#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3p s GLU 2 N 0.00 3.29 0.43 0.00 8.01 -1.26 -5.08 118.70 124.09 2a3p s GLU 2 Ca 0.00 -0.38 -0.26 0.00 0.01 0.00 0.00 54.97 54.34 2a3p s GLU 2 Cb 0.00 -2.93 -0.09 0.00 -4.31 0.00 0.00 34.13 26.80 2a3p s GLU 2 CO 0.00 0.58 1.45 0.00 0.01 0.00 0.00 175.26 177.30 2a3p s ALA 3 N -0.53 3.34 0.84 5.21 0.00 -1.26 -4.99 121.76 124.36 2a3p s ALA 3 Ca 0.10 1.51 -0.12 0.00 0.00 0.00 0.00 51.96 53.44 2a3p s ALA 3 Cb -0.12 -3.60 0.10 0.00 0.00 0.00 0.00 23.12 19.50 2a3p s ALA 3 CO 0.02 -1.17 1.16 -1.25 0.00 0.00 0.00 175.76 174.52 2a3p s PRO 4 N -2.35 1.74 1.09 0.00 0.04 -1.26 -5.04 135.00 129.21 2a3p s PRO 4 Ca 0.59 0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.72 2a3p s PRO 4 Cb -0.45 -1.92 0.24 0.00 0.04 0.00 0.00 34.50 32.42 2a3p s PRO 4 CO 0.59 -1.77 1.07 0.00 0.04 0.00 0.00 177.00 176.93 2a3p n ALA 5 N -3.46 -2.16 -1.49 8.56 0.00 -1.26 -4.59 120.51 116.12 2a3p n ALA 5 Ca 0.07 -0.96 -0.30 0.00 0.00 0.00 0.00 53.44 52.26 2a3p n ALA 5 Cb 0.60 -2.07 0.11 0.00 0.00 0.00 0.00 19.45 18.09 2a3p n ALA 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a3p s ASP 6 N -2.49 4.07 0.00 0.00 1.01 -1.26 -4.41 116.67 113.59 2a3p s ASP 6 Ca 0.68 1.26 0.00 0.00 0.71 0.00 0.00 52.55 55.20 2a3p s ASP 6 Cb -0.25 -1.95 0.00 0.00 1.01 0.00 0.00 42.92 41.73 2a3p s ASP 6 CO 0.63 -2.23 0.00 0.61 0.21 0.00 0.00 175.17 174.39 2a3p n GLY 7 N -1.94 0.61 3.71 0.21 0.00 -1.24 -5.02 105.19 101.51 2a3p n GLY 7 Ca 0.07 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2a3p n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a3p s LEU 8 N 0.00 4.37 -0.21 0.99 0.20 -1.11 -4.84 118.68 118.08 2a3p s LEU 8 Ca 0.00 2.18 -0.17 0.00 0.69 0.00 0.00 54.13 56.83 2a3p s LEU 8 Cb 0.00 -3.58 -0.03 0.00 -0.43 0.00 0.00 46.19 42.14 2a3p s LEU 8 CO 0.00 -0.58 0.47 -0.54 -0.29 0.00 0.00 176.35 175.41 2a3p s LYS 9 N 1.15 4.17 -0.51 1.98 3.01 -1.26 0.10 119.74 128.37 2a3p s LYS 9 Ca 0.62 0.32 -0.19 0.00 -1.01 0.00 0.00 55.97 55.70 2a3p s LYS 9 Cb -0.33 -3.56 0.06 0.00 -1.01 0.00 0.00 37.83 32.98 2a3p s LYS 9 CO 0.30 -0.13 0.65 -1.64 0.51 0.00 0.00 175.35 175.04 2a3p s MET 10 N 1.59 3.14 -0.34 1.68 -1.94 0.11 -4.96 119.30 118.57 2a3p s MET 10 Ca 0.22 -0.86 0.15 0.00 -1.71 0.00 0.00 55.69 53.49 2a3p s MET 10 Cb -0.15 -4.10 0.45 0.00 2.01 0.00 0.00 34.83 33.04 2a3p s MET 10 CO 0.09 -1.25 0.99 -0.85 -0.01 0.00 0.00 175.02 173.98 2a3p n GLU 11 N 6.27 1.64 0.00 2.03 -0.00 -1.26 -1.86 120.64 127.46 2a3p n GLU 11 Ca -0.06 -3.52 0.13 0.00 -0.00 0.00 0.00 57.16 53.71 2a3p n GLU 11 Cb 0.45 -1.46 0.51 0.00 -0.00 0.00 0.00 31.44 30.94 2a3p n GLU 11 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2a3p n ASN 12 N -0.16 0.26 -4.37 -1.84 3.02 -1.26 -4.94 115.26 105.97 2a3p n ASN 12 Ca 0.15 0.02 -0.21 0.00 -0.03 0.00 0.00 54.58 54.51 2a3p n ASN 12 Cb 0.79 -0.17 -0.10 0.00 -0.61 0.00 0.00 39.78 39.69 2a3p n ASN 12 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2a3p s THR 13 N -2.87 0.94 -2.00 3.41 -4.23 -1.26 -5.02 115.64 104.61 2a3p s THR 13 Ca 0.17 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.78 2a3p s THR 13 Cb 0.19 -2.70 0.29 0.00 1.34 0.00 0.00 72.50 71.62 2a3p s THR 13 CO 0.57 0.00 1.12 0.29 -0.54 0.00 0.00 174.62 176.06 2a3p n LYS 14 N -0.65 0.65 -3.16 3.99 4.01 -1.26 -3.92 118.16 117.82 2a3p n LYS 14 Ca -0.02 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.55 2a3p n LYS 14 Cb 0.66 -1.24 -0.05 0.00 -0.51 0.00 0.00 35.03 33.89 2a3p n LYS 14 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2a3p n MET 15 N -0.74 1.81 -1.22 1.97 2.81 -1.26 -5.13 117.12 115.37 2a3p n MET 15 Ca 0.08 -3.98 -0.31 0.00 -1.81 0.00 0.00 57.70 51.67 2a3p n MET 15 Cb 0.03 -1.84 0.10 0.00 -0.71 0.00 0.00 33.22 30.80 2a3p n MET 15 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2a3p s PRO 16 N -2.45 2.14 0.03 0.03 0.04 -1.25 -5.01 135.00 128.53 2a3p s PRO 16 Ca 0.41 1.23 0.03 0.00 0.04 0.00 0.00 61.00 62.71 2a3p s PRO 16 Cb 0.26 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.90 2a3p s PRO 16 CO -0.09 -1.74 -0.09 0.08 0.04 0.00 0.00 177.00 175.20 2a3p s VAL 17 N -2.85 0.69 -0.29 -0.36 1.01 -0.78 -4.87 120.40 112.97 2a3p s VAL 17 Ca 0.62 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 2a3p s VAL 17 Cb -0.18 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 2a3p s VAL 17 CO 0.56 -0.13 0.43 -0.63 0.00 0.00 0.00 175.10 175.32 2a3p s ILE 18 N -0.89 5.12 -0.25 2.22 1.01 -1.26 -0.71 121.20 126.44 2a3p s ILE 18 Ca -0.03 0.54 -0.08 0.00 0.00 0.00 0.00 60.65 61.08 2a3p s ILE 18 Cb -0.07 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 2a3p s ILE 18 CO 0.01 0.05 0.10 0.12 0.00 0.00 0.00 174.94 175.22 2a3p s PHE 19 N 2.17 3.15 -0.28 3.97 5.36 0.11 -4.92 117.98 127.54 2a3p s PHE 19 Ca 0.17 -0.20 -0.06 0.00 -0.96 0.00 0.00 56.93 55.88 2a3p s PHE 19 Cb -0.16 -2.25 0.01 0.00 -0.34 0.00 0.00 43.02 40.28 2a3p s PHE 19 CO 0.11 -0.22 0.04 -0.80 -1.46 0.00 0.00 175.22 172.88 2a3p s ASN 20 N 1.45 4.91 0.53 6.13 0.01 -1.26 -2.74 114.94 123.98 2a3p s ASN 20 Ca 0.06 -0.68 0.21 0.00 -0.71 0.00 0.00 52.86 51.74 2a3p s ASN 20 Cb -0.15 -1.83 1.43 0.00 0.41 0.00 0.00 41.25 41.11 2a3p s ASN 20 CO 0.05 -0.16 2.16 0.45 -1.51 0.00 0.00 177.10 178.09 2a3p h HIS 21 N 8.18 0.00 -0.10 2.20 3.86 -1.81 -2.64 115.15 124.83 2a3p h HIS 21 Ca -0.33 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.84 2a3p h HIS 21 Cb 1.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 2a3p h HIS 21 CO 0.61 0.04 -0.12 0.66 0.86 0.00 0.00 177.93 179.97 2a3p h SER 22 N 0.00 0.15 0.16 2.45 4.64 -1.93 -0.79 113.55 118.23 2a3p h SER 22 Ca -0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2a3p h SER 22 Cb 0.07 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2a3p h SER 22 CO 0.00 0.29 0.00 -1.20 -0.87 0.00 0.00 176.83 175.06 2a3p n SER 23 N -4.31 0.00 -0.09 4.97 7.64 -0.99 -3.77 113.62 117.06 2a3p n SER 23 Ca -0.01 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.35 2a3p n SER 23 Cb 0.24 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2a3p n SER 23 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2a3p n HIS 24 N -1.10 0.00 1.23 1.43 8.25 -0.38 -4.86 115.22 119.79 2a3p n HIS 24 Ca 0.16 -0.08 0.13 0.00 -0.26 0.00 0.00 57.72 57.67 2a3p n HIS 24 Cb 0.12 -0.02 0.67 0.00 1.12 0.00 0.00 29.99 31.88 2a3p n HIS 24 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2a3p n SER 25 N -0.10 0.00 -0.09 0.41 3.41 -0.74 -1.71 113.62 114.80 2a3p n SER 25 Ca 0.00 -0.03 0.14 0.00 -0.26 0.00 0.00 58.87 58.72 2a3p n SER 25 Cb 0.51 -0.31 0.62 0.00 -0.26 0.00 0.00 64.21 64.78 2a3p n SER 25 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2a3p n SER 26 N -1.31 0.39 -4.90 4.04 7.64 -1.26 -4.86 113.62 113.36 2a3p n SER 26 Ca 0.12 -0.49 -0.34 0.00 1.01 0.00 0.00 58.87 59.18 2a3p n SER 26 Cb 0.22 -0.10 -0.05 0.00 -1.01 0.00 0.00 64.21 63.27 2a3p n SER 26 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2a3p s TYR 27 N -2.51 3.56 0.39 1.43 1.51 -0.70 -5.08 117.35 115.96 2a3p s TYR 27 Ca 0.28 0.45 -0.27 0.00 -1.01 0.00 0.00 57.07 56.52 2a3p s TYR 27 Cb 0.20 -1.90 -0.09 0.00 -0.11 0.00 0.00 41.96 40.06 2a3p s TYR 27 CO 0.48 0.63 1.33 -0.65 -1.11 0.00 0.00 175.55 176.23 2a3p s GLN 28 N -1.86 4.05 0.23 -0.62 -1.52 -1.26 -4.92 119.66 113.76 2a3p s GLN 28 Ca 0.27 2.23 -0.13 0.00 -1.95 0.00 0.00 55.36 55.79 2a3p s GLN 28 Cb -0.13 -2.84 0.30 0.00 -0.22 0.00 0.00 33.01 30.12 2a3p s GLN 28 CO 0.17 -0.45 1.60 0.00 -0.25 0.00 0.00 175.29 176.36 2a3p n ALA 30 N -3.26 1.55 0.27 0.00 0.00 -1.26 -1.12 120.51 116.70 2a3p n ALA 30 Ca 0.10 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.63 2a3p n ALA 30 Cb 0.39 -1.23 0.73 0.00 0.00 0.00 0.00 19.45 19.33 2a3p n ALA 30 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2a3p h ASP 31 N 0.00 0.00 0.00 0.00 3.45 -1.59 -3.00 116.42 115.28 2a3p h ASP 31 Ca 0.00 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 2a3p h ASP 31 Cb 0.23 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.99 2a3p h ASP 31 CO 0.00 0.01 -1.14 0.00 -1.57 0.00 0.00 179.24 176.54 2a3p n HIS 33 N -2.84 2.74 -1.75 0.00 8.25 -0.27 -4.98 115.22 116.37 2a3p n HIS 33 Ca -0.05 -2.94 -0.40 0.00 -0.26 0.00 0.00 57.72 54.07 2a3p n HIS 33 Cb 0.54 -2.21 0.01 0.00 1.12 0.00 0.00 29.99 29.46 2a3p n HIS 33 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2a3p n HIS 34 N 3.46 2.63 -2.04 4.41 1.44 -1.13 -4.24 115.22 119.74 2a3p n HIS 34 Ca 0.63 0.46 -0.36 0.00 -2.01 0.00 0.00 57.72 56.44 2a3p n HIS 34 Cb 0.28 -2.45 0.03 0.00 0.12 0.00 0.00 29.99 27.97 2a3p n HIS 34 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2a3p s PRO 35 N -2.33 3.03 -0.05 -1.40 0.04 -1.26 -4.45 135.00 128.58 2a3p s PRO 35 Ca 0.60 1.76 0.02 0.00 0.04 0.00 0.00 61.00 63.41 2a3p s PRO 35 Cb -0.47 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.14 2a3p s PRO 35 CO 0.59 -1.14 -0.08 0.08 0.04 0.00 0.00 177.00 176.49 2a3p s VAL 36 N -1.67 0.79 -1.52 -0.36 1.01 -0.80 -4.75 120.40 113.09 2a3p s VAL 36 Ca 0.76 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 2a3p s VAL 36 Cb -0.28 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.34 2a3p s VAL 36 CO 0.32 0.28 0.12 0.47 0.00 0.00 0.00 175.10 176.29 2a3p n ASP 37 N 3.90 -5.26 -0.05 3.32 8.00 -1.26 -1.90 116.55 123.29 2a3p n ASP 37 Ca -0.24 -0.02 -0.01 0.00 0.71 0.00 0.00 54.79 55.23 2a3p n ASP 37 Cb 0.51 -4.38 -0.00 0.00 -0.02 0.00 0.00 41.12 37.23 2a3p n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a3p n GLY 38 N -1.05 0.48 3.35 0.44 0.00 -1.26 -5.02 105.19 102.13 2a3p n GLY 38 Ca -0.19 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 2a3p n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a3p s LYS 39 N -0.83 1.31 0.31 1.61 1.02 -0.80 -5.10 119.74 117.27 2a3p s LYS 39 Ca 0.00 -1.34 -0.30 0.00 0.02 0.00 0.00 55.97 54.35 2a3p s LYS 39 Cb 0.00 -1.61 -0.11 0.00 -0.52 0.00 0.00 37.83 35.58 2a3p s LYS 39 CO 0.00 0.36 1.56 -1.21 -0.92 0.00 0.00 175.35 175.14 2a3p s GLU 40 N -2.30 4.13 -0.34 1.68 0.41 -1.26 -1.91 118.70 119.12 2a3p s GLU 40 Ca 0.13 2.56 0.01 0.00 -0.41 0.00 0.00 54.97 57.26 2a3p s GLU 40 Cb -0.09 -3.02 0.10 0.00 -1.78 0.00 0.00 34.13 29.35 2a3p s GLU 40 CO 0.06 -0.60 0.10 1.21 -0.49 0.00 0.00 175.26 175.55 2a3p s ASN 41 N 0.34 4.23 -0.05 -0.19 2.47 -1.26 -4.83 114.94 115.65 2a3p s ASN 41 Ca 0.61 -1.92 0.14 0.00 0.42 0.00 0.00 52.86 52.10 2a3p s ASN 41 Cb -0.47 -1.13 0.42 0.00 -1.45 0.00 0.00 41.25 38.62 2a3p s ASN 41 CO 0.51 -0.39 1.35 0.18 -3.72 0.00 0.00 177.10 175.03 2a3p n LEU 42 N 4.50 3.39 -4.76 3.21 4.77 -1.26 -4.52 117.00 122.34 2a3p n LEU 42 Ca 0.01 -2.27 -0.34 0.00 -0.03 0.00 0.00 56.01 53.38 2a3p n LEU 42 Cb 0.41 -0.35 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 2a3p n LEU 42 CO 0.16 0.74 0.77 0.00 -1.33 0.00 0.00 177.39 177.73 2a3p s ALA 43 N -1.50 2.43 0.27 -1.18 0.00 -1.26 -4.96 121.76 115.56 2a3p s ALA 43 Ca 0.32 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 2a3p s ALA 43 Cb 0.20 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.84 2a3p s ALA 43 CO 0.16 -1.33 1.48 0.15 0.00 0.00 0.00 175.76 176.22 2a3p s LYS 44 N -3.86 4.23 0.27 0.00 -0.14 -1.26 -4.89 119.74 114.08 2a3p s LYS 44 Ca 0.70 2.38 -0.01 0.00 -1.36 0.00 0.00 55.97 57.69 2a3p s LYS 44 Cb -0.24 -3.08 0.60 0.00 -1.68 0.00 0.00 37.83 33.43 2a3p s LYS 44 CO 0.39 -0.47 1.68 0.00 -0.76 0.00 0.00 175.35 176.19 2a3p n ALA 46 N -2.65 3.32 -1.68 0.00 0.00 -1.26 -1.47 120.51 116.77 2a3p n ALA 46 Ca 0.18 -0.97 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 2a3p n ALA 46 Cb 0.57 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2a3p n ALA 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2a3p n THR 47 N 0.15 2.22 -1.65 0.00 -1.04 -0.41 -4.52 114.28 109.04 2a3p n THR 47 Ca 0.16 -0.50 -0.49 0.00 -2.04 0.00 0.00 64.05 61.18 2a3p n THR 47 Cb 0.76 -1.50 -0.05 0.00 -1.82 0.00 0.00 70.33 67.73 2a3p n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a3p n ALA 48 N 0.08 0.45 -0.42 2.41 0.00 -1.26 -0.54 120.51 121.22 2a3p n ALA 48 Ca 0.06 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2a3p n ALA 48 Cb 0.37 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.54 2a3p n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a3p n GLY 49 N 3.36 0.82 0.00 0.00 0.00 -1.26 -4.98 105.19 103.12 2a3p n GLY 49 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2a3p n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a3p n HIS 51 N 0.00 2.57 0.74 0.00 8.25 -0.54 -4.36 115.22 121.88 2a3p n HIS 51 Ca 0.00 -2.66 0.09 0.00 -0.26 0.00 0.00 57.72 54.88 2a3p n HIS 51 Cb 0.00 -1.18 0.06 0.00 1.12 0.00 0.00 29.99 30.00 2a3p n HIS 51 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2a3p n ASP 52 N 0.63 2.37 -4.66 0.41 3.85 -0.79 -3.83 116.55 114.53 2a3p n ASP 52 Ca 0.36 -1.69 -0.40 0.00 -0.71 0.00 0.00 54.79 52.35 2a3p n ASP 52 Cb 0.30 0.06 -0.06 0.00 -1.35 0.00 0.00 41.12 40.07 2a3p n ASP 52 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2a3p s VAL 53 N -1.54 5.04 -1.53 2.12 1.01 -0.68 -4.93 120.40 119.89 2a3p s VAL 53 Ca 0.20 1.15 0.18 0.00 0.00 0.00 0.00 61.98 63.51 2a3p s VAL 53 Cb 0.15 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2a3p s VAL 53 CO 0.25 0.13 0.89 0.49 0.00 0.00 0.00 175.10 176.86 2a3p n PHE 54 N 4.95 0.00 -1.68 5.22 3.72 -1.26 -1.05 117.46 127.36 2a3p n PHE 54 Ca -0.02 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.93 2a3p n PHE 54 Cb 0.50 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.00 2a3p n PHE 54 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2a3p n ASP 55 N -0.23 3.71 0.24 4.37 -0.08 -1.26 -4.86 116.55 118.45 2a3p n ASP 55 Ca 0.07 0.97 0.14 0.00 -1.51 0.00 0.00 54.79 54.46 2a3p n ASP 55 Cb 0.36 -1.45 0.38 0.00 2.34 0.00 0.00 41.12 42.75 2a3p n ASP 55 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2a3p h LYS 56 N 9.01 0.00 0.00 -0.67 1.57 -2.01 -2.98 116.57 121.49 2a3p h LYS 56 Ca -0.48 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 2a3p h LYS 56 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 2a3p h LYS 56 CO 0.94 0.00 -0.20 0.87 -0.57 0.00 0.00 179.45 180.49 2a3p h LYS 57 N 0.00 0.00 -6.65 3.15 1.57 -2.00 -3.46 116.57 109.18 2a3p h LYS 57 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 2a3p h LYS 57 Cb 0.80 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.17 2a3p h LYS 57 CO 0.00 0.14 1.02 0.34 -0.57 0.00 0.00 179.45 180.38 2a3p s ASP 58 N -6.24 6.38 0.00 0.86 -1.08 -1.13 -4.90 116.67 110.56 2a3p s ASP 58 Ca 0.06 2.86 0.08 0.00 -0.52 0.00 0.00 52.55 55.03 2a3p s ASP 58 Cb 0.06 -2.60 0.12 0.00 -1.46 0.00 0.00 42.92 39.05 2a3p s ASP 58 CO 0.70 -0.98 0.92 0.29 0.52 0.00 0.00 175.17 176.63 2a3p n LYS 59 N 4.09 1.23 -1.25 4.34 4.01 -1.26 -4.68 118.16 124.64 2a3p n LYS 59 Ca 0.16 -1.34 -0.29 0.00 -0.51 0.00 0.00 58.31 56.32 2a3p n LYS 59 Cb 0.35 -1.17 0.14 0.00 -0.51 0.00 0.00 35.03 33.85 2a3p n LYS 59 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2a3p s SER 60 N -0.80 3.41 0.65 4.39 1.04 -1.26 -4.91 113.70 116.22 2a3p s SER 60 Ca 0.12 1.38 0.44 0.00 0.48 0.00 0.00 55.95 58.36 2a3p s SER 60 Cb 0.07 -2.05 2.37 0.00 0.10 0.00 0.00 66.02 66.51 2a3p s SER 60 CO 0.10 -2.67 2.34 1.62 0.98 0.00 0.00 173.24 175.62 2a3p h VAL 61 N -1.57 0.00 -0.00 5.02 3.04 -1.96 -1.63 116.25 119.16 2a3p h VAL 61 Ca -0.50 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 2a3p h VAL 61 Cb 1.29 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.55 2a3p h VAL 61 CO 0.56 0.00 -0.21 1.41 -1.01 0.00 0.00 177.57 178.32 2a3p n HIS 62 N -3.04 0.00 -1.85 3.17 8.25 -1.26 -4.76 115.22 115.73 2a3p n HIS 62 Ca -0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 2a3p n HIS 62 Cb 0.07 -0.35 -0.03 0.00 1.12 0.00 0.00 29.99 30.81 2a3p n HIS 62 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2a3p s SER 63 N -2.91 6.18 0.17 0.41 0.15 -0.61 -1.68 113.70 115.41 2a3p s SER 63 Ca 0.15 2.03 -0.14 0.00 0.70 0.00 0.00 55.95 58.69 2a3p s SER 63 Cb 0.19 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 62.03 2a3p s SER 63 CO 0.59 -1.36 1.83 0.22 1.20 0.00 0.00 173.24 175.71 2a3p h TYR 64 N 11.74 0.66 -0.42 3.44 3.20 -1.19 -2.98 116.97 131.42 2a3p h TYR 64 Ca -0.40 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.52 2a3p h TYR 64 Cb 1.20 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 2a3p h TYR 64 CO 0.93 0.42 0.16 -0.92 -1.64 0.00 0.00 178.16 177.11 2a3p h TYR 65 N 0.70 0.28 0.03 -3.82 5.03 -1.86 -3.16 116.97 114.17 2a3p h TYR 65 Ca 0.19 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.54 2a3p h TYR 65 Cb -0.07 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.12 2a3p h TYR 65 CO -0.04 0.12 -0.18 -0.22 -1.32 0.00 0.00 178.16 176.52 2a3p h LYS 66 N 0.33 -0.29 0.00 1.82 3.64 -1.82 0.21 116.57 120.46 2a3p h LYS 66 Ca 0.19 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2a3p h LYS 66 Cb 0.16 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2a3p h LYS 66 CO -0.18 -0.19 0.00 0.44 -2.27 0.00 0.00 179.45 177.24 2a3p n ILE 67 N -5.31 1.06 -0.13 2.00 -5.35 -1.13 -1.07 119.36 109.43 2a3p n ILE 67 Ca -0.05 0.37 -0.23 0.00 -0.27 0.00 0.00 62.75 62.56 2a3p n ILE 67 Cb 0.22 -1.27 -0.10 0.00 -1.74 0.00 0.00 39.64 36.75 2a3p n ILE 67 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2a3p n ILE 68 N -1.97 1.40 0.70 7.28 5.41 -1.10 -3.76 119.36 127.33 2a3p n ILE 68 Ca 0.02 -0.43 0.08 0.00 1.00 0.00 0.00 62.75 63.41 2a3p n ILE 68 Cb 0.15 -1.66 -0.02 0.00 -0.71 0.00 0.00 39.64 37.40 2a3p n ILE 68 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 2a3p n HIS 69 N -3.78 0.00 -1.85 1.39 8.25 0.73 -1.42 115.22 118.54 2a3p n HIS 69 Ca -0.48 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.56 2a3p n HIS 69 Cb 0.90 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.98 2a3p n HIS 69 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2a3p s ASP 70 N -2.01 6.49 0.36 0.41 -1.08 -0.23 -4.83 116.67 115.78 2a3p s ASP 70 Ca 0.11 2.75 0.19 0.00 -0.52 0.00 0.00 52.55 55.09 2a3p s ASP 70 Cb 0.12 -2.60 0.20 0.00 -1.46 0.00 0.00 42.92 39.18 2a3p s ASP 70 CO 0.45 -0.88 1.51 0.03 0.52 0.00 0.00 175.17 176.81 2a3p h ARG 71 N 6.40 0.00 -6.49 4.34 3.08 -1.92 -3.11 114.38 116.68 2a3p h ARG 71 Ca -0.44 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 58.92 2a3p h ARG 71 Cb 1.21 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.01 2a3p h ARG 71 CO 0.90 0.22 -0.82 0.15 -1.07 0.00 0.00 179.97 179.36 2a3p s LYS 72 N -3.10 2.24 0.11 0.04 3.01 -1.26 -4.32 119.74 116.46 2a3p s LYS 72 Ca 0.05 -0.86 -0.12 0.00 -1.01 0.00 0.00 55.97 54.04 2a3p s LYS 72 Cb 0.06 -2.21 0.01 0.00 -1.01 0.00 0.00 37.83 34.68 2a3p s LYS 72 CO 0.71 0.58 0.29 0.00 0.51 0.00 0.00 175.35 177.43 2a3p s ALA 73 N -0.75 -0.52 0.14 5.17 0.00 -1.26 -4.92 121.76 119.61 2a3p s ALA 73 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2a3p s ALA 73 Cb -0.10 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.61 2a3p s ALA 73 CO 0.01 -0.58 0.00 2.41 0.00 0.00 0.00 175.76 177.61 2a3p n THR 74 N -0.14 0.86 -0.06 0.00 -1.04 -1.26 -4.96 114.28 107.68 2a3p n THR 74 Ca -0.15 0.29 -0.22 0.00 -2.04 0.00 0.00 64.05 61.92 2a3p n THR 74 Cb 0.63 -1.32 -0.12 0.00 -1.82 0.00 0.00 70.33 67.70 2a3p n THR 74 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2a3p n THR 75 N -3.45 1.64 -4.97 12.58 -2.24 -1.26 -4.86 114.28 111.71 2a3p n THR 75 Ca 0.00 -0.37 -0.28 0.00 -2.27 0.00 0.00 64.05 61.13 2a3p n THR 75 Cb 0.03 -1.85 -0.17 0.00 -2.10 0.00 0.00 70.33 66.24 2a3p n THR 75 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2a3p s VAL 76 N -2.47 1.66 0.47 2.28 1.01 -1.26 -5.11 120.40 116.97 2a3p s VAL 76 Ca -0.27 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 60.65 2a3p s VAL 76 Cb 0.07 -1.44 -0.07 0.00 0.00 0.00 0.00 36.38 34.94 2a3p s VAL 76 CO 0.66 0.47 1.33 0.00 0.00 0.00 0.00 175.10 177.56 2a3p s ALA 77 N 0.25 3.08 0.44 5.51 0.00 -1.26 -4.82 121.76 124.96 2a3p s ALA 77 Ca -0.11 1.27 -0.01 0.00 0.00 0.00 0.00 51.96 53.11 2a3p s ALA 77 Cb -0.15 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 2a3p s ALA 77 CO 0.05 -1.04 0.68 0.95 0.00 0.00 0.00 175.76 176.39 2a3p s THR 78 N -1.30 4.47 0.20 0.00 -4.23 -1.26 -4.94 115.64 108.58 2a3p s THR 78 Ca 0.63 -0.31 -0.11 0.00 -1.18 0.00 0.00 61.69 60.72 2a3p s THR 78 Cb -0.39 -3.67 0.17 0.00 1.34 0.00 0.00 72.50 69.96 2a3p s THR 78 CO 0.48 -0.51 1.68 0.00 -0.54 0.00 0.00 174.62 175.73 2a3p h MET 80 N 0.15 -0.04 -0.61 0.00 1.85 -1.46 -2.55 114.93 112.27 2a3p h MET 80 Ca 0.30 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.36 2a3p h MET 80 Cb 0.47 0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.48 2a3p h MET 80 CO -0.46 0.36 0.25 0.66 -0.40 0.00 0.00 176.91 177.32 2a3p h SER 81 N -0.46 0.81 -0.27 1.39 4.64 -1.47 0.16 113.55 118.35 2a3p h SER 81 Ca -0.00 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.07 2a3p h SER 81 Cb 0.42 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2a3p h SER 81 CO 0.01 0.72 -0.40 0.00 -0.87 0.00 0.00 176.83 176.29 2a3p h HIS 83 N 0.49 0.64 -0.45 0.00 3.86 -0.96 -1.24 115.15 117.50 2a3p h HIS 83 Ca 0.03 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.07 2a3p h HIS 83 Cb 0.99 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.28 2a3p h HIS 83 CO 0.08 0.75 0.12 -0.07 0.86 0.00 0.00 177.93 179.67 2a3p h LEU 84 N 0.51 0.61 -0.33 2.43 3.38 -0.76 0.17 115.31 121.32 2a3p h LEU 84 Ca 0.08 -0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 2a3p h LEU 84 Cb 0.65 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2a3p h LEU 84 CO 0.05 0.59 -0.57 -0.08 0.09 0.00 0.00 178.44 178.52 2a3p h GLU 85 N 0.65 0.80 -0.18 1.13 4.81 -1.27 -0.66 114.58 119.86 2a3p h GLU 85 Ca 0.15 -0.52 -0.19 0.00 -0.13 0.00 0.00 59.36 58.67 2a3p h GLU 85 Cb 0.22 0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.67 2a3p h GLU 85 CO -0.01 1.15 -0.62 0.00 -0.73 0.00 0.00 179.01 178.80 2a3p h ALA 86 N 0.74 0.32 -0.23 2.92 0.00 -0.97 -3.21 119.26 118.83 2a3p h ALA 86 Ca 0.01 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 2a3p h ALA 86 Cb 1.17 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2a3p h ALA 86 CO 0.12 0.59 -0.32 0.00 0.00 0.00 0.00 179.25 179.64 2a3p h ALA 87 N 0.57 0.35 -0.98 0.00 0.00 -0.74 -3.48 119.26 114.99 2a3p h ALA 87 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2a3p h ALA 87 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2a3p h ALA 87 CO 0.13 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.18 2a3p n GLY 88 N 0.28 3.53 0.38 0.00 0.00 -0.25 -1.82 105.19 107.31 2a3p n GLY 88 Ca -0.05 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 45.98 2a3p n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2a3p n SER 89 N 4.45 1.25 -4.70 1.61 2.88 -1.26 -4.85 113.62 113.00 2a3p n SER 89 Ca 0.00 -1.29 -0.42 0.00 -1.33 0.00 0.00 58.87 55.83 2a3p n SER 89 Cb 0.00 0.02 -0.03 0.00 -0.75 0.00 0.00 64.21 63.46 2a3p n SER 89 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2a3p s ASP 90 N -2.13 7.01 0.07 -3.46 2.15 -0.76 -4.97 116.67 114.58 2a3p s ASP 90 Ca 0.35 2.01 -0.30 0.00 0.43 0.00 0.00 52.55 55.04 2a3p s ASP 90 Cb 0.21 -2.57 -0.18 0.00 -0.30 0.00 0.00 42.92 40.08 2a3p s ASP 90 CO 0.38 -0.56 1.63 0.50 -0.17 0.00 0.00 175.17 176.95 2a3p h LYS 91 N 7.14 -0.62 -0.21 4.34 1.63 -1.91 -1.88 116.57 125.07 2a3p h LYS 91 Ca -0.39 0.04 -0.16 0.00 -0.85 0.00 0.00 60.65 59.30 2a3p h LYS 91 Cb 1.19 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.96 2a3p h LYS 91 CO 0.85 -0.40 -0.51 -0.44 -3.45 0.00 0.00 179.45 175.50 2a3p h ASP 92 N -0.67 0.64 -0.56 4.20 3.32 -1.96 -2.87 116.42 118.53 2a3p h ASP 92 Ca -0.07 -0.33 -0.11 0.00 0.02 0.00 0.00 57.03 56.55 2a3p h ASP 92 Cb 0.51 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2a3p h ASP 92 CO 0.11 1.04 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.52 2a3p h LEU 93 N 0.46 1.03 -0.94 1.55 3.38 -1.88 0.27 115.31 119.18 2a3p h LEU 93 Ca 0.02 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.73 2a3p h LEU 93 Cb 1.05 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 2a3p h LEU 93 CO 0.10 1.12 0.60 0.11 0.09 0.00 0.00 178.44 180.46 2a3p h LYS 94 N 0.93 1.06 0.04 1.13 1.57 -1.30 0.63 116.57 120.64 2a3p h LYS 94 Ca 0.15 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2a3p h LYS 94 Cb 0.63 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2a3p h LYS 94 CO 0.04 0.70 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.39 2a3p h LYS 95 N 1.10 -0.06 -0.01 3.15 3.11 -1.21 0.41 116.57 123.06 2a3p h LYS 95 Ca 0.41 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 58.03 2a3p h LYS 95 Cb 0.16 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 2a3p h LYS 95 CO -0.17 0.20 -0.93 0.93 -2.81 0.00 0.00 179.45 176.67 2a3p h GLU 96 N -0.31 0.43 0.00 1.90 5.08 -0.65 -3.25 114.58 117.77 2a3p h GLU 96 Ca -0.01 -0.45 -0.31 0.00 -1.00 0.00 0.00 59.36 57.60 2a3p h GLU 96 Cb 0.28 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 2a3p h GLU 96 CO 0.01 1.11 -2.25 1.28 -1.00 0.00 0.00 179.01 178.16 2a3p n LEU 97 N -3.76 0.00 -0.00 1.33 4.77 0.22 -1.07 117.00 118.49 2a3p n LEU 97 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2a3p n LEU 97 Cb 0.83 0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 42.33 2a3p n LEU 97 CO 0.51 0.42 -0.28 0.35 -1.33 0.00 0.00 177.39 177.06 2a3p n THR 98 N -2.65 0.00 -1.06 -5.08 -2.24 -0.08 -4.85 114.28 98.31 2a3p n THR 98 Ca -0.28 -0.22 -0.33 0.00 -2.27 0.00 0.00 64.05 60.94 2a3p n THR 98 Cb 1.06 0.72 0.13 0.00 -2.10 0.00 0.00 70.33 70.13 2a3p n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a3p n GLY 99 N 1.83 -0.19 0.12 3.38 0.00 -0.06 -4.95 105.19 105.32 2a3p n GLY 99 Ca -0.00 -0.51 0.07 0.00 0.00 0.00 0.00 46.02 45.57 2a3p n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a3p s LYS 101 N -3.15 0.87 -0.40 0.00 2.47 -1.26 -4.69 119.74 113.59 2a3p s LYS 101 Ca -0.00 -0.57 0.00 0.00 -1.56 0.00 0.00 55.97 53.84 2a3p s LYS 101 Cb 0.09 0.38 0.00 0.00 -1.46 0.00 0.00 37.83 36.83 2a3p s LYS 101 CO 0.78 -0.29 0.00 1.63 0.16 0.00 0.00 175.35 177.63 2a3p n LYS 102 N 0.37 -1.59 -2.57 4.03 4.76 -0.24 -4.97 118.16 117.95 2a3p n LYS 102 Ca -0.18 0.57 -0.23 0.00 -2.87 0.00 0.00 58.31 55.61 2a3p n LYS 102 Cb 0.60 -4.84 0.08 0.00 -1.84 0.00 0.00 35.03 29.03 2a3p n LYS 102 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2a3p s SER 103 N -2.17 4.76 0.43 4.39 1.04 -0.80 -4.71 113.70 116.64 2a3p s SER 103 Ca 0.00 -0.15 0.24 0.00 0.48 0.00 0.00 55.95 56.52 2a3p s SER 103 Cb 0.00 -0.46 0.64 0.00 0.10 0.00 0.00 66.02 66.30 2a3p s SER 103 CO 0.00 -1.55 1.71 0.11 0.98 0.00 0.00 173.24 174.49 2a3p h LYS 104 N -0.29 0.00 0.04 4.02 1.57 -1.33 -1.98 116.57 118.60 2a3p h LYS 104 Ca -0.39 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2a3p h LYS 104 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2a3p h LYS 104 CO 0.47 0.17 -0.02 0.00 -0.57 0.00 0.00 179.45 179.50 2a3p s HIS 106 N -2.32 3.40 -2.00 0.00 3.76 -1.22 -4.56 115.29 112.34 2a3p s HIS 106 Ca -0.11 -2.99 0.13 0.00 -0.15 0.00 0.00 55.06 51.94 2a3p s HIS 106 Cb -0.01 -3.02 0.80 0.00 1.11 0.00 0.00 32.58 31.46 2a3p s HIS 106 CO 0.42 -0.76 1.22 -2.30 -0.85 0.00 0.00 174.74 172.47