#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 3.08 -0.26 0.00 2.02 -1.26 -1.83 118.70 120.45 1pla s GLU 2 Ca 0.00 -0.80 -0.02 0.00 0.02 0.00 0.00 54.97 54.17 1pla s GLU 2 Cb 0.00 -2.60 0.03 0.00 0.10 0.00 0.00 34.13 31.67 1pla s GLU 2 CO 0.00 -0.13 -0.04 0.08 0.02 0.00 0.00 175.26 175.19 1pla s VAL 3 N 1.12 2.93 -0.32 2.63 1.01 -0.79 -4.28 120.40 122.71 1pla s VAL 3 Ca 0.01 -1.11 -0.22 0.00 0.00 0.00 0.00 61.98 60.66 1pla s VAL 3 Cb -0.14 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 1pla s VAL 3 CO -0.07 0.11 0.71 -0.54 0.00 0.00 0.00 175.10 175.31 1pla s LYS 4 N 1.31 3.89 -0.57 2.72 1.02 0.16 0.24 119.74 128.51 1pla s LYS 4 Ca -0.01 0.39 -0.28 0.00 0.02 0.00 0.00 55.97 56.09 1pla s LYS 4 Cb -0.17 -3.74 0.02 0.00 -0.52 0.00 0.00 37.83 33.42 1pla s LYS 4 CO -0.03 -0.66 1.28 -0.51 -0.92 0.00 0.00 175.35 174.51 1pla s LEU 5 N 2.80 3.43 0.00 3.17 1.43 0.74 -2.66 118.68 127.59 1pla s LEU 5 Ca 0.29 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1pla s LEU 5 Cb -0.14 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.95 1pla s LEU 5 CO 0.13 -1.56 0.00 0.61 0.23 0.00 0.00 176.35 175.75 1pla n GLY 6 N 5.13 1.72 3.73 -3.19 0.00 -1.06 -2.05 105.19 109.47 1pla n GLY 6 Ca 0.10 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 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 3.36 0.00 1.61 1.04 0.90 -4.19 113.70 116.43 1pla s SER 7 Ca 0.00 1.29 0.26 0.00 0.48 0.00 0.00 55.95 57.97 1pla s SER 7 Cb 0.00 -1.96 0.60 0.00 0.10 0.00 0.00 66.02 64.76 1pla s SER 7 CO 0.00 -2.68 1.47 0.47 0.98 0.00 0.00 173.24 173.48 1pla n ASP 8 N -3.89 0.94 -0.28 7.02 9.92 -1.26 -3.71 116.55 125.28 1pla n ASP 8 Ca 0.06 -0.75 0.12 0.00 -0.53 0.00 0.00 54.79 53.69 1pla n ASP 8 Cb 0.57 0.22 0.22 0.00 -0.64 0.00 0.00 41.12 41.49 1pla n ASP 8 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1pla n ASP 9 N -0.88 1.27 0.00 -2.24 5.75 -1.26 -4.96 116.55 114.23 1pla n ASP 9 Ca 0.10 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.85 1pla n ASP 9 Cb 0.35 0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 1pla n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pla n GLY 10 N 1.39 0.76 3.61 6.12 0.00 -1.24 -5.15 105.19 110.68 1pla n GLY 10 Ca 0.10 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 1pla n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pla s GLY 11 N -0.78 -0.14 -0.53 -0.02 0.00 -1.26 -4.98 107.32 99.62 1pla s GLY 11 Ca 0.00 2.50 -0.16 0.00 0.00 0.00 0.00 44.72 47.05 1pla s GLY 11 CO 0.00 1.46 0.49 1.08 0.00 0.00 0.00 173.10 176.13 1pla s LEU 12 N -0.44 6.08 0.08 0.66 1.43 -1.26 -0.07 118.68 125.16 1pla s LEU 12 Ca 0.02 -1.71 -0.14 0.00 -1.03 0.00 0.00 54.13 51.27 1pla s LEU 12 Cb -0.03 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1pla s LEU 12 CO -0.04 -0.84 0.33 0.68 0.23 0.00 0.00 176.35 176.71 1pla s VAL 13 N 1.65 0.09 -0.46 -1.59 -7.23 -1.26 -4.46 120.40 107.14 1pla s VAL 13 Ca 0.04 -0.71 -0.29 0.00 -1.81 0.00 0.00 61.98 59.21 1pla s VAL 13 Cb -0.29 -1.09 0.02 0.00 0.56 0.00 0.00 36.38 35.59 1pla s VAL 13 CO 0.04 -0.39 1.22 -0.36 -0.31 0.00 0.00 175.10 175.29 1pla s PHE 14 N -3.18 2.69 -0.30 2.82 0.08 -1.26 -2.57 117.98 116.26 1pla s PHE 14 Ca -0.01 0.70 -0.01 0.00 0.12 0.00 0.00 56.93 57.73 1pla s PHE 14 Cb 0.01 -4.41 0.06 0.00 -0.57 0.00 0.00 43.02 38.11 1pla s PHE 14 CO -0.07 -1.49 -0.01 -1.12 -0.10 0.00 0.00 175.22 172.43 1pla s SER 15 N 2.91 4.84 1.32 1.36 0.01 -1.09 -0.90 113.70 122.14 1pla s SER 15 Ca 0.52 -1.35 -0.21 0.00 1.31 0.00 0.00 55.95 56.21 1pla s SER 15 Cb -0.09 -1.69 0.33 0.00 0.21 0.00 0.00 66.02 64.78 1pla s SER 15 CO 0.32 -0.27 1.03 -2.84 0.41 0.00 0.00 173.24 171.89 1pla s PRO 16 N 1.21 -2.12 -0.16 12.44 0.02 -1.26 0.37 135.00 145.51 1pla s PRO 16 Ca -0.05 -0.00 -0.14 0.00 0.02 0.00 0.00 61.00 60.83 1pla s PRO 16 Cb -0.20 -1.49 -0.05 0.00 0.02 0.00 0.00 34.50 32.79 1pla s PRO 16 CO -0.02 -4.32 -0.26 0.45 -0.33 0.00 0.00 177.00 172.52 1pla n SER 17 N -5.20 1.79 -4.21 2.53 2.88 -0.08 -4.86 113.62 106.47 1pla n SER 17 Ca 0.13 0.45 -0.26 0.00 -1.33 0.00 0.00 58.87 57.86 1pla n SER 17 Cb 0.60 -0.78 -0.15 0.00 -0.75 0.00 0.00 64.21 63.12 1pla n SER 17 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pla s SER 18 N -5.74 2.34 -0.12 -3.46 0.15 -1.26 -2.54 113.70 103.06 1pla s SER 18 Ca -0.22 -0.37 -0.30 0.00 0.70 0.00 0.00 55.95 55.76 1pla s SER 18 Cb 0.03 -0.26 0.10 0.00 -1.71 0.00 0.00 66.02 64.19 1pla s SER 18 CO 0.32 0.24 0.87 0.72 1.20 0.00 0.00 173.24 176.59 1pla s PHE 19 N -0.49 -0.49 0.49 3.44 -0.71 -1.03 -5.00 117.98 114.20 1pla s PHE 19 Ca 0.08 0.86 -0.05 0.00 -1.04 0.00 0.00 56.93 56.77 1pla s PHE 19 Cb -0.08 0.43 -0.03 0.00 -1.21 0.00 0.00 43.02 42.13 1pla s PHE 19 CO -0.01 -0.44 0.80 0.95 -1.34 0.00 0.00 175.22 175.18 1pla s THR 20 N -1.09 4.79 0.17 -4.49 -4.23 -1.26 -1.98 115.64 107.56 1pla s THR 20 Ca -0.05 0.20 -0.10 0.00 -1.18 0.00 0.00 61.69 60.55 1pla s THR 20 Cb -0.00 -3.83 -0.00 0.00 1.34 0.00 0.00 72.50 70.00 1pla s THR 20 CO 0.05 -0.82 0.33 0.68 -0.54 0.00 0.00 174.62 174.31 1pla s VAL 21 N -2.78 0.05 0.16 2.29 -7.23 -0.44 -4.83 120.40 107.63 1pla s VAL 21 Ca 0.48 -1.31 -0.19 0.00 -1.81 0.00 0.00 61.98 59.15 1pla s VAL 21 Cb -0.10 -1.84 -0.08 0.00 0.56 0.00 0.00 36.38 34.92 1pla s VAL 21 CO 0.45 -0.25 0.66 0.00 -0.31 0.00 0.00 175.10 175.65 1pla s ALA 22 N -3.96 3.50 -0.84 1.32 0.00 -1.26 -1.32 121.76 119.19 1pla s ALA 22 Ca 0.17 0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.95 1pla s ALA 22 Cb 0.02 -2.73 -0.25 0.00 0.00 0.00 0.00 23.12 20.16 1pla s ALA 22 CO 0.00 0.37 1.97 0.00 0.00 0.00 0.00 175.76 178.10 1pla n ALA 23 N 1.10 0.68 0.00 0.00 0.00 -1.26 -1.12 120.51 119.90 1pla n ALA 23 Ca -0.05 -2.48 0.00 0.00 0.00 0.00 0.00 53.44 50.90 1pla n ALA 23 Cb 0.51 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 16.49 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 5.76 -0.11 3.85 0.00 0.00 -1.23 -4.92 105.19 108.54 1pla n GLY 24 Ca 0.43 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 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 3.65 -0.26 1.61 2.12 -0.28 -5.05 118.70 120.49 1pla s GLU 25 Ca 0.00 -0.01 -0.29 0.00 0.36 0.00 0.00 54.97 55.03 1pla s GLU 25 Cb 0.00 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 31.17 1pla s GLU 25 CO 0.00 0.69 1.05 0.15 -0.54 0.00 0.00 175.26 176.61 1pla s LYS 26 N -0.84 4.19 -0.28 4.30 1.02 -1.26 -4.49 119.74 122.38 1pla s LYS 26 Ca 0.16 1.24 -0.11 0.00 0.02 0.00 0.00 55.97 57.29 1pla s LYS 26 Cb -0.13 -3.68 -0.05 0.00 -0.52 0.00 0.00 37.83 33.46 1pla s LYS 26 CO 0.05 -0.73 0.18 0.42 -0.92 0.00 0.00 175.35 174.36 1pla s ILE 27 N 3.36 5.24 -0.22 2.17 1.01 0.98 -1.94 121.20 131.80 1pla s ILE 27 Ca 0.44 0.15 -0.02 0.00 0.00 0.00 0.00 60.65 61.22 1pla s ILE 27 Cb -0.14 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.85 1pla s ILE 27 CO 0.10 0.26 -0.09 0.42 0.00 0.00 0.00 174.94 175.63 1pla s THR 28 N 1.72 2.90 -0.37 2.92 -4.23 -0.76 0.40 115.64 118.21 1pla s THR 28 Ca 0.07 -0.77 -0.25 0.00 -1.18 0.00 0.00 61.69 59.55 1pla s THR 28 Cb -0.16 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.35 1pla s THR 28 CO 0.10 0.38 0.90 -0.36 -0.54 0.00 0.00 174.62 175.10 1pla s PHE 29 N 1.38 3.08 -0.16 3.99 0.08 0.10 -1.88 117.98 124.57 1pla s PHE 29 Ca 0.04 0.71 -0.06 0.00 0.12 0.00 0.00 56.93 57.74 1pla s PHE 29 Cb -0.15 -3.62 -0.04 0.00 -0.57 0.00 0.00 43.02 38.65 1pla s PHE 29 CO -0.06 -0.82 0.06 0.15 -0.10 0.00 0.00 175.22 174.45 1pla s LYS 30 N 3.42 3.78 -0.44 0.44 1.02 0.14 -1.91 119.74 126.18 1pla s LYS 30 Ca 0.37 -0.34 -0.25 0.00 0.02 0.00 0.00 55.97 55.77 1pla s LYS 30 Cb -0.12 -3.14 0.02 0.00 -0.52 0.00 0.00 37.83 34.07 1pla s LYS 30 CO 0.19 0.38 0.92 1.21 -0.92 0.00 0.00 175.35 177.13 1pla s ASN 31 N 0.05 6.53 -0.13 2.83 2.47 -1.13 -0.19 114.94 125.37 1pla s ASN 31 Ca 0.05 0.20 0.12 0.00 0.42 0.00 0.00 52.86 53.65 1pla s ASN 31 Cb -0.12 -2.45 -0.17 0.00 -1.45 0.00 0.00 41.25 37.06 1pla s ASN 31 CO 0.01 -1.01 0.04 -3.20 -3.72 0.00 0.00 177.10 169.22 1pla n ASN 32 N 7.09 1.69 -3.63 -4.21 5.15 -1.16 -3.52 115.26 116.67 1pla n ASN 32 Ca 0.06 -0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 54.02 1pla n ASN 32 Cb 0.48 0.81 -0.02 0.00 -0.53 0.00 0.00 39.78 40.53 1pla n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pla s ALA 33 N -2.33 -2.21 -0.24 5.20 0.00 -0.87 -5.00 121.76 116.32 1pla s ALA 33 Ca -0.07 1.75 -0.01 0.00 0.00 0.00 0.00 51.96 53.62 1pla s ALA 33 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 1pla s ALA 33 CO 0.55 -0.61 0.21 0.41 0.00 0.00 0.00 175.76 176.31 1pla n GLY 34 N -0.08 0.43 3.98 0.00 0.00 -1.26 -3.77 105.19 104.49 1pla n GLY 34 Ca 0.03 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 1pla n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pla s PHE 35 N -3.09 3.13 0.22 1.61 0.08 -1.26 -4.32 117.98 114.36 1pla s PHE 35 Ca 0.09 -0.05 -0.30 0.00 0.12 0.00 0.00 56.93 56.78 1pla s PHE 35 Cb -0.01 -2.15 -0.08 0.00 -0.57 0.00 0.00 43.02 40.21 1pla s PHE 35 CO 0.16 -0.18 1.00 -1.25 -0.10 0.00 0.00 175.22 174.85 1pla s PRO 36 N -4.34 4.74 0.54 0.24 0.04 -1.26 -5.06 135.00 129.91 1pla s PRO 36 Ca 0.47 1.59 0.08 0.00 0.04 0.00 0.00 61.00 63.18 1pla s PRO 36 Cb -0.10 -3.28 0.06 0.00 0.04 0.00 0.00 34.50 31.23 1pla s PRO 36 CO 0.34 0.33 0.65 -1.01 0.04 0.00 0.00 177.00 177.36 1pla s HIS 37 N -0.84 1.65 -0.05 0.56 3.76 -1.04 -4.76 115.29 114.58 1pla s HIS 37 Ca 0.44 -0.71 -0.29 0.00 -0.15 0.00 0.00 55.06 54.35 1pla s HIS 37 Cb -0.27 -2.15 0.10 0.00 1.11 0.00 0.00 32.58 31.37 1pla s HIS 37 CO 0.34 -0.87 0.86 1.21 -0.85 0.00 0.00 174.74 175.43 1pla s ASN 38 N -4.51 -0.44 -0.11 1.40 2.47 -1.26 -3.07 114.94 109.40 1pla s ASN 38 Ca 0.54 0.28 -0.03 0.00 0.42 0.00 0.00 52.86 54.07 1pla s ASN 38 Cb -0.05 0.41 0.05 0.00 -1.45 0.00 0.00 41.25 40.20 1pla s ASN 38 CO 0.33 -0.55 0.07 -0.63 -3.72 0.00 0.00 177.10 172.60 1pla s ILE 39 N -2.08 -0.02 0.09 -5.21 1.09 -1.25 -3.88 121.20 109.94 1pla s ILE 39 Ca -0.01 0.06 0.05 0.00 -1.10 0.00 0.00 60.65 59.66 1pla s ILE 39 Cb -0.01 -0.44 -0.03 0.00 -1.06 0.00 0.00 42.46 40.92 1pla s ILE 39 CO -0.02 -0.05 -0.14 -0.69 -0.10 0.00 0.00 174.94 173.94 1pla s VAL 40 N 2.12 1.17 -0.09 2.92 1.01 -0.65 0.13 120.40 127.01 1pla s VAL 40 Ca 0.03 -1.49 -0.04 0.00 0.00 0.00 0.00 61.98 60.48 1pla s VAL 40 Cb -0.14 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1pla s VAL 40 CO -0.06 -0.33 0.09 -0.36 0.00 0.00 0.00 175.10 174.44 1pla s PHE 41 N -1.71 3.41 -0.46 5.22 0.40 -1.26 -1.63 117.98 121.95 1pla s PHE 41 Ca 0.03 0.36 -0.29 0.00 -0.60 0.00 0.00 56.93 56.43 1pla s PHE 41 Cb -0.07 -1.85 0.02 0.00 0.51 0.00 0.00 43.02 41.62 1pla s PHE 41 CO 0.02 0.62 1.23 0.34 0.70 0.00 0.00 175.22 178.13 1pla s ASP 42 N -1.13 6.53 0.00 1.36 -1.08 -0.67 -4.89 116.67 116.80 1pla s ASP 42 Ca 0.16 0.58 -0.03 0.00 -0.52 0.00 0.00 52.55 52.74 1pla s ASP 42 Cb -0.12 -2.55 -0.13 0.00 -1.46 0.00 0.00 42.92 38.66 1pla s ASP 42 CO 0.06 -1.32 2.25 -0.62 0.52 0.00 0.00 175.17 176.05 1pla n GLU 43 N 7.94 1.15 0.00 4.34 4.71 -1.26 -2.90 120.64 134.63 1pla n GLU 43 Ca 0.14 -0.49 0.00 0.00 -0.01 0.00 0.00 57.16 56.80 1pla n GLU 43 Cb 0.49 -1.65 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 1pla n GLU 43 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1pla n ASP 44 N 2.39 0.03 0.00 1.62 8.00 -1.26 -4.87 116.55 122.46 1pla n ASP 44 Ca 0.21 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.27 1pla n ASP 44 Cb 0.54 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 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 -0.04 0.00 -2.78 -1.24 -0.58 -1.14 -5.09 120.64 109.77 1pla n GLU 45 Ca 0.00 -0.27 -0.33 0.00 -0.42 0.00 0.00 57.16 56.15 1pla n GLU 45 Cb 0.10 -0.37 -0.06 0.00 -0.57 0.00 0.00 31.44 30.53 1pla n GLU 45 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1pla s VAL 46 N 0.00 4.44 0.88 2.62 1.01 -1.25 -4.74 120.40 123.37 1pla s VAL 46 Ca 0.00 1.39 -0.14 0.00 0.00 0.00 0.00 61.98 63.24 1pla s VAL 46 Cb 0.00 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1pla s VAL 46 CO 0.00 -0.37 0.51 -2.65 0.00 0.00 0.00 175.10 172.59 1pla n PRO 47 N -0.78 -0.12 -1.34 2.72 -0.01 -1.26 -4.83 135.00 129.38 1pla n PRO 47 Ca 0.07 0.01 -0.23 0.00 -0.01 0.00 0.00 63.50 63.34 1pla n PRO 47 Cb 0.54 -1.91 -0.06 0.00 -0.01 0.00 0.00 33.50 32.06 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 -3.30 6.26 0.00 3.55 0.00 -1.26 -3.76 120.51 122.01 1pla n ALA 48 Ca 0.08 -2.68 0.00 0.00 0.00 0.00 0.00 53.44 50.85 1pla n ALA 48 Cb 0.52 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 1.06 0.06 3.35 0.00 0.00 -1.26 -5.04 105.19 103.37 1pla n GLY 49 Ca 0.45 -0.03 -0.46 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.00 5.18 0.50 1.61 1.01 -1.25 -5.04 120.40 121.42 1pla s VAL 50 Ca 0.00 -1.70 -0.20 0.00 0.00 0.00 0.00 61.98 60.08 1pla s VAL 50 Cb 0.00 -4.48 -0.12 0.00 0.00 0.00 0.00 36.38 31.79 1pla s VAL 50 CO 0.00 -1.07 0.40 0.59 0.00 0.00 0.00 175.10 175.01 1pla n ASN 51 N 5.27 -1.53 -0.04 3.32 4.13 -1.26 -4.76 115.26 120.39 1pla n ASN 51 Ca 0.01 0.79 -0.13 0.00 1.68 0.00 0.00 54.58 56.93 1pla n ASN 51 Cb 0.44 -1.08 -0.14 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 -1.33 1.32 0.30 5.41 0.00 -1.26 -3.99 120.51 120.96 1pla n ALA 52 Ca 0.11 -0.85 0.16 0.00 0.00 0.00 0.00 53.44 52.86 1pla n ALA 52 Cb 0.44 -0.62 0.76 0.00 0.00 0.00 0.00 19.45 20.04 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 0.02 0.00 0.05 0.00 5.08 -1.93 0.22 114.58 118.02 1pla h GLU 53 Ca -0.40 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.71 1pla h GLU 53 Cb 2.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.30 1pla h GLU 53 CO 0.06 0.00 -1.07 -0.22 -1.00 0.00 0.00 179.01 176.78 1pla h LYS 54 N 0.00 0.38 0.03 2.33 1.63 -1.95 -3.35 116.57 115.64 1pla h LYS 54 Ca 0.00 -0.49 -0.36 0.00 -0.85 0.00 0.00 60.65 58.96 1pla h LYS 54 Cb 0.26 0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 31.99 1pla h LYS 54 CO 0.00 1.17 -2.18 0.44 -3.45 0.00 0.00 179.45 175.43 1pla n ILE 55 N -3.68 1.56 -0.99 2.00 -5.35 -0.93 -4.97 119.36 107.00 1pla n ILE 55 Ca -0.08 -0.72 -0.36 0.00 -0.27 0.00 0.00 62.75 61.33 1pla n ILE 55 Cb 0.91 -1.15 0.06 0.00 -1.74 0.00 0.00 39.64 37.72 1pla n ILE 55 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1pla n SER 56 N -3.13 -4.69 -3.24 7.28 7.64 0.74 -4.95 113.62 113.26 1pla n SER 56 Ca -0.33 0.27 -0.25 0.00 1.01 0.00 0.00 58.87 59.58 1pla n SER 56 Cb 1.06 -0.89 -0.07 0.00 -1.01 0.00 0.00 64.21 63.29 1pla n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pla n GLN 57 N 1.28 0.83 0.00 1.43 6.02 0.12 -4.92 117.38 122.14 1pla n GLN 57 Ca 0.01 -3.36 0.01 0.00 -0.01 0.00 0.00 57.00 53.65 1pla n GLN 57 Cb 0.54 -1.37 0.05 0.00 1.02 0.00 0.00 30.24 30.49 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 1.52 0.03 -2.78 -1.09 -0.02 -1.26 -3.81 135.00 127.58 1pla n PRO 58 Ca 0.23 0.27 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 1pla n PRO 58 Cb 0.51 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.46 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 -2.57 3.82 0.93 -0.52 0.41 -1.26 -5.02 118.70 114.49 1pla s GLU 59 Ca 0.02 0.57 -0.12 0.00 -0.41 0.00 0.00 54.97 55.03 1pla s GLU 59 Cb 0.01 -3.82 0.15 0.00 -1.78 0.00 0.00 34.13 28.70 1pla s GLU 59 CO 0.03 -1.00 1.09 0.71 -0.49 0.00 0.00 175.26 175.60 1pla s TYR 60 N 3.57 2.21 -0.03 1.61 2.02 -1.26 -4.85 117.35 120.63 1pla s TYR 60 Ca 0.39 1.18 -0.01 0.00 -0.37 0.00 0.00 57.07 58.26 1pla s TYR 60 Cb -0.11 -3.19 0.03 0.00 -0.40 0.00 0.00 41.96 38.28 1pla s TYR 60 CO 0.20 -2.59 0.05 -0.48 -1.57 0.00 0.00 175.55 171.15 1pla s LEU 61 N -6.33 0.65 0.00 -1.29 2.34 -1.18 -4.98 118.68 107.90 1pla s LEU 61 Ca 0.64 0.07 0.00 0.00 0.06 0.00 0.00 54.13 54.90 1pla s LEU 61 Cb -0.18 -0.08 0.00 0.00 -0.56 0.00 0.00 46.19 45.36 1pla s LEU 61 CO 0.57 -0.18 0.00 -0.46 -1.06 0.00 0.00 176.35 175.22 1pla n ASN 62 N 4.67 0.00 -3.24 1.48 0.23 -1.26 -2.50 115.26 114.64 1pla n ASN 62 Ca -0.17 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.56 1pla n ASN 62 Cb 0.50 -0.21 -0.00 0.00 -2.08 0.00 0.00 39.78 37.98 1pla n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pla n GLY 63 N 2.37 -1.99 3.83 4.83 0.00 -1.26 -4.81 105.19 108.17 1pla n GLY 63 Ca 0.00 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1pla n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pla s ALA 64 N -1.21 3.12 0.00 4.61 0.00 -1.26 -3.84 121.76 123.18 1pla s ALA 64 Ca 0.45 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1pla s ALA 64 Cb -0.50 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1pla s ALA 64 CO 0.47 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.69 1pla n GLY 65 N -0.90 1.05 3.66 0.00 0.00 -1.23 -5.03 105.19 102.74 1pla n GLY 65 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1pla n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pla s GLU 66 N -0.76 4.22 0.20 1.61 2.02 -1.25 -4.81 118.70 119.94 1pla s GLU 66 Ca 0.00 1.69 0.07 0.00 0.02 0.00 0.00 54.97 56.75 1pla s GLU 66 Cb 0.00 -3.78 -0.05 0.00 0.10 0.00 0.00 34.13 30.40 1pla s GLU 66 CO 0.00 -0.72 -0.12 0.95 0.02 0.00 0.00 175.26 175.39 1pla s THR 67 N 3.55 1.60 0.00 3.63 -4.23 -1.26 -2.85 115.64 116.08 1pla s THR 67 Ca 0.56 -2.17 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 1pla s THR 67 Cb -0.22 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 1pla s THR 67 CO 0.16 -0.58 -0.05 -0.47 -0.54 0.00 0.00 174.62 173.14 1pla s TYR 68 N -3.06 0.44 0.06 3.99 6.14 -0.80 -4.95 117.35 119.17 1pla s TYR 68 Ca 0.23 -0.14 0.01 0.00 0.64 0.00 0.00 57.07 57.80 1pla s TYR 68 Cb 0.01 -0.28 -0.04 0.00 0.42 0.00 0.00 41.96 42.07 1pla s TYR 68 CO 0.06 -0.02 0.17 -1.21 0.64 0.00 0.00 175.55 175.20 1pla s GLU 69 N -0.31 3.30 -0.08 4.97 2.02 -1.26 -0.72 118.70 126.61 1pla s GLU 69 Ca -0.00 -0.49 -0.07 0.00 0.02 0.00 0.00 54.97 54.43 1pla s GLU 69 Cb -0.03 -2.96 0.02 0.00 0.10 0.00 0.00 34.13 31.26 1pla s GLU 69 CO -0.00 0.60 0.22 0.08 0.02 0.00 0.00 175.26 176.18 1pla s VAL 70 N -1.46 -0.01 -0.31 2.63 1.01 0.16 -4.95 120.40 117.47 1pla s VAL 70 Ca 0.33 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1pla s VAL 70 Cb -0.13 -0.32 0.10 0.00 0.00 0.00 0.00 36.38 36.04 1pla s VAL 70 CO 0.26 0.01 0.10 -0.89 0.00 0.00 0.00 175.10 174.58 1pla s THR 71 N 0.30 0.83 0.63 3.92 2.01 -1.26 -0.01 115.64 122.05 1pla s THR 71 Ca -0.01 -1.39 -0.09 0.00 0.31 0.00 0.00 61.69 60.51 1pla s THR 71 Cb -0.03 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 1pla s THR 71 CO -0.01 -0.69 0.99 -0.76 -0.69 0.00 0.00 174.62 173.46 1pla s LEU 72 N 1.62 3.16 -0.33 4.42 1.43 -1.26 -4.98 118.68 122.73 1pla s LEU 72 Ca 0.10 1.08 0.15 0.00 -1.03 0.00 0.00 54.13 54.43 1pla s LEU 72 Cb -0.17 -3.97 0.44 0.00 0.03 0.00 0.00 46.19 42.52 1pla s LEU 72 CO -0.25 -1.05 1.25 0.41 0.23 0.00 0.00 176.35 176.94 1pla n THR 73 N -2.74 0.53 -3.45 5.49 -1.04 -1.26 -3.56 114.28 108.25 1pla n THR 73 Ca 0.05 -2.07 -0.20 0.00 -2.04 0.00 0.00 64.05 59.79 1pla n THR 73 Cb 0.56 0.99 -0.12 0.00 -1.82 0.00 0.00 70.33 69.95 1pla n THR 73 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1pla s GLU 74 N -1.54 0.26 -0.51 -2.82 2.56 -1.26 -5.04 118.70 110.36 1pla s GLU 74 Ca 0.21 -0.17 -0.37 0.00 0.00 0.00 0.00 54.97 54.64 1pla s GLU 74 Cb 0.41 -0.89 -0.15 0.00 2.00 0.00 0.00 34.13 35.49 1pla s GLU 74 CO -0.06 -0.95 2.26 1.63 -0.56 0.00 0.00 175.26 177.58 1pla n LYS 75 N 5.30 0.52 0.00 4.30 5.02 -1.26 -4.62 118.16 127.41 1pla n LYS 75 Ca -0.04 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1pla n LYS 75 Cb 0.46 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 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 -0.85 2.86 0.72 0.00 -0.73 -4.94 105.19 109.10 1pla n GLY 76 Ca 0.50 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.05 0.09 2.61 2.01 -1.26 -1.69 115.64 113.35 1pla s THR 77 Ca 0.00 0.20 0.10 0.00 0.31 0.00 0.00 61.69 62.29 1pla s THR 77 Cb 0.00 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.31 1pla s THR 77 CO 0.00 0.08 -0.26 -0.31 -0.69 0.00 0.00 174.62 173.44 1pla s TYR 78 N 1.13 2.21 -0.15 4.92 1.51 -1.03 -4.50 117.35 121.44 1pla s TYR 78 Ca -0.09 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.59 1pla s TYR 78 Cb -0.12 -1.26 0.02 0.00 -0.11 0.00 0.00 41.96 40.49 1pla s TYR 78 CO -0.05 0.22 -0.18 0.15 -1.11 0.00 0.00 175.55 174.58 1pla s LYS 79 N -1.64 2.71 0.26 -0.62 3.01 -1.26 -1.99 119.74 120.20 1pla s LYS 79 Ca 0.12 -0.73 0.09 0.00 -1.01 0.00 0.00 55.97 54.44 1pla s LYS 79 Cb -0.10 -2.33 -0.05 0.00 -1.01 0.00 0.00 37.83 34.34 1pla s LYS 79 CO 0.04 -0.16 -0.14 -0.59 0.51 0.00 0.00 175.35 175.01 1pla s PHE 80 N 1.21 2.02 0.33 3.18 -0.71 0.13 -1.66 117.98 122.47 1pla s PHE 80 Ca 0.01 -0.50 -0.18 0.00 -1.04 0.00 0.00 56.93 55.22 1pla s PHE 80 Cb -0.14 -0.97 0.05 0.00 -1.21 0.00 0.00 43.02 40.75 1pla s PHE 80 CO -0.09 0.49 0.82 1.52 -1.34 0.00 0.00 175.22 176.63 1pla s TYR 81 N -2.78 0.06 -0.29 3.49 1.13 -0.65 0.24 117.35 118.55 1pla s TYR 81 Ca 0.27 -0.65 -0.11 0.00 -1.41 0.00 0.00 57.07 55.17 1pla s TYR 81 Cb -0.01 0.79 -0.04 0.00 -1.10 0.00 0.00 41.96 41.60 1pla s TYR 81 CO 0.11 -1.40 0.20 0.00 -2.51 0.00 0.00 175.55 171.95 1pla h GLU 83 N 8.39 0.52 0.19 0.00 4.81 -1.91 -1.98 114.58 124.59 1pla h GLU 83 Ca -0.34 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 58.52 1pla h GLU 83 Cb 1.18 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1pla h GLU 83 CO 0.57 0.98 -0.09 -1.00 -0.73 0.00 0.00 179.01 178.74 1pla h PRO 84 N 0.39 -0.24 -0.49 0.92 0.13 -1.92 -3.11 132.00 127.67 1pla h PRO 84 Ca -0.01 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1pla h PRO 84 Cb 1.18 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1pla h PRO 84 CO 0.11 0.17 0.00 0.72 -0.23 0.00 0.00 178.00 178.77 1pla n HIS 85 N -4.95 0.00 0.06 1.56 8.25 -1.25 -3.99 115.22 114.89 1pla n HIS 85 Ca -0.08 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.41 1pla n HIS 85 Cb 0.26 -0.05 0.16 0.00 1.12 0.00 0.00 29.99 31.48 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 -0.25 0.79 0.15 -1.41 0.00 -0.75 0.17 120.51 119.21 1pla n ALA 86 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.52 1pla n ALA 86 Cb 0.12 -0.86 0.08 0.00 0.00 0.00 0.00 19.45 18.79 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 0.00 0.00 1.54 0.00 0.00 -1.85 -3.23 103.07 99.53 1pla h GLY 87 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1pla h GLY 87 CO 0.00 0.00 -1.32 0.00 0.00 0.00 0.00 176.54 175.22 1pla h ALA 88 N 1.50 0.42 0.00 3.60 0.00 -0.61 -3.48 119.26 120.69 1pla h ALA 88 Ca -0.01 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1pla h ALA 88 Cb 1.32 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1pla h ALA 88 CO 0.07 1.29 0.00 0.41 0.00 0.00 0.00 179.25 181.01 1pla n GLY 89 N 1.49 1.84 3.59 0.00 0.00 -1.16 -5.05 105.19 105.90 1pla n GLY 89 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.33 3.22 0.19 1.61 1.00 -1.25 -4.93 119.30 118.81 1pla s MET 90 Ca 0.00 1.35 0.11 0.00 0.00 0.00 0.00 55.69 57.15 1pla s MET 90 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 34.83 30.55 1pla s MET 90 CO 0.00 -1.99 -0.23 0.15 0.00 0.00 0.00 175.02 172.95 1pla s LYS 91 N 5.89 1.47 -0.00 2.03 -0.14 -1.26 -2.57 119.74 125.16 1pla s LYS 91 Ca 0.79 -1.50 -0.03 0.00 -1.36 0.00 0.00 55.97 53.88 1pla s LYS 91 Cb -0.21 -1.74 -0.01 0.00 -1.68 0.00 0.00 37.83 34.19 1pla s LYS 91 CO 0.32 0.37 0.04 0.20 -0.76 0.00 0.00 175.35 175.53 1pla s GLY 92 N -2.65 0.09 -0.10 -3.33 0.00 0.66 -4.36 107.32 97.62 1pla s GLY 92 Ca 0.20 -0.20 -0.18 0.00 0.00 0.00 0.00 44.72 44.54 1pla s GLY 92 CO 0.09 -0.26 0.44 -0.54 0.00 0.00 0.00 173.10 172.83 1pla s GLU 93 N -0.88 0.66 -0.04 2.90 2.02 -1.05 0.18 118.70 122.48 1pla s GLU 93 Ca -0.10 0.28 -0.01 0.00 0.02 0.00 0.00 54.97 55.17 1pla s GLU 93 Cb -0.06 0.31 0.03 0.00 0.10 0.00 0.00 34.13 34.51 1pla s GLU 93 CO 0.00 -0.15 0.02 0.54 0.02 0.00 0.00 175.26 175.70 1pla s VAL 94 N -0.54 0.08 -0.54 2.63 0.11 -0.84 -2.47 120.40 118.83 1pla s VAL 94 Ca -0.07 0.21 -0.13 0.00 -2.93 0.00 0.00 61.98 59.07 1pla s VAL 94 Cb -0.03 -0.24 0.13 0.00 -1.53 0.00 0.00 36.38 34.71 1pla s VAL 94 CO 0.03 0.16 0.46 -0.89 -3.33 0.00 0.00 175.10 171.54 1pla s THR 95 N 1.51 4.84 0.41 5.04 2.01 -0.84 -2.45 115.64 126.16 1pla s THR 95 Ca -0.03 -1.71 -0.22 0.00 0.31 0.00 0.00 61.69 60.04 1pla s THR 95 Cb -0.13 -4.12 -0.11 0.00 0.01 0.00 0.00 72.50 68.15 1pla s THR 95 CO -0.03 -0.85 0.95 -0.69 -0.69 0.00 0.00 174.62 173.31 1pla s VAL 96 N 1.37 4.33 0.00 3.82 1.01 -0.68 -1.32 120.40 128.93 1pla s VAL 96 Ca 0.05 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.60 1pla s VAL 96 Cb -0.27 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1pla s VAL 96 CO 0.01 -0.21 0.00 -0.46 0.00 0.00 0.00 175.10 174.44