#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 3.38 0.03 0.00 8.01 -1.26 -1.94 118.70 126.91 1pla s GLU 2 Ca 0.00 -0.36 0.08 0.00 0.01 0.00 0.00 54.97 54.70 1pla s GLU 2 Cb 0.00 -2.98 -0.03 0.00 -4.31 0.00 0.00 34.13 26.81 1pla s GLU 2 CO 0.00 0.56 -0.22 0.08 0.01 0.00 0.00 175.26 175.70 1pla s VAL 3 N -0.47 2.48 -0.33 2.63 1.01 -0.56 -4.55 120.40 120.60 1pla s VAL 3 Ca 0.09 -1.21 -0.03 0.00 0.00 0.00 0.00 61.98 60.84 1pla s VAL 3 Cb -0.12 -1.99 0.06 0.00 0.00 0.00 0.00 36.38 34.33 1pla s VAL 3 CO 0.02 0.40 0.07 -0.54 0.00 0.00 0.00 175.10 175.05 1pla s LYS 4 N -1.19 2.36 -0.40 2.72 1.02 0.97 -0.14 119.74 125.08 1pla s LYS 4 Ca 0.13 -1.38 -0.29 0.00 0.02 0.00 0.00 55.97 54.45 1pla s LYS 4 Cb -0.10 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1pla s LYS 4 CO 0.03 -0.74 1.42 -0.51 -0.92 0.00 0.00 175.35 174.64 1pla s LEU 5 N 1.25 3.60 0.00 3.17 1.02 -0.62 -2.67 118.68 124.43 1pla s LEU 5 Ca -0.01 0.87 0.00 0.00 0.02 0.00 0.00 54.13 55.01 1pla s LEU 5 Cb -0.20 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.47 1pla s LEU 5 CO -0.01 -1.43 0.00 0.61 0.02 0.00 0.00 176.35 175.54 1pla n GLY 6 N 5.05 1.92 3.76 -3.19 0.00 -1.05 -2.23 105.19 109.46 1pla n GLY 6 Ca 0.17 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 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 7.39 0.64 1.61 1.04 -0.67 -4.38 113.70 119.32 1pla s SER 7 Ca 0.00 2.01 0.17 0.00 0.48 0.00 0.00 55.95 58.61 1pla s SER 7 Cb 0.00 -2.60 0.81 0.00 0.10 0.00 0.00 66.02 64.32 1pla s SER 7 CO 0.00 -0.04 1.42 0.44 0.98 0.00 0.00 173.24 176.04 1pla h ASP 8 N 3.65 0.00 0.00 7.02 3.32 -1.92 -3.32 116.42 125.17 1pla h ASP 8 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1pla h ASP 8 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1pla h ASP 8 CO 0.66 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.28 1pla n ASP 9 N -2.88 0.00 0.04 6.45 5.68 -1.26 -5.07 116.55 119.51 1pla n ASP 9 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 1pla n ASP 9 Cb 0.88 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 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 -1.87 0.00 6.12 0.00 -1.25 -5.17 105.19 103.01 1pla n GLY 10 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.42 1.49 3.42 -0.02 0.00 -1.26 -5.03 105.19 102.38 1pla n GLY 11 Ca 0.00 -0.90 -0.44 0.00 0.00 0.00 0.00 46.02 44.68 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 5.37 0.05 0.99 1.43 -1.26 -1.67 118.68 123.59 1pla s LEU 12 Ca 0.00 -1.12 -0.14 0.00 -1.03 0.00 0.00 54.13 51.84 1pla s LEU 12 Cb 0.00 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 44.03 1pla s LEU 12 CO 0.00 -0.60 0.30 0.68 0.23 0.00 0.00 176.35 176.96 1pla s VAL 13 N 1.76 0.09 -0.50 -1.59 -7.23 -1.26 -4.40 120.40 107.27 1pla s VAL 13 Ca 0.06 -0.71 -0.29 0.00 -1.81 0.00 0.00 61.98 59.23 1pla s VAL 13 Cb -0.22 -0.99 0.02 0.00 0.56 0.00 0.00 36.38 35.76 1pla s VAL 13 CO 0.09 -0.39 1.24 -0.36 -0.31 0.00 0.00 175.10 175.37 1pla s PHE 14 N -2.76 2.61 -0.31 2.82 0.40 -1.26 -2.52 117.98 116.97 1pla s PHE 14 Ca -0.03 0.60 -0.03 0.00 -0.60 0.00 0.00 56.93 56.86 1pla s PHE 14 Cb -0.00 -4.43 0.04 0.00 0.51 0.00 0.00 43.02 39.14 1pla s PHE 14 CO -0.05 -1.58 0.02 -1.12 0.70 0.00 0.00 175.22 173.20 1pla s SER 15 N 3.13 4.97 1.19 1.36 0.01 -1.09 -0.76 113.70 122.50 1pla s SER 15 Ca 0.50 -1.18 -0.17 0.00 1.31 0.00 0.00 55.95 56.41 1pla s SER 15 Cb -0.09 -1.76 0.28 0.00 0.21 0.00 0.00 66.02 64.66 1pla s SER 15 CO 0.30 -0.26 1.06 -2.16 0.41 0.00 0.00 173.24 172.58 1pla s PRO 16 N 1.31 -1.08 -0.06 12.44 0.05 -1.26 -0.02 135.00 146.38 1pla s PRO 16 Ca -0.04 0.25 -0.05 0.00 0.05 0.00 0.00 61.00 61.21 1pla s PRO 16 Cb -0.19 -1.58 -0.02 0.00 0.05 0.00 0.00 34.50 32.75 1pla s PRO 16 CO -0.00 -3.68 -0.10 -1.13 0.05 0.00 0.00 177.00 172.13 1pla n SER 17 N -4.80 0.74 -4.38 6.66 3.41 0.06 -4.85 113.62 110.46 1pla n SER 17 Ca 0.09 0.26 -0.33 0.00 -0.26 0.00 0.00 58.87 58.64 1pla n SER 17 Cb 0.58 -0.62 -0.14 0.00 -0.26 0.00 0.00 64.21 63.77 1pla n SER 17 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1pla s SER 18 N -4.57 3.89 -0.24 4.04 0.15 -1.26 -2.18 113.70 113.53 1pla s SER 18 Ca -0.09 -0.33 -0.20 0.00 0.70 0.00 0.00 55.95 56.04 1pla s SER 18 Cb 0.01 -1.38 0.06 0.00 -1.71 0.00 0.00 66.02 63.01 1pla s SER 18 CO 0.13 0.21 0.62 0.72 1.20 0.00 0.00 173.24 176.11 1pla s PHE 19 N 0.08 -0.73 0.61 3.44 -0.71 -1.01 -5.00 117.98 114.66 1pla s PHE 19 Ca -0.06 1.71 -0.09 0.00 -1.04 0.00 0.00 56.93 57.44 1pla s PHE 19 Cb -0.15 0.30 -0.02 0.00 -1.21 0.00 0.00 43.02 41.94 1pla s PHE 19 CO 0.05 -0.36 0.98 0.95 -1.34 0.00 0.00 175.22 175.50 1pla s THR 20 N 0.60 4.30 0.13 -4.49 -4.23 -1.26 -2.27 115.64 108.42 1pla s THR 20 Ca -0.02 0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 60.91 1pla s THR 20 Cb -0.05 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.08 1pla s THR 20 CO -0.03 -0.87 0.29 0.68 -0.54 0.00 0.00 174.62 174.15 1pla s VAL 21 N -3.11 0.09 0.31 2.29 -7.23 -0.07 -4.81 120.40 107.87 1pla s VAL 21 Ca 0.54 -1.14 -0.27 0.00 -1.81 0.00 0.00 61.98 59.30 1pla s VAL 21 Cb -0.11 -1.53 -0.09 0.00 0.56 0.00 0.00 36.38 35.21 1pla s VAL 21 CO 0.50 -0.41 1.02 0.00 -0.31 0.00 0.00 175.10 175.90 1pla s ALA 22 N -3.90 3.26 -0.86 1.32 0.00 -1.26 -0.52 121.76 119.80 1pla s ALA 22 Ca 0.10 0.70 -0.26 0.00 0.00 0.00 0.00 51.96 52.50 1pla s ALA 22 Cb 0.03 -3.25 -0.21 0.00 0.00 0.00 0.00 23.12 19.68 1pla s ALA 22 CO -0.06 -0.02 1.94 0.00 0.00 0.00 0.00 175.76 177.62 1pla n ALA 23 N 0.77 1.17 0.00 0.00 0.00 -1.15 -1.45 120.51 119.86 1pla n ALA 23 Ca 0.01 -2.68 0.00 0.00 0.00 0.00 0.00 53.44 50.77 1pla n ALA 23 Cb 0.48 -3.50 0.00 0.00 0.00 0.00 0.00 19.45 16.43 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 5.61 -0.01 3.91 0.00 0.00 -1.24 -4.92 105.19 108.54 1pla n GLY 24 Ca 0.44 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.26 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 3.08 0.16 1.61 2.12 -0.53 -5.05 118.70 120.09 1pla s GLU 25 Ca 0.00 -1.01 -0.04 0.00 0.36 0.00 0.00 54.97 54.28 1pla s GLU 25 Cb 0.00 -2.71 -0.05 0.00 0.26 0.00 0.00 34.13 31.63 1pla s GLU 25 CO 0.00 0.26 0.38 0.15 -0.54 0.00 0.00 175.26 175.51 1pla s LYS 26 N -4.00 3.60 -0.30 4.30 1.02 -1.26 -4.13 119.74 118.97 1pla s LYS 26 Ca 0.38 -0.12 0.02 0.00 0.02 0.00 0.00 55.97 56.27 1pla s LYS 26 Cb -0.08 -2.84 0.09 0.00 -0.52 0.00 0.00 37.83 34.48 1pla s LYS 26 CO 0.28 0.45 0.02 0.42 -0.92 0.00 0.00 175.35 175.60 1pla s ILE 27 N -1.71 1.75 -0.35 2.17 -1.09 0.25 -0.59 121.20 121.63 1pla s ILE 27 Ca 0.41 -1.78 -0.13 0.00 -2.23 0.00 0.00 60.65 56.92 1pla s ILE 27 Cb -0.12 -2.19 -0.01 0.00 -1.58 0.00 0.00 42.46 38.57 1pla s ILE 27 CO 0.26 -0.44 0.24 0.42 -1.23 0.00 0.00 174.94 174.19 1pla s THR 28 N 1.21 5.19 -0.19 2.92 -4.23 -0.82 -1.10 115.64 118.63 1pla s THR 28 Ca 0.05 -0.35 -0.26 0.00 -1.18 0.00 0.00 61.69 59.95 1pla s THR 28 Cb -0.19 -3.72 -0.01 0.00 1.34 0.00 0.00 72.50 69.93 1pla s THR 28 CO -0.11 -0.07 0.86 -0.36 -0.54 0.00 0.00 174.62 174.40 1pla s PHE 29 N 1.70 3.39 -0.16 3.99 0.40 -0.37 -1.50 117.98 125.42 1pla s PHE 29 Ca 0.06 1.27 0.01 0.00 -0.60 0.00 0.00 56.93 57.66 1pla s PHE 29 Cb -0.18 -3.06 0.02 0.00 0.51 0.00 0.00 43.02 40.31 1pla s PHE 29 CO 0.10 -0.31 -0.19 0.21 0.70 0.00 0.00 175.22 175.73 1pla s LYS 30 N 2.45 2.79 -0.27 0.44 2.20 0.80 -1.84 119.74 126.32 1pla s LYS 30 Ca 0.39 -0.76 -0.29 0.00 -0.36 0.00 0.00 55.97 54.95 1pla s LYS 30 Cb -0.16 -2.39 -0.02 0.00 -1.51 0.00 0.00 37.83 33.75 1pla s LYS 30 CO 0.11 -0.16 1.63 -0.80 -0.36 0.00 0.00 175.35 175.77 1pla s ASN 31 N 1.20 6.26 -0.16 1.43 0.02 -1.13 -1.59 114.94 120.97 1pla s ASN 31 Ca 0.01 1.45 0.19 0.00 -1.02 0.00 0.00 52.86 53.49 1pla s ASN 31 Cb -0.14 -2.53 -0.26 0.00 0.02 0.00 0.00 41.25 38.34 1pla s ASN 31 CO -0.09 -1.39 0.15 -3.20 0.02 0.00 0.00 177.10 172.60 1pla n ASN 32 N 8.93 0.08 0.00 -1.22 5.15 -1.00 -3.63 115.26 123.57 1pla n ASN 32 Ca 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1pla n ASN 32 Cb 0.46 1.20 0.00 0.00 -0.53 0.00 0.00 39.78 40.91 1pla n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pla n ALA 33 N -2.63 0.00 0.00 5.20 0.00 -0.94 -4.95 120.51 117.19 1pla n ALA 33 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1pla n ALA 33 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.47 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 -0.21 0.59 3.25 0.00 0.00 -1.26 -4.00 105.19 103.55 1pla n GLY 34 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.68 -2.39 -2.35 1.61 -1.74 -1.26 -4.68 117.46 104.97 1pla n PHE 35 Ca 0.00 0.19 -0.32 0.00 -0.56 0.00 0.00 57.45 56.75 1pla n PHE 35 Cb 0.00 -1.62 -0.03 0.00 1.52 0.00 0.00 39.48 39.35 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 -3.05 3.83 0.38 3.97 0.04 -1.26 -5.07 135.00 133.84 1pla s PRO 36 Ca 0.51 1.03 0.02 0.00 0.04 0.00 0.00 61.00 62.59 1pla s PRO 36 Cb -0.16 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.28 1pla s PRO 36 CO 0.71 -0.38 0.13 0.72 0.04 0.00 0.00 177.00 178.22 1pla n HIS 37 N -1.59 0.13 -3.16 0.56 8.25 -0.94 -4.95 115.22 113.52 1pla n HIS 37 Ca 0.07 -1.77 0.04 0.00 -0.26 0.00 0.00 57.72 55.80 1pla n HIS 37 Cb 0.54 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 31.36 1pla n HIS 37 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1pla s ASN 38 N -3.17 -1.38 -0.24 0.41 3.04 -1.26 -3.29 114.94 109.06 1pla s ASN 38 Ca 0.10 0.76 -0.18 0.00 0.04 0.00 0.00 52.86 53.57 1pla s ASN 38 Cb -0.01 2.12 -0.03 0.00 -1.54 0.00 0.00 41.25 41.80 1pla s ASN 38 CO 0.06 -0.27 0.54 -0.63 -3.04 0.00 0.00 177.10 173.76 1pla s ILE 39 N 2.85 5.07 0.01 -5.21 1.09 -1.26 -3.90 121.20 119.84 1pla s ILE 39 Ca 0.19 0.95 0.02 0.00 -1.10 0.00 0.00 60.65 60.71 1pla s ILE 39 Cb -0.14 -3.85 -0.01 0.00 -1.06 0.00 0.00 42.46 37.40 1pla s ILE 39 CO -0.22 0.10 -0.07 -0.69 -0.10 0.00 0.00 174.94 173.96 1pla s VAL 40 N 2.13 0.57 -0.25 2.92 1.01 -1.05 -2.40 120.40 123.33 1pla s VAL 40 Ca 0.23 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 1pla s VAL 40 Cb -0.16 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 1pla s VAL 40 CO 0.09 0.03 0.19 -0.36 0.00 0.00 0.00 175.10 175.05 1pla s PHE 41 N -0.44 3.30 -0.28 5.22 0.40 -1.26 -2.07 117.98 122.84 1pla s PHE 41 Ca 0.00 0.24 -0.29 0.00 -0.60 0.00 0.00 56.93 56.28 1pla s PHE 41 Cb -0.04 -2.32 -0.02 0.00 0.51 0.00 0.00 43.02 41.15 1pla s PHE 41 CO -0.00 0.00 1.72 0.34 0.70 0.00 0.00 175.22 177.98 1pla s ASP 42 N 1.22 6.11 0.00 1.36 2.15 0.15 -4.83 116.67 122.83 1pla s ASP 42 Ca 0.08 1.43 0.00 0.00 0.43 0.00 0.00 52.55 54.50 1pla s ASP 42 Cb -0.14 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1pla s ASP 42 CO 0.06 -1.51 0.49 -1.84 -0.17 0.00 0.00 175.17 172.20 1pla n GLU 43 N 8.11 0.63 0.00 4.34 0.28 -1.26 -2.62 120.64 130.12 1pla n GLU 43 Ca 0.21 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.27 1pla n GLU 43 Cb 0.46 -1.24 -0.04 0.00 1.43 0.00 0.00 31.44 32.04 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 0.46 0.90 -0.17 -1.84 8.00 -1.26 -4.57 116.55 118.07 1pla n ASP 44 Ca 0.00 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1pla n ASP 44 Cb 0.24 0.79 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 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 -0.85 0.00 -3.51 -1.24 1.02 -1.08 -5.09 120.64 109.89 1pla n GLU 45 Ca 0.03 -0.58 -0.35 0.00 -0.02 0.00 0.00 57.16 56.24 1pla n GLU 45 Cb 0.22 -0.43 -0.06 0.00 -0.02 0.00 0.00 31.44 31.15 1pla n GLU 45 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pla s VAL 46 N 0.00 5.02 0.53 2.62 1.01 -1.23 -4.42 120.40 123.93 1pla s VAL 46 Ca 0.00 0.60 -0.19 0.00 0.00 0.00 0.00 61.98 62.39 1pla s VAL 46 Cb 0.00 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 1pla s VAL 46 CO 0.00 0.32 0.59 -2.65 0.00 0.00 0.00 175.10 173.36 1pla n PRO 47 N 1.00 0.62 -2.08 2.72 -0.02 -1.26 -4.79 135.00 131.20 1pla n PRO 47 Ca -0.08 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.22 1pla n PRO 47 Cb 0.52 -1.71 -0.01 0.00 -0.02 0.00 0.00 33.50 32.28 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 -1.41 4.32 0.00 3.55 0.00 -1.26 -3.42 120.51 122.29 1pla n ALA 48 Ca 0.11 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.77 1pla n ALA 48 Cb 0.45 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.33 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 4.79 0.13 3.57 0.00 0.00 -1.26 -5.05 105.19 107.37 1pla n GLY 49 Ca 0.50 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 46.27 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 3.60 0.23 1.61 1.01 -1.22 -4.92 120.40 120.70 1pla s VAL 50 Ca 0.00 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 1pla s VAL 50 Cb 0.00 -4.40 -0.16 0.00 0.00 0.00 0.00 36.38 31.82 1pla s VAL 50 CO 0.00 -1.21 0.78 0.59 0.00 0.00 0.00 175.10 175.26 1pla n ASN 51 N 12.77 -0.03 0.06 3.32 4.13 -1.26 -4.74 115.26 129.51 1pla n ASN 51 Ca 0.41 1.15 0.12 0.00 1.68 0.00 0.00 54.58 57.93 1pla n ASN 51 Cb 0.47 -1.10 0.07 0.00 -1.54 0.00 0.00 39.78 37.69 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 0.25 3.00 0.86 5.41 0.00 -1.26 -3.75 120.51 125.02 1pla n ALA 52 Ca 0.15 -0.31 0.13 0.00 0.00 0.00 0.00 53.44 53.41 1pla n ALA 52 Cb 0.27 -1.07 0.50 0.00 0.00 0.00 0.00 19.45 19.15 1pla n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1pla n GLU 53 N -2.18 0.10 -0.00 0.00 2.13 -1.26 -2.12 120.64 117.30 1pla n GLU 53 Ca 0.02 0.07 -0.03 0.00 0.66 0.00 0.00 57.16 57.88 1pla n GLU 53 Cb 0.47 -1.61 -0.11 0.00 0.27 0.00 0.00 31.44 30.46 1pla n GLU 53 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1pla n LYS 54 N -1.77 0.63 -0.04 5.31 5.02 -1.25 -4.25 118.16 121.82 1pla n LYS 54 Ca 0.06 0.20 -0.09 0.00 -2.02 0.00 0.00 58.31 56.46 1pla n LYS 54 Cb 0.37 -1.75 -0.14 0.00 -0.02 0.00 0.00 35.03 33.49 1pla n LYS 54 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1pla n ILE 55 N -2.89 1.57 -1.27 -0.18 -5.35 -1.22 -4.93 119.36 105.09 1pla n ILE 55 Ca -0.15 -0.80 -0.29 0.00 -0.27 0.00 0.00 62.75 61.24 1pla n ILE 55 Cb 0.93 -0.95 0.15 0.00 -1.74 0.00 0.00 39.64 38.03 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 -6.00 3.22 -0.46 7.28 0.01 -0.90 -5.00 113.70 111.84 1pla s SER 56 Ca -0.07 1.27 0.04 0.00 1.31 0.00 0.00 55.95 58.50 1pla s SER 56 Cb 0.08 -1.93 0.17 0.00 0.21 0.00 0.00 66.02 64.54 1pla s SER 56 CO 0.82 -2.77 0.35 0.00 0.41 0.00 0.00 173.24 172.06 1pla s GLN 57 N -5.02 1.16 0.42 12.44 0.00 -1.01 -4.95 119.66 122.70 1pla s GLN 57 Ca 0.64 -2.27 0.23 0.00 -0.00 0.00 0.00 55.36 53.96 1pla s GLN 57 Cb -0.17 -1.78 1.25 0.00 0.00 0.00 0.00 33.01 32.30 1pla s GLN 57 CO 0.56 -1.35 1.67 -1.35 0.00 0.00 0.00 175.29 174.82 1pla h PRO 58 N 5.73 0.00 -6.23 9.60 0.11 -1.94 -3.39 132.00 135.87 1pla h PRO 58 Ca 0.22 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.80 1pla h PRO 58 Cb 0.89 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.95 1pla h PRO 58 CO 0.43 0.00 1.21 -1.21 -0.21 0.00 0.00 178.00 178.22 1pla s GLU 59 N -3.64 3.05 1.03 1.05 2.02 -1.26 -4.96 118.70 115.99 1pla s GLU 59 Ca -0.03 0.57 -0.24 0.00 0.02 0.00 0.00 54.97 55.29 1pla s GLU 59 Cb 0.07 -4.24 -0.10 0.00 0.10 0.00 0.00 34.13 29.96 1pla s GLU 59 CO 0.21 -2.24 -0.99 0.66 0.02 0.00 0.00 175.26 172.92 1pla n TYR 60 N 10.81 -1.77 -3.77 1.61 4.02 -1.26 -4.97 117.16 121.82 1pla n TYR 60 Ca 0.16 0.44 -0.13 0.00 -0.01 0.00 0.00 57.90 58.36 1pla n TYR 60 Cb 0.50 -1.45 -0.11 0.00 -0.02 0.00 0.00 39.34 38.25 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 5.17 0.91 0.00 7.72 0.05 -1.21 -5.02 118.68 126.30 1pla s LEU 61 Ca 0.43 0.55 0.22 0.00 0.05 0.00 0.00 54.13 55.37 1pla s LEU 61 Cb 0.00 0.92 0.36 0.00 -2.05 0.00 0.00 46.19 45.43 1pla s LEU 61 CO 0.68 -0.10 1.14 -0.46 -0.55 0.00 0.00 176.35 177.06 1pla n ASN 62 N 3.04 0.78 -4.57 1.48 6.94 -1.26 -2.22 115.26 119.45 1pla n ASN 62 Ca -0.14 -1.99 -0.41 0.00 -0.02 0.00 0.00 54.58 52.01 1pla n ASN 62 Cb 0.58 -0.26 -0.07 0.00 -2.36 0.00 0.00 39.78 37.67 1pla n ASN 62 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1pla s GLY 63 N -1.83 1.79 -0.22 4.83 0.00 -1.26 -4.94 107.32 105.69 1pla s GLY 63 Ca 0.28 -0.89 -0.28 0.00 0.00 0.00 0.00 44.72 43.83 1pla s GLY 63 CO -0.14 1.38 2.20 0.00 0.00 0.00 0.00 173.10 176.54 1pla s ALA 64 N 2.54 2.75 0.00 3.20 0.00 -1.26 -0.37 121.76 128.62 1pla s ALA 64 Ca 0.22 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1pla s ALA 64 Cb -0.15 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 18.90 1pla s ALA 64 CO 0.14 -2.77 0.00 0.41 0.00 0.00 0.00 175.76 173.54 1pla n GLY 65 N 5.72 1.18 3.75 0.00 0.00 -1.24 -5.05 105.19 109.55 1pla n GLY 65 Ca 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.94 2.91 0.13 1.61 2.12 0.50 -4.71 118.70 120.33 1pla s GLU 66 Ca 0.00 2.01 -0.03 0.00 0.36 0.00 0.00 54.97 57.30 1pla s GLU 66 Cb 0.00 -2.00 -0.03 0.00 0.26 0.00 0.00 34.13 32.36 1pla s GLU 66 CO 0.00 -1.31 0.11 0.95 -0.54 0.00 0.00 175.26 174.48 1pla s THR 67 N -1.45 0.10 -0.03 -1.70 -4.23 -1.26 -2.83 115.64 104.24 1pla s THR 67 Ca 0.77 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 1pla s THR 67 Cb -0.35 -1.94 0.01 0.00 1.34 0.00 0.00 72.50 71.56 1pla s THR 67 CO 0.39 -0.46 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.49 1pla s TYR 68 N -4.01 0.57 0.21 3.99 6.14 -0.77 -4.95 117.35 118.53 1pla s TYR 68 Ca 0.21 -0.12 -0.04 0.00 0.64 0.00 0.00 57.07 57.76 1pla s TYR 68 Cb 0.06 -0.50 -0.05 0.00 0.42 0.00 0.00 41.96 41.90 1pla s TYR 68 CO 0.00 -0.11 0.44 -1.21 0.64 0.00 0.00 175.55 175.31 1pla s GLU 69 N 0.58 3.60 -0.15 4.97 8.01 -1.26 -1.23 118.70 133.22 1pla s GLU 69 Ca -0.07 -0.13 -0.11 0.00 0.01 0.00 0.00 54.97 54.67 1pla s GLU 69 Cb -0.10 -2.78 0.05 0.00 -4.31 0.00 0.00 34.13 26.98 1pla s GLU 69 CO -0.00 0.37 0.38 0.08 0.01 0.00 0.00 175.26 176.09 1pla s VAL 70 N -1.86 -0.01 -0.30 2.63 1.01 -0.25 -4.95 120.40 116.67 1pla s VAL 70 Ca 0.41 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.45 1pla s VAL 70 Cb -0.11 -0.55 0.09 0.00 0.00 0.00 0.00 36.38 35.81 1pla s VAL 70 CO 0.27 0.02 0.05 -0.89 0.00 0.00 0.00 175.10 174.56 1pla s THR 71 N 0.74 1.36 0.36 3.92 2.01 -1.26 0.86 115.64 123.64 1pla s THR 71 Ca -0.04 -1.58 -0.07 0.00 0.31 0.00 0.00 61.69 60.31 1pla s THR 71 Cb -0.05 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 1pla s THR 71 CO -0.05 -0.52 0.67 -0.76 -0.69 0.00 0.00 174.62 173.26 1pla s LEU 72 N 1.39 3.91 -0.35 4.42 1.43 -1.26 -5.02 118.68 123.20 1pla s LEU 72 Ca 0.07 0.88 0.14 0.00 -1.03 0.00 0.00 54.13 54.19 1pla s LEU 72 Cb -0.18 -3.74 0.43 0.00 0.03 0.00 0.00 46.19 42.73 1pla s LEU 72 CO -0.16 -0.33 1.21 0.41 0.23 0.00 0.00 176.35 177.71 1pla n THR 73 N -1.31 0.48 -3.44 5.49 -1.04 -1.26 -3.63 114.28 109.56 1pla n THR 73 Ca -0.00 -2.13 -0.19 0.00 -2.04 0.00 0.00 64.05 59.69 1pla n THR 73 Cb 0.54 0.91 -0.11 0.00 -1.82 0.00 0.00 70.33 69.86 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 -1.38 0.27 -0.49 -2.82 2.56 -1.26 -4.93 118.70 110.65 1pla s GLU 74 Ca 0.23 -0.07 -0.45 0.00 0.00 0.00 0.00 54.97 54.68 1pla s GLU 74 Cb 0.42 -0.86 -0.19 0.00 2.00 0.00 0.00 34.13 35.50 1pla s GLU 74 CO -0.04 -0.91 1.92 1.63 -0.56 0.00 0.00 175.26 177.29 1pla n LYS 75 N 5.31 0.08 0.00 4.30 4.01 -1.26 -4.67 118.16 125.93 1pla n LYS 75 Ca -0.04 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1pla n LYS 75 Cb 0.47 -1.56 0.00 0.00 -0.51 0.00 0.00 35.03 33.43 1pla n LYS 75 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1pla n GLY 76 N 6.01 -0.69 2.81 0.72 0.00 -0.83 -4.95 105.19 108.27 1pla n GLY 76 Ca 0.44 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.04 0.19 2.61 2.01 -1.26 -1.61 115.64 113.54 1pla s THR 77 Ca 0.00 0.15 0.11 0.00 0.31 0.00 0.00 61.69 62.26 1pla s THR 77 Cb 0.00 -0.07 -0.04 0.00 0.01 0.00 0.00 72.50 72.39 1pla s THR 77 CO 0.00 0.06 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.46 1pla s TYR 78 N 0.76 2.34 -0.09 4.92 1.51 -1.00 -4.34 117.35 121.45 1pla s TYR 78 Ca -0.06 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 1pla s TYR 78 Cb -0.09 -1.15 0.01 0.00 -0.11 0.00 0.00 41.96 40.62 1pla s TYR 78 CO -0.02 0.50 -0.15 0.15 -1.11 0.00 0.00 175.55 174.92 1pla s LYS 79 N -2.70 2.11 0.16 -0.62 -0.14 -1.26 -2.60 119.74 114.70 1pla s LYS 79 Ca 0.21 -0.54 0.00 0.00 -1.36 0.00 0.00 55.97 54.28 1pla s LYS 79 Cb -0.08 -1.73 -0.04 0.00 -1.68 0.00 0.00 37.83 34.30 1pla s LYS 79 CO 0.10 0.02 0.04 -0.59 -0.76 0.00 0.00 175.35 174.17 1pla s PHE 80 N 0.72 1.08 0.08 3.18 -0.71 -0.26 0.32 117.98 122.39 1pla s PHE 80 Ca -0.13 -1.14 -0.13 0.00 -1.04 0.00 0.00 56.93 54.49 1pla s PHE 80 Cb -0.16 -0.61 0.05 0.00 -1.21 0.00 0.00 43.02 41.08 1pla s PHE 80 CO 0.03 -0.37 0.63 2.48 -1.34 0.00 0.00 175.22 176.65 1pla n TYR 81 N -0.20 -0.85 -4.30 3.49 4.11 -0.88 0.18 117.16 118.73 1pla n TYR 81 Ca -0.05 -0.66 -0.34 0.00 -0.00 0.00 0.00 57.90 56.85 1pla n TYR 81 Cb 0.64 0.32 -0.13 0.00 -0.00 0.00 0.00 39.34 40.16 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 7.16 0.55 0.11 0.00 4.22 -1.91 -2.29 114.58 122.42 1pla h GLU 83 Ca -0.33 -0.43 -0.01 0.00 0.08 0.00 0.00 59.36 58.67 1pla h GLU 83 Cb 1.19 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1pla h GLU 83 CO 0.61 1.06 -0.05 -1.00 -2.18 0.00 0.00 179.01 177.44 1pla h PRO 84 N 0.38 -0.15 -0.29 0.92 0.13 -1.95 -3.05 132.00 128.00 1pla h PRO 84 Ca -0.03 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1pla h PRO 84 Cb 1.31 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1pla h PRO 84 CO 0.13 0.31 0.00 0.72 -0.23 0.00 0.00 178.00 178.93 1pla n HIS 85 N -4.92 0.02 0.12 1.56 8.25 -1.25 -3.90 115.22 115.09 1pla n HIS 85 Ca -0.08 -0.01 0.08 0.00 -0.26 0.00 0.00 57.72 57.45 1pla n HIS 85 Cb 0.27 -0.03 0.41 0.00 1.12 0.00 0.00 29.99 31.76 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 1.00 0.35 -1.41 0.00 -0.86 -0.53 120.51 118.72 1pla n ALA 86 Ca 0.00 0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.72 1pla n ALA 86 Cb 0.08 -1.19 0.39 0.00 0.00 0.00 0.00 19.45 18.73 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 0.53 0.00 0.00 -1.83 -3.20 103.07 98.57 1pla h GLY 87 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1pla h GLY 87 CO 0.00 0.00 -2.04 0.00 0.00 0.00 0.00 176.54 174.50 1pla n ALA 88 N -1.99 1.41 0.00 3.60 0.00 0.31 -4.98 120.51 118.87 1pla n ALA 88 Ca 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1pla n ALA 88 Cb 0.41 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 1.74 1.41 3.48 0.00 0.00 -1.18 -5.05 105.19 105.58 1pla n GLY 89 Ca -0.27 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.30 1pla n GLY 89 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pla n MET 90 N -0.05 0.78 -4.30 1.61 0.00 -1.24 -4.90 117.12 109.02 1pla n MET 90 Ca 0.00 0.14 -0.16 0.00 0.00 0.00 0.00 57.70 57.68 1pla n MET 90 Cb 0.00 -2.45 -0.10 0.00 0.00 0.00 0.00 33.22 30.67 1pla n MET 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1pla s LYS 91 N 7.36 1.20 0.02 2.12 -2.85 -1.26 -2.68 119.74 123.64 1pla s LYS 91 Ca 1.13 -1.53 -0.06 0.00 -1.00 0.00 0.00 55.97 54.50 1pla s LYS 91 Cb -0.80 -0.82 -0.00 0.00 -2.06 0.00 0.00 37.83 34.14 1pla s LYS 91 CO 0.44 0.10 0.12 0.20 0.10 0.00 0.00 175.35 176.30 1pla s GLY 92 N -3.24 0.11 -0.05 0.59 0.00 0.49 -4.24 107.32 100.97 1pla s GLY 92 Ca 0.20 -0.33 -0.22 0.00 0.00 0.00 0.00 44.72 44.37 1pla s GLY 92 CO 0.04 -0.47 0.48 1.85 0.00 0.00 0.00 173.10 175.00 1pla s GLU 93 N -1.95 0.81 -0.03 2.90 2.12 -0.92 -1.10 118.70 120.52 1pla s GLU 93 Ca -0.10 0.10 -0.01 0.00 0.36 0.00 0.00 54.97 55.32 1pla s GLU 93 Cb -0.05 0.38 0.03 0.00 0.26 0.00 0.00 34.13 34.75 1pla s GLU 93 CO -0.01 -0.23 0.04 0.54 -0.54 0.00 0.00 175.26 175.06 1pla s VAL 94 N -1.07 -0.08 -0.52 3.70 0.11 -1.07 -2.40 120.40 119.07 1pla s VAL 94 Ca -0.11 0.31 -0.13 0.00 -2.93 0.00 0.00 61.98 59.12 1pla s VAL 94 Cb -0.03 -0.11 0.13 0.00 -1.53 0.00 0.00 36.38 34.84 1pla s VAL 94 CO 0.06 0.13 0.44 -0.89 -3.33 0.00 0.00 175.10 171.51 1pla s THR 95 N 1.56 4.79 0.38 5.04 2.01 -0.96 -2.36 115.64 126.10 1pla s THR 95 Ca -0.03 -1.64 -0.23 0.00 0.31 0.00 0.00 61.69 60.10 1pla s THR 95 Cb -0.13 -4.10 -0.10 0.00 0.01 0.00 0.00 72.50 68.18 1pla s THR 95 CO -0.03 -0.83 0.96 -0.69 -0.69 0.00 0.00 174.62 173.34 1pla s VAL 96 N 1.47 4.21 0.00 3.82 1.01 -0.63 -0.89 120.40 129.39 1pla s VAL 96 Ca 0.04 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1pla s VAL 96 Cb -0.28 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1pla s VAL 96 CO 0.01 -0.08 0.00 -0.46 0.00 0.00 0.00 175.10 174.57