#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 -0.06 -0.11 0.00 2.02 -1.26 -2.54 118.70 116.75 1pla s GLU 2 Ca 0.00 0.34 0.01 0.00 0.02 0.00 0.00 54.97 55.35 1pla s GLU 2 Cb 0.00 -0.43 -0.02 0.00 0.10 0.00 0.00 34.13 33.78 1pla s GLU 2 CO 0.00 -0.29 -0.14 0.08 0.02 0.00 0.00 175.26 174.93 1pla s VAL 3 N 1.91 2.98 -0.38 2.63 1.01 -0.67 -4.55 120.40 123.33 1pla s VAL 3 Ca 0.01 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 1pla s VAL 3 Cb -0.12 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1pla s VAL 3 CO -0.03 0.54 0.27 -0.54 0.00 0.00 0.00 175.10 175.34 1pla s LYS 4 N 0.07 3.12 -0.55 2.72 1.02 0.76 0.10 119.74 126.98 1pla s LYS 4 Ca -0.06 -0.91 -0.28 0.00 0.02 0.00 0.00 55.97 54.75 1pla s LYS 4 Cb -0.15 -3.89 0.01 0.00 -0.52 0.00 0.00 37.83 33.28 1pla s LYS 4 CO 0.05 -0.65 1.45 -0.51 -0.92 0.00 0.00 175.35 174.77 1pla s LEU 5 N 1.68 3.40 0.00 3.17 1.43 0.67 -2.68 118.68 126.35 1pla s LEU 5 Ca 0.05 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1pla s LEU 5 Cb -0.18 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 42.98 1pla s LEU 5 CO 0.10 -1.74 0.00 0.61 0.23 0.00 0.00 176.35 175.55 1pla n GLY 6 N 5.28 3.10 3.91 -3.19 0.00 -1.06 -2.89 105.19 110.35 1pla n GLY 6 Ca 0.13 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.50 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 4.83 0.26 1.61 1.04 -0.77 -4.61 113.70 116.06 1pla s SER 7 Ca 0.00 0.68 -0.04 0.00 0.48 0.00 0.00 55.95 57.07 1pla s SER 7 Cb 0.00 -1.31 0.33 0.00 0.10 0.00 0.00 66.02 65.14 1pla s SER 7 CO 0.00 -1.65 1.86 0.44 0.98 0.00 0.00 173.24 174.88 1pla h ASP 8 N -0.75 0.96 0.00 7.02 5.19 -1.97 -3.40 116.42 123.47 1pla h ASP 8 Ca -0.45 -0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 55.85 1pla h ASP 8 Cb 1.31 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.57 1pla h ASP 8 CO 0.63 0.81 -0.01 -0.90 -3.12 0.00 0.00 179.24 176.65 1pla n ASP 9 N -4.32 -0.04 -0.02 6.45 5.68 -1.26 -4.95 116.55 118.09 1pla n ASP 9 Ca 0.07 -0.65 0.01 0.00 -0.50 0.00 0.00 54.79 53.72 1pla n ASP 9 Cb 0.14 0.01 -0.13 0.00 -1.14 0.00 0.00 41.12 40.00 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 -1.09 0.00 6.12 0.00 -1.26 -5.09 105.19 103.87 1pla n GLY 10 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 1.45 0.44 3.15 -0.02 0.00 -1.26 -5.02 105.19 103.93 1pla n GLY 11 Ca -0.15 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 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 4.15 0.08 0.99 1.43 -1.26 -1.84 118.68 122.23 1pla s LEU 12 Ca 0.00 -1.47 -0.13 0.00 -1.03 0.00 0.00 54.13 51.50 1pla s LEU 12 Cb 0.00 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1pla s LEU 12 CO 0.00 -0.31 0.31 0.68 0.23 0.00 0.00 176.35 177.26 1pla s VAL 13 N 1.20 0.09 -0.38 -1.59 -7.23 -1.26 -4.38 120.40 106.85 1pla s VAL 13 Ca -0.02 -0.76 -0.29 0.00 -1.81 0.00 0.00 61.98 59.10 1pla s VAL 13 Cb -0.20 -1.12 0.02 0.00 0.56 0.00 0.00 36.38 35.63 1pla s VAL 13 CO -0.02 -0.42 1.19 -0.36 -0.31 0.00 0.00 175.10 175.18 1pla s PHE 14 N -3.31 2.84 -0.31 2.82 0.40 -1.26 -2.56 117.98 116.59 1pla s PHE 14 Ca 0.00 0.90 -0.00 0.00 -0.60 0.00 0.00 56.93 57.23 1pla s PHE 14 Cb 0.02 -4.06 0.07 0.00 0.51 0.00 0.00 43.02 39.55 1pla s PHE 14 CO -0.08 -1.31 0.01 -1.12 0.70 0.00 0.00 175.22 173.42 1pla s SER 15 N 2.47 4.82 1.25 1.36 0.01 -1.09 -0.53 113.70 121.99 1pla s SER 15 Ca 0.51 -1.54 -0.19 0.00 1.31 0.00 0.00 55.95 56.04 1pla s SER 15 Cb -0.12 -1.68 0.31 0.00 0.21 0.00 0.00 66.02 64.74 1pla s SER 15 CO 0.25 -0.30 1.04 -2.16 0.41 0.00 0.00 173.24 172.47 1pla s PRO 16 N 1.15 -1.63 -0.23 12.44 0.05 -1.26 -0.17 135.00 145.35 1pla s PRO 16 Ca -0.02 0.17 -0.17 0.00 0.05 0.00 0.00 61.00 61.03 1pla s PRO 16 Cb -0.20 -1.53 -0.13 0.00 0.05 0.00 0.00 34.50 32.69 1pla s PRO 16 CO -0.03 -4.03 -0.12 0.43 0.05 0.00 0.00 177.00 173.30 1pla n SER 17 N -5.03 1.90 -4.00 6.66 7.64 0.31 -4.85 113.62 116.26 1pla n SER 17 Ca 0.11 0.40 -0.21 0.00 1.01 0.00 0.00 58.87 60.18 1pla n SER 17 Cb 0.59 -0.87 -0.16 0.00 -1.01 0.00 0.00 64.21 62.76 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 -6.91 1.24 -0.17 6.43 0.01 -1.26 -2.36 113.70 110.69 1pla s SER 18 Ca -0.32 -0.19 -0.21 0.00 1.31 0.00 0.00 55.95 56.54 1pla s SER 18 Cb 0.09 -0.36 0.05 0.00 0.21 0.00 0.00 66.02 66.02 1pla s SER 18 CO 0.50 0.06 0.56 0.72 0.41 0.00 0.00 173.24 175.48 1pla s PHE 19 N 0.24 -0.58 0.38 2.43 -0.71 -1.02 -5.01 117.98 113.71 1pla s PHE 19 Ca -0.04 1.34 -0.16 0.00 -1.04 0.00 0.00 56.93 57.04 1pla s PHE 19 Cb -0.09 0.23 -0.09 0.00 -1.21 0.00 0.00 43.02 41.86 1pla s PHE 19 CO 0.01 -0.35 0.81 0.95 -1.34 0.00 0.00 175.22 175.29 1pla s THR 20 N -0.06 4.63 0.10 -4.49 -4.23 -1.26 -2.21 115.64 108.11 1pla s THR 20 Ca -0.03 1.02 -0.06 0.00 -1.18 0.00 0.00 61.69 61.45 1pla s THR 20 Cb -0.04 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.15 1pla s THR 20 CO 0.02 -0.32 0.14 0.68 -0.54 0.00 0.00 174.62 174.61 1pla s VAL 21 N -2.15 0.14 0.34 2.29 -7.23 -0.54 -4.86 120.40 108.38 1pla s VAL 21 Ca 0.56 -1.46 -0.23 0.00 -1.81 0.00 0.00 61.98 59.04 1pla s VAL 21 Cb -0.10 -1.58 -0.10 0.00 0.56 0.00 0.00 36.38 35.17 1pla s VAL 21 CO 0.20 -0.63 0.90 0.00 -0.31 0.00 0.00 175.10 175.25 1pla s ALA 22 N -3.92 3.20 -0.67 1.32 0.00 -1.26 -1.19 121.76 119.24 1pla s ALA 22 Ca 0.10 0.39 -0.26 0.00 0.00 0.00 0.00 51.96 52.19 1pla s ALA 22 Cb 0.06 -3.08 -0.24 0.00 0.00 0.00 0.00 23.12 19.85 1pla s ALA 22 CO -0.07 0.20 1.87 0.00 0.00 0.00 0.00 175.76 177.76 1pla n ALA 23 N 0.15 1.37 0.00 0.00 0.00 -0.65 -1.77 120.51 119.60 1pla n ALA 23 Ca 0.03 -2.76 0.00 0.00 0.00 0.00 0.00 53.44 50.71 1pla n ALA 23 Cb 0.52 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.40 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 5.35 -0.04 3.92 0.00 0.00 -1.24 -4.89 105.19 108.28 1pla n GLY 24 Ca 0.46 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 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 3.49 -0.30 1.61 2.12 -0.73 -5.06 118.70 119.83 1pla s GLU 25 Ca 0.00 -0.36 -0.18 0.00 0.36 0.00 0.00 54.97 54.78 1pla s GLU 25 Cb 0.00 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.41 1pla s GLU 25 CO 0.00 0.55 0.53 0.15 -0.54 0.00 0.00 175.26 175.95 1pla s LYS 26 N -2.70 3.90 -0.41 4.30 1.02 -1.26 -4.41 119.74 120.18 1pla s LYS 26 Ca 0.37 0.16 -0.16 0.00 0.02 0.00 0.00 55.97 56.36 1pla s LYS 26 Cb -0.12 -3.71 0.02 0.00 -0.52 0.00 0.00 37.83 33.49 1pla s LYS 26 CO 0.27 -0.48 0.38 0.42 -0.92 0.00 0.00 175.35 175.02 1pla s ILE 27 N 2.39 5.15 -0.28 2.17 1.01 0.76 0.63 121.20 133.04 1pla s ILE 27 Ca 0.21 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 1pla s ILE 27 Cb -0.15 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.35 1pla s ILE 27 CO 0.11 -0.36 0.03 0.42 0.00 0.00 0.00 174.94 175.14 1pla s THR 28 N 1.96 3.55 -0.42 2.92 -4.23 -1.05 -0.42 115.64 117.96 1pla s THR 28 Ca 0.09 -0.86 -0.24 0.00 -1.18 0.00 0.00 61.69 59.51 1pla s THR 28 Cb -0.18 -2.84 0.02 0.00 1.34 0.00 0.00 72.50 70.84 1pla s THR 28 CO 0.12 0.10 0.83 -0.36 -0.54 0.00 0.00 174.62 174.77 1pla s PHE 29 N 1.43 3.01 -0.07 3.99 0.08 -0.53 -1.66 117.98 124.23 1pla s PHE 29 Ca 0.01 0.37 -0.01 0.00 0.12 0.00 0.00 56.93 57.42 1pla s PHE 29 Cb -0.17 -3.67 -0.03 0.00 -0.57 0.00 0.00 43.02 38.58 1pla s PHE 29 CO 0.00 -0.93 0.01 0.21 -0.10 0.00 0.00 175.22 174.41 1pla s LYS 30 N 3.37 2.98 -0.33 0.44 2.20 0.12 -2.23 119.74 126.29 1pla s LYS 30 Ca 0.33 -0.43 -0.27 0.00 -0.36 0.00 0.00 55.97 55.24 1pla s LYS 30 Cb -0.12 -2.80 0.01 0.00 -1.51 0.00 0.00 37.83 33.42 1pla s LYS 30 CO 0.22 0.69 0.98 -0.80 -0.36 0.00 0.00 175.35 176.08 1pla s ASN 31 N -1.04 6.81 -0.20 1.43 0.02 -1.02 -0.24 114.94 120.70 1pla s ASN 31 Ca 0.15 0.85 0.13 0.00 -1.02 0.00 0.00 52.86 52.97 1pla s ASN 31 Cb -0.11 -2.50 -0.23 0.00 0.02 0.00 0.00 41.25 38.43 1pla s ASN 31 CO 0.04 -0.83 0.06 -0.46 0.02 0.00 0.00 177.10 175.94 1pla n ASN 32 N 6.73 0.63 0.00 -1.22 6.94 -1.14 -3.20 115.26 124.00 1pla n ASN 32 Ca 0.09 0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.66 1pla n ASN 32 Cb 0.48 0.50 0.00 0.00 -2.36 0.00 0.00 39.78 38.39 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 -2.86 0.00 -2.11 -2.53 0.00 -1.24 -4.96 120.51 106.81 1pla n ALA 33 Ca -0.35 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.07 1pla n ALA 33 Cb 1.11 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.53 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 0.00 0.72 3.86 0.00 0.00 -1.24 -4.81 105.19 103.72 1pla n GLY 34 Ca 0.00 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1pla n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pla s PHE 35 N 0.00 3.53 0.23 1.61 -0.71 -1.26 -4.17 117.98 117.21 1pla s PHE 35 Ca 0.07 1.29 -0.30 0.00 -1.04 0.00 0.00 56.93 56.96 1pla s PHE 35 Cb 0.09 -2.77 -0.09 0.00 -1.21 0.00 0.00 43.02 39.04 1pla s PHE 35 CO -0.04 -0.81 1.02 -1.25 -1.34 0.00 0.00 175.22 172.80 1pla s PRO 36 N -5.17 4.73 0.57 1.99 0.04 -1.26 -5.07 135.00 130.82 1pla s PRO 36 Ca 0.56 1.63 0.06 0.00 0.04 0.00 0.00 61.00 63.29 1pla s PRO 36 Cb -0.11 -3.26 0.06 0.00 0.04 0.00 0.00 34.50 31.22 1pla s PRO 36 CO 0.54 0.31 0.50 -1.01 0.04 0.00 0.00 177.00 177.39 1pla s HIS 37 N -0.88 1.45 -0.16 0.56 3.76 -0.89 -4.93 115.29 114.21 1pla s HIS 37 Ca 0.44 -0.85 -0.22 0.00 -0.15 0.00 0.00 55.06 54.28 1pla s HIS 37 Cb -0.28 -1.96 0.06 0.00 1.11 0.00 0.00 32.58 31.50 1pla s HIS 37 CO 0.35 -0.69 0.57 1.21 -0.85 0.00 0.00 174.74 175.33 1pla s ASN 38 N -4.40 -0.56 -0.13 1.40 3.04 -1.26 -3.18 114.94 109.85 1pla s ASN 38 Ca 0.39 0.94 -0.01 0.00 0.04 0.00 0.00 52.86 54.23 1pla s ASN 38 Cb -0.03 0.95 0.03 0.00 -1.54 0.00 0.00 41.25 40.66 1pla s ASN 38 CO 0.25 -0.31 -0.06 -0.63 -3.04 0.00 0.00 177.10 173.31 1pla s ILE 39 N -0.20 0.96 -0.02 -5.21 1.09 -1.26 -3.82 121.20 112.74 1pla s ILE 39 Ca -0.04 -0.35 -0.08 0.00 -1.10 0.00 0.00 60.65 59.09 1pla s ILE 39 Cb -0.03 -1.05 0.01 0.00 -1.06 0.00 0.00 42.46 40.32 1pla s ILE 39 CO 0.03 0.27 0.17 -0.69 -0.10 0.00 0.00 174.94 174.62 1pla s VAL 40 N 1.72 0.06 -0.11 2.92 1.01 -1.07 -0.96 120.40 123.97 1pla s VAL 40 Ca 0.04 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 1pla s VAL 40 Cb -0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1pla s VAL 40 CO -0.08 -0.28 0.16 -0.36 0.00 0.00 0.00 175.10 174.54 1pla s PHE 41 N -1.04 3.61 -0.46 5.22 0.40 -1.26 -2.21 117.98 122.24 1pla s PHE 41 Ca -0.11 0.57 -0.28 0.00 -0.60 0.00 0.00 56.93 56.50 1pla s PHE 41 Cb -0.06 -1.97 0.01 0.00 0.51 0.00 0.00 43.02 41.51 1pla s PHE 41 CO 0.02 0.73 1.42 0.16 0.70 0.00 0.00 175.22 178.24 1pla s ASP 42 N -1.03 6.25 0.00 1.36 -4.77 -1.04 -4.83 116.67 112.62 1pla s ASP 42 Ca 0.16 0.65 0.00 0.00 -3.30 0.00 0.00 52.55 50.05 1pla s ASP 42 Cb -0.12 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 1pla s ASP 42 CO 0.05 -1.53 0.00 -0.62 0.70 0.00 0.00 175.17 173.76 1pla n GLU 43 N 8.27 0.00 -0.01 2.11 -0.58 -1.26 -2.72 120.64 126.46 1pla n GLU 43 Ca 0.15 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1pla n GLU 43 Cb 0.48 -0.99 -0.00 0.00 -0.57 0.00 0.00 31.44 30.36 1pla n GLU 43 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1pla h ASP 44 N 0.07 0.00 0.00 1.62 3.32 -1.98 -3.42 116.42 116.03 1pla h ASP 44 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pla h ASP 44 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1pla h ASP 44 CO 0.00 0.09 -0.51 -0.62 -1.72 0.00 0.00 179.24 176.48 1pla n GLU 45 N -2.47 1.09 -1.64 3.56 -0.58 -1.10 -4.96 120.64 114.54 1pla n GLU 45 Ca -0.00 -0.89 -0.41 0.00 -0.42 0.00 0.00 57.16 55.44 1pla n GLU 45 Cb 0.01 -1.48 0.02 0.00 -0.57 0.00 0.00 31.44 29.41 1pla n GLU 45 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1pla n VAL 46 N -0.18 2.60 -1.45 2.62 0.31 -1.17 -4.82 118.33 116.24 1pla n VAL 46 Ca 0.09 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.51 1pla n VAL 46 Cb 0.45 -1.28 0.01 0.00 -0.91 0.00 0.00 33.84 32.12 1pla n VAL 46 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1pla n PRO 47 N 0.01 0.54 -1.29 5.55 -0.02 -1.26 -4.80 135.00 133.73 1pla n PRO 47 Ca 0.09 0.20 -0.22 0.00 -2.02 0.00 0.00 63.50 61.55 1pla n PRO 47 Cb 0.40 -1.53 -0.10 0.00 -0.02 0.00 0.00 33.50 32.24 1pla n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pla n ALA 48 N -1.09 6.51 0.00 3.55 0.00 -1.26 -3.43 120.51 124.79 1pla n ALA 48 Ca 0.11 -2.60 0.00 0.00 0.00 0.00 0.00 53.44 50.95 1pla n ALA 48 Cb 0.42 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 1.79 0.00 3.40 0.00 0.00 -1.26 -5.07 105.19 104.05 1pla n GLY 49 Ca 0.49 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.25 5.09 0.25 1.61 1.01 -1.22 -5.03 120.40 121.85 1pla s VAL 50 Ca 0.00 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.76 1pla s VAL 50 Cb 0.00 -4.23 -0.15 0.00 0.00 0.00 0.00 36.38 31.99 1pla s VAL 50 CO 0.00 -0.73 0.80 0.59 0.00 0.00 0.00 175.10 175.76 1pla n ASN 51 N 5.59 0.18 -0.15 3.32 4.13 -1.26 -4.76 115.26 122.31 1pla n ASN 51 Ca -0.11 1.16 0.10 0.00 1.68 0.00 0.00 54.58 57.41 1pla n ASN 51 Cb 0.44 -1.14 -0.08 0.00 -1.54 0.00 0.00 39.78 37.46 1pla n ASN 51 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pla n ALA 52 N 0.15 4.23 0.16 5.41 0.00 -1.26 -4.22 120.51 124.98 1pla n ALA 52 Ca 0.13 -0.58 0.10 0.00 0.00 0.00 0.00 53.44 53.09 1pla n ALA 52 Cb 0.29 -0.73 0.08 0.00 0.00 0.00 0.00 19.45 19.09 1pla n ALA 52 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pla h GLU 53 N 0.75 0.00 0.05 0.00 3.07 -1.94 -2.60 114.58 113.91 1pla h GLU 53 Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.57 1pla h GLU 53 Cb 0.55 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.43 1pla h GLU 53 CO 0.00 0.08 -1.55 0.87 -1.40 0.00 0.00 179.01 177.01 1pla h LYS 54 N 0.00 0.11 0.00 2.33 1.79 -1.97 -3.35 116.57 115.48 1pla h LYS 54 Ca -0.01 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1pla h LYS 54 Cb 1.09 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1pla h LYS 54 CO 0.01 0.86 -0.91 -0.84 -1.08 0.00 0.00 179.45 177.50 1pla h ILE 55 N 0.03 0.00 -2.98 1.86 3.07 -1.73 -3.47 117.51 114.29 1pla h ILE 55 Ca -0.23 -0.98 -0.28 0.00 1.55 0.00 0.00 64.86 64.92 1pla h ILE 55 Cb 1.97 1.52 0.13 0.00 -0.27 0.00 0.00 36.82 40.17 1pla h ILE 55 CO 0.12 0.00 0.17 -1.20 -1.05 0.00 0.00 178.15 176.19 1pla n SER 56 N -2.69 -0.92 -3.34 2.16 7.64 -0.98 -4.97 113.62 110.51 1pla n SER 56 Ca 0.00 -1.12 -0.24 0.00 1.01 0.00 0.00 58.87 58.52 1pla n SER 56 Cb 0.54 -0.68 -0.09 0.00 -1.01 0.00 0.00 64.21 62.97 1pla n SER 56 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1pla s GLN 57 N -4.80 0.82 0.00 1.43 -0.21 -0.14 -4.97 119.66 111.80 1pla s GLN 57 Ca 0.49 -1.76 0.03 0.00 0.02 0.00 0.00 55.36 54.14 1pla s GLN 57 Cb -0.03 -1.20 0.12 0.00 1.00 0.00 0.00 33.01 32.90 1pla s GLN 57 CO 0.36 -1.33 1.07 -2.30 -2.12 0.00 0.00 175.29 170.97 1pla n PRO 58 N 3.20 0.00 -3.46 2.91 -0.02 -1.26 -4.38 135.00 131.99 1pla n PRO 58 Ca 0.24 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 1pla n PRO 58 Cb 0.46 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.34 1pla n PRO 58 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1pla s GLU 59 N -2.96 3.24 1.39 -0.52 2.12 -1.26 -5.07 118.70 115.65 1pla s GLU 59 Ca 0.02 -0.78 -0.22 0.00 0.36 0.00 0.00 54.97 54.35 1pla s GLU 59 Cb 0.02 -3.90 0.35 0.00 0.26 0.00 0.00 34.13 30.86 1pla s GLU 59 CO 0.05 -0.63 0.83 0.66 -0.54 0.00 0.00 175.26 175.63 1pla n TYR 60 N 5.22 -3.24 -3.73 5.30 4.01 -1.26 -4.93 117.16 118.53 1pla n TYR 60 Ca -0.11 -0.62 -0.13 0.00 -0.16 0.00 0.00 57.90 56.88 1pla n TYR 60 Cb 0.48 -1.40 -0.10 0.00 -0.31 0.00 0.00 39.34 38.01 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 -6.92 0.49 -0.04 7.72 0.05 -1.19 -5.03 118.68 113.76 1pla s LEU 61 Ca 0.64 0.68 0.05 0.00 0.05 0.00 0.00 54.13 55.55 1pla s LEU 61 Cb -0.14 1.40 0.08 0.00 -2.05 0.00 0.00 46.19 45.48 1pla s LEU 61 CO 0.56 -0.21 1.04 -0.46 -0.55 0.00 0.00 176.35 176.73 1pla n ASN 62 N 2.51 0.64 -4.79 1.48 0.23 -1.26 -2.09 115.26 111.99 1pla n ASN 62 Ca -0.15 -2.29 -0.39 0.00 -0.53 0.00 0.00 54.58 51.22 1pla n ASN 62 Cb 0.57 -0.26 -0.06 0.00 -2.08 0.00 0.00 39.78 37.95 1pla n ASN 62 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1pla s GLY 63 N -1.50 2.80 -0.43 4.83 0.00 -1.26 -4.89 107.32 106.87 1pla s GLY 63 Ca 0.09 0.21 -0.25 0.00 0.00 0.00 0.00 44.72 44.77 1pla s GLY 63 CO 0.01 0.72 0.89 0.00 0.00 0.00 0.00 173.10 174.73 1pla s ALA 64 N -0.99 3.30 0.00 3.20 0.00 -1.26 -3.30 121.76 122.71 1pla s ALA 64 Ca 0.33 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1pla s ALA 64 Cb -0.21 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1pla s ALA 64 CO 0.23 -1.89 0.00 0.41 0.00 0.00 0.00 175.76 174.51 1pla n GLY 65 N 4.78 1.83 3.76 0.00 0.00 -1.19 -5.05 105.19 109.31 1pla n GLY 65 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.89 3.28 0.21 1.61 2.12 -1.21 -4.52 118.70 119.30 1pla s GLU 66 Ca 0.00 2.03 -0.03 0.00 0.36 0.00 0.00 54.97 57.33 1pla s GLU 66 Cb 0.00 -2.24 -0.03 0.00 0.26 0.00 0.00 34.13 32.12 1pla s GLU 66 CO 0.00 -1.02 0.20 0.95 -0.54 0.00 0.00 175.26 174.85 1pla s THR 67 N -1.42 0.00 -0.02 -1.70 -4.23 -1.26 -2.45 115.64 104.57 1pla s THR 67 Ca 0.70 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 1pla s THR 67 Cb -0.35 -2.43 0.01 0.00 1.34 0.00 0.00 72.50 71.06 1pla s THR 67 CO 0.41 -0.01 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.96 1pla s TYR 68 N -4.13 0.68 0.16 3.99 6.14 -0.94 -4.95 117.35 118.30 1pla s TYR 68 Ca 0.35 -0.15 -0.01 0.00 0.64 0.00 0.00 57.07 57.90 1pla s TYR 68 Cb 0.05 -0.51 -0.04 0.00 0.42 0.00 0.00 41.96 41.88 1pla s TYR 68 CO 0.11 -0.08 0.34 -1.21 0.64 0.00 0.00 175.55 175.36 1pla s GLU 69 N 0.25 3.52 -0.17 4.97 8.01 -1.26 -1.45 118.70 132.58 1pla s GLU 69 Ca -0.03 -0.32 -0.11 0.00 0.01 0.00 0.00 54.97 54.52 1pla s GLU 69 Cb -0.07 -2.89 0.05 0.00 -4.31 0.00 0.00 34.13 26.91 1pla s GLU 69 CO -0.00 0.47 0.41 0.08 0.01 0.00 0.00 175.26 176.23 1pla s VAL 70 N -1.74 -0.02 -0.28 2.63 1.01 0.45 -4.95 120.40 117.50 1pla s VAL 70 Ca 0.38 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.43 1pla s VAL 70 Cb -0.12 -0.60 0.08 0.00 0.00 0.00 0.00 36.38 35.74 1pla s VAL 70 CO 0.28 0.02 0.03 -0.89 0.00 0.00 0.00 175.10 174.54 1pla s THR 71 N 0.99 1.41 0.42 3.92 2.01 -1.26 -0.17 115.64 122.96 1pla s THR 71 Ca -0.06 -1.49 -0.03 0.00 0.31 0.00 0.00 61.69 60.42 1pla s THR 71 Cb -0.06 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 1pla s THR 71 CO -0.08 -0.42 0.68 -0.76 -0.69 0.00 0.00 174.62 173.35 1pla s LEU 72 N 1.39 3.79 -0.34 4.42 1.43 -1.26 -5.01 118.68 123.09 1pla s LEU 72 Ca 0.04 0.72 0.15 0.00 -1.03 0.00 0.00 54.13 54.00 1pla s LEU 72 Cb -0.18 -3.63 0.44 0.00 0.03 0.00 0.00 46.19 42.85 1pla s LEU 72 CO -0.13 -0.46 1.16 0.35 0.23 0.00 0.00 176.35 177.49 1pla n THR 73 N -2.06 0.61 -3.43 5.49 -2.24 -1.26 -3.65 114.28 107.74 1pla n THR 73 Ca -0.02 -2.34 -0.16 0.00 -2.27 0.00 0.00 64.05 59.26 1pla n THR 73 Cb 0.56 0.88 -0.11 0.00 -2.10 0.00 0.00 70.33 69.56 1pla n THR 73 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1pla s GLU 74 N -1.81 0.27 -0.40 -0.78 2.02 -1.26 -5.03 118.70 111.71 1pla s GLU 74 Ca 0.24 0.12 -0.40 0.00 0.02 0.00 0.00 54.97 54.95 1pla s GLU 74 Cb 0.42 -0.85 -0.15 0.00 0.10 0.00 0.00 34.13 33.65 1pla s GLU 74 CO -0.03 -0.81 2.07 0.36 0.02 0.00 0.00 175.26 176.88 1pla n LYS 75 N 5.32 0.62 0.00 1.61 2.85 -1.26 -4.64 118.16 122.66 1pla n LYS 75 Ca -0.04 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 1pla n LYS 75 Cb 0.48 -1.99 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 1pla n LYS 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pla n GLY 76 N 6.43 -0.80 2.77 2.58 0.00 -0.90 -4.95 105.19 110.32 1pla n GLY 76 Ca 0.44 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.00 -0.13 -0.20 2.61 2.01 -1.26 -1.82 115.64 112.84 1pla s THR 77 Ca 0.00 0.33 -0.02 0.00 0.31 0.00 0.00 61.69 62.31 1pla s THR 77 Cb 0.00 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.33 1pla s THR 77 CO 0.00 0.14 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.64 1pla s TYR 78 N 1.81 2.88 -0.21 4.92 1.51 -1.08 -4.27 117.35 122.91 1pla s TYR 78 Ca -0.01 -1.24 -0.12 0.00 -1.01 0.00 0.00 57.07 54.69 1pla s TYR 78 Cb -0.12 -2.02 -0.05 0.00 -0.11 0.00 0.00 41.96 39.66 1pla s TYR 78 CO -0.04 -0.65 0.24 0.15 -1.11 0.00 0.00 175.55 174.14 1pla s LYS 79 N 1.37 4.15 0.18 -0.62 1.02 -1.26 -2.17 119.74 122.40 1pla s LYS 79 Ca 0.05 -0.07 0.07 0.00 0.02 0.00 0.00 55.97 56.04 1pla s LYS 79 Cb -0.14 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.63 1pla s LYS 79 CO -0.07 0.11 -0.14 -0.59 -0.92 0.00 0.00 175.35 173.74 1pla s PHE 80 N 0.88 1.60 0.25 3.18 -0.71 0.13 -2.49 117.98 120.83 1pla s PHE 80 Ca 0.12 -0.59 -0.21 0.00 -1.04 0.00 0.00 56.93 55.22 1pla s PHE 80 Cb -0.13 -0.77 0.06 0.00 -1.21 0.00 0.00 43.02 40.97 1pla s PHE 80 CO 0.04 0.28 0.93 1.52 -1.34 0.00 0.00 175.22 176.65 1pla s TYR 81 N -2.79 0.04 -0.23 3.49 1.13 -0.94 0.29 117.35 118.35 1pla s TYR 81 Ca 0.19 -0.51 -0.08 0.00 -1.41 0.00 0.00 57.07 55.26 1pla s TYR 81 Cb -0.01 0.73 -0.04 0.00 -1.10 0.00 0.00 41.96 41.54 1pla s TYR 81 CO 0.05 -1.13 0.08 0.00 -2.51 0.00 0.00 175.55 172.05 1pla h GLU 83 N 7.66 0.54 0.02 0.00 4.81 -1.91 -1.26 114.58 124.44 1pla h GLU 83 Ca -0.37 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1pla h GLU 83 Cb 1.18 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1pla h GLU 83 CO 0.62 0.69 -0.01 -1.35 -0.73 0.00 0.00 179.01 178.23 1pla h PRO 84 N 0.33 -0.03 -0.63 0.92 0.11 -1.94 -2.71 132.00 128.06 1pla h PRO 84 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1pla h PRO 84 Cb 0.46 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1pla h PRO 84 CO 0.02 0.24 0.00 0.72 -0.21 0.00 0.00 178.00 178.77 1pla n HIS 85 N -4.98 0.57 0.06 0.65 8.25 -1.24 -4.10 115.22 114.44 1pla n HIS 85 Ca -0.08 -0.22 0.01 0.00 -0.26 0.00 0.00 57.72 57.17 1pla n HIS 85 Cb 0.16 -0.15 0.04 0.00 1.12 0.00 0.00 29.99 31.16 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 0.22 1.11 0.12 -1.41 0.00 -0.48 -0.61 120.51 119.47 1pla n ALA 86 Ca 0.09 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.64 1pla n ALA 86 Cb 0.44 -1.03 0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 0.30 0.00 1.09 0.00 0.00 -1.82 -3.30 103.07 99.34 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 -0.59 0.00 0.00 0.00 0.00 176.54 175.95 1pla n ALA 88 N -2.17 3.17 -0.08 3.60 0.00 0.22 -4.93 120.51 120.31 1pla n ALA 88 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1pla n ALA 88 Cb 0.55 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 1.40 1.55 3.56 0.00 0.00 -1.18 -4.97 105.19 105.55 1pla n GLY 89 Ca 0.04 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1pla n GLY 89 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pla s MET 90 N -0.73 3.11 0.26 1.61 0.00 -1.21 -4.87 119.30 117.47 1pla s MET 90 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 55.69 55.92 1pla s MET 90 Cb 0.00 -4.20 -0.05 0.00 0.00 0.00 0.00 34.83 30.57 1pla s MET 90 CO 0.00 -2.20 -0.11 -1.59 0.00 0.00 0.00 175.02 171.13 1pla s LYS 91 N 5.92 1.51 -0.01 4.11 -2.85 -1.26 -2.69 119.74 124.47 1pla s LYS 91 Ca 0.47 -1.73 -0.10 0.00 -1.00 0.00 0.00 55.97 53.61 1pla s LYS 91 Cb -0.10 -1.25 0.01 0.00 -2.06 0.00 0.00 37.83 34.44 1pla s LYS 91 CO 0.19 0.13 0.21 0.20 0.10 0.00 0.00 175.35 176.18 1pla s GLY 92 N -3.42 -0.04 -0.12 0.59 0.00 0.84 -4.26 107.32 100.91 1pla s GLY 92 Ca 0.27 0.07 -0.23 0.00 0.00 0.00 0.00 44.72 44.83 1pla s GLY 92 CO 0.11 -0.10 0.57 1.85 0.00 0.00 0.00 173.10 175.53 1pla s GLU 93 N -1.35 0.82 -0.10 2.90 2.12 -0.99 0.21 118.70 122.31 1pla s GLU 93 Ca -0.14 0.43 -0.02 0.00 0.36 0.00 0.00 54.97 55.60 1pla s GLU 93 Cb -0.07 0.39 0.04 0.00 0.26 0.00 0.00 34.13 34.75 1pla s GLU 93 CO 0.03 -0.19 0.02 0.54 -0.54 0.00 0.00 175.26 175.11 1pla s VAL 94 N -0.54 0.34 -0.60 3.70 0.11 -0.92 -2.44 120.40 120.06 1pla s VAL 94 Ca -0.07 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.79 1pla s VAL 94 Cb -0.03 -0.60 0.10 0.00 -1.53 0.00 0.00 36.38 34.32 1pla s VAL 94 CO 0.05 0.13 0.74 -0.89 -3.33 0.00 0.00 175.10 171.80 1pla s THR 95 N 1.98 4.75 0.37 5.04 2.01 -0.94 -2.64 115.64 126.20 1pla s THR 95 Ca 0.04 -0.87 -0.24 0.00 0.31 0.00 0.00 61.69 60.93 1pla s THR 95 Cb -0.13 -4.51 -0.10 0.00 0.01 0.00 0.00 72.50 67.77 1pla s THR 95 CO -0.06 -1.15 0.96 -0.69 -0.69 0.00 0.00 174.62 172.99 1pla s VAL 96 N 2.89 4.19 0.00 3.82 1.01 -0.76 -1.47 120.40 130.08 1pla s VAL 96 Ca 0.13 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.75 1pla s VAL 96 Cb -0.23 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1pla s VAL 96 CO 0.07 -0.03 0.00 -3.20 0.00 0.00 0.00 175.10 171.94