#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pcs s ASN -1 N 0.00 5.94 0.13 0.00 0.01 -1.26 -4.70 114.94 115.06 1pcs s ASN -1 Ca 0.00 2.78 0.10 0.00 -0.71 0.00 0.00 52.86 55.03 1pcs s ASN -1 Cb 0.00 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 1pcs s ASN -1 CO 0.00 -1.12 -0.20 0.00 -1.51 0.00 0.00 177.10 174.27 1pcs s ALA 1 N -1.25 2.61 -0.09 0.60 0.00 -0.99 -5.04 121.76 117.60 1pcs s ALA 1 Ca 0.61 -1.41 0.04 0.00 0.00 0.00 0.00 51.96 51.20 1pcs s ALA 1 Cb -0.41 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1pcs s ALA 1 CO 0.52 0.56 -0.22 0.99 0.00 0.00 0.00 175.76 177.61 1pcs s THR 2 N -1.19 1.87 -0.11 0.00 2.01 -1.26 -0.96 115.64 116.01 1pcs s THR 2 Ca 0.18 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.29 1pcs s THR 2 Cb -0.10 -1.63 0.01 0.00 0.01 0.00 0.00 72.50 70.79 1pcs s THR 2 CO 0.09 0.52 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.65 1pcs s VAL 3 N 0.39 1.84 0.08 3.82 1.01 0.08 -4.58 120.40 123.03 1pcs s VAL 3 Ca -0.18 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 60.68 1pcs s VAL 3 Cb -0.17 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 1pcs s VAL 3 CO 0.08 0.51 0.79 -0.54 0.00 0.00 0.00 175.10 175.94 1pcs s LYS 4 N 0.62 4.54 -0.45 2.72 1.02 0.40 -1.01 119.74 127.58 1pcs s LYS 4 Ca -0.13 1.13 -0.16 0.00 0.02 0.00 0.00 55.97 56.83 1pcs s LYS 4 Cb -0.17 -3.35 0.05 0.00 -0.52 0.00 0.00 37.83 33.85 1pcs s LYS 4 CO 0.04 0.33 0.41 -1.64 -0.92 0.00 0.00 175.35 173.57 1pcs s MET 5 N -0.25 3.02 0.00 1.68 -1.94 -0.09 -1.25 119.30 120.47 1pcs s MET 5 Ca 0.39 -1.09 0.00 0.00 -1.71 0.00 0.00 55.69 53.28 1pcs s MET 5 Cb -0.21 -4.06 0.00 0.00 2.01 0.00 0.00 34.83 32.57 1pcs s MET 5 CO 0.24 -0.96 0.00 0.41 -0.01 0.00 0.00 175.02 174.71 1pcs n GLY 6 N 5.17 0.12 3.82 -0.03 0.00 0.16 -1.22 105.19 113.20 1pcs n GLY 6 Ca -0.10 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 1pcs n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pcs s SER 7 N 0.00 5.26 0.42 1.61 1.04 -0.69 -3.84 113.70 117.49 1pcs s SER 7 Ca 0.00 1.60 0.11 0.00 0.48 0.00 0.00 55.95 58.14 1pcs s SER 7 Cb 0.00 -2.45 0.89 0.00 0.10 0.00 0.00 66.02 64.56 1pcs s SER 7 CO 0.00 -1.52 1.98 0.44 0.98 0.00 0.00 173.24 175.12 1pcs h ASP 8 N -0.77 0.19 0.00 7.02 3.32 -1.97 -0.47 116.42 123.74 1pcs h ASP 8 Ca -0.44 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1pcs h ASP 8 Cb 1.22 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1pcs h ASP 8 CO 0.57 0.29 0.00 -1.54 -1.72 0.00 0.00 179.24 176.84 1pcs n SER 9 N -4.34 0.00 -1.49 6.45 3.41 -1.26 -4.89 113.62 111.50 1pcs n SER 9 Ca -0.01 -0.92 -0.06 0.00 -0.26 0.00 0.00 58.87 57.62 1pcs n SER 9 Cb 0.21 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.19 1pcs n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pcs n GLY 10 N 0.44 0.40 3.39 5.00 0.00 -0.18 -5.07 105.19 109.17 1pcs n GLY 10 Ca 0.14 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1pcs n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pcs s ALA 11 N -3.09 2.38 -1.28 4.61 0.00 -1.25 -4.93 121.76 118.18 1pcs s ALA 11 Ca 0.09 -1.37 -0.18 0.00 0.00 0.00 0.00 51.96 50.50 1pcs s ALA 11 Cb -0.04 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.63 1pcs s ALA 11 CO 0.20 0.54 1.96 1.28 0.00 0.00 0.00 175.76 179.74 1pcs n LEU 12 N 1.25 5.29 -3.98 0.00 4.77 -1.26 -1.70 117.00 121.37 1pcs n LEU 12 Ca -0.17 -3.79 -0.09 0.00 -0.03 0.00 0.00 56.01 51.93 1pcs n LEU 12 Cb 0.53 -1.64 -0.08 0.00 -2.33 0.00 0.00 43.42 39.89 1pcs n LEU 12 CO 0.24 0.19 -0.15 0.68 -1.33 0.00 0.00 177.39 177.01 1pcs s VAL 13 N 4.79 0.12 -0.19 4.08 -7.23 -1.26 -3.83 120.40 116.89 1pcs s VAL 13 Ca 0.54 -1.48 -0.15 0.00 -1.81 0.00 0.00 61.98 59.08 1pcs s VAL 13 Cb 0.08 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 1pcs s VAL 13 CO 0.03 -0.57 0.35 -0.36 -0.31 0.00 0.00 175.10 174.25 1pcs s PHE 14 N -3.94 3.41 -0.19 2.82 0.08 -1.26 -0.66 117.98 118.24 1pcs s PHE 14 Ca 0.13 0.60 0.00 0.00 0.12 0.00 0.00 56.93 57.78 1pcs s PHE 14 Cb 0.05 -2.45 0.04 0.00 -0.57 0.00 0.00 43.02 40.09 1pcs s PHE 14 CO -0.05 0.09 -0.08 -2.00 -0.10 0.00 0.00 175.22 173.07 1pcs s GLU 15 N 0.98 1.81 0.35 0.44 2.56 -0.38 -1.36 118.70 123.10 1pcs s GLU 15 Ca 0.18 -0.73 -0.25 0.00 0.00 0.00 0.00 54.97 54.16 1pcs s GLU 15 Cb -0.14 -2.28 -0.10 0.00 2.00 0.00 0.00 34.13 33.61 1pcs s GLU 15 CO 0.07 -0.43 0.98 -1.25 -0.56 0.00 0.00 175.26 174.07 1pcs s PRO 16 N 1.48 4.44 0.36 4.30 0.04 -1.26 -0.45 135.00 143.91 1pcs s PRO 16 Ca -0.01 1.39 0.07 0.00 0.04 0.00 0.00 61.00 62.49 1pcs s PRO 16 Cb -0.16 -2.70 0.69 0.00 0.04 0.00 0.00 34.50 32.36 1pcs s PRO 16 CO -0.08 0.13 1.90 0.66 0.04 0.00 0.00 177.00 179.65 1pcs h SER 17 N 2.93 0.38 -3.38 6.66 4.64 -1.56 -3.42 113.55 119.80 1pcs h SER 17 Ca -0.47 -0.07 -0.59 0.00 -0.47 0.00 0.00 61.79 60.19 1pcs h SER 17 Cb 1.20 -0.10 -0.33 0.00 -0.31 0.00 0.00 62.40 62.86 1pcs h SER 17 CO 0.64 0.48 -0.84 -0.89 -0.87 0.00 0.00 176.83 175.35 1pcs s THR 18 N -4.88 1.55 0.08 2.95 2.01 -1.26 -0.80 115.64 115.29 1pcs s THR 18 Ca -0.07 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.27 1pcs s THR 18 Cb 0.15 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 1pcs s THR 18 CO 0.75 0.45 -0.16 0.68 -0.69 0.00 0.00 174.62 175.64 1pcs s VAL 19 N 0.53 1.32 -0.12 3.82 -7.23 -0.91 -5.01 120.40 112.81 1pcs s VAL 19 Ca -0.16 -1.41 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1pcs s VAL 19 Cb -0.17 -1.25 0.02 0.00 0.56 0.00 0.00 36.38 35.53 1pcs s VAL 19 CO 0.06 -0.19 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.62 1pcs s THR 20 N -1.29 1.57 0.35 5.32 2.01 -1.26 -0.92 115.64 121.42 1pcs s THR 20 Ca 0.01 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.37 1pcs s THR 20 Cb -0.10 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 70.94 1pcs s THR 20 CO 0.03 0.45 0.09 0.27 -0.69 0.00 0.00 174.62 174.77 1pcs s ILE 21 N 1.03 0.88 0.03 1.82 -4.36 -0.08 -4.49 121.20 116.02 1pcs s ILE 21 Ca -0.05 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.29 1pcs s ILE 21 Cb -0.15 -2.59 -0.05 0.00 1.25 0.00 0.00 42.46 40.93 1pcs s ILE 21 CO -0.03 0.00 0.26 -0.54 0.24 0.00 0.00 174.94 174.87 1pcs s LYS 22 N -3.84 3.54 0.24 0.37 1.02 -1.26 -1.13 119.74 118.68 1pcs s LYS 22 Ca 0.31 -0.17 -0.31 0.00 0.02 0.00 0.00 55.97 55.82 1pcs s LYS 22 Cb 0.06 -3.05 -0.14 0.00 -0.52 0.00 0.00 37.83 34.18 1pcs s LYS 22 CO 0.15 0.63 1.31 0.00 -0.92 0.00 0.00 175.35 176.52 1pcs n ALA 23 N 0.87 0.65 0.00 5.17 0.00 0.40 -1.25 120.51 126.35 1pcs n ALA 23 Ca -0.09 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1pcs n ALA 23 Cb 0.52 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1pcs n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pcs n GLY 24 N 1.91 3.26 3.93 0.00 0.00 0.16 -4.94 105.19 109.51 1pcs n GLY 24 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1pcs n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pcs s GLU 25 N -0.74 2.00 0.28 1.61 2.02 -0.38 -4.70 118.70 118.79 1pcs s GLU 25 Ca 0.00 -0.23 0.08 0.00 0.02 0.00 0.00 54.97 54.85 1pcs s GLU 25 Cb 0.00 -2.10 -0.06 0.00 0.10 0.00 0.00 34.13 32.07 1pcs s GLU 25 CO 0.00 -1.42 -0.10 -1.83 0.02 0.00 0.00 175.26 171.93 1pcs s GLU 26 N -5.37 1.60 -0.06 1.61 -1.05 -1.26 -1.28 118.70 112.89 1pcs s GLU 26 Ca 0.62 -1.79 0.03 0.00 -0.15 0.00 0.00 54.97 53.69 1pcs s GLU 26 Cb -0.10 -1.37 0.00 0.00 -0.44 0.00 0.00 34.13 32.23 1pcs s GLU 26 CO 0.46 0.13 -0.16 0.08 0.95 0.00 0.00 175.26 176.72 1pcs s VAL 27 N -2.84 1.37 -0.16 1.83 1.01 -0.51 -2.34 120.40 118.75 1pcs s VAL 27 Ca 0.29 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1pcs s VAL 27 Cb 0.01 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1pcs s VAL 27 CO 0.13 0.40 -0.13 -0.75 0.00 0.00 0.00 175.10 174.75 1pcs s LYS 28 N 0.33 3.28 -0.21 2.72 2.20 -0.13 -2.17 119.74 125.75 1pcs s LYS 28 Ca -0.10 -0.71 -0.11 0.00 -0.36 0.00 0.00 55.97 54.69 1pcs s LYS 28 Cb -0.14 -2.71 -0.05 0.00 -1.51 0.00 0.00 37.83 33.43 1pcs s LYS 28 CO 0.04 0.01 0.18 -1.58 -0.36 0.00 0.00 175.35 173.63 1pcs s TRP 29 N 0.86 3.37 -0.14 4.03 0.51 -0.01 -0.74 118.94 126.82 1pcs s TRP 29 Ca -0.04 0.33 0.01 0.00 -2.12 0.00 0.00 56.10 54.29 1pcs s TRP 29 Cb -0.15 -2.25 0.00 0.00 -0.81 0.00 0.00 33.47 30.26 1pcs s TRP 29 CO -0.00 0.17 -0.18 0.08 -0.51 0.00 0.00 176.95 176.51 1pcs s VAL 30 N 0.72 2.48 -0.00 4.03 1.01 -0.18 -1.41 120.40 127.05 1pcs s VAL 30 Ca 0.09 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 1pcs s VAL 30 Cb -0.12 -2.02 -0.07 0.00 0.00 0.00 0.00 36.38 34.16 1pcs s VAL 30 CO 0.02 0.53 1.71 0.21 0.00 0.00 0.00 175.10 177.57 1pcs s ASN 31 N 0.72 6.61 0.00 3.32 2.47 0.63 -0.91 114.94 127.78 1pcs s ASN 31 Ca -0.08 2.38 0.00 0.00 0.42 0.00 0.00 52.86 55.59 1pcs s ASN 31 Cb -0.16 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 1pcs s ASN 31 CO 0.01 -0.94 0.00 -3.20 -3.72 0.00 0.00 177.10 169.25 1pcs n ASN 32 N 6.80 0.00 -4.17 -4.21 5.15 -0.36 -0.81 115.26 117.66 1pcs n ASN 32 Ca 0.17 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 54.05 1pcs n ASN 32 Cb 0.42 -0.17 -0.10 0.00 -0.53 0.00 0.00 39.78 39.40 1pcs n ASN 32 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1pcs s LYS 33 N -0.92 0.84 -1.24 1.20 1.02 -1.08 -4.74 119.74 114.82 1pcs s LYS 33 Ca 0.00 -1.35 -0.00 0.00 0.02 0.00 0.00 55.97 54.64 1pcs s LYS 33 Cb 0.00 -0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.15 1pcs s LYS 33 CO 0.00 -0.04 0.92 1.28 -0.92 0.00 0.00 175.35 176.59 1pcs n LEU 34 N -0.05 -3.75 -4.65 3.17 4.77 -1.26 -4.16 117.00 111.07 1pcs n LEU 34 Ca -0.12 -0.68 -0.30 0.00 -0.03 0.00 0.00 56.01 54.89 1pcs n LEU 34 Cb 0.61 -2.99 0.17 0.00 -2.33 0.00 0.00 43.42 38.88 1pcs n LEU 34 CO 0.30 0.39 0.64 -0.44 -1.33 0.00 0.00 177.39 176.95 1pcs s SER 35 N -4.33 2.69 0.46 -1.43 0.01 -1.26 -4.78 113.70 105.06 1pcs s SER 35 Ca 0.02 1.81 -0.00 0.00 1.31 0.00 0.00 55.95 59.08 1pcs s SER 35 Cb -0.01 -2.40 -0.00 0.00 0.21 0.00 0.00 66.02 63.82 1pcs s SER 35 CO 0.75 -3.18 0.69 -2.16 0.41 0.00 0.00 173.24 169.76 1pcs s PRO 36 N -4.69 3.08 0.05 12.44 0.04 -1.26 -5.09 135.00 139.56 1pcs s PRO 36 Ca 0.66 -0.42 -0.02 0.00 0.04 0.00 0.00 61.00 61.26 1pcs s PRO 36 Cb -0.22 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 1pcs s PRO 36 CO 0.59 -0.30 0.01 -1.01 0.04 0.00 0.00 177.00 176.33 1pcs s HIS 37 N -2.59 0.45 0.26 0.56 3.76 -1.05 -4.89 115.29 111.79 1pcs s HIS 37 Ca 0.49 -0.96 -0.12 0.00 -0.15 0.00 0.00 55.06 54.32 1pcs s HIS 37 Cb -0.10 -0.33 -0.00 0.00 1.11 0.00 0.00 32.58 33.26 1pcs s HIS 37 CO 0.39 -0.39 0.50 0.54 -0.85 0.00 0.00 174.74 174.92 1pcs s ASN 38 N -2.82 0.01 -0.17 1.40 4.22 -1.26 -1.15 114.94 115.16 1pcs s ASN 38 Ca 0.05 -0.99 0.01 0.00 -2.14 0.00 0.00 52.86 49.79 1pcs s ASN 38 Cb 0.06 0.61 0.03 0.00 1.28 0.00 0.00 41.25 43.24 1pcs s ASN 38 CO -0.10 -1.19 -0.14 -0.63 -2.04 0.00 0.00 177.10 173.01 1pcs s ILE 39 N -3.83 1.68 -0.15 0.54 1.09 -0.76 -4.05 121.20 115.72 1pcs s ILE 39 Ca 0.23 -0.83 -0.00 0.00 -1.10 0.00 0.00 60.65 58.95 1pcs s ILE 39 Cb -0.01 -1.63 0.03 0.00 -1.06 0.00 0.00 42.46 39.79 1pcs s ILE 39 CO 0.10 0.36 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.52 1pcs s VAL 40 N 1.42 1.31 0.05 2.92 1.01 -0.30 -0.49 120.40 126.32 1pcs s VAL 40 Ca 0.03 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 1pcs s VAL 40 Cb -0.14 -1.34 -0.06 0.00 0.00 0.00 0.00 36.38 34.84 1pcs s VAL 40 CO -0.10 0.31 0.71 -0.36 0.00 0.00 0.00 175.10 175.66 1pcs s PHE 41 N 1.57 3.75 0.48 5.22 0.40 -1.26 -0.86 117.98 127.28 1pcs s PHE 41 Ca 0.03 1.40 -0.12 0.00 -0.60 0.00 0.00 56.93 57.65 1pcs s PHE 41 Cb -0.14 -2.73 -0.06 0.00 0.51 0.00 0.00 43.02 40.60 1pcs s PHE 41 CO -0.09 0.35 0.88 0.16 0.70 0.00 0.00 175.22 177.21 1pcs s ASP 42 N -0.30 6.48 -0.14 1.36 1.47 -0.70 -4.76 116.67 120.08 1pcs s ASP 42 Ca 0.35 1.28 0.12 0.00 1.18 0.00 0.00 52.55 55.49 1pcs s ASP 42 Cb -0.20 -2.39 0.58 0.00 -0.34 0.00 0.00 42.92 40.57 1pcs s ASP 42 CO 0.21 -0.55 1.42 0.00 0.68 0.00 0.00 175.17 176.94 1pcs n ALA 43 N -1.70 3.28 -2.67 2.11 0.00 -1.26 -4.72 120.51 115.54 1pcs n ALA 43 Ca 0.04 -1.31 -0.40 0.00 0.00 0.00 0.00 53.44 51.77 1pcs n ALA 43 Cb 0.54 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 1pcs n ALA 43 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1pcs s ASP 44 N -0.67 6.71 0.00 0.00 -4.77 -1.26 -3.81 116.67 112.88 1pcs s ASP 44 Ca 0.40 0.86 0.00 0.00 -3.30 0.00 0.00 52.55 50.51 1pcs s ASP 44 Cb 0.28 -2.34 0.00 0.00 -1.09 0.00 0.00 42.92 39.77 1pcs s ASP 44 CO 0.15 -0.21 0.00 0.61 0.70 0.00 0.00 175.17 176.41 1pcs n GLY 45 N 3.66 1.81 3.18 2.12 0.00 -1.26 -4.87 105.19 109.82 1pcs n GLY 45 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1pcs n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pcs s VAL 46 N -2.33 0.73 0.29 1.61 -7.23 -1.25 -4.85 120.40 107.37 1pcs s VAL 46 Ca 0.00 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 57.92 1pcs s VAL 46 Cb 0.00 -1.70 -0.11 0.00 0.56 0.00 0.00 36.38 35.13 1pcs s VAL 46 CO 0.00 -0.86 1.61 -2.84 -0.31 0.00 0.00 175.10 172.70 1pcs s PRO 47 N -3.82 4.11 0.23 4.82 0.02 -1.26 -4.83 135.00 134.26 1pcs s PRO 47 Ca 0.12 2.59 -0.07 0.00 0.02 0.00 0.00 61.00 63.67 1pcs s PRO 47 Cb 0.05 -3.02 0.37 0.00 0.02 0.00 0.00 34.50 31.92 1pcs s PRO 47 CO -0.04 -0.65 1.74 0.00 -0.33 0.00 0.00 177.00 177.71 1pcs h ALA 48 N 5.02 0.93 -0.02 -1.55 0.00 -1.97 -2.07 119.26 119.60 1pcs h ALA 48 Ca -0.47 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1pcs h ALA 48 Cb 1.22 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1pcs h ALA 48 CO 0.81 -0.18 -0.47 -0.44 0.00 0.00 0.00 179.25 178.97 1pcs h ASP 50 N 0.45 0.05 -0.24 0.00 5.19 -1.98 -2.18 116.42 117.71 1pcs h ASP 50 Ca 0.36 -0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.70 1pcs h ASP 50 Cb 0.49 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 1pcs h ASP 50 CO -0.35 0.52 -0.06 0.74 -3.12 0.00 0.00 179.24 176.96 1pcs h THR 51 N 0.04 1.29 -0.87 0.35 2.02 -1.78 -1.21 112.91 112.74 1pcs h THR 51 Ca -0.00 -1.07 0.07 0.00 0.77 0.00 0.00 66.41 66.18 1pcs h THR 51 Cb 0.85 1.50 -0.07 0.00 -1.74 0.00 0.00 68.15 68.69 1pcs h THR 51 CO 0.06 0.33 0.53 0.00 0.37 0.00 0.00 175.52 176.82 1pcs h ALA 52 N 0.75 1.22 -0.42 6.16 0.00 -1.22 -1.14 119.26 124.63 1pcs h ALA 52 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1pcs h ALA 52 Cb 0.53 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1pcs h ALA 52 CO 0.02 0.24 0.05 0.00 0.00 0.00 0.00 179.25 179.57 1pcs h ALA 53 N 1.43 0.55 0.00 0.00 0.00 -1.18 -2.35 119.26 117.72 1pcs h ALA 53 Ca 0.39 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1pcs h ALA 53 Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1pcs h ALA 53 CO -0.20 0.29 -0.18 0.87 0.00 0.00 0.00 179.25 180.03 1pcs h LYS 54 N 0.55 0.00 0.00 0.00 1.57 -0.29 -2.52 116.57 115.87 1pcs h LYS 54 Ca 0.12 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1pcs h LYS 54 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1pcs h LYS 54 CO 0.01 0.18 -0.50 -0.07 -0.57 0.00 0.00 179.45 178.49 1pcs h LEU 55 N 0.00 0.00-10.21 2.94 3.38 -1.03 -3.47 115.31 106.92 1pcs h LEU 55 Ca -0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1pcs h LEU 55 Cb 0.37 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.20 1pcs h LEU 55 CO 0.02 0.21 0.37 -0.44 0.09 0.00 0.00 178.44 178.69 1pcs s SER 56 N -6.06 5.44 -0.38 -0.43 0.01 -0.90 -4.87 113.70 106.51 1pcs s SER 56 Ca 0.04 1.88 0.01 0.00 1.31 0.00 0.00 55.95 59.18 1pcs s SER 56 Cb 0.07 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 63.90 1pcs s SER 56 CO 0.73 -1.40 0.21 -1.00 0.41 0.00 0.00 173.24 172.19 1pcs s HIS 57 N -2.46 1.16 0.19 2.43 3.76 0.36 -5.02 115.29 115.72 1pcs s HIS 57 Ca 0.64 -1.87 0.23 0.00 -0.15 0.00 0.00 55.06 53.91 1pcs s HIS 57 Cb -0.18 -1.27 0.96 0.00 1.11 0.00 0.00 32.58 33.20 1pcs s HIS 57 CO 0.41 -0.82 1.85 0.87 -0.85 0.00 0.00 174.74 176.20 1pcs h LYS 58 N 7.00 0.00 -6.90 1.40 1.57 -1.96 -2.02 116.57 115.65 1pcs h LYS 58 Ca 0.02 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.27 1pcs h LYS 58 Cb 0.96 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.34 1pcs h LYS 58 CO 0.35 0.24 0.66 0.20 -0.57 0.00 0.00 179.45 180.33 1pcs s GLY 61 N -4.28 2.98 0.15 3.86 0.00 -1.26 -4.87 107.32 103.90 1pcs s GLY 61 Ca -0.00 1.32 -0.27 0.00 0.00 0.00 0.00 44.72 45.76 1pcs s GLY 61 CO 0.64 1.97 0.85 1.08 0.00 0.00 0.00 173.10 177.64 1pcs s LEU 62 N -1.96 4.56 -0.18 0.66 1.43 -1.26 -4.62 118.68 117.31 1pcs s LEU 62 Ca 0.51 1.71 -0.08 0.00 -1.03 0.00 0.00 54.13 55.24 1pcs s LEU 62 Cb -0.41 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 1pcs s LEU 62 CO 0.54 0.10 0.08 -0.76 0.23 0.00 0.00 176.35 176.54 1pcs s LEU 63 N -0.69 3.93 -0.14 1.79 1.43 -0.30 -4.91 118.68 119.77 1pcs s LEU 63 Ca 0.40 0.15 -0.07 0.00 -1.03 0.00 0.00 54.13 53.57 1pcs s LEU 63 Cb -0.23 -1.99 -0.06 0.00 0.03 0.00 0.00 46.19 43.94 1pcs s LEU 63 CO 0.28 0.20 -0.19 0.49 0.23 0.00 0.00 176.35 177.37 1pcs n PHE 64 N 3.34 0.00 -2.49 0.29 3.01 -1.26 -2.52 117.46 117.83 1pcs n PHE 64 Ca -0.17 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 57.91 1pcs n PHE 64 Cb 0.52 -0.51 -0.04 0.00 -0.01 0.00 0.00 39.48 39.44 1pcs n PHE 64 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pcs s ALA 65 N -2.27 3.20 0.21 4.37 0.00 -1.26 -4.76 121.76 121.25 1pcs s ALA 65 Ca -0.20 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 1pcs s ALA 65 Cb 0.08 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 1pcs s ALA 65 CO 0.25 -0.24 1.34 0.00 0.00 0.00 0.00 175.76 177.12 1pcs s ALA 66 N -1.46 3.55 0.00 0.00 0.00 -1.26 -2.77 121.76 119.81 1pcs s ALA 66 Ca 0.53 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1pcs s ALA 66 Cb -0.26 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1pcs s ALA 66 CO 0.33 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1pcs n GLY 67 N 2.34 2.50 3.77 0.00 0.00 0.01 -5.00 105.19 108.81 1pcs n GLY 67 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1pcs n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pcs s GLU 68 N -0.87 3.06 0.21 1.61 2.02 -1.12 -4.75 118.70 118.86 1pcs s GLU 68 Ca 0.00 1.61 -0.08 0.00 0.02 0.00 0.00 54.97 56.52 1pcs s GLU 68 Cb 0.00 -1.97 -0.02 0.00 0.10 0.00 0.00 34.13 32.25 1pcs s GLU 68 CO 0.00 -1.08 0.31 -1.54 0.02 0.00 0.00 175.26 172.96 1pcs s SER 69 N -1.96 0.03 0.01 -0.19 1.04 -1.26 -0.27 113.70 111.10 1pcs s SER 69 Ca 0.72 -1.08 0.01 0.00 0.48 0.00 0.00 55.95 56.08 1pcs s SER 69 Cb -0.25 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 1pcs s SER 69 CO 0.33 -0.97 -0.04 -0.36 0.98 0.00 0.00 173.24 173.18 1pcs s PHE 70 N -4.06 0.34 -0.00 5.02 0.08 -0.50 -4.98 117.98 113.88 1pcs s PHE 70 Ca 0.27 -0.27 0.04 0.00 0.12 0.00 0.00 56.93 57.10 1pcs s PHE 70 Cb 0.03 -0.22 -0.01 0.00 -0.57 0.00 0.00 43.02 42.25 1pcs s PHE 70 CO 0.08 -0.07 -0.14 0.99 -0.10 0.00 0.00 175.22 175.98 1pcs s THR 71 N -0.70 1.09 -0.02 0.64 2.01 -1.26 -0.83 115.64 116.58 1pcs s THR 71 Ca -0.06 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1pcs s THR 71 Cb -0.05 -0.92 0.01 0.00 0.01 0.00 0.00 72.50 71.54 1pcs s THR 71 CO -0.00 0.27 -0.04 -0.44 -0.69 0.00 0.00 174.62 173.71 1pcs s SER 72 N -0.43 0.63 -0.21 3.53 0.01 -0.92 -5.00 113.70 111.30 1pcs s SER 72 Ca 0.05 -0.09 -0.09 0.00 1.31 0.00 0.00 55.95 57.13 1pcs s SER 72 Cb -0.06 -0.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.96 1pcs s SER 72 CO -0.00 0.01 0.12 -0.89 0.41 0.00 0.00 173.24 172.89 1pcs s THR 73 N 0.26 5.17 -0.46 1.44 2.01 -1.26 -1.43 115.64 121.36 1pcs s THR 73 Ca -0.03 0.11 -0.09 0.00 0.31 0.00 0.00 61.69 61.99 1pcs s THR 73 Cb -0.06 -3.37 0.11 0.00 0.01 0.00 0.00 72.50 69.19 1pcs s THR 73 CO -0.00 0.41 0.32 -0.36 -0.69 0.00 0.00 174.62 174.30 1pcs s PHE 74 N 0.66 3.42 -0.69 4.92 0.40 -0.41 -4.92 117.98 121.36 1pcs s PHE 74 Ca 0.06 -1.84 0.23 0.00 -0.60 0.00 0.00 56.93 54.79 1pcs s PHE 74 Cb -0.12 -3.39 0.19 0.00 0.51 0.00 0.00 43.02 40.20 1pcs s PHE 74 CO 0.01 -0.97 1.16 0.25 0.70 0.00 0.00 175.22 176.37 1pcs n THR 75 N 4.90 0.19 -4.59 0.64 -2.24 -1.26 0.37 114.28 112.28 1pcs n THR 75 Ca -0.08 -0.21 -0.33 0.00 -2.27 0.00 0.00 64.05 61.16 1pcs n THR 75 Cb 0.41 0.15 -0.14 0.00 -2.10 0.00 0.00 70.33 68.66 1pcs n THR 75 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1pcs s GLU 76 N -3.15 3.48 0.50 -0.78 2.56 -1.26 -4.33 118.70 115.72 1pcs s GLU 76 Ca 0.06 -0.62 -0.23 0.00 0.00 0.00 0.00 54.97 54.17 1pcs s GLU 76 Cb 0.15 -2.75 -0.06 0.00 2.00 0.00 0.00 34.13 33.46 1pcs s GLU 76 CO 0.77 0.20 1.38 -2.14 -0.56 0.00 0.00 175.26 174.91 1pcs s PRO 77 N 0.43 3.38 0.00 4.30 0.02 -1.26 -4.86 135.00 137.01 1pcs s PRO 77 Ca -0.07 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.25 1pcs s PRO 77 Cb -0.15 -2.43 0.00 0.00 0.02 0.00 0.00 34.50 31.94 1pcs s PRO 77 CO 0.04 -1.02 0.00 0.41 -0.33 0.00 0.00 177.00 176.10 1pcs n GLY 78 N 0.66 -2.19 3.22 0.52 0.00 -0.17 -4.96 105.19 102.27 1pcs n GLY 78 Ca 0.08 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 1pcs n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pcs s THR 79 N -2.01 3.16 -0.35 2.61 2.01 -1.26 -0.45 115.64 119.35 1pcs s THR 79 Ca 0.00 -1.09 -0.05 0.00 0.31 0.00 0.00 61.69 60.86 1pcs s THR 79 Cb 0.00 -2.69 0.05 0.00 0.01 0.00 0.00 72.50 69.88 1pcs s THR 79 CO 0.00 0.06 0.11 -0.31 -0.69 0.00 0.00 174.62 173.79 1pcs s TYR 80 N 1.34 3.30 0.07 4.92 1.51 0.25 -4.75 117.35 123.98 1pcs s TYR 80 Ca -0.01 -1.64 -0.10 0.00 -1.01 0.00 0.00 57.07 54.30 1pcs s TYR 80 Cb -0.18 -2.42 -0.06 0.00 -0.11 0.00 0.00 41.96 39.20 1pcs s TYR 80 CO -0.02 -0.79 0.40 0.95 -1.11 0.00 0.00 175.55 174.99 1pcs s THR 81 N 1.34 5.09 0.32 -0.71 -4.23 -1.26 -0.71 115.64 115.48 1pcs s THR 81 Ca -0.01 0.50 -0.01 0.00 -1.18 0.00 0.00 61.69 60.99 1pcs s THR 81 Cb -0.20 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 69.98 1pcs s THR 81 CO 0.01 0.33 0.40 -0.72 -0.54 0.00 0.00 174.62 174.10 1pcs s TYR 82 N -1.35 1.14 0.22 3.99 1.13 -0.64 -1.72 117.35 120.12 1pcs s TYR 82 Ca 0.32 -1.32 -0.18 0.00 -1.41 0.00 0.00 57.07 54.47 1pcs s TYR 82 Cb -0.14 -0.23 0.03 0.00 -1.10 0.00 0.00 41.96 40.51 1pcs s TYR 82 CO 0.17 -1.02 0.57 1.52 -2.51 0.00 0.00 175.55 174.29 1pcs s TYR 83 N -3.33 -0.12 -0.41 -3.49 -0.85 -0.04 -1.16 117.35 107.96 1pcs s TYR 83 Ca 0.33 -0.24 -0.15 0.00 -0.52 0.00 0.00 57.07 56.48 1pcs s TYR 83 Cb 0.01 0.46 0.02 0.00 0.38 0.00 0.00 41.96 42.83 1pcs s TYR 83 CO 0.20 -1.00 0.32 0.00 -1.52 0.00 0.00 175.55 173.54 1pcs h GLU 85 N 8.64 -0.35 0.00 0.00 5.08 -1.90 -0.25 114.58 125.80 1pcs h GLU 85 Ca -0.27 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1pcs h GLU 85 Cb 1.12 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1pcs h GLU 85 CO 0.74 -0.23 0.00 -0.35 -1.00 0.00 0.00 179.01 178.16 1pcs n PRO 86 N -5.39 0.16 -0.19 2.33 -0.04 -1.26 -2.56 135.00 128.04 1pcs n PRO 86 Ca -0.02 0.54 0.09 0.00 -0.04 0.00 0.00 63.50 64.07 1pcs n PRO 86 Cb 0.35 -1.91 0.15 0.00 -0.04 0.00 0.00 33.50 32.04 1pcs n PRO 86 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1pcs n HIS 87 N -2.24 0.00 -0.26 0.54 8.25 -0.35 -4.74 115.22 116.43 1pcs n HIS 87 Ca 0.00 -1.08 -0.05 0.00 -0.26 0.00 0.00 57.72 56.33 1pcs n HIS 87 Cb 0.12 -0.17 0.06 0.00 1.12 0.00 0.00 29.99 31.11 1pcs n HIS 87 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1pcs h ARG 88 N 0.21 0.95 -0.62 -0.41 2.43 -0.83 -2.06 114.38 114.05 1pcs h ARG 88 Ca -0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1pcs h ARG 88 Cb 1.01 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 1pcs h ARG 88 CO 0.00 0.65 0.40 0.78 -1.51 0.00 0.00 179.97 180.29 1pcs h GLY 89 N 0.97 0.87 1.38 2.80 0.00 -1.85 0.10 103.07 107.34 1pcs h GLY 89 Ca 0.26 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1pcs h GLY 89 CO -0.05 0.32 0.00 0.00 0.00 0.00 0.00 176.54 176.81 1pcs n ALA 90 N -2.44 2.27 -1.56 3.60 0.00 -0.82 -4.88 120.51 116.67 1pcs n ALA 90 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1pcs n ALA 90 Cb 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1pcs n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pcs n GLY 91 N 0.64 0.50 3.55 0.00 0.00 0.35 -4.94 105.19 105.29 1pcs n GLY 91 Ca 0.14 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1pcs n GLY 91 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pcs s MET 92 N -3.19 3.75 0.21 1.61 -2.45 -0.94 -4.91 119.30 113.37 1pcs s MET 92 Ca 0.00 -1.54 0.08 0.00 -1.25 0.00 0.00 55.69 52.97 1pcs s MET 92 Cb 0.00 -5.36 -0.05 0.00 1.25 0.00 0.00 34.83 30.67 1pcs s MET 92 CO 0.00 -2.16 -0.14 0.14 1.05 0.00 0.00 175.02 173.91 1pcs s VAL 93 N 4.35 1.73 0.28 10.11 -7.23 -1.26 -1.70 120.40 126.69 1pcs s VAL 93 Ca 0.47 -2.21 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 1pcs s VAL 93 Cb 0.01 -2.07 -0.00 0.00 0.56 0.00 0.00 36.38 34.88 1pcs s VAL 93 CO -0.04 -0.58 0.34 0.61 -0.31 0.00 0.00 175.10 175.13 1pcs n GLY 94 N -0.39 2.59 3.50 2.32 0.00 -0.31 -4.47 105.19 108.44 1pcs n GLY 94 Ca -0.08 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 1pcs n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pcs s LYS 95 N -2.83 0.68 -0.14 1.61 2.20 0.02 -1.62 119.74 119.65 1pcs s LYS 95 Ca 0.27 0.89 0.01 0.00 -0.36 0.00 0.00 55.97 56.79 1pcs s LYS 95 Cb 0.00 0.28 0.02 0.00 -1.51 0.00 0.00 37.83 36.62 1pcs s LYS 95 CO 0.19 -0.10 -0.16 0.08 -0.36 0.00 0.00 175.35 175.00 1pcs s VAL 96 N 0.61 1.68 -0.26 4.02 1.01 0.11 -2.14 120.40 125.43 1pcs s VAL 96 Ca -0.02 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 1pcs s VAL 96 Cb -0.05 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1pcs s VAL 96 CO -0.03 0.48 0.08 -0.69 0.00 0.00 0.00 175.10 174.93 1pcs s VAL 97 N 1.19 4.33 -0.21 2.92 1.01 -0.10 -0.59 120.40 128.96 1pcs s VAL 97 Ca -0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1pcs s VAL 97 Cb -0.14 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1pcs s VAL 97 CO -0.07 0.30 -0.00 -0.69 0.00 0.00 0.00 175.10 174.64 1pcs s VAL 98 N 1.61 3.89 -0.13 2.92 1.01 0.40 -0.90 120.40 129.20 1pcs s VAL 98 Ca 0.06 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1pcs s VAL 98 Cb -0.15 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1pcs s VAL 98 CO 0.04 0.42 0.53 -0.62 0.00 0.00 0.00 175.10 175.47