#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 3.87 -0.06 0.00 2.02 -1.26 -2.52 118.70 120.75 1pla s GLU 2 Ca 0.00 0.36 0.03 0.00 0.02 0.00 0.00 54.97 55.38 1pla s GLU 2 Cb 0.00 -3.20 0.01 0.00 0.10 0.00 0.00 34.13 31.04 1pla s GLU 2 CO 0.00 0.69 -0.15 0.08 0.02 0.00 0.00 175.26 175.90 1pla s VAL 3 N -1.11 1.33 -0.28 2.63 1.01 -0.73 -4.51 120.40 118.74 1pla s VAL 3 Ca 0.24 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 1pla s VAL 3 Cb -0.16 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1pla s VAL 3 CO 0.13 0.39 0.11 -0.54 0.00 0.00 0.00 175.10 175.19 1pla s LYS 4 N 0.41 3.53 -0.64 2.72 1.02 0.12 0.44 119.74 127.33 1pla s LYS 4 Ca -0.11 -0.58 -0.28 0.00 0.02 0.00 0.00 55.97 55.02 1pla s LYS 4 Cb -0.14 -3.44 0.03 0.00 -0.52 0.00 0.00 37.83 33.76 1pla s LYS 4 CO 0.04 -0.29 1.24 -0.51 -0.92 0.00 0.00 175.35 174.91 1pla s LEU 5 N 1.62 3.33 0.00 3.17 1.43 0.52 -2.57 118.68 126.19 1pla s LEU 5 Ca 0.06 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1pla s LEU 5 Cb -0.16 -2.93 0.00 0.00 0.03 0.00 0.00 46.19 43.13 1pla s LEU 5 CO 0.05 -1.63 0.00 0.61 0.23 0.00 0.00 176.35 175.61 1pla n GLY 6 N 5.19 3.65 0.00 -3.19 0.00 -0.90 -2.76 105.19 107.18 1pla n GLY 6 Ca 0.07 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1pla n GLY 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pla n SER 7 N 0.00 0.00 0.00 1.61 3.41 -0.65 -4.65 113.62 113.34 1pla n SER 7 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1pla n SER 7 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1pla n SER 7 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pla n ASP 8 N 0.00 0.00 -0.06 4.04 8.00 -1.26 -4.91 116.55 122.37 1pla n ASP 8 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 1pla n ASP 8 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 1pla n ASP 8 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1pla n ASP 9 N -0.11 1.68 0.00 -2.24 5.75 -1.26 -4.94 116.55 115.43 1pla n ASP 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1pla n ASP 9 Cb 0.00 0.96 0.00 0.00 -1.03 0.00 0.00 41.12 41.05 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 2.09 0.00 3.97 6.12 0.00 -1.26 -5.15 105.19 110.96 1pla n GLY 10 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 1.51 -0.49 -0.02 0.00 -1.26 -4.93 107.32 102.13 1pla s GLY 11 Ca 0.00 -1.19 0.04 0.00 0.00 0.00 0.00 44.72 43.57 1pla s GLY 11 CO 0.00 -1.08 0.23 1.08 0.00 0.00 0.00 173.10 173.33 1pla s LEU 12 N -4.34 4.18 0.03 0.66 1.43 -1.26 -1.64 118.68 117.74 1pla s LEU 12 Ca 0.45 -2.85 -0.11 0.00 -1.03 0.00 0.00 54.13 50.59 1pla s LEU 12 Cb -0.10 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.56 1pla s LEU 12 CO 0.34 -0.26 0.23 0.68 0.23 0.00 0.00 176.35 177.58 1pla s VAL 13 N -0.05 0.10 -0.52 -1.59 -7.23 -1.26 -4.39 120.40 105.45 1pla s VAL 13 Ca 0.16 -0.79 -0.28 0.00 -1.81 0.00 0.00 61.98 59.25 1pla s VAL 13 Cb -0.25 -0.87 0.02 0.00 0.56 0.00 0.00 36.38 35.85 1pla s VAL 13 CO -0.01 -0.44 1.27 -0.36 -0.31 0.00 0.00 175.10 175.25 1pla s PHE 14 N -2.40 2.54 -0.32 2.82 0.08 -1.26 -2.12 117.98 117.33 1pla s PHE 14 Ca -0.06 0.55 -0.03 0.00 0.12 0.00 0.00 56.93 57.51 1pla s PHE 14 Cb -0.02 -4.43 0.05 0.00 -0.57 0.00 0.00 43.02 38.05 1pla s PHE 14 CO -0.03 -1.67 0.03 -1.12 -0.10 0.00 0.00 175.22 172.34 1pla s SER 15 N 3.36 4.99 1.23 1.36 0.01 -1.06 -0.91 113.70 122.68 1pla s SER 15 Ca 0.50 -1.32 -0.19 0.00 1.31 0.00 0.00 55.95 56.25 1pla s SER 15 Cb -0.09 -1.75 0.30 0.00 0.21 0.00 0.00 66.02 64.69 1pla s SER 15 CO 0.28 -0.30 1.07 -2.16 0.41 0.00 0.00 173.24 172.54 1pla s PRO 16 N 1.27 -1.47 -0.22 12.44 0.04 -1.26 0.13 135.00 145.92 1pla s PRO 16 Ca -0.03 0.05 -0.14 0.00 0.04 0.00 0.00 61.00 60.92 1pla s PRO 16 Cb -0.20 -1.56 -0.18 0.00 0.04 0.00 0.00 34.50 32.60 1pla s PRO 16 CO -0.01 -3.90 0.03 -1.13 0.04 0.00 0.00 177.00 172.03 1pla n SER 17 N -4.92 1.95 -4.07 6.66 3.41 -0.09 -4.89 113.62 111.67 1pla n SER 17 Ca 0.12 0.30 -0.18 0.00 -0.26 0.00 0.00 58.87 58.85 1pla n SER 17 Cb 0.59 -0.85 -0.13 0.00 -0.26 0.00 0.00 64.21 63.56 1pla n SER 17 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1pla s SER 18 N -7.04 1.20 -0.28 4.04 1.04 -1.26 -2.33 113.70 109.07 1pla s SER 18 Ca -0.31 -0.35 -0.20 0.00 0.48 0.00 0.00 55.95 55.57 1pla s SER 18 Cb 0.09 -0.08 0.11 0.00 0.10 0.00 0.00 66.02 66.24 1pla s SER 18 CO 0.59 0.01 0.86 0.72 0.98 0.00 0.00 173.24 176.41 1pla s PHE 19 N -0.69 -0.73 0.49 5.02 -0.71 -0.98 -5.00 117.98 115.39 1pla s PHE 19 Ca -0.00 1.57 -0.06 0.00 -1.04 0.00 0.00 56.93 57.40 1pla s PHE 19 Cb -0.06 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 42.12 1pla s PHE 19 CO 0.00 -0.36 0.81 0.95 -1.34 0.00 0.00 175.22 175.29 1pla s THR 20 N 0.94 4.88 0.27 -4.49 -4.23 -1.26 -2.35 115.64 109.40 1pla s THR 20 Ca -0.04 0.30 -0.08 0.00 -1.18 0.00 0.00 61.69 60.69 1pla s THR 20 Cb -0.05 -3.86 -0.01 0.00 1.34 0.00 0.00 72.50 69.93 1pla s THR 20 CO -0.11 -0.87 0.42 0.68 -0.54 0.00 0.00 174.62 174.20 1pla s VAL 21 N -2.77 0.00 0.28 2.29 -7.23 0.30 -4.83 120.40 108.45 1pla s VAL 21 Ca 0.48 -1.56 -0.13 0.00 -1.81 0.00 0.00 61.98 58.96 1pla s VAL 21 Cb -0.10 -2.39 -0.08 0.00 0.56 0.00 0.00 36.38 34.36 1pla s VAL 21 CO 0.45 0.00 0.67 0.00 -0.31 0.00 0.00 175.10 175.91 1pla s ALA 22 N -3.75 3.41 -0.90 1.32 0.00 -1.26 -0.53 121.76 120.05 1pla s ALA 22 Ca 0.28 -0.06 -0.22 0.00 0.00 0.00 0.00 51.96 51.95 1pla s ALA 22 Cb 0.01 -2.65 -0.14 0.00 0.00 0.00 0.00 23.12 20.34 1pla s ALA 22 CO 0.13 0.39 1.92 0.00 0.00 0.00 0.00 175.76 178.20 1pla n ALA 23 N -0.21 2.81 0.00 0.00 0.00 0.26 -1.89 120.51 121.48 1pla n ALA 23 Ca 0.02 -3.22 0.00 0.00 0.00 0.00 0.00 53.44 50.24 1pla n ALA 23 Cb 0.53 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.39 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 4.94 -0.12 3.79 0.00 0.00 -1.25 -4.90 105.19 107.65 1pla n GLY 24 Ca 0.48 0.00 -0.32 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 3.03 0.14 1.61 2.12 -0.79 -5.09 118.70 119.72 1pla s GLU 25 Ca 0.00 -0.55 -0.05 0.00 0.36 0.00 0.00 54.97 54.73 1pla s GLU 25 Cb 0.00 -2.83 -0.06 0.00 0.26 0.00 0.00 34.13 31.51 1pla s GLU 25 CO 0.00 0.62 0.38 -1.59 -0.54 0.00 0.00 175.26 174.13 1pla s LYS 26 N -2.00 3.63 0.11 4.30 -2.85 -1.26 -4.30 119.74 117.36 1pla s LYS 26 Ca 0.26 -0.07 0.11 0.00 -1.00 0.00 0.00 55.97 55.26 1pla s LYS 26 Cb -0.12 -2.85 -0.04 0.00 -2.06 0.00 0.00 37.83 32.76 1pla s LYS 26 CO 0.18 0.47 -0.27 0.42 0.10 0.00 0.00 175.35 176.24 1pla s ILE 27 N -1.66 2.24 -0.06 3.79 1.01 0.22 -2.55 121.20 124.20 1pla s ILE 27 Ca 0.41 -1.68 -0.02 0.00 0.00 0.00 0.00 60.65 59.35 1pla s ILE 27 Cb -0.12 -1.97 0.03 0.00 0.01 0.00 0.00 42.46 40.41 1pla s ILE 27 CO 0.24 0.14 0.04 0.42 0.00 0.00 0.00 174.94 175.79 1pla s THR 28 N -1.01 0.04 0.23 2.92 -4.23 -1.05 -1.75 115.64 110.80 1pla s THR 28 Ca 0.14 0.29 -0.17 0.00 -1.18 0.00 0.00 61.69 60.77 1pla s THR 28 Cb -0.10 -0.30 -0.08 0.00 1.34 0.00 0.00 72.50 73.36 1pla s THR 28 CO 0.05 0.17 0.69 -0.36 -0.54 0.00 0.00 174.62 174.64 1pla s PHE 29 N 2.11 3.57 -0.02 3.99 0.08 -0.95 -1.78 117.98 124.98 1pla s PHE 29 Ca 0.05 1.28 0.00 0.00 0.12 0.00 0.00 56.93 58.38 1pla s PHE 29 Cb -0.12 -2.55 0.02 0.00 -0.57 0.00 0.00 43.02 39.80 1pla s PHE 29 CO -0.04 0.29 0.00 0.21 -0.10 0.00 0.00 175.22 175.58 1pla s LYS 30 N -2.23 0.20 -0.40 0.44 2.20 0.17 -2.01 119.74 118.10 1pla s LYS 30 Ca 0.45 0.07 -0.28 0.00 -0.36 0.00 0.00 55.97 55.85 1pla s LYS 30 Cb -0.15 -0.36 0.02 0.00 -1.51 0.00 0.00 37.83 35.83 1pla s LYS 30 CO 0.20 -0.10 1.06 -0.80 -0.36 0.00 0.00 175.35 175.34 1pla s ASN 31 N 0.80 6.73 -0.06 1.43 0.01 -1.26 -0.35 114.94 122.24 1pla s ASN 31 Ca -0.08 0.66 0.14 0.00 -0.71 0.00 0.00 52.86 52.88 1pla s ASN 31 Cb -0.11 -2.52 -0.21 0.00 0.41 0.00 0.00 41.25 38.82 1pla s ASN 31 CO -0.02 -1.03 0.23 -0.46 -1.51 0.00 0.00 177.10 174.31 1pla n ASN 32 N 7.25 1.55 0.00 -1.22 6.94 -1.13 -3.61 115.26 125.04 1pla n ASN 32 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.67 1pla n ASN 32 Cb 0.48 1.39 0.00 0.00 -2.36 0.00 0.00 39.78 39.29 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 -2.20 0.00 0.00 -2.53 0.00 -1.11 -4.99 120.51 109.68 1pla n ALA 33 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1pla n ALA 33 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 0.00 3.85 0.00 0.00 -1.26 -4.26 105.19 103.52 1pla n GLY 34 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 3.32 0.45 1.61 -0.71 -1.26 -4.37 117.98 117.01 1pla s PHE 35 Ca 0.00 1.23 -0.22 0.00 -1.04 0.00 0.00 56.93 56.90 1pla s PHE 35 Cb 0.00 -2.91 -0.09 0.00 -1.21 0.00 0.00 43.02 38.81 1pla s PHE 35 CO 0.00 -1.10 1.03 -1.25 -1.34 0.00 0.00 175.22 172.55 1pla s PRO 36 N -5.20 4.00 0.53 1.99 0.04 -1.26 -5.09 135.00 130.00 1pla s PRO 36 Ca 0.57 1.37 0.03 0.00 0.04 0.00 0.00 61.00 63.02 1pla s PRO 36 Cb -0.12 -2.27 0.01 0.00 0.04 0.00 0.00 34.50 32.16 1pla s PRO 36 CO 0.54 -0.26 0.18 -1.01 0.04 0.00 0.00 177.00 176.49 1pla s HIS 37 N -1.89 1.75 -0.15 0.56 3.76 -1.04 -4.96 115.29 113.31 1pla s HIS 37 Ca 0.63 -0.91 -0.13 0.00 -0.15 0.00 0.00 55.06 54.50 1pla s HIS 37 Cb -0.17 -1.74 0.04 0.00 1.11 0.00 0.00 32.58 31.82 1pla s HIS 37 CO 0.21 -0.09 0.40 1.21 -0.85 0.00 0.00 174.74 175.63 1pla s ASN 38 N -4.06 -0.43 -0.28 1.40 3.04 -1.26 -3.21 114.94 110.14 1pla s ASN 38 Ca 0.18 0.82 0.02 0.00 0.04 0.00 0.00 52.86 53.91 1pla s ASN 38 Cb -0.00 0.80 0.08 0.00 -1.54 0.00 0.00 41.25 40.59 1pla s ASN 38 CO 0.11 -0.15 -0.02 -0.63 -3.04 0.00 0.00 177.10 173.37 1pla s ILE 39 N 0.45 1.75 0.07 -5.21 1.01 -1.26 -3.81 121.20 114.20 1pla s ILE 39 Ca -0.02 -1.61 0.06 0.00 0.00 0.00 0.00 60.65 59.09 1pla s ILE 39 Cb -0.04 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 1pla s ILE 39 CO -0.02 -0.29 -0.17 -0.69 0.00 0.00 0.00 174.94 173.77 1pla s VAL 40 N 1.25 1.35 -0.21 2.92 1.01 -1.09 0.11 120.40 125.74 1pla s VAL 40 Ca 0.00 -1.33 -0.08 0.00 0.00 0.00 0.00 61.98 60.57 1pla s VAL 40 Cb -0.19 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1pla s VAL 40 CO -0.09 -0.11 0.08 -0.36 0.00 0.00 0.00 175.10 174.62 1pla s PHE 41 N -1.14 3.21 -0.15 5.22 0.40 -1.26 -2.05 117.98 122.20 1pla s PHE 41 Ca 0.02 -0.03 -0.29 0.00 -0.60 0.00 0.00 56.93 56.02 1pla s PHE 41 Cb -0.10 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.26 1pla s PHE 41 CO 0.03 0.01 1.51 0.34 0.70 0.00 0.00 175.22 177.81 1pla s ASP 42 N 0.78 6.65 0.00 1.36 2.15 -0.40 -4.85 116.67 122.36 1pla s ASP 42 Ca 0.04 1.83 -0.01 0.00 0.43 0.00 0.00 52.55 54.84 1pla s ASP 42 Cb -0.13 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.92 1pla s ASP 42 CO 0.02 -1.00 1.69 -1.84 -0.17 0.00 0.00 175.17 173.87 1pla n GLU 43 N 7.17 0.86 0.00 4.34 0.28 -1.26 -2.74 120.64 129.28 1pla n GLU 43 Ca 0.17 -0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1pla n GLU 43 Cb 0.44 -1.25 0.00 0.00 1.43 0.00 0.00 31.44 32.06 1pla n GLU 43 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1pla n ASP 44 N 1.79 0.15 -0.20 -1.84 9.92 -1.26 -4.76 116.55 120.35 1pla n ASP 44 Ca 0.05 -0.28 0.02 0.00 -0.53 0.00 0.00 54.79 54.05 1pla n ASP 44 Cb 0.42 0.59 0.03 0.00 -0.64 0.00 0.00 41.12 41.51 1pla n ASP 44 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1pla n GLU 45 N -0.60 0.71 -3.84 -1.24 -0.58 -1.11 -5.06 120.64 108.92 1pla n GLU 45 Ca 0.00 -1.28 -0.35 0.00 -0.42 0.00 0.00 57.16 55.11 1pla n GLU 45 Cb 0.00 -0.79 -0.05 0.00 -0.57 0.00 0.00 31.44 30.03 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 -0.76 5.41 0.98 2.62 1.01 -1.25 -4.35 120.40 124.06 1pla s VAL 46 Ca 0.07 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 1pla s VAL 46 Cb 0.06 -3.51 0.10 0.00 0.00 0.00 0.00 36.38 33.03 1pla s VAL 46 CO 0.01 0.44 0.65 -2.65 0.00 0.00 0.00 175.10 173.55 1pla n PRO 47 N 1.37 -0.67 -1.53 2.72 -0.01 -1.26 -4.85 135.00 130.76 1pla n PRO 47 Ca -0.14 -0.15 -0.28 0.00 -0.01 0.00 0.00 63.50 62.92 1pla n PRO 47 Cb 0.53 -2.03 -0.06 0.00 -0.01 0.00 0.00 33.50 31.94 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 -4.02 6.50 0.00 3.55 0.00 -1.26 -3.98 120.51 121.30 1pla n ALA 48 Ca 0.07 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.38 1pla n ALA 48 Cb 0.54 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 1.04 0.01 3.82 0.00 0.00 -1.26 -5.12 105.19 103.68 1pla n GLY 49 Ca 0.50 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 1pla n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pla s VAL 50 N -1.29 4.14 0.07 1.61 0.11 -1.26 -5.03 120.40 118.76 1pla s VAL 50 Ca 0.00 1.17 -0.20 0.00 -2.93 0.00 0.00 61.98 60.02 1pla s VAL 50 Cb 0.00 -3.54 -0.07 0.00 -1.53 0.00 0.00 36.38 31.24 1pla s VAL 50 CO 0.00 -0.44 0.59 0.20 -3.33 0.00 0.00 175.10 172.12 1pla s ASN 51 N -2.51 7.08 0.00 3.54 0.02 -1.26 -4.87 114.94 116.95 1pla s ASN 51 Ca 0.63 1.28 0.20 0.00 -1.02 0.00 0.00 52.86 53.95 1pla s ASN 51 Cb -0.13 -2.37 0.00 0.00 0.02 0.00 0.00 41.25 38.77 1pla s ASN 51 CO 0.25 0.25 0.99 0.00 0.02 0.00 0.00 177.10 178.61 1pla n ALA 52 N 1.81 3.33 -0.02 0.60 0.00 -1.26 -4.32 120.51 120.66 1pla n ALA 52 Ca -0.10 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 52.61 1pla n ALA 52 Cb 0.51 -0.68 -0.14 0.00 0.00 0.00 0.00 19.45 19.13 1pla n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pla n GLU 53 N 0.00 0.68 0.20 0.00 -0.58 -1.26 -3.30 120.64 116.39 1pla n GLU 53 Ca 0.08 0.27 0.10 0.00 -0.42 0.00 0.00 57.16 57.19 1pla n GLU 53 Cb 0.41 -1.75 0.20 0.00 -0.57 0.00 0.00 31.44 29.74 1pla n GLU 53 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1pla h LYS 54 N 0.03 0.00 0.00 3.49 1.57 -2.01 -3.26 116.57 116.39 1pla h LYS 54 Ca -0.35 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.28 1pla h LYS 54 Cb 2.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.31 1pla h LYS 54 CO 0.08 0.17 -1.60 0.44 -0.57 0.00 0.00 179.45 177.97 1pla n ILE 55 N -3.16 1.00 -1.07 1.86 -5.35 -1.26 -4.94 119.36 106.44 1pla n ILE 55 Ca 0.03 -0.68 -0.29 0.00 -0.27 0.00 0.00 62.75 61.54 1pla n ILE 55 Cb 0.56 -0.56 0.22 0.00 -1.74 0.00 0.00 39.64 38.11 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 -5.52 1.54 -0.60 7.28 0.01 -1.21 -4.94 113.70 110.26 1pla s SER 56 Ca -0.04 0.90 0.05 0.00 1.31 0.00 0.00 55.95 58.16 1pla s SER 56 Cb 0.09 -1.35 0.18 0.00 0.21 0.00 0.00 66.02 65.15 1pla s SER 56 CO 0.83 -3.77 0.47 0.00 0.41 0.00 0.00 173.24 171.17 1pla n GLN 57 N -4.56 1.34 0.15 12.44 6.02 0.12 -4.92 117.38 127.96 1pla n GLN 57 Ca 0.09 -4.06 0.11 0.00 -0.01 0.00 0.00 57.00 53.13 1pla n GLN 57 Cb 0.58 -2.06 0.53 0.00 1.02 0.00 0.00 30.24 30.32 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 2.13 0.14 -3.40 -1.09 -0.02 -1.26 -4.24 135.00 127.25 1pla n PRO 58 Ca 0.24 0.58 -0.44 0.00 -2.02 0.00 0.00 63.50 61.86 1pla n PRO 58 Cb 0.40 -1.91 -0.08 0.00 -0.02 0.00 0.00 33.50 31.89 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 -3.46 2.95 1.00 -0.52 2.02 -1.26 -5.06 118.70 114.36 1pla s GLU 59 Ca -0.01 -1.37 -0.20 0.00 0.02 0.00 0.00 54.97 53.42 1pla s GLU 59 Cb 0.07 -4.11 -0.01 0.00 0.10 0.00 0.00 34.13 30.18 1pla s GLU 59 CO 0.23 -1.03 -0.54 0.66 0.02 0.00 0.00 175.26 174.60 1pla n TYR 60 N 5.18 -1.51 -3.80 1.61 4.02 -1.26 -4.98 117.16 116.41 1pla n TYR 60 Ca -0.12 0.37 -0.18 0.00 -0.01 0.00 0.00 57.90 57.95 1pla n TYR 60 Cb 0.44 -1.44 -0.17 0.00 -0.02 0.00 0.00 39.34 38.14 1pla n TYR 60 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 1pla s LEU 61 N 3.32 0.78 -0.32 7.72 0.05 -1.20 -5.04 118.68 124.00 1pla s LEU 61 Ca 0.40 0.01 0.15 0.00 0.05 0.00 0.00 54.13 54.74 1pla s LEU 61 Cb -0.01 -0.20 0.47 0.00 -2.05 0.00 0.00 46.19 44.40 1pla s LEU 61 CO 0.54 -0.16 1.07 -0.46 -0.55 0.00 0.00 176.35 176.79 1pla n ASN 62 N 4.61 2.72 -4.02 1.48 6.94 -1.26 -2.50 115.26 123.23 1pla n ASN 62 Ca -0.18 -2.89 -0.30 0.00 -0.02 0.00 0.00 54.58 51.19 1pla n ASN 62 Cb 0.50 -0.47 -0.16 0.00 -2.36 0.00 0.00 39.78 37.29 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 -3.48 1.16 -0.02 4.83 0.00 -1.26 -4.97 107.32 103.58 1pla s GLY 63 Ca 0.35 -0.97 -0.34 0.00 0.00 0.00 0.00 44.72 43.75 1pla s GLY 63 CO -0.03 0.55 1.77 0.00 0.00 0.00 0.00 173.10 175.39 1pla n ALA 64 N 4.75 0.92 -0.93 3.20 0.00 -1.26 0.52 120.51 127.71 1pla n ALA 64 Ca -0.17 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1pla n ALA 64 Cb 0.49 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1pla n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 65 N 4.04 0.80 3.59 0.00 0.00 -1.24 -4.96 105.19 107.41 1pla n GLY 65 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.07 3.17 0.36 1.61 2.12 0.18 -4.70 118.70 121.37 1pla s GLU 66 Ca 0.00 1.14 0.05 0.00 0.36 0.00 0.00 54.97 56.51 1pla s GLU 66 Cb 0.00 -4.23 -0.01 0.00 0.26 0.00 0.00 34.13 30.16 1pla s GLU 66 CO 0.00 -2.06 0.52 0.95 -0.54 0.00 0.00 175.26 174.13 1pla s THR 67 N 7.29 4.15 0.35 -1.70 -4.23 -1.26 -4.00 115.64 116.23 1pla s THR 67 Ca 0.74 -0.85 0.04 0.00 -1.18 0.00 0.00 61.69 60.44 1pla s THR 67 Cb -0.18 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.16 1pla s THR 67 CO 0.30 -0.22 0.18 -0.47 -0.54 0.00 0.00 174.62 173.87 1pla s TYR 68 N -2.27 1.70 0.01 3.99 5.04 -0.85 -4.95 117.35 120.02 1pla s TYR 68 Ca 0.45 -1.42 -0.07 0.00 -2.44 0.00 0.00 57.07 53.58 1pla s TYR 68 Cb -0.10 -0.92 0.00 0.00 0.35 0.00 0.00 41.96 41.30 1pla s TYR 68 CO 0.33 -0.54 0.14 -1.21 -1.34 0.00 0.00 175.55 172.93 1pla s GLU 69 N -3.68 0.52 -0.24 4.97 2.02 -1.26 -2.23 118.70 118.79 1pla s GLU 69 Ca 0.33 -0.45 -0.20 0.00 0.02 0.00 0.00 54.97 54.67 1pla s GLU 69 Cb 0.03 0.21 0.07 0.00 0.10 0.00 0.00 34.13 34.54 1pla s GLU 69 CO 0.19 -0.13 0.64 0.08 0.02 0.00 0.00 175.26 176.06 1pla s VAL 70 N -1.61 -0.00 -0.41 2.63 1.01 -0.71 -4.99 120.40 116.32 1pla s VAL 70 Ca -0.13 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1pla s VAL 70 Cb -0.06 -0.90 0.13 0.00 0.00 0.00 0.00 36.38 35.54 1pla s VAL 70 CO 0.01 0.00 0.20 -0.89 0.00 0.00 0.00 175.10 174.42 1pla s THR 71 N 0.73 1.40 0.54 3.92 2.01 -1.26 -0.61 115.64 122.37 1pla s THR 71 Ca -0.03 -2.32 -0.16 0.00 0.31 0.00 0.00 61.69 59.49 1pla s THR 71 Cb -0.05 -2.00 -0.07 0.00 0.01 0.00 0.00 72.50 70.39 1pla s THR 71 CO -0.05 -0.82 1.00 -0.76 -0.69 0.00 0.00 174.62 173.29 1pla s LEU 72 N 0.64 3.55 -0.34 4.42 1.43 -1.26 -4.99 118.68 122.13 1pla s LEU 72 Ca 0.15 1.55 0.15 0.00 -1.03 0.00 0.00 54.13 54.96 1pla s LEU 72 Cb -0.23 -4.50 0.44 0.00 0.03 0.00 0.00 46.19 41.92 1pla s LEU 72 CO -0.05 -0.66 1.23 1.07 0.23 0.00 0.00 176.35 178.16 1pla n THR 73 N -1.79 0.52 -3.59 5.49 5.66 -1.26 -3.92 114.28 115.38 1pla n THR 73 Ca 0.07 -2.13 -0.28 0.00 -3.05 0.00 0.00 64.05 58.66 1pla n THR 73 Cb 0.54 0.95 -0.16 0.00 -1.55 0.00 0.00 70.33 70.11 1pla n THR 73 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1pla s GLU 74 N -1.51 0.24 -0.64 1.09 0.41 -1.26 -4.88 118.70 112.15 1pla s GLU 74 Ca 0.22 -0.47 -0.40 0.00 -0.41 0.00 0.00 54.97 53.91 1pla s GLU 74 Cb 0.41 -1.47 -0.20 0.00 -1.78 0.00 0.00 34.13 31.09 1pla s GLU 74 CO -0.05 -0.91 2.30 0.36 -0.49 0.00 0.00 175.26 176.47 1pla n LYS 75 N 5.20 0.01 -0.11 1.61 2.85 -1.26 -4.64 118.16 121.82 1pla n LYS 75 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1pla n LYS 75 Cb 0.44 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 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 7.21 -0.76 2.84 2.58 0.00 -0.83 -4.94 105.19 111.30 1pla n GLY 76 Ca 0.58 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 1pla n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pla s THR 77 N -3.96 -0.04 0.21 2.61 -4.23 -1.26 -1.75 115.64 107.22 1pla s THR 77 Ca 0.00 0.13 0.11 0.00 -1.18 0.00 0.00 61.69 60.76 1pla s THR 77 Cb 0.00 -0.10 -0.05 0.00 1.34 0.00 0.00 72.50 73.70 1pla s THR 77 CO 0.00 0.05 -0.23 -0.31 -0.54 0.00 0.00 174.62 173.59 1pla s TYR 78 N 0.71 2.29 -0.08 3.99 1.51 -0.95 -4.26 117.35 120.55 1pla s TYR 78 Ca -0.06 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.67 1pla s TYR 78 Cb -0.08 -1.10 0.01 0.00 -0.11 0.00 0.00 41.96 40.68 1pla s TYR 78 CO -0.02 0.54 -0.14 0.15 -1.11 0.00 0.00 175.55 174.97 1pla s LYS 79 N -2.85 1.97 0.15 -0.62 -0.14 -1.26 -2.65 119.74 114.34 1pla s LYS 79 Ca 0.23 -0.49 -0.01 0.00 -1.36 0.00 0.00 55.97 54.34 1pla s LYS 79 Cb -0.07 -1.64 -0.04 0.00 -1.68 0.00 0.00 37.83 34.39 1pla s LYS 79 CO 0.11 -0.01 0.06 -0.59 -0.76 0.00 0.00 175.35 174.16 1pla s PHE 80 N 0.80 0.96 0.15 3.18 -0.71 0.41 -1.28 117.98 121.49 1pla s PHE 80 Ca -0.11 -1.22 -0.22 0.00 -1.04 0.00 0.00 56.93 54.33 1pla s PHE 80 Cb -0.16 -0.53 0.08 0.00 -1.21 0.00 0.00 43.02 41.20 1pla s PHE 80 CO 0.02 -0.48 1.06 2.48 -1.34 0.00 0.00 175.22 176.96 1pla n TYR 81 N -0.14 -1.19 -3.88 3.49 4.11 -0.87 0.25 117.16 118.92 1pla n TYR 81 Ca -0.05 -1.17 -0.36 0.00 -0.00 0.00 0.00 57.90 56.33 1pla n TYR 81 Cb 0.64 0.57 -0.11 0.00 -0.00 0.00 0.00 39.34 40.44 1pla n TYR 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pla h GLU 83 N 7.40 0.55 0.00 0.00 4.81 -1.91 -1.34 114.58 124.09 1pla h GLU 83 Ca -0.37 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 58.61 1pla h GLU 83 Cb 1.17 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1pla h GLU 83 CO 0.64 0.81 -0.00 -1.00 -0.73 0.00 0.00 179.01 178.73 1pla h PRO 84 N 0.27 -0.00 -0.67 0.92 0.14 -1.94 -3.07 132.00 127.65 1pla h PRO 84 Ca 0.05 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.19 1pla h PRO 84 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.80 1pla h PRO 84 CO 0.04 0.42 0.00 0.72 0.14 0.00 0.00 178.00 179.32 1pla n HIS 85 N -4.89 0.79 0.01 1.56 8.25 -1.25 -4.20 115.22 115.48 1pla n HIS 85 Ca -0.08 -0.29 0.01 0.00 -0.26 0.00 0.00 57.72 57.09 1pla n HIS 85 Cb 0.22 -0.20 0.04 0.00 1.12 0.00 0.00 29.99 31.17 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 0.34 0.98 0.37 -1.41 0.00 -0.50 -0.13 120.51 120.16 1pla n ALA 86 Ca 0.12 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1pla n ALA 86 Cb 0.55 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 19.09 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 1.27 0.00 0.00 -1.84 -3.31 103.07 99.19 1pla h GLY 87 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1pla h GLY 87 CO 0.00 0.00 -0.96 0.00 0.00 0.00 0.00 176.54 175.58 1pla h ALA 88 N 2.29 0.64 0.00 3.60 0.00 -0.86 -3.47 119.26 121.46 1pla h ALA 88 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1pla h ALA 88 Cb 0.85 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1pla h ALA 88 CO 0.00 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1pla n GLY 89 N 1.26 1.55 3.55 0.00 0.00 -1.17 -5.03 105.19 105.35 1pla n GLY 89 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.09 2.67 0.28 1.61 1.00 -1.23 -4.81 119.30 118.73 1pla s MET 90 Ca 0.00 0.53 0.07 0.00 0.00 0.00 0.00 55.69 56.29 1pla s MET 90 Cb 0.00 -4.38 -0.06 0.00 0.00 0.00 0.00 34.83 30.39 1pla s MET 90 CO 0.00 -2.70 -0.07 -1.59 0.00 0.00 0.00 175.02 170.66 1pla s LYS 91 N 6.94 1.56 -0.04 2.03 -2.85 -1.26 -2.39 119.74 123.74 1pla s LYS 91 Ca 0.65 -1.78 -0.13 0.00 -1.00 0.00 0.00 55.97 53.70 1pla s LYS 91 Cb -0.12 -1.22 0.02 0.00 -2.06 0.00 0.00 37.83 34.46 1pla s LYS 91 CO 0.20 0.06 0.30 0.20 0.10 0.00 0.00 175.35 176.21 1pla s GLY 92 N -3.45 -0.16 -0.08 0.59 0.00 0.70 -4.43 107.32 100.50 1pla s GLY 92 Ca 0.29 0.42 -0.20 0.00 0.00 0.00 0.00 44.72 45.23 1pla s GLY 92 CO 0.12 0.23 0.48 1.85 0.00 0.00 0.00 173.10 175.78 1pla s GLU 93 N -1.00 0.76 -0.02 2.90 2.12 -0.98 -0.45 118.70 122.03 1pla s GLU 93 Ca -0.11 0.21 -0.01 0.00 0.36 0.00 0.00 54.97 55.43 1pla s GLU 93 Cb -0.05 0.35 0.02 0.00 0.26 0.00 0.00 34.13 34.71 1pla s GLU 93 CO 0.03 -0.19 0.04 0.54 -0.54 0.00 0.00 175.26 175.14 1pla s VAL 94 N -0.80 -0.03 -0.42 3.70 0.11 -1.08 -2.31 120.40 119.57 1pla s VAL 94 Ca -0.09 0.12 -0.05 0.00 -2.93 0.00 0.00 61.98 59.03 1pla s VAL 94 Cb -0.03 -0.08 0.10 0.00 -1.53 0.00 0.00 36.38 34.84 1pla s VAL 94 CO 0.05 0.05 0.23 -0.89 -3.33 0.00 0.00 175.10 171.21 1pla s THR 95 N 0.63 3.64 0.46 5.04 2.01 -0.99 -2.25 115.64 124.17 1pla s THR 95 Ca -0.05 -1.82 -0.18 0.00 0.31 0.00 0.00 61.69 59.95 1pla s THR 95 Cb -0.07 -3.39 -0.09 0.00 0.01 0.00 0.00 72.50 68.96 1pla s THR 95 CO -0.02 -0.63 0.94 -0.69 -0.69 0.00 0.00 174.62 173.53 1pla s VAL 96 N 1.25 4.49 0.00 3.82 1.01 -0.71 -0.54 120.40 129.72 1pla s VAL 96 Ca 0.06 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.33 1pla s VAL 96 Cb -0.23 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1pla s VAL 96 CO -0.02 -0.48 0.00 -0.46 0.00 0.00 0.00 175.10 174.14