#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 3.58 -0.25 0.00 8.01 -1.26 -2.54 118.70 126.24 1pla s GLU 2 Ca 0.00 -0.52 -0.12 0.00 0.01 0.00 0.00 54.97 54.34 1pla s GLU 2 Cb 0.00 -3.22 -0.05 0.00 -4.31 0.00 0.00 34.13 26.56 1pla s GLU 2 CO 0.00 -0.16 0.24 0.08 0.01 0.00 0.00 175.26 175.43 1pla s VAL 3 N 1.50 5.29 -0.36 2.63 1.01 -0.54 -4.58 120.40 125.36 1pla s VAL 3 Ca 0.06 0.31 -0.21 0.00 0.00 0.00 0.00 61.98 62.14 1pla s VAL 3 Cb -0.15 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1pla s VAL 3 CO 0.02 0.27 0.67 -0.54 0.00 0.00 0.00 175.10 175.51 1pla s LYS 4 N 1.52 3.70 -0.73 2.72 3.01 0.17 -0.11 119.74 130.03 1pla s LYS 4 Ca 0.10 0.12 -0.27 0.00 -1.01 0.00 0.00 55.97 54.92 1pla s LYS 4 Cb -0.15 -3.81 0.03 0.00 -1.01 0.00 0.00 37.83 32.90 1pla s LYS 4 CO 0.08 -0.76 1.26 -0.51 0.51 0.00 0.00 175.35 175.94 1pla s LEU 5 N 2.79 3.23 0.00 3.17 1.02 0.78 -2.56 118.68 127.11 1pla s LEU 5 Ca 0.26 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 53.93 1pla s LEU 5 Cb -0.14 -2.55 0.00 0.00 0.02 0.00 0.00 46.19 43.51 1pla s LEU 5 CO 0.15 -1.82 0.00 0.61 0.02 0.00 0.00 176.35 175.31 1pla n GLY 6 N 5.38 3.62 1.18 -3.19 0.00 -1.08 -3.27 105.19 107.82 1pla n GLY 6 Ca 0.03 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.72 -0.17 1.61 3.41 0.70 -4.73 113.62 113.71 1pla n SER 7 Ca 0.00 -0.91 0.12 0.00 -0.26 0.00 0.00 58.87 57.82 1pla n SER 7 Cb 0.00 -0.32 0.30 0.00 -0.26 0.00 0.00 64.21 63.93 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 -3.45 0.90 -2.69 4.04 9.92 -1.26 -4.70 116.55 119.31 1pla n ASP 8 Ca 0.05 -0.72 -0.04 0.00 -0.53 0.00 0.00 54.79 53.56 1pla n ASP 8 Cb 0.19 0.22 0.04 0.00 -0.64 0.00 0.00 41.12 40.92 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 -0.92 -1.78 -1.09 -2.24 5.75 -1.26 -5.04 116.55 109.96 1pla n ASP 9 Ca 0.10 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 1pla n ASP 9 Cb 0.35 0.92 0.00 0.00 -1.03 0.00 0.00 41.12 41.36 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 2.42 -0.02 3.63 6.12 0.00 -1.26 -5.11 105.19 110.97 1pla n GLY 10 Ca 0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.90 0.08 -0.46 -0.02 0.00 -1.26 -4.94 107.32 98.82 1pla s GLY 11 Ca 0.00 2.87 0.03 0.00 0.00 0.00 0.00 44.72 47.62 1pla s GLY 11 CO 0.00 1.36 0.22 1.08 0.00 0.00 0.00 173.10 175.75 1pla s LEU 12 N -0.68 3.63 0.05 0.66 1.43 -1.26 -0.22 118.68 122.29 1pla s LEU 12 Ca 0.06 -2.68 -0.07 0.00 -1.03 0.00 0.00 54.13 50.41 1pla s LEU 12 Cb -0.02 -1.37 -0.00 0.00 0.03 0.00 0.00 46.19 44.83 1pla s LEU 12 CO -0.08 -0.27 0.15 0.68 0.23 0.00 0.00 176.35 177.05 1pla s VAL 13 N 0.21 0.13 -0.42 -1.59 -7.23 -1.26 -4.35 120.40 105.89 1pla s VAL 13 Ca 0.16 -1.08 -0.29 0.00 -1.81 0.00 0.00 61.98 58.96 1pla s VAL 13 Cb -0.24 -1.04 0.02 0.00 0.56 0.00 0.00 36.38 35.68 1pla s VAL 13 CO -0.02 -0.59 1.20 -0.36 -0.31 0.00 0.00 175.10 175.01 1pla s PHE 14 N -2.95 2.77 -0.32 2.82 0.08 -1.26 -2.63 117.98 116.50 1pla s PHE 14 Ca -0.02 0.80 -0.02 0.00 0.12 0.00 0.00 56.93 57.81 1pla s PHE 14 Cb 0.01 -4.25 0.06 0.00 -0.57 0.00 0.00 43.02 38.27 1pla s PHE 14 CO -0.06 -1.38 0.03 -1.12 -0.10 0.00 0.00 175.22 172.59 1pla s SER 15 N 2.66 4.95 1.14 1.36 0.01 -1.06 -0.46 113.70 122.30 1pla s SER 15 Ca 0.51 -1.39 -0.16 0.00 1.31 0.00 0.00 55.95 56.22 1pla s SER 15 Cb -0.10 -1.73 0.26 0.00 0.21 0.00 0.00 66.02 64.65 1pla s SER 15 CO 0.29 -0.30 1.08 -2.16 0.41 0.00 0.00 173.24 172.55 1pla s PRO 16 N 1.23 -0.68 -0.15 12.44 0.04 -1.26 0.44 135.00 147.06 1pla s PRO 16 Ca -0.03 0.29 -0.15 0.00 0.04 0.00 0.00 61.00 61.15 1pla s PRO 16 Cb -0.20 -1.63 -0.23 0.00 0.04 0.00 0.00 34.50 32.48 1pla s PRO 16 CO -0.02 -3.43 0.36 0.66 0.04 0.00 0.00 177.00 174.61 1pla h SER 17 N -2.39 0.23 -3.80 6.66 4.64 -1.07 -3.47 113.55 114.35 1pla h SER 17 Ca -0.51 -0.75 -0.22 0.00 -0.47 0.00 0.00 61.79 59.84 1pla h SER 17 Cb 1.32 -0.07 -0.27 0.00 -0.31 0.00 0.00 62.40 63.06 1pla h SER 17 CO 0.46 1.64 -0.69 -0.44 -0.87 0.00 0.00 176.83 176.93 1pla s SER 18 N -6.95 -0.02 -0.13 4.97 0.01 -1.26 -2.17 113.70 108.15 1pla s SER 18 Ca -0.24 0.03 -0.29 0.00 1.31 0.00 0.00 55.95 56.75 1pla s SER 18 Cb 0.06 0.06 0.09 0.00 0.21 0.00 0.00 66.02 66.43 1pla s SER 18 CO 0.69 -0.02 0.78 0.72 0.41 0.00 0.00 173.24 175.82 1pla s PHE 19 N -0.06 -0.61 0.22 2.43 -0.71 -1.06 -5.00 117.98 113.18 1pla s PHE 19 Ca -0.01 1.18 -0.06 0.00 -1.04 0.00 0.00 56.93 57.01 1pla s PHE 19 Cb -0.01 0.39 -0.06 0.00 -1.21 0.00 0.00 43.02 42.13 1pla s PHE 19 CO 0.00 -0.48 0.48 0.95 -1.34 0.00 0.00 175.22 174.83 1pla s THR 20 N -0.76 5.06 0.21 -4.49 -4.23 -1.26 -2.13 115.64 108.03 1pla s THR 20 Ca -0.06 0.14 -0.07 0.00 -1.18 0.00 0.00 61.69 60.52 1pla s THR 20 Cb -0.01 -3.66 -0.02 0.00 1.34 0.00 0.00 72.50 70.14 1pla s THR 20 CO 0.05 -0.12 0.30 0.68 -0.54 0.00 0.00 174.62 174.99 1pla s VAL 21 N -1.85 0.01 0.29 2.29 -7.23 -0.76 -4.89 120.40 108.26 1pla s VAL 21 Ca 0.44 -1.66 -0.20 0.00 -1.81 0.00 0.00 61.98 58.74 1pla s VAL 21 Cb -0.11 -2.27 -0.09 0.00 0.56 0.00 0.00 36.38 34.46 1pla s VAL 21 CO 0.25 -0.05 0.80 0.00 -0.31 0.00 0.00 175.10 175.79 1pla s ALA 22 N -4.07 3.30 -0.81 1.32 0.00 -1.26 -0.85 121.76 119.40 1pla s ALA 22 Ca 0.29 0.24 -0.22 0.00 0.00 0.00 0.00 51.96 52.27 1pla s ALA 22 Cb 0.03 -2.93 -0.15 0.00 0.00 0.00 0.00 23.12 20.07 1pla s ALA 22 CO 0.09 0.27 1.92 0.00 0.00 0.00 0.00 175.76 178.04 1pla n ALA 23 N 0.25 3.08 0.00 0.00 0.00 -1.26 -2.04 120.51 120.55 1pla n ALA 23 Ca 0.01 -3.27 0.00 0.00 0.00 0.00 0.00 53.44 50.18 1pla n ALA 23 Cb 0.52 -3.62 0.00 0.00 0.00 0.00 0.00 19.45 16.34 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 4.69 0.00 3.85 0.00 0.00 -1.25 -4.83 105.19 107.66 1pla n GLY 24 Ca 0.49 0.00 -0.33 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 3.27 0.05 1.61 2.56 -0.87 -5.08 118.70 120.24 1pla s GLU 25 Ca 0.00 -0.40 -0.25 0.00 0.00 0.00 0.00 54.97 54.33 1pla s GLU 25 Cb 0.00 -2.99 -0.06 0.00 2.00 0.00 0.00 34.13 33.08 1pla s GLU 25 CO 0.00 0.66 0.76 0.15 -0.56 0.00 0.00 175.26 176.27 1pla s LYS 26 N -1.86 4.49 -0.22 4.30 1.02 -1.26 -4.55 119.74 121.66 1pla s LYS 26 Ca 0.25 1.05 -0.01 0.00 0.02 0.00 0.00 55.97 57.28 1pla s LYS 26 Cb -0.12 -3.36 0.01 0.00 -0.52 0.00 0.00 37.83 33.84 1pla s LYS 26 CO 0.17 0.30 -0.10 0.42 -0.92 0.00 0.00 175.35 175.22 1pla s ILE 27 N -0.12 2.73 -0.21 2.17 1.09 -0.95 -4.27 121.20 121.64 1pla s ILE 27 Ca 0.38 -0.84 -0.04 0.00 -1.10 0.00 0.00 60.65 59.05 1pla s ILE 27 Cb -0.20 -2.27 -0.01 0.00 -1.06 0.00 0.00 42.46 38.91 1pla s ILE 27 CO 0.23 0.39 -0.02 0.42 -0.10 0.00 0.00 174.94 175.85 1pla s THR 28 N 1.36 3.59 -0.44 2.92 -4.23 -1.05 -1.58 115.64 116.21 1pla s THR 28 Ca 0.03 -0.42 -0.25 0.00 -1.18 0.00 0.00 61.69 59.87 1pla s THR 28 Cb -0.15 -2.63 0.02 0.00 1.34 0.00 0.00 72.50 71.08 1pla s THR 28 CO -0.07 0.42 0.92 -0.36 -0.54 0.00 0.00 174.62 174.99 1pla s PHE 29 N 1.34 2.96 -0.14 3.99 0.08 0.11 -1.46 117.98 124.85 1pla s PHE 29 Ca 0.04 0.48 -0.03 0.00 0.12 0.00 0.00 56.93 57.54 1pla s PHE 29 Cb -0.14 -3.89 -0.03 0.00 -0.57 0.00 0.00 43.02 38.39 1pla s PHE 29 CO -0.01 -1.03 -0.05 0.21 -0.10 0.00 0.00 175.22 174.24 1pla s LYS 30 N 3.68 3.49 -0.30 0.44 2.20 0.85 -1.50 119.74 128.60 1pla s LYS 30 Ca 0.37 -0.54 -0.20 0.00 -0.36 0.00 0.00 55.97 55.23 1pla s LYS 30 Cb -0.11 -2.83 -0.01 0.00 -1.51 0.00 0.00 37.83 33.38 1pla s LYS 30 CO 0.24 0.31 0.64 -0.80 -0.36 0.00 0.00 175.35 175.38 1pla s ASN 31 N 0.16 6.51 -0.18 1.43 -0.87 -1.11 -0.16 114.94 120.72 1pla s ASN 31 Ca -0.02 0.44 0.17 0.00 -1.57 0.00 0.00 52.86 51.88 1pla s ASN 31 Cb -0.14 -2.34 -0.24 0.00 -0.02 0.00 0.00 41.25 38.51 1pla s ASN 31 CO 0.03 -0.49 0.08 -0.46 -2.57 0.00 0.00 177.10 173.70 1pla n ASN 32 N 5.90 0.25 0.00 -1.22 6.94 -1.20 -3.51 115.26 122.42 1pla n ASN 32 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.55 1pla n ASN 32 Cb 0.49 1.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.93 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 -2.69 0.00 0.00 -2.53 0.00 -1.23 -4.96 120.51 109.10 1pla n ALA 33 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1pla n ALA 33 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.55 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 -0.22 1.21 3.18 0.00 0.00 -1.26 -4.17 105.19 103.92 1pla n GLY 34 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1pla n GLY 34 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pla n PHE 35 N 0.00 -2.80 -2.59 1.61 -1.74 -1.26 -4.62 117.46 106.06 1pla n PHE 35 Ca 0.00 0.19 -0.40 0.00 -0.56 0.00 0.00 57.45 56.68 1pla n PHE 35 Cb 0.00 -1.56 -0.05 0.00 1.52 0.00 0.00 39.48 39.40 1pla n PHE 35 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1pla s PRO 36 N -2.75 4.70 0.59 3.97 0.04 -1.26 -5.08 135.00 135.20 1pla s PRO 36 Ca 0.47 1.66 0.09 0.00 0.04 0.00 0.00 61.00 63.26 1pla s PRO 36 Cb -0.13 -3.25 0.09 0.00 0.04 0.00 0.00 34.50 31.24 1pla s PRO 36 CO 0.73 0.26 0.73 -1.01 0.04 0.00 0.00 177.00 177.75 1pla s HIS 37 N -0.82 1.27 -0.22 0.56 3.76 -0.85 -4.88 115.29 114.11 1pla s HIS 37 Ca 0.45 -0.80 -0.26 0.00 -0.15 0.00 0.00 55.06 54.30 1pla s HIS 37 Cb -0.29 -2.12 0.07 0.00 1.11 0.00 0.00 32.58 31.35 1pla s HIS 37 CO 0.36 -1.10 0.70 1.21 -0.85 0.00 0.00 174.74 175.06 1pla s ASN 38 N -4.62 -0.71 -0.11 1.40 2.47 -1.26 -2.95 114.94 109.16 1pla s ASN 38 Ca 0.56 1.27 -0.02 0.00 0.42 0.00 0.00 52.86 55.08 1pla s ASN 38 Cb -0.05 1.25 0.04 0.00 -1.45 0.00 0.00 41.25 41.04 1pla s ASN 38 CO 0.35 -0.32 0.01 -0.63 -3.72 0.00 0.00 177.10 172.79 1pla s ILE 39 N 0.04 0.43 0.02 -5.21 1.09 -1.26 -3.80 121.20 112.52 1pla s ILE 39 Ca -0.02 -0.08 0.00 0.00 -1.10 0.00 0.00 60.65 59.45 1pla s ILE 39 Cb -0.04 -0.69 -0.02 0.00 -1.06 0.00 0.00 42.46 40.65 1pla s ILE 39 CO 0.03 0.13 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.27 1pla s VAL 40 N 1.93 0.19 -0.15 2.92 1.01 -1.05 -1.32 120.40 123.95 1pla s VAL 40 Ca 0.03 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 1pla s VAL 40 Cb -0.14 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 1pla s VAL 40 CO -0.06 -0.49 0.16 -0.36 0.00 0.00 0.00 175.10 174.35 1pla s PHE 41 N -1.50 3.52 -0.51 5.22 0.40 -1.26 -2.42 117.98 121.43 1pla s PHE 41 Ca -0.14 0.48 -0.27 0.00 -0.60 0.00 0.00 56.93 56.39 1pla s PHE 41 Cb -0.10 -2.08 -0.01 0.00 0.51 0.00 0.00 43.02 41.34 1pla s PHE 41 CO -0.01 0.51 1.74 0.34 0.70 0.00 0.00 175.22 178.50 1pla s ASP 42 N -0.34 5.66 0.00 1.36 2.15 -0.85 -4.81 116.67 119.83 1pla s ASP 42 Ca 0.13 0.65 0.00 0.00 0.43 0.00 0.00 52.55 53.75 1pla s ASP 42 Cb -0.12 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1pla s ASP 42 CO 0.02 -2.01 0.36 -1.84 -0.17 0.00 0.00 175.17 171.53 1pla n GLU 43 N 8.81 0.42 0.00 4.34 -0.00 -1.26 -2.47 120.64 130.48 1pla n GLU 43 Ca 0.20 0.00 0.05 0.00 -0.00 0.00 0.00 57.16 57.40 1pla n GLU 43 Cb 0.50 -1.27 -0.02 0.00 -0.00 0.00 0.00 31.44 30.65 1pla n GLU 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1pla n ASP 44 N 0.65 0.87 0.00 -1.84 8.00 -1.26 -4.67 116.55 118.30 1pla n ASP 44 Ca 0.00 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.57 1pla n ASP 44 Cb 0.18 0.70 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 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 -0.68 0.00 -2.20 -1.24 -0.58 -1.03 -5.09 120.64 109.82 1pla n GLU 45 Ca 0.03 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.39 1pla n GLU 45 Cb 0.18 -0.35 -0.01 0.00 -0.57 0.00 0.00 31.44 30.70 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 2.95 0.94 2.62 1.01 -1.22 -4.81 120.40 121.90 1pla s VAL 46 Ca 0.00 0.77 -0.10 0.00 0.00 0.00 0.00 61.98 62.64 1pla s VAL 46 Cb 0.00 -3.42 0.14 0.00 0.00 0.00 0.00 36.38 33.11 1pla s VAL 46 CO 0.00 0.04 1.05 -0.81 0.00 0.00 0.00 175.10 175.38 1pla n PRO 47 N -0.22 -0.56 -2.56 2.72 -0.04 -1.26 -4.96 135.00 128.13 1pla n PRO 47 Ca 0.06 -0.10 -0.37 0.00 -0.04 0.00 0.00 63.50 63.05 1pla n PRO 47 Cb 0.46 -2.31 -0.04 0.00 -0.04 0.00 0.00 33.50 31.58 1pla n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pla s ALA 48 N -2.60 3.14 0.00 0.55 0.00 -1.26 -3.75 121.76 117.84 1pla s ALA 48 Ca 0.66 0.70 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1pla s ALA 48 Cb -0.23 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1pla s ALA 48 CO 0.59 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.60 1pla n GLY 49 N 0.45 2.42 3.57 0.00 0.00 -1.26 -4.92 105.19 105.45 1pla n GLY 49 Ca 0.04 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 3.42 0.74 1.61 1.01 -1.25 -4.92 120.40 121.01 1pla s VAL 50 Ca 0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 1pla s VAL 50 Cb 0.00 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 1pla s VAL 50 CO 0.00 -0.84 -0.03 0.59 0.00 0.00 0.00 175.10 174.83 1pla n ASN 51 N 14.75 -3.27 -0.02 3.32 4.13 -1.26 -4.71 115.26 128.20 1pla n ASN 51 Ca 0.42 0.49 -0.00 0.00 1.68 0.00 0.00 54.58 57.17 1pla n ASN 51 Cb 0.46 -0.98 -0.12 0.00 -1.54 0.00 0.00 39.78 37.60 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 -2.20 2.01 0.53 5.41 0.00 -1.26 -4.06 120.51 120.94 1pla n ALA 52 Ca 0.06 -0.77 0.13 0.00 0.00 0.00 0.00 53.44 52.86 1pla n ALA 52 Cb 0.51 -0.69 0.32 0.00 0.00 0.00 0.00 19.45 19.59 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 0.00 0.00 0.00 0.00 5.08 -1.92 -2.10 114.58 115.64 1pla h GLU 53 Ca -0.24 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 1pla h GLU 53 Cb 1.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.89 1pla h GLU 53 CO 0.03 0.00 -0.15 -0.22 -1.00 0.00 0.00 179.01 177.67 1pla h LYS 54 N 0.00 0.00 0.00 2.33 3.64 -1.95 -3.32 116.57 117.27 1pla h LYS 54 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pla h LYS 54 Cb 0.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1pla h LYS 54 CO 0.00 0.15 -1.37 0.44 -2.27 0.00 0.00 179.45 176.40 1pla n ILE 55 N -3.15 0.00 -1.87 2.00 -5.35 -1.21 -5.02 119.36 104.76 1pla n ILE 55 Ca 0.03 -0.23 -0.29 0.00 -0.27 0.00 0.00 62.75 61.99 1pla n ILE 55 Cb 0.57 0.33 0.09 0.00 -1.74 0.00 0.00 39.64 38.90 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 -3.03 4.51 -0.45 7.28 0.01 -0.79 -4.97 113.70 116.25 1pla s SER 56 Ca -0.03 0.83 0.07 0.00 1.31 0.00 0.00 55.95 58.12 1pla s SER 56 Cb 0.06 -1.36 0.22 0.00 0.21 0.00 0.00 66.02 65.16 1pla s SER 56 CO 0.41 -1.91 0.65 0.00 0.41 0.00 0.00 173.24 172.80 1pla n GLN 57 N -3.33 0.62 0.18 12.44 0.00 -0.43 -4.94 117.38 121.92 1pla n GLN 57 Ca 0.08 -2.52 0.17 0.00 0.00 0.00 0.00 57.00 54.73 1pla n GLN 57 Cb 0.60 -1.41 0.80 0.00 0.00 0.00 0.00 30.24 30.23 1pla n GLN 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 1pla h PRO 58 N 4.43 0.00 -5.61 2.61 0.11 -1.97 -3.37 132.00 128.19 1pla h PRO 58 Ca 0.03 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.62 1pla h PRO 58 Cb 0.97 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1pla h PRO 58 CO 0.33 0.00 1.61 -0.85 -0.21 0.00 0.00 178.00 178.88 1pla n GLU 59 N -3.92 1.00 -0.95 1.05 0.00 -1.26 -4.86 120.64 111.68 1pla n GLU 59 Ca 0.02 0.11 -0.36 0.00 0.00 0.00 0.00 57.16 56.93 1pla n GLU 59 Cb 0.34 -2.96 0.06 0.00 0.00 0.00 0.00 31.44 28.88 1pla n GLU 59 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1pla n TYR 60 N 13.62 -3.94 -3.89 -1.84 4.02 -1.26 -4.96 117.16 118.91 1pla n TYR 60 Ca 0.42 0.11 -0.11 0.00 -0.01 0.00 0.00 57.90 58.31 1pla n TYR 60 Cb 0.40 -1.49 -0.11 0.00 -0.02 0.00 0.00 39.34 38.13 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 6.19 1.71 0.00 7.72 0.05 -1.15 -5.03 118.68 128.17 1pla s LEU 61 Ca 0.43 -0.18 0.02 0.00 0.05 0.00 0.00 54.13 54.45 1pla s LEU 61 Cb -0.14 0.48 0.03 0.00 -2.05 0.00 0.00 46.19 44.51 1pla s LEU 61 CO 0.77 -0.28 0.90 -0.46 -0.55 0.00 0.00 176.35 176.73 1pla n ASN 62 N 1.82 0.05 -4.66 1.48 0.23 -1.26 -2.00 115.26 110.93 1pla n ASN 62 Ca -0.21 -1.77 -0.43 0.00 -0.53 0.00 0.00 54.58 51.64 1pla n ASN 62 Cb 0.56 -0.15 -0.02 0.00 -2.08 0.00 0.00 39.78 38.09 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 -0.85 1.65 -0.49 4.83 0.00 -1.26 -4.95 107.32 106.25 1pla s GLY 63 Ca 0.03 0.28 -0.28 0.00 0.00 0.00 0.00 44.72 44.74 1pla s GLY 63 CO -0.01 2.34 1.58 0.00 0.00 0.00 0.00 173.10 177.01 1pla s ALA 64 N 3.42 2.75 0.00 3.20 0.00 -1.26 -1.90 121.76 127.97 1pla s ALA 64 Ca 0.49 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1pla s ALA 64 Cb -0.18 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 18.85 1pla s ALA 64 CO 0.11 -2.94 0.00 0.41 0.00 0.00 0.00 175.76 173.34 1pla n GLY 65 N 5.34 0.56 3.76 0.00 0.00 -1.23 -5.07 105.19 108.55 1pla n GLY 65 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 2.64 0.22 1.61 0.41 -0.80 -4.69 118.70 117.33 1pla s GLU 66 Ca 0.00 1.47 -0.05 0.00 -0.41 0.00 0.00 54.97 55.98 1pla s GLU 66 Cb 0.00 -1.92 -0.03 0.00 -1.78 0.00 0.00 34.13 30.40 1pla s GLU 66 CO 0.00 -1.39 0.24 0.95 -0.49 0.00 0.00 175.26 174.58 1pla s THR 67 N -2.26 0.00 0.01 3.63 -4.23 -1.26 -2.74 115.64 108.79 1pla s THR 67 Ca 0.68 -1.81 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 1pla s THR 67 Cb -0.22 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 1pla s THR 67 CO 0.42 0.00 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.97 1pla s TYR 68 N -4.11 0.60 0.13 3.99 6.14 -0.56 -4.93 117.35 118.60 1pla s TYR 68 Ca 0.34 -0.20 0.08 0.00 0.64 0.00 0.00 57.07 57.92 1pla s TYR 68 Cb 0.04 -0.38 -0.04 0.00 0.42 0.00 0.00 41.96 42.01 1pla s TYR 68 CO 0.11 -0.02 -0.11 -1.21 0.64 0.00 0.00 175.55 174.96 1pla s GLU 69 N -0.51 2.06 -0.20 4.97 2.02 -1.26 0.05 118.70 125.83 1pla s GLU 69 Ca -0.00 -1.11 -0.12 0.00 0.02 0.00 0.00 54.97 53.75 1pla s GLU 69 Cb -0.04 -2.24 0.06 0.00 0.10 0.00 0.00 34.13 32.01 1pla s GLU 69 CO -0.00 0.48 0.49 0.54 0.02 0.00 0.00 175.26 176.79 1pla s VAL 70 N -1.34 -0.01 -0.45 2.63 0.11 -0.62 -4.99 120.40 115.74 1pla s VAL 70 Ca 0.22 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.35 1pla s VAL 70 Cb -0.10 -0.71 0.12 0.00 -1.53 0.00 0.00 36.38 34.16 1pla s VAL 70 CO 0.14 0.02 0.19 -0.89 -3.33 0.00 0.00 175.10 171.23 1pla s THR 71 N 1.22 2.59 0.58 5.04 2.01 -1.26 -2.23 115.64 123.59 1pla s THR 71 Ca -0.08 -2.85 -0.13 0.00 0.31 0.00 0.00 61.69 58.94 1pla s THR 71 Cb -0.07 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 1pla s THR 71 CO -0.12 -0.72 1.01 -0.76 -0.69 0.00 0.00 174.62 173.35 1pla s LEU 72 N 0.27 3.38 -0.38 4.42 1.43 -1.26 -4.98 118.68 121.55 1pla s LEU 72 Ca 0.14 1.49 0.12 0.00 -1.03 0.00 0.00 54.13 54.85 1pla s LEU 72 Cb -0.23 -4.49 0.40 0.00 0.03 0.00 0.00 46.19 41.91 1pla s LEU 72 CO -0.04 -0.79 1.11 0.35 0.23 0.00 0.00 176.35 177.21 1pla n THR 73 N -2.30 0.32 -3.33 5.49 -2.24 -1.26 -3.80 114.28 107.15 1pla n THR 73 Ca 0.06 -2.42 -0.11 0.00 -2.27 0.00 0.00 64.05 59.31 1pla n THR 73 Cb 0.54 0.80 -0.07 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.26 0.41 -0.55 -0.78 2.12 -1.26 -5.01 118.70 112.37 1pla s GLU 74 Ca 0.26 0.00 -0.42 0.00 0.36 0.00 0.00 54.97 55.17 1pla s GLU 74 Cb 0.40 -0.41 -0.19 0.00 0.26 0.00 0.00 34.13 34.19 1pla s GLU 74 CO -0.04 -1.05 2.18 0.36 -0.54 0.00 0.00 175.26 176.18 1pla n LYS 75 N 5.28 0.00 0.00 4.30 2.85 -1.26 -4.65 118.16 124.68 1pla n LYS 75 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1pla n LYS 75 Cb 0.48 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 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 7.35 -0.83 2.83 2.58 0.00 -0.78 -4.94 105.19 111.40 1pla n GLY 76 Ca 0.56 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.06 0.30 2.61 2.01 -1.26 -1.65 115.64 113.60 1pla s THR 77 Ca 0.00 0.20 0.11 0.00 0.31 0.00 0.00 61.69 62.31 1pla s THR 77 Cb 0.00 -0.15 -0.05 0.00 0.01 0.00 0.00 72.50 72.31 1pla s THR 77 CO 0.00 0.08 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.55 1pla s TYR 78 N 1.12 2.35 -0.05 4.92 1.51 -0.99 -4.41 117.35 121.79 1pla s TYR 78 Ca -0.09 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.62 1pla s TYR 78 Cb -0.12 -1.13 0.01 0.00 -0.11 0.00 0.00 41.96 40.61 1pla s TYR 78 CO -0.04 0.67 -0.12 0.15 -1.11 0.00 0.00 175.55 175.09 1pla s LYS 79 N -3.55 1.56 0.05 -0.62 1.02 -1.26 -2.63 119.74 114.32 1pla s LYS 79 Ca 0.31 -0.42 -0.00 0.00 0.02 0.00 0.00 55.97 55.87 1pla s LYS 79 Cb -0.03 -1.33 -0.04 0.00 -0.52 0.00 0.00 37.83 35.92 1pla s LYS 79 CO 0.16 0.08 -0.04 -0.59 -0.92 0.00 0.00 175.35 174.04 1pla s PHE 80 N 0.47 0.56 0.11 3.18 -0.71 0.56 -2.01 117.98 120.13 1pla s PHE 80 Ca -0.11 -0.98 -0.11 0.00 -1.04 0.00 0.00 56.93 54.70 1pla s PHE 80 Cb -0.14 -0.39 0.04 0.00 -1.21 0.00 0.00 43.02 41.32 1pla s PHE 80 CO 0.03 -0.32 0.52 2.48 -1.34 0.00 0.00 175.22 176.59 1pla n TYR 81 N 0.27 -1.05 -3.91 3.49 4.11 -1.01 0.21 117.16 119.27 1pla n TYR 81 Ca -0.15 -0.69 -0.35 0.00 -0.00 0.00 0.00 57.90 56.71 1pla n TYR 81 Cb 0.60 0.34 -0.14 0.00 -0.00 0.00 0.00 39.34 40.14 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 8.11 0.85 -0.07 0.00 4.81 -1.91 0.72 114.58 127.10 1pla h GLU 83 Ca -0.41 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 58.55 1pla h GLU 83 Cb 1.16 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1pla h GLU 83 CO 0.60 0.85 -0.06 -1.00 -0.73 0.00 0.00 179.01 178.67 1pla h PRO 84 N 0.73 0.17 -0.39 0.92 0.14 -1.93 -3.14 132.00 128.49 1pla h PRO 84 Ca 0.15 -0.09 0.00 0.00 0.14 0.00 0.00 66.00 66.20 1pla h PRO 84 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.57 1pla h PRO 84 CO 0.01 0.59 0.00 0.72 0.14 0.00 0.00 178.00 179.47 1pla n HIS 85 N -4.72 0.52 -0.21 1.56 8.25 -1.23 -4.21 115.22 115.18 1pla n HIS 85 Ca -0.07 -0.26 0.14 0.00 -0.26 0.00 0.00 57.72 57.28 1pla n HIS 85 Cb 0.29 -0.01 0.45 0.00 1.12 0.00 0.00 29.99 31.85 1pla n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pla h ALA 86 N 3.66 2.01 0.00 -1.41 0.00 -0.80 0.51 119.26 123.23 1pla h ALA 86 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pla h ALA 86 Cb 0.53 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pla h ALA 86 CO 0.01 -0.23 -0.01 0.78 0.00 0.00 0.00 179.25 179.80 1pla h GLY 87 N 0.53 0.00 1.47 0.00 0.00 -1.82 0.55 103.07 103.80 1pla h GLY 87 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1pla h GLY 87 CO -0.16 0.00 -0.46 0.00 0.00 0.00 0.00 176.54 175.93 1pla h ALA 88 N 1.99 0.73 0.00 3.60 0.00 -0.28 -3.47 119.26 121.83 1pla h ALA 88 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pla h ALA 88 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1pla h ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1pla n GLY 89 N 1.24 1.42 3.56 0.00 0.00 0.18 -4.98 105.19 106.60 1pla n GLY 89 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.36 3.03 0.10 1.61 0.00 -1.21 -4.84 119.30 117.64 1pla s MET 90 Ca 0.00 0.17 0.09 0.00 0.00 0.00 0.00 55.69 55.95 1pla s MET 90 Cb 0.00 -4.24 -0.04 0.00 0.00 0.00 0.00 34.83 30.56 1pla s MET 90 CO 0.00 -2.30 -0.22 0.21 0.00 0.00 0.00 175.02 172.71 1pla s LYS 91 N 6.12 1.18 0.03 4.11 2.20 -1.26 -2.68 119.74 129.44 1pla s LYS 91 Ca 0.49 -1.18 0.01 0.00 -0.36 0.00 0.00 55.97 54.94 1pla s LYS 91 Cb -0.10 -1.47 -0.02 0.00 -1.51 0.00 0.00 37.83 34.73 1pla s LYS 91 CO 0.19 0.35 -0.05 0.20 -0.36 0.00 0.00 175.35 175.67 1pla s GLY 92 N -1.88 0.37 -0.05 5.54 0.00 0.55 -4.42 107.32 107.42 1pla s GLY 92 Ca 0.08 -0.64 -0.24 0.00 0.00 0.00 0.00 44.72 43.92 1pla s GLY 92 CO 0.04 -0.69 0.53 -0.54 0.00 0.00 0.00 173.10 172.44 1pla s GLU 93 N -1.40 0.87 -0.03 2.90 2.02 -0.92 -0.32 118.70 121.82 1pla s GLU 93 Ca -0.11 0.15 -0.00 0.00 0.02 0.00 0.00 54.97 55.03 1pla s GLU 93 Cb -0.09 0.40 0.03 0.00 0.10 0.00 0.00 34.13 34.57 1pla s GLU 93 CO -0.00 -0.25 0.02 0.54 0.02 0.00 0.00 175.26 175.59 1pla s VAL 94 N -1.07 0.03 -0.53 2.63 0.11 -1.08 -2.57 120.40 117.92 1pla s VAL 94 Ca -0.11 0.18 -0.11 0.00 -2.93 0.00 0.00 61.98 59.02 1pla s VAL 94 Cb -0.02 -0.17 0.13 0.00 -1.53 0.00 0.00 36.38 34.79 1pla s VAL 94 CO 0.07 0.12 0.43 -0.89 -3.33 0.00 0.00 175.10 171.49 1pla s THR 95 N 1.16 4.55 0.45 5.04 2.01 -0.91 -2.36 115.64 125.58 1pla s THR 95 Ca -0.08 -1.85 -0.20 0.00 0.31 0.00 0.00 61.69 59.87 1pla s THR 95 Cb -0.13 -3.95 -0.10 0.00 0.01 0.00 0.00 72.50 68.33 1pla s THR 95 CO -0.03 -0.83 0.97 -0.69 -0.69 0.00 0.00 174.62 173.36 1pla s VAL 96 N 1.23 4.31 -0.85 3.82 1.01 -0.66 -1.83 120.40 127.42 1pla s VAL 96 Ca 0.07 1.39 0.07 0.00 0.00 0.00 0.00 61.98 63.50 1pla s VAL 96 Cb -0.25 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1pla s VAL 96 CO -0.01 -0.36 0.71 0.59 0.00 0.00 0.00 175.10 176.04