#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 3.23 -0.27 0.00 8.01 -1.26 -2.03 118.70 126.38 1pla s GLU 2 Ca 0.00 -0.72 -0.10 0.00 0.01 0.00 0.00 54.97 54.16 1pla s GLU 2 Cb 0.00 -3.01 -0.04 0.00 -4.31 0.00 0.00 34.13 26.76 1pla s GLU 2 CO 0.00 -0.26 0.15 0.08 0.01 0.00 0.00 175.26 175.24 1pla s VAL 3 N 1.44 4.93 -0.45 2.63 1.01 -0.68 -4.52 120.40 124.77 1pla s VAL 3 Ca 0.04 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.82 1pla s VAL 3 Cb -0.15 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 32.92 1pla s VAL 3 CO -0.04 0.28 0.84 -0.54 0.00 0.00 0.00 175.10 175.64 1pla s LYS 4 N 1.70 3.47 -0.58 2.72 3.01 0.17 0.18 119.74 130.41 1pla s LYS 4 Ca 0.07 0.02 -0.28 0.00 -1.01 0.00 0.00 55.97 54.77 1pla s LYS 4 Cb -0.16 -3.93 0.01 0.00 -1.01 0.00 0.00 37.83 32.75 1pla s LYS 4 CO 0.08 -1.14 1.43 -0.51 0.51 0.00 0.00 175.35 175.72 1pla s LEU 5 N 3.46 3.38 0.00 3.17 1.43 0.11 -2.67 118.68 127.55 1pla s LEU 5 Ca 0.33 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 1pla s LEU 5 Cb -0.11 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.12 1pla s LEU 5 CO 0.24 -1.76 0.00 0.61 0.23 0.00 0.00 176.35 175.67 1pla n GLY 6 N 5.29 1.04 3.77 -3.19 0.00 -1.11 -2.44 105.19 108.55 1pla n GLY 6 Ca 0.12 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 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 3.76 -0.27 1.61 3.41 -0.58 -4.12 113.62 117.44 1pla n SER 7 Ca 0.00 1.21 -0.01 0.00 -0.26 0.00 0.00 58.87 59.81 1pla n SER 7 Cb 0.00 -1.61 0.05 0.00 -0.26 0.00 0.00 64.21 62.39 1pla n SER 7 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pla h ASP 8 N 3.24 -1.05 -1.26 4.04 5.19 -1.91 -3.30 116.42 121.37 1pla h ASP 8 Ca -0.50 0.25 -0.41 0.00 -0.62 0.00 0.00 57.03 55.75 1pla h ASP 8 Cb 1.24 0.58 -0.30 0.00 0.18 0.00 0.00 39.33 41.03 1pla h ASP 8 CO 0.66 -0.29 -0.90 -0.90 -3.12 0.00 0.00 179.24 174.70 1pla n ASP 9 N -5.48 -0.61 0.00 6.45 5.75 -1.26 -4.99 116.55 116.41 1pla n ASP 9 Ca 0.08 -3.13 0.00 0.00 -0.01 0.00 0.00 54.79 51.74 1pla n ASP 9 Cb 0.39 0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 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 0.80 -0.53 0.00 6.12 0.00 -1.24 -5.18 105.19 105.17 1pla n GLY 10 Ca 0.17 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.63 2.22 3.34 -0.02 0.00 -1.26 -5.02 105.19 105.09 1pla n GLY 11 Ca 0.00 -0.89 -0.45 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 5.91 0.11 0.99 1.43 -1.26 -1.52 118.68 124.34 1pla s LEU 12 Ca 0.00 -1.58 -0.12 0.00 -1.03 0.00 0.00 54.13 51.40 1pla s LEU 12 Cb 0.00 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1pla s LEU 12 CO 0.00 -0.81 0.28 0.68 0.23 0.00 0.00 176.35 176.74 1pla s VAL 13 N 1.72 0.11 -0.39 -1.59 -7.23 -1.26 -4.17 120.40 107.58 1pla s VAL 13 Ca 0.04 -0.96 -0.29 0.00 -1.81 0.00 0.00 61.98 58.97 1pla s VAL 13 Cb -0.27 -1.31 0.02 0.00 0.56 0.00 0.00 36.38 35.38 1pla s VAL 13 CO 0.05 -0.49 1.16 -0.36 -0.31 0.00 0.00 175.10 175.14 1pla s PHE 14 N -3.85 2.89 -0.29 2.82 0.40 -1.26 -2.76 117.98 115.94 1pla s PHE 14 Ca 0.05 0.91 -0.02 0.00 -0.60 0.00 0.00 56.93 57.27 1pla s PHE 14 Cb 0.04 -4.08 0.05 0.00 0.51 0.00 0.00 43.02 39.53 1pla s PHE 14 CO -0.11 -1.20 -0.01 -1.12 0.70 0.00 0.00 175.22 173.48 1pla s SER 15 N 2.32 4.80 1.26 1.36 0.01 -1.09 -0.95 113.70 121.41 1pla s SER 15 Ca 0.49 -1.20 -0.19 0.00 1.31 0.00 0.00 55.95 56.36 1pla s SER 15 Cb -0.11 -1.70 0.31 0.00 0.21 0.00 0.00 66.02 64.72 1pla s SER 15 CO 0.25 -0.24 1.03 -2.16 0.41 0.00 0.00 173.24 172.53 1pla s PRO 16 N 1.27 -1.66 -0.15 12.44 0.04 -1.26 0.42 135.00 146.10 1pla s PRO 16 Ca -0.04 0.19 -0.13 0.00 0.04 0.00 0.00 61.00 61.05 1pla s PRO 16 Cb -0.19 -1.52 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 1pla s PRO 16 CO -0.02 -4.05 -0.26 -1.13 0.04 0.00 0.00 177.00 171.58 1pla n SER 17 N -5.05 1.73 -4.20 6.66 3.41 -0.12 -4.87 113.62 111.17 1pla n SER 17 Ca 0.10 0.41 -0.28 0.00 -0.26 0.00 0.00 58.87 58.85 1pla n SER 17 Cb 0.59 -0.76 -0.16 0.00 -0.26 0.00 0.00 64.21 63.61 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 -5.67 2.50 -0.15 4.04 1.04 -1.26 -2.62 113.70 111.57 1pla s SER 18 Ca -0.22 -0.40 -0.29 0.00 0.48 0.00 0.00 55.95 55.52 1pla s SER 18 Cb 0.03 -0.57 0.09 0.00 0.10 0.00 0.00 66.02 65.67 1pla s SER 18 CO 0.32 0.21 0.81 0.72 0.98 0.00 0.00 173.24 176.28 1pla s PHE 19 N -0.17 -0.60 0.32 5.02 -0.71 -1.05 -5.01 117.98 115.77 1pla s PHE 19 Ca -0.00 1.20 -0.08 0.00 -1.04 0.00 0.00 56.93 57.00 1pla s PHE 19 Cb -0.11 0.38 -0.06 0.00 -1.21 0.00 0.00 43.02 42.02 1pla s PHE 19 CO 0.02 -0.45 0.63 0.95 -1.34 0.00 0.00 175.22 175.03 1pla s THR 20 N -0.63 4.91 0.31 -4.49 -4.23 -1.26 -2.08 115.64 108.17 1pla s THR 20 Ca -0.05 0.37 -0.02 0.00 -1.18 0.00 0.00 61.69 60.82 1pla s THR 20 Cb -0.02 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.11 1pla s THR 20 CO 0.04 -0.33 0.39 0.68 -0.54 0.00 0.00 174.62 174.86 1pla s VAL 21 N -2.12 0.00 0.24 2.29 -7.23 -0.34 -4.86 120.40 108.38 1pla s VAL 21 Ca 0.48 -1.71 -0.09 0.00 -1.81 0.00 0.00 61.98 58.85 1pla s VAL 21 Cb -0.11 -2.54 -0.07 0.00 0.56 0.00 0.00 36.38 34.22 1pla s VAL 21 CO 0.28 0.00 0.55 0.00 -0.31 0.00 0.00 175.10 175.62 1pla s ALA 22 N -3.39 3.57 -0.99 1.32 0.00 -1.26 -0.25 121.76 120.76 1pla s ALA 22 Ca 0.33 -0.32 -0.16 0.00 0.00 0.00 0.00 51.96 51.81 1pla s ALA 22 Cb 0.01 -2.42 -0.09 0.00 0.00 0.00 0.00 23.12 20.63 1pla s ALA 22 CO 0.19 0.46 2.10 0.00 0.00 0.00 0.00 175.76 178.51 1pla n ALA 23 N -0.28 4.37 0.00 0.00 0.00 -1.26 -2.28 120.51 121.06 1pla n ALA 23 Ca 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.34 1pla n ALA 23 Cb 0.53 -3.44 0.00 0.00 0.00 0.00 0.00 19.45 16.53 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 4.19 0.00 3.94 0.00 0.00 -1.21 -4.75 105.19 107.36 1pla n GLY 24 Ca 0.51 0.00 -0.26 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 3.49 -0.12 1.61 2.12 -0.96 -5.04 118.70 119.79 1pla s GLU 25 Ca 0.00 -0.45 -0.14 0.00 0.36 0.00 0.00 54.97 54.74 1pla s GLU 25 Cb 0.00 -2.88 -0.05 0.00 0.26 0.00 0.00 34.13 31.46 1pla s GLU 25 CO 0.00 0.43 0.32 0.15 -0.54 0.00 0.00 175.26 175.62 1pla s LYS 26 N -3.37 4.09 -0.25 4.30 1.02 -1.26 -4.29 119.74 119.97 1pla s LYS 26 Ca 0.37 0.18 -0.01 0.00 0.02 0.00 0.00 55.97 56.52 1pla s LYS 26 Cb -0.11 -3.35 0.03 0.00 -0.52 0.00 0.00 37.83 33.88 1pla s LYS 26 CO 0.29 0.39 -0.06 0.42 -0.92 0.00 0.00 175.35 175.48 1pla s ILE 27 N -0.04 2.86 -0.28 2.17 1.01 -0.51 -3.31 121.20 123.10 1pla s ILE 27 Ca 0.19 -1.08 -0.07 0.00 0.00 0.00 0.00 60.65 59.69 1pla s ILE 27 Cb -0.14 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 1pla s ILE 27 CO 0.07 0.16 0.09 0.42 0.00 0.00 0.00 174.94 175.67 1pla s THR 28 N 1.31 4.20 -0.53 2.92 -4.23 -0.86 -1.31 115.64 117.13 1pla s THR 28 Ca -0.01 -0.44 -0.26 0.00 -1.18 0.00 0.00 61.69 59.80 1pla s THR 28 Cb -0.17 -3.08 0.03 0.00 1.34 0.00 0.00 72.50 70.63 1pla s THR 28 CO -0.04 0.18 1.01 -0.36 -0.54 0.00 0.00 174.62 174.87 1pla s PHE 29 N 1.56 2.78 -0.00 3.99 0.08 -0.41 -1.68 117.98 124.30 1pla s PHE 29 Ca 0.04 0.22 -0.09 0.00 0.12 0.00 0.00 56.93 57.22 1pla s PHE 29 Cb -0.16 -4.18 -0.05 0.00 -0.57 0.00 0.00 43.02 38.06 1pla s PHE 29 CO 0.03 -1.35 0.29 0.21 -0.10 0.00 0.00 175.22 174.31 1pla s LYS 30 N 4.18 3.65 -0.27 0.44 2.20 0.13 -2.22 119.74 127.85 1pla s LYS 30 Ca 0.36 0.05 -0.11 0.00 -0.36 0.00 0.00 55.97 55.91 1pla s LYS 30 Cb -0.10 -3.11 -0.05 0.00 -1.51 0.00 0.00 37.83 33.05 1pla s LYS 30 CO 0.23 0.67 0.18 1.21 -0.36 0.00 0.00 175.35 177.28 1pla s ASN 31 N -1.47 6.03 0.00 1.43 3.84 -0.76 0.05 114.94 124.05 1pla s ASN 31 Ca 0.25 0.02 0.00 0.00 0.21 0.00 0.00 52.86 53.34 1pla s ASN 31 Cb -0.14 -2.11 0.00 0.00 -0.55 0.00 0.00 41.25 38.45 1pla s ASN 31 CO 0.14 -0.02 0.02 -0.46 -2.79 0.00 0.00 177.10 173.99 1pla n ASN 32 N 4.87 0.04 -3.64 -4.21 6.94 -1.18 -2.68 115.26 115.40 1pla n ASN 32 Ca -0.14 -0.28 -0.04 0.00 -0.02 0.00 0.00 54.58 54.10 1pla n ASN 32 Cb 0.52 0.32 -0.07 0.00 -2.36 0.00 0.00 39.78 38.19 1pla n ASN 32 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pla s ALA 33 N -0.32 -2.19 -0.12 -2.53 0.00 -1.02 -4.93 121.76 110.66 1pla s ALA 33 Ca 0.00 2.14 -0.01 0.00 0.00 0.00 0.00 51.96 54.10 1pla s ALA 33 Cb 0.00 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.48 1pla s ALA 33 CO 0.00 -0.32 0.10 0.41 0.00 0.00 0.00 175.76 175.95 1pla n GLY 34 N 3.40 0.69 3.98 0.00 0.00 -1.26 -3.90 105.19 108.08 1pla n GLY 34 Ca -0.17 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.04 3.15 0.40 1.61 0.08 -1.26 -4.38 117.98 114.53 1pla s PHE 35 Ca 0.05 -0.03 -0.23 0.00 0.12 0.00 0.00 56.93 56.84 1pla s PHE 35 Cb -0.01 -2.15 -0.10 0.00 -0.57 0.00 0.00 43.02 40.19 1pla s PHE 35 CO 0.08 -0.18 0.99 -1.25 -0.10 0.00 0.00 175.22 174.76 1pla s PRO 36 N -4.35 4.25 0.51 0.24 0.04 -1.26 -5.03 135.00 129.39 1pla s PRO 36 Ca 0.47 1.32 0.08 0.00 0.04 0.00 0.00 61.00 62.91 1pla s PRO 36 Cb -0.10 -2.43 0.04 0.00 0.04 0.00 0.00 34.50 32.05 1pla s PRO 36 CO 0.34 -0.04 0.60 -1.01 0.04 0.00 0.00 177.00 176.94 1pla s HIS 37 N -1.86 1.98 -0.17 0.56 3.76 -1.02 -4.85 115.29 113.69 1pla s HIS 37 Ca 0.58 -0.64 -0.07 0.00 -0.15 0.00 0.00 55.06 54.78 1pla s HIS 37 Cb -0.16 -2.19 0.07 0.00 1.11 0.00 0.00 32.58 31.41 1pla s HIS 37 CO 0.21 -0.69 0.38 1.21 -0.85 0.00 0.00 174.74 175.00 1pla s ASN 38 N -4.43 -0.28 -0.29 1.40 3.04 -1.26 -2.51 114.94 110.61 1pla s ASN 38 Ca 0.53 0.87 -0.07 0.00 0.04 0.00 0.00 52.86 54.22 1pla s ASN 38 Cb -0.06 0.97 0.00 0.00 -1.54 0.00 0.00 41.25 40.62 1pla s ASN 38 CO 0.32 -0.21 0.08 -0.63 -3.04 0.00 0.00 177.10 173.62 1pla s ILE 39 N 2.01 4.04 0.00 -5.21 -1.09 -1.26 -3.90 121.20 115.79 1pla s ILE 39 Ca -0.05 -0.60 -0.00 0.00 -2.23 0.00 0.00 60.65 57.77 1pla s ILE 39 Cb -0.10 -3.05 -0.00 0.00 -1.58 0.00 0.00 42.46 37.72 1pla s ILE 39 CO -0.12 0.12 0.00 -0.69 -1.23 0.00 0.00 174.94 173.02 1pla s VAL 40 N 1.52 0.02 -0.26 2.92 1.01 -1.09 -1.73 120.40 122.78 1pla s VAL 40 Ca 0.03 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 1pla s VAL 40 Cb -0.17 -0.06 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 1pla s VAL 40 CO 0.03 -0.08 0.19 -0.36 0.00 0.00 0.00 175.10 174.87 1pla s PHE 41 N -0.24 3.26 -0.24 5.22 0.40 -1.26 -2.29 117.98 122.84 1pla s PHE 41 Ca -0.03 0.18 -0.29 0.00 -0.60 0.00 0.00 56.93 56.20 1pla s PHE 41 Cb -0.02 -2.34 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1pla s PHE 41 CO -0.00 -0.06 1.92 0.34 0.70 0.00 0.00 175.22 178.12 1pla s ASP 42 N 1.44 5.89 0.00 1.36 -1.08 -0.69 -4.79 116.67 118.80 1pla s ASP 42 Ca 0.08 1.69 0.00 0.00 -0.52 0.00 0.00 52.55 53.80 1pla s ASP 42 Cb -0.15 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 1pla s ASP 42 CO 0.08 -1.65 0.31 -1.84 0.52 0.00 0.00 175.17 172.60 1pla n GLU 43 N 8.31 0.33 0.04 4.34 0.28 -1.26 -1.98 120.64 130.70 1pla n GLU 43 Ca 0.24 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.35 1pla n GLU 43 Cb 0.45 -1.02 0.03 0.00 1.43 0.00 0.00 31.44 32.33 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 -0.41 0.61 -2.67 -1.84 8.00 -1.26 -4.41 116.55 114.58 1pla n ASP 44 Ca 0.00 -0.12 -0.09 0.00 0.71 0.00 0.00 54.79 55.29 1pla n ASP 44 Cb 0.01 0.75 0.03 0.00 -0.02 0.00 0.00 41.12 41.89 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 -2.06 1.14 -4.47 -1.24 1.02 -0.84 -5.09 120.64 109.11 1pla n GLU 45 Ca 0.02 -3.18 -0.22 0.00 -0.02 0.00 0.00 57.16 53.76 1pla n GLU 45 Cb 0.45 -1.19 -0.14 0.00 -0.02 0.00 0.00 31.44 30.55 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 -2.93 1.27 0.59 2.62 1.01 -1.25 -3.71 120.40 117.99 1pla s VAL 46 Ca 0.27 -1.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 1pla s VAL 46 Cb 0.45 -1.12 -0.09 0.00 0.00 0.00 0.00 36.38 35.62 1pla s VAL 46 CO 0.03 0.10 0.44 -2.65 0.00 0.00 0.00 175.10 173.01 1pla n PRO 47 N 1.98 0.42 -0.86 2.72 -0.02 -1.26 -4.77 135.00 133.21 1pla n PRO 47 Ca -0.17 0.17 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 1pla n PRO 47 Cb 0.54 -1.63 -0.13 0.00 -0.02 0.00 0.00 33.50 32.26 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 -1.78 5.71 0.00 3.55 0.00 -1.26 -3.45 120.51 123.29 1pla n ALA 48 Ca 0.11 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.18 1pla n ALA 48 Cb 0.48 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 2.28 -0.12 3.53 0.00 0.00 -1.26 -5.01 105.19 104.60 1pla n GLY 49 Ca 0.32 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.43 4.35 0.31 1.61 1.01 -1.22 -4.97 120.40 120.06 1pla s VAL 50 Ca 0.00 -1.70 -0.26 0.00 0.00 0.00 0.00 61.98 60.03 1pla s VAL 50 Cb 0.00 -5.03 -0.15 0.00 0.00 0.00 0.00 36.38 31.20 1pla s VAL 50 CO 0.00 -1.83 0.61 0.59 0.00 0.00 0.00 175.10 174.46 1pla n ASN 51 N 7.66 -0.66 -0.01 3.32 3.02 -1.26 -4.71 115.26 122.61 1pla n ASN 51 Ca 0.38 1.04 0.13 0.00 -0.03 0.00 0.00 54.58 56.10 1pla n ASN 51 Cb 0.47 -1.08 0.37 0.00 -0.61 0.00 0.00 39.78 38.93 1pla n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pla n ALA 52 N -0.32 3.16 0.83 5.41 0.00 -1.26 -3.51 120.51 124.82 1pla n ALA 52 Ca 0.13 -0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.42 1pla n ALA 52 Cb 0.33 -1.23 0.34 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.47 0.12 -0.04 0.00 1.02 -1.26 -2.25 120.64 116.76 1pla n GLU 53 Ca 0.06 0.05 -0.16 0.00 -0.02 0.00 0.00 57.16 57.09 1pla n GLU 53 Cb 0.34 -1.59 -0.14 0.00 -0.02 0.00 0.00 31.44 30.02 1pla n GLU 53 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1pla n LYS 54 N -1.77 0.70 0.09 3.49 4.01 -1.23 -4.32 118.16 119.13 1pla n LYS 54 Ca 0.05 0.22 0.09 0.00 -0.51 0.00 0.00 58.31 58.16 1pla n LYS 54 Cb 0.38 -1.67 -0.02 0.00 -0.51 0.00 0.00 35.03 33.21 1pla n LYS 54 CO 0.00 0.00 0.00 -0.84 -1.11 0.00 0.00 177.40 175.45 1pla h ILE 55 N 0.03 0.12 -3.73 -0.18 3.07 -1.67 -3.47 117.51 111.69 1pla h ILE 55 Ca -0.43 -1.25 -0.43 0.00 1.55 0.00 0.00 64.86 64.30 1pla h ILE 55 Cb 2.03 1.64 0.18 0.00 -0.27 0.00 0.00 36.82 40.40 1pla h ILE 55 CO 0.05 0.07 0.27 -0.44 -1.05 0.00 0.00 178.15 177.04 1pla s SER 56 N -5.48 1.86 -0.51 2.16 0.01 -0.96 -4.97 113.70 105.82 1pla s SER 56 Ca -0.01 0.45 0.07 0.00 1.31 0.00 0.00 55.95 57.76 1pla s SER 56 Cb 0.09 -0.58 0.20 0.00 0.21 0.00 0.00 66.02 65.94 1pla s SER 56 CO 0.79 -3.53 0.76 0.00 0.41 0.00 0.00 173.24 171.67 1pla n GLN 57 N -4.33 0.59 0.00 12.44 0.00 -0.71 -4.97 117.38 120.40 1pla n GLN 57 Ca 0.14 -2.01 0.00 0.00 0.00 0.00 0.00 57.00 55.13 1pla n GLN 57 Cb 0.59 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 29.36 1pla n GLN 57 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1pla n PRO 58 N 2.59 0.00 -2.59 2.61 -0.02 -1.26 -4.25 135.00 132.08 1pla n PRO 58 Ca 0.16 0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 61.25 1pla n PRO 58 Cb 0.57 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 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 -1.93 3.49 1.00 -0.52 0.41 -1.26 -4.98 118.70 114.91 1pla s GLU 59 Ca 0.00 -0.97 -0.19 0.00 -0.41 0.00 0.00 54.97 53.41 1pla s GLU 59 Cb 0.00 -5.05 -0.14 0.00 -1.78 0.00 0.00 34.13 27.16 1pla s GLU 59 CO 0.00 -2.16 -0.87 0.66 -0.49 0.00 0.00 175.26 172.40 1pla n TYR 60 N 8.82 -4.14 -3.71 1.61 4.01 -1.26 -4.94 117.16 117.54 1pla n TYR 60 Ca 0.25 0.13 -0.28 0.00 -0.16 0.00 0.00 57.90 57.84 1pla n TYR 60 Cb 0.50 -1.45 -0.16 0.00 -0.31 0.00 0.00 39.34 37.93 1pla n TYR 60 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 1pla s LEU 61 N 7.24 1.17 0.00 7.72 2.34 -1.04 -4.97 118.68 131.15 1pla s LEU 61 Ca 0.41 -0.90 0.18 0.00 0.06 0.00 0.00 54.13 53.88 1pla s LEU 61 Cb -0.12 -0.58 0.27 0.00 -0.56 0.00 0.00 46.19 45.20 1pla s LEU 61 CO 0.78 -0.33 1.20 -0.46 -1.06 0.00 0.00 176.35 176.49 1pla n ASN 62 N 5.06 2.88 -4.65 1.48 0.23 -1.26 -2.43 115.26 116.58 1pla n ASN 62 Ca -0.08 -1.85 -0.43 0.00 -0.53 0.00 0.00 54.58 51.70 1pla n ASN 62 Cb 0.47 -0.13 -0.02 0.00 -2.08 0.00 0.00 39.78 38.01 1pla n ASN 62 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1pla s GLY 63 N -1.34 1.49 -0.27 4.83 0.00 -1.26 -4.88 107.32 105.89 1pla s GLY 63 Ca 0.27 0.41 -0.28 0.00 0.00 0.00 0.00 44.72 45.12 1pla s GLY 63 CO 0.24 2.66 2.25 0.00 0.00 0.00 0.00 173.10 178.26 1pla n ALA 64 N 7.25 1.62 -0.01 3.20 0.00 -1.26 -0.28 120.51 131.03 1pla n ALA 64 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1pla n ALA 64 Cb 0.45 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 16.96 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 5.86 0.24 3.74 0.00 0.00 -1.09 -5.06 105.19 108.88 1pla n GLY 65 Ca 0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.97 2.72 0.12 1.61 2.12 0.61 -4.43 118.70 120.49 1pla s GLU 66 Ca 0.00 1.97 -0.02 0.00 0.36 0.00 0.00 54.97 57.29 1pla s GLU 66 Cb 0.00 -1.88 -0.04 0.00 0.26 0.00 0.00 34.13 32.47 1pla s GLU 66 CO 0.00 -1.44 0.07 0.95 -0.54 0.00 0.00 175.26 174.29 1pla s THR 67 N -1.47 0.12 -0.04 -1.70 -4.23 -1.26 -1.82 115.64 105.24 1pla s THR 67 Ca 0.81 -1.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 1pla s THR 67 Cb -0.35 -1.94 0.02 0.00 1.34 0.00 0.00 72.50 71.58 1pla s THR 67 CO 0.37 -0.53 -0.02 -0.47 -0.54 0.00 0.00 174.62 173.42 1pla s TYR 68 N -4.02 0.53 0.24 3.99 6.14 -0.94 -4.95 117.35 118.34 1pla s TYR 68 Ca 0.21 -0.10 -0.03 0.00 0.64 0.00 0.00 57.07 57.79 1pla s TYR 68 Cb 0.07 -0.53 -0.05 0.00 0.42 0.00 0.00 41.96 41.88 1pla s TYR 68 CO -0.00 -0.15 0.46 -1.21 0.64 0.00 0.00 175.55 175.28 1pla s GLU 69 N 0.92 3.57 -0.18 4.97 8.01 -1.26 -1.29 118.70 133.44 1pla s GLU 69 Ca -0.11 -0.18 -0.11 0.00 0.01 0.00 0.00 54.97 54.58 1pla s GLU 69 Cb -0.14 -2.76 0.06 0.00 -4.31 0.00 0.00 34.13 26.98 1pla s GLU 69 CO -0.01 0.32 0.45 0.08 0.01 0.00 0.00 175.26 176.12 1pla s VAL 70 N -1.95 -0.02 -0.31 2.63 1.01 -0.43 -4.98 120.40 116.35 1pla s VAL 70 Ca 0.41 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.49 1pla s VAL 70 Cb -0.11 -0.66 0.09 0.00 0.00 0.00 0.00 36.38 35.70 1pla s VAL 70 CO 0.29 0.03 0.00 -0.89 0.00 0.00 0.00 175.10 174.53 1pla s THR 71 N 1.32 2.12 0.47 3.92 2.01 -1.26 -1.42 115.64 122.79 1pla s THR 71 Ca -0.09 -2.03 -0.07 0.00 0.31 0.00 0.00 61.69 59.81 1pla s THR 71 Cb -0.07 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1pla s THR 71 CO -0.12 -0.42 0.79 -0.76 -0.69 0.00 0.00 174.62 173.42 1pla s LEU 72 N 1.03 3.67 -0.31 4.42 1.43 -1.26 -5.01 118.68 122.64 1pla s LEU 72 Ca 0.04 1.01 0.17 0.00 -1.03 0.00 0.00 54.13 54.33 1pla s LEU 72 Cb -0.19 -3.95 0.45 0.00 0.03 0.00 0.00 46.19 42.53 1pla s LEU 72 CO -0.08 -0.54 1.34 0.41 0.23 0.00 0.00 176.35 177.71 1pla n THR 73 N -2.00 0.56 -3.50 5.49 -1.04 -1.26 -3.32 114.28 109.22 1pla n THR 73 Ca 0.01 -1.89 -0.24 0.00 -2.04 0.00 0.00 64.05 59.90 1pla n THR 73 Cb 0.55 1.11 -0.13 0.00 -1.82 0.00 0.00 70.33 70.04 1pla n THR 73 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1pla s GLU 74 N -1.60 0.22 -0.44 -2.82 0.41 -1.26 -4.97 118.70 108.24 1pla s GLU 74 Ca 0.18 -0.27 -0.43 0.00 -0.41 0.00 0.00 54.97 54.04 1pla s GLU 74 Cb 0.40 -1.06 -0.17 0.00 -1.78 0.00 0.00 34.13 31.51 1pla s GLU 74 CO -0.08 -0.95 1.94 1.63 -0.49 0.00 0.00 175.26 177.31 1pla n LYS 75 N 5.28 0.38 0.00 1.61 5.02 -1.26 -4.66 118.16 124.54 1pla n LYS 75 Ca -0.05 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1pla n LYS 75 Cb 0.45 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 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 5.83 -0.79 2.91 0.72 0.00 -0.66 -4.94 105.19 108.27 1pla n GLY 76 Ca 0.41 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.00 -0.10 0.37 2.61 -4.23 -1.26 -1.60 115.64 107.43 1pla s THR 77 Ca 0.00 0.22 0.08 0.00 -1.18 0.00 0.00 61.69 60.81 1pla s THR 77 Cb 0.00 -0.26 -0.05 0.00 1.34 0.00 0.00 72.50 73.52 1pla s THR 77 CO 0.00 0.09 0.10 -0.31 -0.54 0.00 0.00 174.62 173.96 1pla s TYR 78 N 1.43 2.60 -0.06 3.99 1.51 -0.93 -4.46 117.35 121.43 1pla s TYR 78 Ca -0.07 -0.50 -0.00 0.00 -1.01 0.00 0.00 57.07 55.49 1pla s TYR 78 Cb -0.12 -1.71 0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1pla s TYR 78 CO -0.06 0.34 -0.02 0.15 -1.11 0.00 0.00 175.55 174.85 1pla s LYS 79 N -3.81 0.71 0.16 -0.62 -0.14 -1.24 -2.76 119.74 112.04 1pla s LYS 79 Ca 0.38 0.02 0.03 0.00 -1.36 0.00 0.00 55.97 55.04 1pla s LYS 79 Cb 0.02 -0.94 -0.05 0.00 -1.68 0.00 0.00 37.83 35.18 1pla s LYS 79 CO 0.21 -0.22 -0.06 -0.59 -0.76 0.00 0.00 175.35 173.93 1pla s PHE 80 N 1.58 1.25 0.06 3.18 -0.71 0.91 -1.70 117.98 122.55 1pla s PHE 80 Ca -0.01 -0.86 -0.09 0.00 -1.04 0.00 0.00 56.93 54.93 1pla s PHE 80 Cb -0.13 -0.68 0.03 0.00 -1.21 0.00 0.00 43.02 41.04 1pla s PHE 80 CO -0.04 -0.03 0.45 2.48 -1.34 0.00 0.00 175.22 176.75 1pla n TYR 81 N -0.22 -0.76 -4.77 3.49 4.11 -0.97 0.26 117.16 118.31 1pla n TYR 81 Ca -0.09 -0.48 -0.33 0.00 -0.00 0.00 0.00 57.90 57.00 1pla n TYR 81 Cb 0.62 0.23 -0.13 0.00 -0.00 0.00 0.00 39.34 40.05 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 6.07 0.28 -0.42 0.00 5.08 -1.91 -2.74 114.58 120.94 1pla h GLU 83 Ca -0.36 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 57.62 1pla h GLU 83 Cb 1.19 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1pla h GLU 83 CO 0.54 0.99 -0.12 -1.00 -1.00 0.00 0.00 179.01 178.42 1pla h PRO 84 N -0.32 0.83 -0.73 2.33 0.14 -1.95 -2.97 132.00 129.33 1pla h PRO 84 Ca -0.05 -0.33 -0.03 0.00 0.14 0.00 0.00 66.00 65.74 1pla h PRO 84 Cb 1.12 -0.04 -0.02 0.00 0.14 0.00 0.00 31.00 32.20 1pla h PRO 84 CO 0.08 0.96 0.03 0.72 0.14 0.00 0.00 178.00 179.93 1pla n HIS 85 N -4.28 1.52 0.63 1.56 8.25 -1.26 -4.16 115.22 117.49 1pla n HIS 85 Ca -0.01 -0.58 0.11 0.00 -0.26 0.00 0.00 57.72 56.98 1pla n HIS 85 Cb 0.38 -0.42 0.45 0.00 1.12 0.00 0.00 29.99 31.52 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 0.36 1.94 0.33 -1.41 0.00 -1.03 -2.50 120.51 118.19 1pla n ALA 86 Ca 0.21 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.76 1pla n ALA 86 Cb 0.95 -1.37 0.45 0.00 0.00 0.00 0.00 19.45 19.48 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 3.44 0.00 0.02 0.00 0.00 -1.81 -3.30 103.07 101.42 1pla h GLY 87 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1pla h GLY 87 CO 0.00 0.00 -1.90 0.00 0.00 0.00 0.00 176.54 174.64 1pla n ALA 88 N -2.00 0.99 0.00 3.60 0.00 -1.04 -5.00 120.51 117.05 1pla n ALA 88 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1pla n ALA 88 Cb 0.39 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 1.39 0.00 3.57 0.00 0.00 -1.20 -5.10 105.19 103.85 1pla n GLY 89 Ca -0.43 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 2.99 0.27 1.61 0.00 -1.16 -4.89 119.30 118.12 1pla s MET 90 Ca 0.00 0.70 0.03 0.00 0.00 0.00 0.00 55.69 56.42 1pla s MET 90 Cb 0.00 -4.26 -0.06 0.00 0.00 0.00 0.00 34.83 30.51 1pla s MET 90 CO 0.00 -2.30 0.05 0.15 0.00 0.00 0.00 175.02 172.92 1pla s LYS 91 N 6.26 1.48 -0.07 4.11 1.02 -1.26 -2.68 119.74 128.60 1pla s LYS 91 Ca 0.64 -1.79 -0.20 0.00 0.02 0.00 0.00 55.97 54.64 1pla s LYS 91 Cb -0.14 -0.61 0.04 0.00 -0.52 0.00 0.00 37.83 36.60 1pla s LYS 91 CO 0.24 -0.19 0.46 0.20 -0.92 0.00 0.00 175.35 175.15 1pla s GLY 92 N -3.38 -0.33 -0.08 -3.33 0.00 0.73 -4.16 107.32 96.77 1pla s GLY 92 Ca 0.34 0.89 -0.18 0.00 0.00 0.00 0.00 44.72 45.77 1pla s GLY 92 CO 0.13 0.65 0.43 1.85 0.00 0.00 0.00 173.10 176.16 1pla s GLU 93 N -0.86 0.69 -0.04 2.90 2.12 -1.08 -0.06 118.70 122.38 1pla s GLU 93 Ca -0.09 0.20 -0.00 0.00 0.36 0.00 0.00 54.97 55.43 1pla s GLU 93 Cb -0.03 0.32 0.03 0.00 0.26 0.00 0.00 34.13 34.71 1pla s GLU 93 CO 0.05 -0.17 0.01 0.54 -0.54 0.00 0.00 175.26 175.15 1pla s VAL 94 N -0.72 0.18 -0.57 3.70 0.11 -1.11 -2.54 120.40 119.44 1pla s VAL 94 Ca -0.08 0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 58.95 1pla s VAL 94 Cb -0.03 -0.30 0.14 0.00 -1.53 0.00 0.00 36.38 34.66 1pla s VAL 94 CO 0.04 0.16 0.50 -0.89 -3.33 0.00 0.00 175.10 171.59 1pla s THR 95 N 1.25 4.99 0.35 5.04 2.01 -0.88 -2.19 115.64 126.22 1pla s THR 95 Ca -0.07 -1.77 -0.25 0.00 0.31 0.00 0.00 61.69 59.92 1pla s THR 95 Cb -0.13 -4.20 -0.10 0.00 0.01 0.00 0.00 72.50 68.08 1pla s THR 95 CO -0.02 -0.87 0.96 -0.69 -0.69 0.00 0.00 174.62 173.30 1pla s VAL 96 N 1.27 4.19 0.00 3.82 1.01 -0.63 -1.20 120.40 128.85 1pla s VAL 96 Ca 0.06 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.75 1pla s VAL 96 Cb -0.26 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1pla s VAL 96 CO 0.00 0.04 0.00 0.59 0.00 0.00 0.00 175.10 175.73