU 69 Cb -0.04 -2.50 0.05 0.00 0.10 0.00 0.00 34.13 31.74 1pla s GLU 69 CO -0.00 0.49 0.55 0.54 0.02 0.00 0.00 175.26 176.86 1pla s VAL 70 N -1.62 -0.00 -0.38 2.63 0.11 -0.95 -5.00 120.40 115.19 1pla s VAL 70 Ca 0.28 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.35 1pla s VAL 70 Cb -0.10 -0.77 0.11 0.00 -1.53 0.00 0.00 36.38 34.09 1pla s VAL 70 CO 0.20 0.00 0.14 -0.89 -3.33 0.00 0.00 175.10 171.22 1pla s THR 71 N 0.30 1.69 0.64 5.04 2.01 -1.26 -2.22 115.64 121.84 1pla s THR 71 Ca -0.00 -2.26 -0.11 0.00 0.31 0.00 0.00 61.69 59.63 1pla s THR 71 Cb -0.04 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 1pla s THR 71 CO 0.01 -0.73 1.05 -0.76 -0.69 0.00 0.00 174.62 173.49 1pla s LEU 72 N 0.80 3.16 0.00 4.42 1.43 -1.26 -5.00 118.68 122.23 1pla s LEU 72 Ca 0.13 1.37 0.06 0.00 -1.03 0.00 0.00 54.13 54.67 1pla s LEU 72 Cb -0.21 -4.36 0.11 0.00 0.03 0.00 0.00 46.19 41.75 1pla s LEU 72 CO -0.10 -1.00 0.92 0.35 0.23 0.00 0.00 176.35 176.75 1pla n THR 73 N -2.83 0.00 -3.90 5.49 -2.24 -1.26 -4.20 114.28 105.34 1pla n THR 73 Ca 0.06 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.26 1pla n THR 73 Cb 0.55 0.50 -0.13 0.00 -2.10 0.00 0.00 70.33 69.14 1pla n THR 73 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1pla s GLU 74 N 0.00 1.74 -0.65 -0.78 2.56 -1.26 -4.98 118.70 115.33 1pla s GLU 74 Ca 0.08 -1.86 -0.37 0.00 0.00 0.00 0.00 54.97 52.83 1pla s GLU 74 Cb 0.10 -3.39 -0.18 0.00 2.00 0.00 0.00 34.13 32.66 1pla s GLU 74 CO -0.04 -1.01 2.36 1.63 -0.56 0.00 0.00 175.26 177.65 1pla n LYS 75 N 4.40 0.27 0.00 4.30 5.02 -1.26 -4.53 118.16 126.37 1pla n LYS 75 Ca 0.01 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1pla n LYS 75 Cb 0.42 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1pla n LYS 75 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pla n GLY 76 N 6.87 -0.90 3.10 0.72 0.00 -0.59 -4.95 105.19 109.43 1pla n GLY 76 Ca 0.55 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 1pla n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pla s THR 77 N -3.84 -0.02 -0.01 2.61 2.01 -1.26 -1.52 115.64 113.61 1pla s THR 77 Ca 0.00 0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.14 1pla s THR 77 Cb 0.00 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 1pla s THR 77 CO 0.00 0.02 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.39 1pla s TYR 78 N 0.58 2.27 -0.19 4.92 1.51 -1.00 -4.51 117.35 120.92 1pla s TYR 78 Ca -0.04 -0.42 -0.04 0.00 -1.01 0.00 0.00 57.07 55.56 1pla s TYR 78 Cb -0.05 -1.44 -0.02 0.00 -0.11 0.00 0.00 41.96 40.34 1pla s TYR 78 CO -0.03 -0.01 -0.03 0.15 -1.11 0.00 0.00 175.55 174.52 1pla s LYS 79 N -0.71 3.53 0.13 -0.62 -0.14 -1.06 -2.43 119.74 118.44 1pla s LYS 79 Ca 0.10 -0.57 0.03 0.00 -1.36 0.00 0.00 55.97 54.17 1pla s LYS 79 Cb -0.10 -3.00 -0.04 0.00 -1.68 0.00 0.00 37.83 33.01 1pla s LYS 79 CO -0.00 -0.01 -0.06 -0.59 -0.76 0.00 0.00 175.35 173.92 1pla s PHE 80 N 1.02 1.06 0.19 3.18 -0.71 0.77 -2.11 117.98 121.39 1pla s PHE 80 Ca 0.01 -0.89 -0.22 0.00 -1.04 0.00 0.00 56.93 54.79 1pla s PHE 80 Cb -0.15 -0.59 0.08 0.00 -1.21 0.00 0.00 43.02 41.15 1pla s PHE 80 CO 0.01 -0.09 1.04 1.52 -1.34 0.00 0.00 175.22 176.35 1pla s TYR 81 N -3.55 0.08 -0.22 3.49 1.13 -0.96 0.21 117.35 117.53 1pla s TYR 81 Ca 0.16 -0.48 -0.09 0.00 -1.41 0.00 0.00 57.07 55.25 1pla s TYR 81 Cb 0.05 0.70 -0.04 0.00 -1.10 0.00 0.00 41.96 41.57 1pla s TYR 81 CO -0.02 -0.93 0.11 0.00 -2.51 0.00 0.00 175.55 172.20 1pla h GLU 83 N 7.43 0.40 -0.08 0.00 5.08 -1.91 -1.85 114.58 123.64 1pla h GLU 83 Ca -0.37 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 1pla h GLU 83 Cb 1.17 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1pla h GLU 83 CO 0.65 0.63 -0.01 -1.00 -1.00 0.00 0.00 179.01 178.27 1pla h PRO 84 N 0.13 0.14 -0.83 2.33 0.14 -1.94 -2.91 132.00 129.07 1pla h PRO 84 Ca 0.06 -0.05 -0.01 0.00 0.14 0.00 0.00 66.00 66.13 1pla h PRO 84 Cb 0.47 -0.01 -0.01 0.00 0.14 0.00 0.00 31.00 31.59 1pla h PRO 84 CO 0.02 0.45 0.01 0.72 0.14 0.00 0.00 178.00 179.34 1pla n HIS 85 N -4.82 0.92 0.20 1.56 8.25 -1.24 -4.14 115.22 115.95 1pla n HIS 85 Ca -0.07 -0.35 0.03 0.00 -0.26 0.00 0.00 57.72 57.08 1pla n HIS 85 Cb 0.22 -0.29 0.16 0.00 1.12 0.00 0.00 29.99 31.19 1pla n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pla n ALA 86 N 0.24 1.26 0.36 -1.41 0.00 -0.70 -0.98 120.51 119.28 1pla n ALA 86 Ca 0.13 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1pla n ALA 86 Cb 0.68 -1.11 0.10 0.00 0.00 0.00 0.00 19.45 19.11 1pla n ALA 86 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1pla h GLY 87 N 0.96 0.00 0.99 0.00 0.00 -1.83 -3.30 103.07 99.88 1pla h GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pla h GLY 87 CO 0.00 0.00 -0.77 0.00 0.00 0.00 0.00 176.54 175.77 1pla n ALA 88 N -1.99 3.03 0.00 3.60 0.00 -0.15 -4.93 120.51 120.07 1pla n ALA 88 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1pla n ALA 88 Cb 0.49 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1pla n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 89 N 1.34 1.20 3.55 0.00 0.00 -1.19 -4.97 105.19 105.12 1pla n GLY 89 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1pla n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pla s MET 90 N -0.12 2.82 0.26 1.61 1.00 -1.19 -4.85 119.30 118.82 1pla s MET 90 Ca 0.00 0.20 0.11 0.00 0.00 0.00 0.00 55.69 56.00 1pla s MET 90 Cb 0.00 -4.45 -0.05 0.00 0.00 0.00 0.00 34.83 30.33 1pla s MET 90 CO 0.00 -2.62 -0.19 0.21 0.00 0.00 0.00 175.02 172.42 1pla s LYS 91 N 6.59 1.59 -0.04 2.03 2.20 -1.26 -2.58 119.74 128.28 1pla s LYS 91 Ca 0.58 -1.71 -0.06 0.00 -0.36 0.00 0.00 55.97 54.41 1pla s LYS 91 Cb -0.10 -1.64 0.01 0.00 -1.51 0.00 0.00 37.83 34.59 1pla s LYS 91 CO 0.15 0.30 0.15 0.20 -0.36 0.00 0.00 175.35 175.79 1pla s GLY 92 N -3.41 -0.06 -0.10 5.54 0.00 0.58 -4.33 107.32 105.54 1pla s GLY 92 Ca 0.28 0.23 -0.15 0.00 0.00 0.00 0.00 44.72 45.08 1pla s GLY 92 CO 0.13 0.14 0.37 1.85 0.00 0.00 0.00 173.10 175.60 1pla s GLU 93 N -0.44 0.55 -0.06 2.90 -6.30 -1.00 -0.16 118.70 114.19 1pla s GLU 93 Ca -0.05 0.29 -0.01 0.00 -2.50 0.00 0.00 54.97 52.70 1pla s GLU 93 Cb -0.03 0.26 0.03 0.00 0.00 0.00 0.00 34.13 34.38 1pla s GLU 93 CO 0.01 -0.11 0.00 0.54 0.02 0.00 0.00 175.26 175.72 1pla s VAL 94 N -0.35 0.30 -0.52 3.70 0.11 -1.02 -2.41 120.40 120.21 1pla s VAL 94 Ca -0.05 0.13 -0.15 0.00 -2.93 0.00 0.00 61.98 58.98 1pla s VAL 94 Cb -0.03 -0.45 0.12 0.00 -1.53 0.00 0.00 36.38 34.49 1pla s VAL 94 CO 0.02 0.23 0.47 -0.89 -3.33 0.00 0.00 175.10 171.60 1pla s THR 95 N 1.75 5.08 0.24 5.04 2.01 -0.95 -2.37 115.64 126.43 1pla s THR 95 Ca 0.01 -1.50 -0.30 0.00 0.31 0.00 0.00 61.69 60.21 1pla s THR 95 Cb -0.13 -4.24 -0.09 0.00 0.01 0.00 0.00 72.50 68.05 1pla s THR 95 CO -0.04 -0.83 0.95 -0.69 -0.69 0.00 0.00 174.62 173.32 1pla s VAL 96 N 1.57 4.07 -2.80 3.82 1.01 -0.57 -1.78 120.40 125.71 1pla s VAL 96 Ca 0.03 2.07 0.26 0.00 0.00 0.00 0.00 61.98 64.34 1pla s VAL 96 Cb -0.29 -4.32 0.34 0.00 0.00 0.00 0.00 36.38 32.11 1pla s VAL 96 CO 0.03 0.49 1.46 0.59 0.00 0.00 0.00 175.10 177.66