#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 0.24 -0.11 0.00 2.02 -1.26 -1.90 118.70 117.68 1pla s GLU 2 Ca 0.00 -0.24 -0.01 0.00 0.02 0.00 0.00 54.97 54.74 1pla s GLU 2 Cb 0.00 -0.15 0.03 0.00 0.10 0.00 0.00 34.13 34.11 1pla s GLU 2 CO 0.00 0.04 -0.04 0.08 0.02 0.00 0.00 175.26 175.35 1pla s VAL 3 N -0.41 0.83 -0.34 2.63 1.01 -0.83 -4.42 120.40 118.86 1pla s VAL 3 Ca -0.03 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.51 1pla s VAL 3 Cb -0.03 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1pla s VAL 3 CO -0.00 0.27 0.66 -0.54 0.00 0.00 0.00 175.10 175.49 1pla s LYS 4 N 1.78 3.75 -0.55 2.72 1.02 0.19 0.17 119.74 128.81 1pla s LYS 4 Ca 0.04 0.16 -0.28 0.00 0.02 0.00 0.00 55.97 55.91 1pla s LYS 4 Cb -0.13 -3.79 0.02 0.00 -0.52 0.00 0.00 37.83 33.41 1pla s LYS 4 CO -0.07 -0.71 1.37 -0.51 -0.92 0.00 0.00 175.35 174.50 1pla s LEU 5 N 2.75 3.43 0.00 3.17 1.43 0.89 -2.57 118.68 127.77 1pla s LEU 5 Ca 0.26 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 1pla s LEU 5 Cb -0.14 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 42.96 1pla s LEU 5 CO 0.14 -1.64 0.00 0.61 0.23 0.00 0.00 176.35 175.69 1pla n GLY 6 N 5.20 2.93 3.85 -3.19 0.00 -1.02 -2.57 105.19 110.40 1pla n GLY 6 Ca 0.12 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 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 4.14 0.07 1.61 1.04 0.69 -4.63 113.70 116.62 1pla s SER 7 Ca 0.00 0.88 -0.22 0.00 0.48 0.00 0.00 55.95 57.10 1pla s SER 7 Cb 0.00 -1.43 -0.12 0.00 0.10 0.00 0.00 66.02 64.57 1pla s SER 7 CO 0.00 -2.15 1.59 0.44 0.98 0.00 0.00 173.24 174.11 1pla h ASP 8 N -1.22 0.17 0.10 7.02 5.19 -1.98 -3.17 116.42 122.53 1pla h ASP 8 Ca -0.48 -0.18 0.01 0.00 -0.62 0.00 0.00 57.03 55.76 1pla h ASP 8 Cb 1.33 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.77 1pla h ASP 8 CO 0.64 0.30 -0.19 -2.24 -3.12 0.00 0.00 179.24 174.64 1pla h ASP 9 N 0.02 -0.52 0.00 6.45 2.03 -2.03 -3.45 116.42 118.92 1pla h ASP 9 Ca 0.04 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1pla h ASP 9 Cb 0.19 0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 1pla h ASP 9 CO -0.00 -0.27 0.00 0.61 -1.03 0.00 0.00 179.24 178.55 1pla n GLY 10 N -1.31 -0.20 3.84 7.15 0.00 -1.20 -5.16 105.19 108.31 1pla n GLY 10 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 1.63 -0.51 -0.02 0.00 -1.26 -4.79 107.32 102.38 1pla s GLY 11 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.47 1pla s GLY 11 CO 0.00 0.16 0.31 1.08 0.00 0.00 0.00 173.10 174.65 1pla s LEU 12 N -5.58 5.17 0.07 0.66 1.43 -1.26 -0.22 118.68 118.95 1pla s LEU 12 Ca 0.59 -2.46 -0.13 0.00 -1.03 0.00 0.00 54.13 51.10 1pla s LEU 12 Cb -0.13 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.29 1pla s LEU 12 CO 0.53 -0.44 0.30 0.68 0.23 0.00 0.00 176.35 177.66 1pla s VAL 13 N 0.51 0.09 -0.32 -1.59 -7.23 -1.26 -4.45 120.40 106.15 1pla s VAL 13 Ca 0.13 -0.76 -0.29 0.00 -1.81 0.00 0.00 61.98 59.25 1pla s VAL 13 Cb -0.22 -1.07 0.01 0.00 0.56 0.00 0.00 36.38 35.66 1pla s VAL 13 CO -0.04 -0.42 1.20 -0.36 -0.31 0.00 0.00 175.10 175.17 1pla s PHE 14 N -3.10 2.88 -0.31 2.82 0.40 -1.26 -2.44 117.98 116.97 1pla s PHE 14 Ca -0.01 0.98 0.00 0.00 -0.60 0.00 0.00 56.93 57.30 1pla s PHE 14 Cb 0.01 -3.88 0.07 0.00 0.51 0.00 0.00 43.02 39.73 1pla s PHE 14 CO -0.07 -1.31 0.00 -1.12 0.70 0.00 0.00 175.22 173.43 1pla s SER 15 N 2.32 4.79 1.23 1.36 0.01 -1.06 -0.54 113.70 121.81 1pla s SER 15 Ca 0.51 -1.56 -0.18 0.00 1.31 0.00 0.00 55.95 56.03 1pla s SER 15 Cb -0.14 -1.67 0.30 0.00 0.21 0.00 0.00 66.02 64.72 1pla s SER 15 CO 0.21 -0.30 1.05 -2.16 0.41 0.00 0.00 173.24 172.45 1pla s PRO 16 N 1.14 -1.43 -0.15 12.44 0.04 -1.26 0.53 135.00 146.30 1pla s PRO 16 Ca -0.02 0.20 0.01 0.00 0.04 0.00 0.00 61.00 61.23 1pla s PRO 16 Cb -0.20 -1.55 -0.23 0.00 0.04 0.00 0.00 34.50 32.56 1pla s PRO 16 CO -0.04 -3.90 0.22 0.43 0.04 0.00 0.00 177.00 173.75 1pla n SER 17 N -4.94 1.67 -3.81 6.66 7.64 0.30 -4.88 113.62 116.26 1pla n SER 17 Ca 0.10 0.12 -0.12 0.00 1.01 0.00 0.00 58.87 59.98 1pla n SER 17 Cb 0.59 -0.42 -0.11 0.00 -1.01 0.00 0.00 64.21 63.25 1pla n SER 17 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1pla s SER 18 N -6.59 -0.16 -0.18 6.43 0.01 -1.26 -2.04 113.70 109.91 1pla s SER 18 Ca -0.22 0.27 -0.28 0.00 1.31 0.00 0.00 55.95 57.02 1pla s SER 18 Cb 0.07 0.37 0.11 0.00 0.21 0.00 0.00 66.02 66.78 1pla s SER 18 CO 0.74 -0.15 0.91 0.72 0.41 0.00 0.00 173.24 175.87 1pla s PHE 19 N -0.28 -0.50 0.49 2.43 -0.71 -0.93 -4.99 117.98 113.48 1pla s PHE 19 Ca -0.04 1.01 -0.03 0.00 -1.04 0.00 0.00 56.93 56.83 1pla s PHE 19 Cb -0.03 0.40 -0.01 0.00 -1.21 0.00 0.00 43.02 42.17 1pla s PHE 19 CO 0.01 -0.37 0.76 0.95 -1.34 0.00 0.00 175.22 175.22 1pla s THR 20 N -0.61 4.11 0.31 -4.49 -4.23 -1.26 -2.05 115.64 107.42 1pla s THR 20 Ca -0.02 -0.22 -0.07 0.00 -1.18 0.00 0.00 61.69 60.20 1pla s THR 20 Cb -0.02 -3.56 0.01 0.00 1.34 0.00 0.00 72.50 70.27 1pla s THR 20 CO 0.01 -0.48 0.50 0.68 -0.54 0.00 0.00 174.62 174.80 1pla s VAL 21 N -2.71 0.00 0.16 2.29 -7.23 0.11 -4.83 120.40 108.19 1pla s VAL 21 Ca 0.49 -1.49 -0.12 0.00 -1.81 0.00 0.00 61.98 59.06 1pla s VAL 21 Cb -0.10 -2.53 -0.07 0.00 0.56 0.00 0.00 36.38 34.24 1pla s VAL 21 CO 0.41 0.00 0.53 0.00 -0.31 0.00 0.00 175.10 175.73 1pla s ALA 22 N -3.30 3.60 -0.73 1.32 0.00 -1.26 0.27 121.76 121.66 1pla s ALA 22 Ca 0.27 -0.22 -0.26 0.00 0.00 0.00 0.00 51.96 51.75 1pla s ALA 22 Cb -0.01 -2.45 -0.22 0.00 0.00 0.00 0.00 23.12 20.44 1pla s ALA 22 CO 0.16 0.49 1.88 0.00 0.00 0.00 0.00 175.76 178.29 1pla n ALA 23 N 0.51 1.55 0.00 0.00 0.00 0.12 -1.28 120.51 121.42 1pla n ALA 23 Ca -0.04 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 50.58 1pla n ALA 23 Cb 0.52 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.41 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 5.33 -0.03 3.90 0.00 0.00 -1.24 -4.93 105.19 108.22 1pla n GLY 24 Ca 0.46 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 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 3.56 -0.07 1.61 2.56 -0.40 -5.07 118.70 120.88 1pla s GLU 25 Ca 0.00 -0.20 -0.14 0.00 0.00 0.00 0.00 54.97 54.63 1pla s GLU 25 Cb 0.00 -2.91 -0.05 0.00 2.00 0.00 0.00 34.13 33.17 1pla s GLU 25 CO 0.00 0.51 0.35 -1.59 -0.56 0.00 0.00 175.26 173.97 1pla s LYS 26 N -2.62 3.99 0.14 4.30 -2.85 -1.26 -4.42 119.74 117.03 1pla s LYS 26 Ca 0.39 0.26 0.10 0.00 -1.00 0.00 0.00 55.97 55.72 1pla s LYS 26 Cb -0.12 -3.30 -0.04 0.00 -2.06 0.00 0.00 37.83 32.31 1pla s LYS 26 CO 0.26 0.52 -0.23 0.42 0.10 0.00 0.00 175.35 176.42 1pla s ILE 27 N -0.45 2.50 -0.09 3.79 1.01 -0.85 -2.04 121.20 125.07 1pla s ILE 27 Ca 0.21 -1.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.10 1pla s ILE 27 Cb -0.15 -2.14 0.05 0.00 0.01 0.00 0.00 42.46 40.22 1pla s ILE 27 CO 0.09 0.04 0.13 0.42 0.00 0.00 0.00 174.94 175.62 1pla s THR 28 N -1.23 -0.20 -0.13 2.92 -4.23 -0.80 -2.06 115.64 109.90 1pla s THR 28 Ca 0.17 0.30 -0.26 0.00 -1.18 0.00 0.00 61.69 60.72 1pla s THR 28 Cb -0.10 -0.30 -0.02 0.00 1.34 0.00 0.00 72.50 73.43 1pla s THR 28 CO 0.08 0.10 0.85 -0.36 -0.54 0.00 0.00 174.62 174.75 1pla s PHE 29 N 2.24 3.48 -0.12 3.99 0.08 0.97 -1.96 117.98 126.66 1pla s PHE 29 Ca 0.04 1.35 -0.01 0.00 0.12 0.00 0.00 56.93 58.42 1pla s PHE 29 Cb -0.13 -3.02 -0.03 0.00 -0.57 0.00 0.00 43.02 39.28 1pla s PHE 29 CO -0.06 -0.17 -0.06 0.21 -0.10 0.00 0.00 175.22 175.04 1pla s LYS 30 N 1.84 3.28 -0.58 0.44 2.47 0.13 -1.45 119.74 125.86 1pla s LYS 30 Ca 0.41 -0.56 -0.22 0.00 -1.56 0.00 0.00 55.97 54.04 1pla s LYS 30 Cb -0.17 -2.75 0.06 0.00 -1.46 0.00 0.00 37.83 33.51 1pla s LYS 30 CO 0.15 0.40 0.86 -0.80 0.16 0.00 0.00 175.35 176.12 1pla s ASN 31 N -0.08 6.25 -0.04 1.43 -0.87 -1.24 -0.08 114.94 120.30 1pla s ASN 31 Ca 0.01 -0.78 0.11 0.00 -1.57 0.00 0.00 52.86 50.63 1pla s ASN 31 Cb -0.13 -2.39 -0.23 0.00 -0.02 0.00 0.00 41.25 38.48 1pla s ASN 31 CO 0.03 -1.22 0.67 -1.13 -2.57 0.00 0.00 177.10 172.88 1pla h ASN 32 N 9.32 0.03 0.00 -1.22 -1.24 -1.82 -3.17 115.58 117.48 1pla h ASN 32 Ca -0.28 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.67 1pla h ASN 32 Cb 1.08 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.12 1pla h ASN 32 CO 1.09 1.05 0.00 0.00 -1.29 0.00 0.00 177.43 178.29 1pla n ALA 33 N -2.57 0.00 0.00 1.57 0.00 -1.06 -4.97 120.51 113.47 1pla n ALA 33 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1pla n ALA 33 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 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 -0.55 0.90 3.23 0.00 0.00 -1.26 -3.95 105.19 103.55 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 -0.73 -2.52 -2.60 1.61 -1.74 -1.26 -4.60 117.46 105.63 1pla n PHE 35 Ca 0.00 0.19 -0.41 0.00 -0.56 0.00 0.00 57.45 56.67 1pla n PHE 35 Cb 0.00 -1.60 -0.05 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 -2.96 4.70 0.55 3.97 0.04 -1.26 -5.08 135.00 134.96 1pla s PRO 36 Ca 0.50 1.64 0.08 0.00 0.04 0.00 0.00 61.00 63.26 1pla s PRO 36 Cb -0.15 -3.27 0.06 0.00 0.04 0.00 0.00 34.50 31.18 1pla s PRO 36 CO 0.72 0.26 0.62 -1.01 0.04 0.00 0.00 177.00 177.63 1pla s HIS 37 N -0.72 1.62 -0.18 0.56 3.76 -0.71 -4.88 115.29 114.74 1pla s HIS 37 Ca 0.45 -0.74 -0.18 0.00 -0.15 0.00 0.00 55.06 54.45 1pla s HIS 37 Cb -0.28 -2.11 0.05 0.00 1.11 0.00 0.00 32.58 31.34 1pla s HIS 37 CO 0.35 -0.83 0.50 1.21 -0.85 0.00 0.00 174.74 175.12 1pla s ASN 38 N -4.49 -0.52 -0.31 1.40 3.04 -1.26 -2.48 114.94 110.32 1pla s ASN 38 Ca 0.51 0.98 -0.01 0.00 0.04 0.00 0.00 52.86 54.38 1pla s ASN 38 Cb -0.05 1.00 0.10 0.00 -1.54 0.00 0.00 41.25 40.77 1pla s ASN 38 CO 0.32 -0.19 0.11 -0.63 -3.04 0.00 0.00 177.10 173.67 1pla s ILE 39 N 0.21 0.74 0.16 -5.21 1.09 -1.26 -3.68 121.20 113.25 1pla s ILE 39 Ca -0.00 -1.35 0.10 0.00 -1.10 0.00 0.00 60.65 58.30 1pla s ILE 39 Cb -0.03 -1.57 -0.04 0.00 -1.06 0.00 0.00 42.46 39.76 1pla s ILE 39 CO 0.01 -0.70 -0.23 -0.69 -0.10 0.00 0.00 174.94 173.23 1pla s VAL 40 N 1.64 2.14 -0.23 2.92 1.01 -1.05 0.20 120.40 127.03 1pla s VAL 40 Ca 0.10 -1.86 -0.08 0.00 0.00 0.00 0.00 61.98 60.14 1pla s VAL 40 Cb -0.17 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1pla s VAL 40 CO -0.26 -0.08 0.08 -0.36 0.00 0.00 0.00 175.10 174.48 1pla s PHE 41 N -1.48 3.14 -0.10 5.22 0.40 -1.26 -2.29 117.98 121.60 1pla s PHE 41 Ca 0.16 -0.23 -0.33 0.00 -0.60 0.00 0.00 56.93 55.93 1pla s PHE 41 Cb -0.08 -2.20 -0.10 0.00 0.51 0.00 0.00 43.02 41.14 1pla s PHE 41 CO 0.07 -0.19 1.96 -3.47 0.70 0.00 0.00 175.22 174.29 1pla n ASP 42 N 4.54 3.46 -0.79 1.36 2.03 -0.78 -4.78 116.55 121.58 1pla n ASP 42 Ca -0.16 0.83 0.00 0.00 0.52 0.00 0.00 54.79 55.98 1pla n ASP 42 Cb 0.52 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1pla n ASP 42 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1pla n GLU 43 N 7.18 0.66 0.00 -0.67 2.13 -1.26 -2.24 120.64 126.44 1pla n GLU 43 Ca 0.25 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.07 1pla n GLU 43 Cb 0.33 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 30.80 1pla n GLU 43 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1pla n ASP 44 N 0.46 0.65 -2.78 4.31 8.00 -1.26 -4.82 116.55 121.10 1pla n ASP 44 Ca 0.00 -1.10 -0.10 0.00 0.71 0.00 0.00 54.79 54.30 1pla n ASP 44 Cb 0.26 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.41 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 -0.05 1.11 -4.11 -1.24 1.02 -0.95 -5.11 120.64 111.31 1pla n GLU 45 Ca 0.00 -2.78 -0.14 0.00 -0.02 0.00 0.00 57.16 54.22 1pla n GLU 45 Cb 0.16 -1.01 -0.12 0.00 -0.02 0.00 0.00 31.44 30.45 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 -1.80 0.62 0.27 2.62 1.01 -1.26 -3.01 120.40 118.86 1pla s VAL 46 Ca 0.28 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 61.02 1pla s VAL 46 Cb 0.41 -0.64 -0.15 0.00 0.00 0.00 0.00 36.38 36.00 1pla s VAL 46 CO -0.03 -0.26 0.89 -2.65 0.00 0.00 0.00 175.10 173.06 1pla n PRO 47 N 1.71 1.03 -2.26 2.72 -0.01 -1.26 -4.77 135.00 132.16 1pla n PRO 47 Ca -0.21 0.36 -0.33 0.00 -0.01 0.00 0.00 63.50 63.31 1pla n PRO 47 Cb 0.55 -1.65 -0.04 0.00 -0.01 0.00 0.00 33.50 32.35 1pla n PRO 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1pla s ALA 48 N -1.06 2.28 0.00 3.55 0.00 -1.26 -2.71 121.76 122.57 1pla s ALA 48 Ca 0.60 -2.26 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1pla s ALA 48 Cb -0.75 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 17.74 1pla s ALA 48 CO 0.59 -4.46 0.00 0.41 0.00 0.00 0.00 175.76 172.30 1pla n GLY 49 N 6.01 1.27 3.54 0.00 0.00 -1.26 -5.10 105.19 109.64 1pla n GLY 49 Ca 0.44 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 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 4.56 0.73 1.61 1.01 -1.10 -5.01 120.40 122.19 1pla s VAL 50 Ca 0.00 0.46 -0.16 0.00 0.00 0.00 0.00 61.98 62.28 1pla s VAL 50 Cb 0.00 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1pla s VAL 50 CO 0.00 -0.83 0.55 0.59 0.00 0.00 0.00 175.10 175.41 1pla n ASN 51 N 6.96 -1.13 -0.15 3.32 4.13 -1.26 -4.74 115.26 122.39 1pla n ASN 51 Ca 0.03 0.59 0.05 0.00 1.68 0.00 0.00 54.58 56.93 1pla n ASN 51 Cb 0.48 -1.23 -0.02 0.00 -1.54 0.00 0.00 39.78 37.48 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 -2.42 2.99 0.52 5.41 0.00 -1.26 -4.42 120.51 121.32 1pla n ALA 52 Ca 0.10 -0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.27 1pla n ALA 52 Cb 0.50 -0.36 0.11 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.58 0.33 -0.02 0.00 4.71 -1.26 -2.96 120.64 120.86 1pla n GLU 53 Ca 0.03 0.06 -0.07 0.00 -0.01 0.00 0.00 57.16 57.18 1pla n GLU 53 Cb 0.19 -1.67 -0.13 0.00 -1.01 0.00 0.00 31.44 28.82 1pla n GLU 53 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1pla n LYS 54 N -2.13 0.64 -0.04 3.49 5.02 -1.26 -4.04 118.16 119.83 1pla n LYS 54 Ca 0.02 0.23 0.12 0.00 -2.02 0.00 0.00 58.31 56.66 1pla n LYS 54 Cb 0.45 -1.75 0.18 0.00 -0.02 0.00 0.00 35.03 33.89 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 -2.95 0.11 -2.69 -0.18 -5.35 -1.26 -4.95 119.36 102.09 1pla n ILE 55 Ca -0.18 -0.52 -0.19 0.00 -0.27 0.00 0.00 62.75 61.59 1pla n ILE 55 Cb 1.01 1.26 0.09 0.00 -1.74 0.00 0.00 39.64 40.26 1pla n ILE 55 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1pla n SER 56 N 1.22 1.36 -3.19 7.28 7.64 -1.15 -4.84 113.62 121.93 1pla n SER 56 Ca 0.16 -2.09 -0.24 0.00 1.01 0.00 0.00 58.87 57.70 1pla n SER 56 Cb 0.57 -0.52 -0.07 0.00 -1.01 0.00 0.00 64.21 63.18 1pla n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pla n GLN 57 N -2.49 0.75 0.33 1.43 6.02 0.55 -4.94 117.38 119.01 1pla n GLN 57 Ca 0.14 -3.25 0.21 0.00 -0.01 0.00 0.00 57.00 54.09 1pla n GLN 57 Cb 0.52 -1.23 1.13 0.00 1.02 0.00 0.00 30.24 31.68 1pla n GLN 57 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1pla h PRO 58 N 3.99 0.00 -5.40 -1.09 0.11 -1.93 -3.36 132.00 124.33 1pla h PRO 58 Ca 0.07 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.53 1pla h PRO 58 Cb 0.88 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.83 1pla h PRO 58 CO 0.47 0.00 0.13 -2.00 -0.21 0.00 0.00 178.00 176.38 1pla s GLU 59 N -4.29 3.27 1.01 1.05 -6.30 -1.26 -5.03 118.70 107.16 1pla s GLU 59 Ca -0.05 -0.38 -0.22 0.00 -2.50 0.00 0.00 54.97 51.82 1pla s GLU 59 Cb 0.13 -3.95 -0.11 0.00 0.00 0.00 0.00 34.13 30.20 1pla s GLU 59 CO 0.44 -1.02 -0.91 0.66 0.02 0.00 0.00 175.26 174.46 1pla n TYR 60 N 6.27 -2.49 -3.95 5.30 4.01 -1.26 -4.96 117.16 120.08 1pla n TYR 60 Ca -0.02 0.34 -0.10 0.00 -0.16 0.00 0.00 57.90 57.97 1pla n TYR 60 Cb 0.48 -1.46 -0.11 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 5.67 2.15 0.00 7.72 0.05 -1.04 -5.02 118.68 128.21 1pla s LEU 61 Ca 0.42 -0.40 0.04 0.00 0.05 0.00 0.00 54.13 54.24 1pla s LEU 61 Cb -0.04 0.13 0.06 0.00 -2.05 0.00 0.00 46.19 44.29 1pla s LEU 61 CO 0.71 -0.26 0.86 -0.46 -0.55 0.00 0.00 176.35 176.65 1pla n ASN 62 N 1.82 0.03 -4.53 1.48 0.23 -1.26 -1.73 115.26 111.30 1pla n ASN 62 Ca -0.22 -1.67 -0.42 0.00 -0.53 0.00 0.00 54.58 51.74 1pla n ASN 62 Cb 0.56 -0.09 -0.03 0.00 -2.08 0.00 0.00 39.78 38.14 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 -0.81 1.15 -0.18 4.83 0.00 -1.26 -4.94 107.32 106.10 1pla s GLY 63 Ca 0.05 -1.34 -0.31 0.00 0.00 0.00 0.00 44.72 43.12 1pla s GLY 63 CO -0.02 2.36 2.12 0.00 0.00 0.00 0.00 173.10 177.56 1pla n ALA 64 N 8.41 1.46 0.00 3.20 0.00 -1.26 0.36 120.51 132.69 1pla n ALA 64 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1pla n ALA 64 Cb 0.48 -2.74 0.00 0.00 0.00 0.00 0.00 19.45 17.19 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 5.51 2.97 3.71 0.00 0.00 -1.20 -5.03 105.19 111.15 1pla n GLY 65 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.89 4.23 0.36 1.61 2.56 0.16 -4.59 118.70 122.14 1pla s GLU 66 Ca 0.00 2.28 0.08 0.00 0.00 0.00 0.00 54.97 57.33 1pla s GLU 66 Cb 0.00 -3.32 -0.04 0.00 2.00 0.00 0.00 34.13 32.77 1pla s GLU 66 CO 0.00 -0.61 0.20 0.95 -0.56 0.00 0.00 175.26 175.24 1pla s THR 67 N 1.64 2.90 -0.00 -1.70 -4.23 -1.26 -3.69 115.64 109.30 1pla s THR 67 Ca 0.70 -1.61 0.02 0.00 -1.18 0.00 0.00 61.69 59.61 1pla s THR 67 Cb -0.41 -3.01 -0.00 0.00 1.34 0.00 0.00 72.50 70.42 1pla s THR 67 CO 0.31 -0.12 -0.05 -0.47 -0.54 0.00 0.00 174.62 173.74 1pla s TYR 68 N -2.45 0.49 0.23 3.99 6.14 -0.53 -4.94 117.35 120.28 1pla s TYR 68 Ca 0.40 -0.09 0.07 0.00 0.64 0.00 0.00 57.07 58.09 1pla s TYR 68 Cb -0.02 -0.32 -0.04 0.00 0.42 0.00 0.00 41.96 42.00 1pla s TYR 68 CO 0.24 -0.01 0.09 -1.21 0.64 0.00 0.00 175.55 175.30 1pla s GLU 69 N -0.11 2.65 -0.27 4.97 8.01 -1.26 -0.02 118.70 132.66 1pla s GLU 69 Ca 0.02 -1.14 -0.23 0.00 0.01 0.00 0.00 54.97 53.63 1pla s GLU 69 Cb -0.02 -2.42 0.07 0.00 -4.31 0.00 0.00 34.13 27.45 1pla s GLU 69 CO -0.00 0.41 0.71 0.54 0.01 0.00 0.00 175.26 176.94 1pla s VAL 70 N -2.05 0.00 -0.36 2.63 0.11 -0.87 -4.99 120.40 114.86 1pla s VAL 70 Ca 0.31 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.37 1pla s VAL 70 Cb -0.08 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.88 1pla s VAL 70 CO 0.22 0.00 0.12 -0.89 -3.33 0.00 0.00 175.10 171.23 1pla s THR 71 N 0.69 1.45 0.57 5.04 2.01 -1.26 -2.01 115.64 122.14 1pla s THR 71 Ca -0.02 -2.01 -0.10 0.00 0.31 0.00 0.00 61.69 59.87 1pla s THR 71 Cb -0.05 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1pla s THR 71 CO -0.04 -0.71 0.97 -0.76 -0.69 0.00 0.00 174.62 173.38 1pla s LEU 72 N 1.05 3.37 -0.37 4.42 1.43 -1.26 -5.00 118.68 122.32 1pla s LEU 72 Ca 0.12 1.32 0.13 0.00 -1.03 0.00 0.00 54.13 54.67 1pla s LEU 72 Cb -0.20 -4.33 0.41 0.00 0.03 0.00 0.00 46.19 42.10 1pla s LEU 72 CO -0.14 -0.77 1.15 0.35 0.23 0.00 0.00 176.35 177.18 1pla n THR 73 N -2.48 0.41 -3.42 5.49 -2.24 -1.26 -3.73 114.28 107.05 1pla n THR 73 Ca 0.05 -2.27 -0.19 0.00 -2.27 0.00 0.00 64.05 59.37 1pla n THR 73 Cb 0.54 0.83 -0.10 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 -1.30 0.31 -0.46 -0.78 2.56 -1.26 -4.99 118.70 112.78 1pla s GLU 74 Ca 0.25 -0.21 -0.43 0.00 0.00 0.00 0.00 54.97 54.58 1pla s GLU 74 Cb 0.42 -0.73 -0.18 0.00 2.00 0.00 0.00 34.13 35.64 1pla s GLU 74 CO -0.03 -1.03 2.04 0.36 -0.56 0.00 0.00 175.26 176.04 1pla n LYS 75 N 5.29 0.24 0.00 4.30 2.85 -1.26 -4.60 118.16 124.98 1pla n LYS 75 Ca -0.02 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1pla n LYS 75 Cb 0.46 -1.69 0.00 0.00 -0.65 0.00 0.00 35.03 33.14 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 6.61 -0.68 2.86 2.58 0.00 -0.89 -4.96 105.19 110.71 1pla n GLY 76 Ca 0.47 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 0.01 0.09 2.61 -4.23 -1.26 -1.84 115.64 107.03 1pla s THR 77 Ca 0.00 0.03 0.10 0.00 -1.18 0.00 0.00 61.69 60.63 1pla s THR 77 Cb 0.00 -0.04 -0.03 0.00 1.34 0.00 0.00 72.50 73.77 1pla s THR 77 CO 0.00 0.02 -0.25 -0.31 -0.54 0.00 0.00 174.62 173.54 1pla s TYR 78 N 0.17 2.18 -0.19 3.99 1.51 -0.97 -4.31 117.35 119.74 1pla s TYR 78 Ca -0.01 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.63 1pla s TYR 78 Cb -0.02 -1.23 -0.01 0.00 -0.11 0.00 0.00 41.96 40.59 1pla s TYR 78 CO -0.00 0.23 -0.08 0.15 -1.11 0.00 0.00 175.55 174.74 1pla s LYS 79 N -1.70 3.37 0.08 -0.62 -0.14 -1.16 -2.83 119.74 116.74 1pla s LYS 79 Ca 0.11 -0.65 0.01 0.00 -1.36 0.00 0.00 55.97 54.09 1pla s LYS 79 Cb -0.10 -2.86 -0.04 0.00 -1.68 0.00 0.00 37.83 33.15 1pla s LYS 79 CO 0.04 -0.05 -0.06 -0.59 -0.76 0.00 0.00 175.35 173.93 1pla s PHE 80 N 1.06 0.76 0.15 3.18 -0.71 -0.72 -1.87 117.98 119.83 1pla s PHE 80 Ca 0.00 -0.90 -0.23 0.00 -1.04 0.00 0.00 56.93 54.77 1pla s PHE 80 Cb -0.15 -0.46 0.08 0.00 -1.21 0.00 0.00 43.02 41.28 1pla s PHE 80 CO -0.01 -0.20 1.09 1.52 -1.34 0.00 0.00 175.22 176.28 1pla s TYR 81 N -3.40 0.08 -0.22 3.49 1.13 -0.97 0.20 117.35 117.66 1pla s TYR 81 Ca 0.08 -0.44 -0.08 0.00 -1.41 0.00 0.00 57.07 55.22 1pla s TYR 81 Cb 0.04 0.68 -0.04 0.00 -1.10 0.00 0.00 41.96 41.54 1pla s TYR 81 CO -0.05 -0.82 0.09 0.00 -2.51 0.00 0.00 175.55 172.25 1pla h GLU 83 N 7.54 0.51 0.24 0.00 4.22 -1.90 -2.09 114.58 123.10 1pla h GLU 83 Ca -0.37 -0.30 -0.01 0.00 0.08 0.00 0.00 59.36 58.76 1pla h GLU 83 Cb 1.17 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1pla h GLU 83 CO 0.63 0.89 -0.12 -1.35 -2.18 0.00 0.00 179.01 176.89 1pla h PRO 84 N 0.17 -0.31 -0.00 0.92 0.11 -1.94 -2.91 132.00 128.04 1pla h PRO 84 Ca 0.02 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1pla h PRO 84 Cb 0.83 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1pla h PRO 84 CO 0.06 0.01 0.00 0.72 -0.21 0.00 0.00 178.00 178.58 1pla n HIS 85 N -5.09 0.00 0.00 0.65 8.25 -1.25 -3.86 115.22 113.92 1pla n HIS 85 Ca -0.09 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1pla n HIS 85 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 -0.58 0.97 0.17 -1.41 0.00 -0.78 -0.54 120.51 118.34 1pla n ALA 86 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.53 1pla n ALA 86 Cb 0.02 -0.87 0.20 0.00 0.00 0.00 0.00 19.45 18.80 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 0.76 0.00 0.00 -1.82 -3.26 103.07 98.75 1pla h GLY 87 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 1pla h GLY 87 CO 0.00 0.00 -1.88 0.00 0.00 0.00 0.00 176.54 174.66 1pla n ALA 88 N -2.24 1.19 0.00 3.60 0.00 0.30 -4.98 120.51 118.39 1pla n ALA 88 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1pla n ALA 88 Cb 0.61 -0.74 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 1.79 1.52 3.59 0.00 0.00 -1.20 -5.08 105.19 105.83 1pla n GLY 89 Ca -0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 3.10 0.18 1.61 0.00 -1.25 -4.94 119.30 118.00 1pla s MET 90 Ca 0.00 1.76 0.04 0.00 0.00 0.00 0.00 55.69 57.49 1pla s MET 90 Cb 0.00 -4.34 -0.05 0.00 0.00 0.00 0.00 34.83 30.45 1pla s MET 90 CO 0.00 -2.14 -0.06 0.15 0.00 0.00 0.00 175.02 172.97 1pla s LYS 91 N 6.31 1.17 0.01 4.11 1.02 -1.26 -2.68 119.74 128.41 1pla s LYS 91 Ca 0.93 -1.54 -0.02 0.00 0.02 0.00 0.00 55.97 55.36 1pla s LYS 91 Cb -0.28 -0.60 -0.01 0.00 -0.52 0.00 0.00 37.83 36.42 1pla s LYS 91 CO 0.34 0.00 0.02 0.20 -0.92 0.00 0.00 175.35 174.99 1pla s GLY 92 N -3.22 0.14 -0.13 -3.33 0.00 0.53 -4.28 107.32 97.03 1pla s GLY 92 Ca 0.21 -0.35 -0.11 0.00 0.00 0.00 0.00 44.72 44.48 1pla s GLY 92 CO 0.04 -0.42 0.33 -0.54 0.00 0.00 0.00 173.10 172.51 1pla s GLU 93 N -1.13 0.37 -0.05 2.90 2.02 -0.87 -1.75 118.70 120.20 1pla s GLU 93 Ca -0.12 0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.37 1pla s GLU 93 Cb -0.07 0.14 0.02 0.00 0.10 0.00 0.00 34.13 34.32 1pla s GLU 93 CO -0.00 -0.07 -0.03 0.54 0.02 0.00 0.00 175.26 175.72 1pla s VAL 94 N 0.40 0.44 -0.47 2.63 0.11 -1.13 -2.19 120.40 120.19 1pla s VAL 94 Ca -0.02 -0.04 -0.09 0.00 -2.93 0.00 0.00 61.98 58.90 1pla s VAL 94 Cb -0.04 -0.50 0.12 0.00 -1.53 0.00 0.00 36.38 34.43 1pla s VAL 94 CO -0.02 0.21 0.34 -0.89 -3.33 0.00 0.00 175.10 171.41 1pla s THR 95 N 1.12 4.20 0.32 5.04 2.01 -0.87 -2.29 115.64 125.17 1pla s THR 95 Ca -0.08 -1.76 -0.25 0.00 0.31 0.00 0.00 61.69 59.91 1pla s THR 95 Cb -0.14 -3.75 -0.10 0.00 0.01 0.00 0.00 72.50 68.52 1pla s THR 95 CO -0.01 -0.75 0.93 -0.69 -0.69 0.00 0.00 174.62 173.40 1pla s VAL 96 N 1.36 4.25 0.00 3.82 1.01 -0.76 -0.71 120.40 129.37 1pla s VAL 96 Ca 0.06 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.80 1pla s VAL 96 Cb -0.26 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1pla s VAL 96 CO -0.01 0.12 0.42 -3.20 0.00 0.00 0.00 175.10 172.44