#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nan s GLN 2 N 0.00 3.68 -0.02 0.38 -0.21 -1.26 -4.85 119.66 117.38 1nan s GLN 2 Ca 0.00 0.06 0.05 0.00 0.02 0.00 0.00 55.36 55.49 1nan s GLN 2 Cb 0.00 -2.69 -0.01 0.00 1.00 0.00 0.00 33.01 31.31 1nan s GLN 2 CO 0.00 0.29 -0.16 0.15 -2.12 0.00 0.00 175.29 173.45 1nan s LYS 3 N -3.17 1.35 -0.00 2.91 -0.14 -0.30 -4.95 119.74 115.43 1nan s LYS 3 Ca 0.44 -0.57 -0.26 0.00 -1.36 0.00 0.00 55.97 54.23 1nan s LYS 3 Cb -0.11 -1.28 -0.04 0.00 -1.68 0.00 0.00 37.83 34.72 1nan s LYS 3 CO 0.26 0.32 0.79 0.99 -0.76 0.00 0.00 175.35 176.96 1nan s THR 4 N -0.30 4.87 0.35 2.17 2.01 -1.25 -3.03 115.64 120.45 1nan s THR 4 Ca 0.05 1.67 -0.29 0.00 0.31 0.00 0.00 61.69 63.43 1nan s THR 4 Cb -0.07 -4.14 -0.11 0.00 0.01 0.00 0.00 72.50 68.19 1nan s THR 4 CO -0.00 0.28 1.50 -2.84 -0.69 0.00 0.00 174.62 172.86 1nan s PRO 5 N 0.50 4.13 0.03 4.92 0.02 -1.26 -4.44 135.00 138.90 1nan s PRO 5 Ca 0.41 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.98 1nan s PRO 5 Cb -0.20 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 1nan s PRO 5 CO 0.22 -0.53 0.11 -0.65 -0.33 0.00 0.00 177.00 175.82 1nan s GLN 6 N -1.61 3.09 -0.00 5.54 -1.52 -0.14 -4.97 119.66 120.04 1nan s GLN 6 Ca 0.55 -0.52 -0.00 0.00 -1.95 0.00 0.00 55.36 53.44 1nan s GLN 6 Cb -0.46 -2.86 0.00 0.00 -0.22 0.00 0.00 33.01 29.47 1nan s GLN 6 CO 0.58 0.62 0.01 0.42 -0.25 0.00 0.00 175.29 176.67 1nan s ILE 7 N -1.30 -0.01 0.07 1.08 1.01 -1.26 -1.56 121.20 119.23 1nan s ILE 7 Ca 0.27 0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.00 1nan s ILE 7 Cb -0.12 -0.03 -0.03 0.00 0.01 0.00 0.00 42.46 42.29 1nan s ILE 7 CO 0.18 0.01 -0.17 -1.10 0.00 0.00 0.00 174.94 173.86 1nan s GLN 8 N 0.11 1.01 -0.09 2.79 -0.21 -0.90 -4.99 119.66 117.38 1nan s GLN 8 Ca -0.01 -0.96 0.00 0.00 0.02 0.00 0.00 55.36 54.42 1nan s GLN 8 Cb -0.01 -1.10 0.02 0.00 1.00 0.00 0.00 33.01 32.92 1nan s GLN 8 CO -0.00 0.26 -0.07 0.08 -2.12 0.00 0.00 175.29 173.44 1nan s VAL 9 N -1.07 0.90 0.13 1.09 1.01 -1.26 -1.03 120.40 120.17 1nan s VAL 9 Ca 0.02 -0.24 -0.24 0.00 0.00 0.00 0.00 61.98 61.52 1nan s VAL 9 Cb -0.09 -0.92 0.07 0.00 0.00 0.00 0.00 36.38 35.44 1nan s VAL 9 CO 0.02 0.33 0.63 -0.72 0.00 0.00 0.00 175.10 175.37 1nan s TYR 10 N 1.48 -0.53 0.36 5.22 -0.85 -0.95 -4.42 117.35 117.66 1nan s TYR 10 Ca -0.00 0.38 -0.04 0.00 -0.52 0.00 0.00 57.07 56.89 1nan s TYR 10 Cb -0.13 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 1nan s TYR 10 CO -0.05 -0.81 0.63 -1.54 -1.52 0.00 0.00 175.55 172.26 1nan s SER 11 N -2.61 6.37 0.06 -0.18 1.04 -1.26 -0.28 113.70 116.83 1nan s SER 11 Ca 0.00 0.74 -0.21 0.00 0.48 0.00 0.00 55.95 56.96 1nan s SER 11 Cb -0.01 -2.16 -0.13 0.00 0.10 0.00 0.00 66.02 63.83 1nan s SER 11 CO -0.11 -0.33 1.49 -0.09 0.98 0.00 0.00 173.24 175.17 1nan h ARG 12 N 1.04 0.24 -6.14 4.02 2.43 -1.23 -3.46 114.38 111.29 1nan h ARG 12 Ca -0.48 -0.08 -0.53 0.00 -0.81 0.00 0.00 59.98 58.08 1nan h ARG 12 Cb 1.20 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.66 1nan h ARG 12 CO 0.64 0.47 -0.53 -1.01 -1.51 0.00 0.00 179.97 178.03 1nan s HIS 13 N -5.00 2.78 -0.07 2.20 3.76 -1.26 -5.05 115.29 112.65 1nan s HIS 13 Ca -0.14 -0.33 -0.36 0.00 -0.15 0.00 0.00 55.06 54.08 1nan s HIS 13 Cb 0.06 -1.62 -0.14 0.00 1.11 0.00 0.00 32.58 31.99 1nan s HIS 13 CO 0.71 0.34 1.73 -2.30 -0.85 0.00 0.00 174.74 174.37 1nan n PRO 14 N -1.18 1.78 -1.71 8.40 -0.02 -1.26 -4.87 135.00 136.14 1nan n PRO 14 Ca -0.03 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 1nan n PRO 14 Cb 0.60 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 1nan n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1nan s PRO 15 N 2.95 4.14 -0.10 0.52 0.04 -1.26 -5.00 135.00 136.28 1nan s PRO 15 Ca 0.91 2.60 0.01 0.00 0.04 0.00 0.00 61.00 64.56 1nan s PRO 15 Cb -0.82 -3.65 0.02 0.00 0.04 0.00 0.00 34.50 30.09 1nan s PRO 15 CO 0.52 -0.86 -0.12 -1.21 0.04 0.00 0.00 177.00 175.38 1nan s GLU 16 N 2.91 1.88 0.20 4.56 2.02 -1.26 -5.10 118.70 123.90 1nan s GLU 16 Ca 0.82 -0.42 -0.32 0.00 0.02 0.00 0.00 54.97 55.06 1nan s GLU 16 Cb -0.46 -1.70 -0.11 0.00 0.10 0.00 0.00 34.13 31.96 1nan s GLU 16 CO 0.37 -0.13 1.68 -0.80 0.02 0.00 0.00 175.26 176.41 1nan s ASN 17 N 1.20 6.43 0.00 -0.19 0.01 -1.26 -1.46 114.94 119.66 1nan s ASN 17 Ca -0.04 2.81 0.00 0.00 -0.71 0.00 0.00 52.86 54.93 1nan s ASN 17 Cb -0.14 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.92 1nan s ASN 17 CO -0.03 -0.94 0.00 0.61 -1.51 0.00 0.00 177.10 175.23 1nan n GLY 18 N 3.87 0.74 3.27 0.66 0.00 0.89 -4.97 105.19 109.65 1nan n GLY 18 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1nan n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nan s LYS 19 N -0.02 3.14 0.22 1.61 2.20 -0.54 -4.98 119.74 121.37 1nan s LYS 19 Ca 0.00 -0.78 -0.29 0.00 -0.36 0.00 0.00 55.97 54.54 1nan s LYS 19 Cb 0.00 -3.04 -0.16 0.00 -1.51 0.00 0.00 37.83 33.12 1nan s LYS 19 CO 0.00 -0.30 0.82 -2.30 -0.36 0.00 0.00 175.35 173.21 1nan n PRO 20 N 4.76 0.67 -2.65 4.03 -0.02 -1.26 -4.44 135.00 136.09 1nan n PRO 20 Ca -0.17 0.23 -0.06 0.00 -2.02 0.00 0.00 63.50 61.48 1nan n PRO 20 Cb 0.49 -1.46 -0.01 0.00 -0.02 0.00 0.00 33.50 32.50 1nan n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1nan n ASN 21 N 1.68 -0.74 -4.01 2.55 2.85 0.11 -4.98 115.26 112.72 1nan n ASN 21 Ca 0.14 -1.88 -0.28 0.00 -0.11 0.00 0.00 54.58 52.46 1nan n ASN 21 Cb 0.27 1.34 -0.17 0.00 1.24 0.00 0.00 39.78 42.46 1nan n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1nan s ILE 22 N -2.61 1.35 -0.18 -1.44 -1.09 -1.26 -1.94 121.20 114.03 1nan s ILE 22 Ca 0.13 -0.53 -0.15 0.00 -2.23 0.00 0.00 60.65 57.87 1nan s ILE 22 Cb -0.01 -1.27 -0.04 0.00 -1.58 0.00 0.00 42.46 39.56 1nan s ILE 22 CO 0.09 0.42 0.36 -0.22 -1.23 0.00 0.00 174.94 174.35 1nan s LEU 23 N 1.24 4.20 0.07 2.97 2.96 -0.23 -0.60 118.68 129.29 1nan s LEU 23 Ca -0.02 0.53 0.03 0.00 -0.22 0.00 0.00 54.13 54.45 1nan s LEU 23 Cb -0.14 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1nan s LEU 23 CO -0.05 0.01 0.08 0.20 -1.32 0.00 0.00 176.35 175.27 1nan s ASN 24 N 0.77 5.55 -0.22 3.68 0.01 0.62 -0.66 114.94 124.69 1nan s ASN 24 Ca 0.18 0.01 -0.03 0.00 -0.71 0.00 0.00 52.86 52.32 1nan s ASN 24 Cb -0.14 -1.50 0.07 0.00 0.41 0.00 0.00 41.25 40.08 1nan s ASN 24 CO 0.06 0.18 0.05 0.00 -1.51 0.00 0.00 177.10 175.89 1nan s TYR 26 N 1.84 3.12 -0.15 0.00 5.04 -0.20 -0.77 117.35 126.25 1nan s TYR 26 Ca 0.01 -0.33 0.02 0.00 -2.44 0.00 0.00 57.07 54.33 1nan s TYR 26 Cb -0.17 -2.28 0.01 0.00 0.35 0.00 0.00 41.96 39.87 1nan s TYR 26 CO -0.12 -0.33 -0.21 0.08 -1.34 0.00 0.00 175.55 173.63 1nan s VAL 27 N 1.64 1.98 0.37 3.14 1.01 -0.49 -2.11 120.40 125.95 1nan s VAL 27 Ca 0.06 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.16 1nan s VAL 27 Cb -0.15 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1nan s VAL 27 CO 0.05 0.53 0.09 0.42 0.00 0.00 0.00 175.10 176.19 1nan s THR 28 N 0.96 0.91 -1.85 3.92 -4.23 -0.60 -0.87 115.64 113.88 1nan s THR 28 Ca -0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 1nan s THR 28 Cb -0.15 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1nan s THR 28 CO -0.05 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.03 1nan n GLN 29 N -0.81 -1.39 -4.14 3.99 1.13 -0.92 -0.97 117.38 114.27 1nan n GLN 29 Ca -0.05 1.07 -0.30 0.00 -1.94 0.00 0.00 57.00 55.78 1nan n GLN 29 Cb 0.66 -5.47 -0.08 0.00 0.11 0.00 0.00 30.24 25.46 1nan n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1nan s PHE 30 N -2.80 2.96 -0.28 1.08 -0.71 -1.14 -3.94 117.98 113.16 1nan s PHE 30 Ca 0.00 -0.04 -0.20 0.00 -1.04 0.00 0.00 56.93 55.65 1nan s PHE 30 Cb 0.00 -1.52 0.08 0.00 -1.21 0.00 0.00 43.02 40.37 1nan s PHE 30 CO 0.00 0.48 0.72 -1.58 -1.34 0.00 0.00 175.22 173.50 1nan s HIS 31 N -1.31 -0.93 1.07 3.49 2.46 -1.17 -0.48 115.29 118.42 1nan s HIS 31 Ca 0.25 1.99 -0.14 0.00 0.47 0.00 0.00 55.06 57.63 1nan s HIS 31 Cb -0.12 0.48 0.22 0.00 -0.13 0.00 0.00 32.58 33.04 1nan s HIS 31 CO 0.18 -0.45 1.10 -1.25 -2.47 0.00 0.00 174.74 171.84 1nan s PRO 32 N 1.10 -0.15 0.53 2.88 0.04 -1.26 -1.15 135.00 136.99 1nan s PRO 32 Ca -0.06 0.33 0.29 0.00 0.04 0.00 0.00 61.00 61.61 1nan s PRO 32 Cb -0.05 -1.69 1.48 0.00 0.04 0.00 0.00 34.50 34.28 1nan s PRO 32 CO -0.11 -3.08 2.07 -1.00 0.04 0.00 0.00 177.00 174.91 1nan h PRO 33 N -2.14 0.00 -6.60 0.56 0.13 -1.98 -3.44 132.00 118.53 1nan h PRO 33 Ca -0.52 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.08 1nan h PRO 33 Cb 1.32 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.49 1nan h PRO 33 CO 0.51 0.11 0.82 -1.58 -0.23 0.00 0.00 178.00 177.62 1nan s HIS 34 N -4.08 3.12 -0.18 1.56 2.46 -1.26 -4.98 115.29 111.93 1nan s HIS 34 Ca -0.02 0.77 -0.27 0.00 0.47 0.00 0.00 55.06 56.01 1nan s HIS 34 Cb 0.12 -3.84 0.07 0.00 -0.13 0.00 0.00 32.58 28.81 1nan s HIS 34 CO 0.57 -3.01 0.70 -1.50 -2.47 0.00 0.00 174.74 169.03 1nan s ILE 35 N 1.01 0.00 -0.12 0.89 2.07 -1.26 -4.67 121.20 119.11 1nan s ILE 35 Ca 0.67 -0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.94 1nan s ILE 35 Cb -0.41 -0.99 0.01 0.00 0.13 0.00 0.00 42.46 41.19 1nan s ILE 35 CO 0.32 -0.00 -0.22 -1.61 -1.91 0.00 0.00 174.94 171.51 1nan s GLU 36 N -0.25 3.00 -0.11 3.50 2.02 -0.54 -5.00 118.70 121.32 1nan s GLU 36 Ca -0.04 -0.85 0.01 0.00 0.02 0.00 0.00 54.97 54.10 1nan s GLU 36 Cb -0.03 -2.36 0.02 0.00 0.10 0.00 0.00 34.13 31.86 1nan s GLU 36 CO 0.05 0.06 -0.13 0.42 0.02 0.00 0.00 175.26 175.67 1nan s ILE 37 N 0.64 1.37 0.09 -1.63 1.01 -1.26 -0.40 121.20 121.02 1nan s ILE 37 Ca -0.12 -0.55 0.09 0.00 0.00 0.00 0.00 60.65 60.07 1nan s ILE 37 Cb -0.16 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 1nan s ILE 37 CO 0.02 0.42 -0.23 -1.10 0.00 0.00 0.00 174.94 174.05 1nan s GLN 38 N 1.15 1.29 -0.10 2.79 -0.21 -0.20 -4.99 119.66 119.39 1nan s GLN 38 Ca -0.04 -1.16 -0.02 0.00 0.02 0.00 0.00 55.36 54.16 1nan s GLN 38 Cb -0.14 -1.57 -0.03 0.00 1.00 0.00 0.00 33.01 32.26 1nan s GLN 38 CO -0.03 0.38 -0.01 -1.64 -2.12 0.00 0.00 175.29 171.86 1nan s MET 39 N -1.76 3.14 -0.01 2.91 -1.94 -1.26 -0.18 119.30 120.21 1nan s MET 39 Ca 0.09 -0.44 0.08 0.00 -1.71 0.00 0.00 55.69 53.70 1nan s MET 39 Cb -0.10 -2.81 -0.02 0.00 2.01 0.00 0.00 34.83 33.91 1nan s MET 39 CO 0.04 0.58 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.89 1nan s LEU 40 N -0.56 2.20 -0.25 -0.03 1.43 -0.03 -0.99 118.68 120.45 1nan s LEU 40 Ca 0.09 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1nan s LEU 40 Cb -0.12 -1.37 0.05 0.00 0.03 0.00 0.00 46.19 44.78 1nan s LEU 40 CO 0.02 0.31 -0.10 -0.75 0.23 0.00 0.00 176.35 176.06 1nan s LYS 41 N -0.78 2.46 -1.40 1.70 2.20 0.86 -1.97 119.74 122.79 1nan s LYS 41 Ca 0.11 -1.21 -0.07 0.00 -0.36 0.00 0.00 55.97 54.44 1nan s LYS 41 Cb -0.10 -2.89 0.04 0.00 -1.51 0.00 0.00 37.83 33.36 1nan s LYS 41 CO 0.00 -0.50 0.87 0.09 -0.36 0.00 0.00 175.35 175.46 1nan n ASN 42 N 4.52 -3.18 0.00 1.43 3.02 0.63 -1.69 115.26 119.98 1nan n ASN 42 Ca -0.15 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1nan n ASN 42 Cb 0.44 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.50 1nan n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nan n GLY 43 N -1.65 2.97 3.79 7.41 0.00 -1.26 -5.01 105.19 111.45 1nan n GLY 43 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1nan n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nan s LYS 44 N 0.00 3.64 0.10 1.61 2.20 -0.68 -5.02 119.74 121.59 1nan s LYS 44 Ca 0.00 -0.21 -0.35 0.00 -0.36 0.00 0.00 55.97 55.05 1nan s LYS 44 Cb 0.00 -3.20 -0.14 0.00 -1.51 0.00 0.00 37.83 32.97 1nan s LYS 44 CO 0.00 0.59 1.56 1.17 -0.36 0.00 0.00 175.35 178.31 1nan n LYS 45 N 2.57 1.90 -3.30 4.03 4.81 -1.26 -0.10 118.16 126.81 1nan n LYS 45 Ca -0.18 0.69 -0.39 0.00 -0.87 0.00 0.00 58.31 57.56 1nan n LYS 45 Cb 0.54 -2.43 -0.07 0.00 0.02 0.00 0.00 35.03 33.09 1nan n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1nan s ILE 46 N 1.26 5.15 0.04 3.15 1.01 -0.16 -4.83 121.20 126.82 1nan s ILE 46 Ca 0.82 0.90 -0.05 0.00 0.00 0.00 0.00 60.65 62.32 1nan s ILE 46 Cb -0.76 -3.81 -0.29 0.00 0.01 0.00 0.00 42.46 37.62 1nan s ILE 46 CO 0.42 0.24 1.00 1.55 0.00 0.00 0.00 174.94 178.15 1nan h PRO 47 N 7.19 0.29 -4.89 2.79 0.13 -1.94 -3.41 132.00 132.16 1nan h PRO 47 Ca -0.37 -0.50 -0.73 0.00 -0.87 0.00 0.00 66.00 63.54 1nan h PRO 47 Cb 1.16 0.19 -0.15 0.00 0.13 0.00 0.00 31.00 32.33 1nan h PRO 47 CO 0.74 1.20 1.62 1.17 -0.23 0.00 0.00 178.00 182.50 1nan n LYS 48 N -3.52 3.34 -4.36 0.86 4.81 -1.26 -4.95 118.16 113.08 1nan n LYS 48 Ca -0.13 -3.69 -0.30 0.00 -0.87 0.00 0.00 58.31 53.33 1nan n LYS 48 Cb 1.04 -3.14 -0.17 0.00 0.02 0.00 0.00 35.03 32.79 1nan n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1nan s VAL 49 N 2.08 1.62 0.14 3.15 1.01 -1.26 -4.54 120.40 122.61 1nan s VAL 49 Ca 0.45 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 1nan s VAL 49 Cb -0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.84 1nan s VAL 49 CO 0.02 0.47 0.40 -1.61 0.00 0.00 0.00 175.10 174.37 1nan s GLU 50 N 1.10 3.66 -0.10 2.72 2.02 -0.65 -4.94 118.70 122.51 1nan s GLU 50 Ca -0.03 -0.00 0.03 0.00 0.02 0.00 0.00 54.97 54.99 1nan s GLU 50 Cb -0.14 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.25 1nan s GLU 50 CO -0.04 0.46 -0.22 -1.64 0.02 0.00 0.00 175.26 173.83 1nan s MET 51 N -2.57 2.88 1.24 1.61 -1.94 -1.26 -1.56 119.30 117.71 1nan s MET 51 Ca 0.41 -0.82 -0.18 0.00 -1.71 0.00 0.00 55.69 53.39 1nan s MET 51 Cb -0.12 -2.22 0.30 0.00 2.01 0.00 0.00 34.83 34.80 1nan s MET 51 CO 0.23 0.12 1.03 -1.54 -0.01 0.00 0.00 175.02 174.85 1nan s SER 52 N 0.48 0.47 0.59 3.03 1.04 0.31 -5.01 113.70 114.61 1nan s SER 52 Ca -0.16 0.97 -0.13 0.00 0.48 0.00 0.00 55.95 57.11 1nan s SER 52 Cb -0.17 -1.43 -0.05 0.00 0.10 0.00 0.00 66.02 64.46 1nan s SER 52 CO 0.06 -4.44 1.02 -1.81 0.98 0.00 0.00 173.24 169.05 1nan s ASP 53 N -3.28 6.28 0.08 7.02 1.01 -1.26 -4.77 116.67 121.74 1nan s ASP 53 Ca 0.69 1.49 -0.24 0.00 0.71 0.00 0.00 52.55 55.20 1nan s ASP 53 Cb -0.16 -2.48 -0.06 0.00 1.01 0.00 0.00 42.92 41.23 1nan s ASP 53 CO 0.59 -0.83 0.72 -0.32 0.21 0.00 0.00 175.17 175.54 1nan s MET 54 N -4.82 4.46 0.32 8.23 1.75 -1.26 -4.70 119.30 123.28 1nan s MET 54 Ca 0.57 1.01 0.07 0.00 -1.25 0.00 0.00 55.69 56.08 1nan s MET 54 Cb -0.11 -3.32 -0.06 0.00 2.84 0.00 0.00 34.83 34.18 1nan s MET 54 CO 0.47 0.42 -0.04 -1.12 -0.65 0.00 0.00 175.02 174.10 1nan s SER 55 N -0.51 3.11 0.16 1.11 0.01 -0.93 -5.02 113.70 111.63 1nan s SER 55 Ca 0.36 -1.24 0.06 0.00 1.31 0.00 0.00 55.95 56.43 1nan s SER 55 Cb -0.21 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 1nan s SER 55 CO 0.23 -0.36 -0.13 0.72 0.41 0.00 0.00 173.24 174.10 1nan s PHE 56 N -2.91 1.48 0.04 2.43 -0.12 -1.26 -0.91 117.98 116.73 1nan s PHE 56 Ca 0.32 -0.61 0.00 0.00 -0.05 0.00 0.00 56.93 56.59 1nan s PHE 56 Cb 0.05 -0.74 0.00 0.00 -0.63 0.00 0.00 43.02 41.71 1nan s PHE 56 CO 0.14 0.20 0.03 -1.13 -0.05 0.00 0.00 175.22 174.41 1nan n SER 57 N 0.05 1.24 0.04 1.98 3.41 0.38 -4.94 113.62 115.78 1nan n SER 57 Ca -0.12 -1.15 0.19 0.00 -0.26 0.00 0.00 58.87 57.53 1nan n SER 57 Cb 0.59 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.24 1nan n SER 57 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1nan h LYS 58 N 0.00 0.00 -0.39 4.33 1.63 -2.03 0.14 116.57 120.25 1nan h LYS 58 Ca -0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1nan h LYS 58 Cb 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1nan h LYS 58 CO 0.04 0.00 0.00 -0.40 -3.45 0.00 0.00 179.45 175.64 1nan n ASP 59 N -4.34 2.32 0.00 4.20 5.68 -1.26 -4.91 116.55 118.24 1nan n ASP 59 Ca 0.08 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 1nan n ASP 59 Cb 0.55 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1nan n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1nan n TRP 60 N 0.76 0.00 -2.53 2.11 5.03 0.49 -5.02 117.44 118.28 1nan n TRP 60 Ca 0.15 0.00 -0.34 0.00 3.03 0.00 0.00 57.50 60.35 1nan n TRP 60 Cb 0.38 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 30.62 1nan n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1nan s SER 61 N -2.84 6.39 0.31 -0.99 1.04 -1.26 -4.66 113.70 111.69 1nan s SER 61 Ca 0.00 1.87 -0.01 0.00 0.48 0.00 0.00 55.95 58.29 1nan s SER 61 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 1nan s SER 61 CO 0.00 -0.75 0.53 -0.36 0.98 0.00 0.00 173.24 173.64 1nan s PHE 62 N -2.08 3.49 -0.05 5.02 0.40 0.37 -0.47 117.98 124.66 1nan s PHE 62 Ca 0.66 0.43 -0.16 0.00 -0.60 0.00 0.00 56.93 57.26 1nan s PHE 62 Cb -0.15 -1.95 0.03 0.00 0.51 0.00 0.00 43.02 41.46 1nan s PHE 62 CO 0.21 0.17 0.36 1.52 0.70 0.00 0.00 175.22 178.18 1nan s TYR 63 N -2.20 -0.29 0.05 0.36 -0.85 -0.09 -2.17 117.35 112.16 1nan s TYR 63 Ca 0.41 0.55 -0.13 0.00 -0.52 0.00 0.00 57.07 57.37 1nan s TYR 63 Cb -0.10 0.14 0.02 0.00 0.38 0.00 0.00 41.96 42.40 1nan s TYR 63 CO 0.34 -0.36 0.30 -1.50 -1.52 0.00 0.00 175.55 172.80 1nan s ILE 64 N -0.90 0.08 -0.15 -3.49 2.07 -0.05 -2.18 121.20 116.58 1nan s ILE 64 Ca -0.10 -0.70 0.01 0.00 -1.41 0.00 0.00 60.65 58.45 1nan s ILE 64 Cb -0.04 -0.95 -0.00 0.00 0.13 0.00 0.00 42.46 41.60 1nan s ILE 64 CO 0.04 -0.38 -0.17 -0.22 -1.91 0.00 0.00 174.94 172.30 1nan s LEU 65 N -2.10 2.42 -0.01 8.50 2.96 -1.26 -1.40 118.68 127.79 1nan s LEU 65 Ca -0.05 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.39 1nan s LEU 65 Cb -0.01 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 1nan s LEU 65 CO -0.04 0.10 0.01 0.00 -1.32 0.00 0.00 176.35 175.10 1nan s ALA 66 N 0.74 3.30 0.08 5.97 0.00 0.05 -0.53 121.76 131.38 1nan s ALA 66 Ca -0.07 -0.93 -0.14 0.00 0.00 0.00 0.00 51.96 50.82 1nan s ALA 66 Cb -0.16 -1.37 0.02 0.00 0.00 0.00 0.00 23.12 21.62 1nan s ALA 66 CO 0.01 0.64 0.33 -3.38 0.00 0.00 0.00 175.76 173.36 1nan s HIS 67 N -1.07 -0.11 -0.05 0.00 -3.43 -0.60 0.99 115.29 111.01 1nan s HIS 67 Ca 0.19 -0.12 -0.13 0.00 -0.80 0.00 0.00 55.06 54.20 1nan s HIS 67 Cb -0.12 0.14 0.02 0.00 -1.43 0.00 0.00 32.58 31.20 1nan s HIS 67 CO 0.10 -0.59 0.30 -0.08 -2.00 0.00 0.00 174.74 172.47 1nan s THR 68 N -3.21 0.04 0.30 -5.38 -1.32 0.16 -1.64 115.64 104.59 1nan s THR 68 Ca -0.00 -0.32 -0.29 0.00 -1.21 0.00 0.00 61.69 59.86 1nan s THR 68 Cb 0.01 -0.54 -0.10 0.00 -1.51 0.00 0.00 72.50 70.36 1nan s THR 68 CO -0.08 -0.18 1.23 -1.61 -2.21 0.00 0.00 174.62 171.78 1nan s GLU 69 N -0.81 4.46 0.16 7.08 2.02 -1.26 -1.07 118.70 129.29 1nan s GLU 69 Ca -0.09 2.05 -0.23 0.00 0.02 0.00 0.00 54.97 56.72 1nan s GLU 69 Cb -0.04 -3.13 0.06 0.00 0.10 0.00 0.00 34.13 31.12 1nan s GLU 69 CO 0.03 -0.04 0.69 -0.59 0.02 0.00 0.00 175.26 175.36 1nan s PHE 70 N -1.04 -0.41 -0.29 1.61 -0.71 -0.82 -4.86 117.98 111.45 1nan s PHE 70 Ca 0.48 0.15 -0.00 0.00 -1.04 0.00 0.00 56.93 56.52 1nan s PHE 70 Cb -0.37 0.60 0.09 0.00 -1.21 0.00 0.00 43.02 42.13 1nan s PHE 70 CO 0.47 -0.89 0.07 0.99 -1.34 0.00 0.00 175.22 174.52 1nan s THR 71 N -3.67 1.11 0.67 -4.49 2.01 -1.26 0.09 115.64 110.09 1nan s THR 71 Ca 0.04 -1.43 -0.17 0.00 0.31 0.00 0.00 61.69 60.44 1nan s THR 71 Cb -0.02 -1.76 0.00 0.00 0.01 0.00 0.00 72.50 70.73 1nan s THR 71 CO -0.07 -0.56 1.24 -2.16 -0.69 0.00 0.00 174.62 172.38 1nan s PRO 72 N 1.52 2.48 0.33 4.92 0.04 -1.26 -4.72 135.00 138.30 1nan s PRO 72 Ca 0.07 1.91 0.06 0.00 0.04 0.00 0.00 61.00 63.07 1nan s PRO 72 Cb -0.18 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1nan s PRO 72 CO -0.19 -1.61 0.23 0.95 0.04 0.00 0.00 177.00 176.42 1nan s THR 73 N -1.65 0.13 0.42 1.26 -4.23 -1.26 -0.07 115.64 110.23 1nan s THR 73 Ca 0.79 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.46 1nan s THR 73 Cb -0.33 -2.47 0.18 0.00 1.34 0.00 0.00 72.50 71.22 1nan s THR 73 CO 0.40 0.00 1.96 -0.08 -0.54 0.00 0.00 174.62 176.36 1nan h GLU 74 N 2.12 0.00 0.00 3.99 4.81 -1.97 -3.34 114.58 120.20 1nan h GLU 74 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1nan h GLU 74 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1nan h GLU 74 CO 0.43 0.23 -0.22 0.25 -0.73 0.00 0.00 179.01 178.97 1nan n THR 75 N -4.13 0.00 -2.13 0.32 -2.24 -1.26 -5.01 114.28 99.83 1nan n THR 75 Ca -0.02 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 60.94 1nan n THR 75 Cb 0.29 0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 69.45 1nan n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nan s ASP 76 N -1.34 6.79 -0.14 3.42 1.01 -1.26 -5.00 116.67 120.15 1nan s ASP 76 Ca 0.01 2.58 -0.06 0.00 0.71 0.00 0.00 52.55 55.79 1nan s ASP 76 Cb 0.02 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 1nan s ASP 76 CO 0.11 -0.57 0.07 -0.89 0.21 0.00 0.00 175.17 174.10 1nan s THR 77 N -0.43 4.91 0.13 -1.27 2.01 -1.26 -4.84 115.64 114.89 1nan s THR 77 Ca 0.54 -0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.62 1nan s THR 77 Cb -0.39 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1nan s THR 77 CO 0.45 0.54 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.41 1nan s TYR 78 N -0.34 1.85 0.19 4.92 1.51 -1.26 -0.27 117.35 123.94 1nan s TYR 78 Ca 0.09 -0.43 -0.21 0.00 -1.01 0.00 0.00 57.07 55.51 1nan s TYR 78 Cb -0.12 -0.98 0.05 0.00 -0.11 0.00 0.00 41.96 40.80 1nan s TYR 78 CO 0.02 0.26 0.60 0.00 -1.11 0.00 0.00 175.55 175.32 1nan s ALA 79 N -1.47 -1.36 -0.05 3.71 0.00 -0.83 -0.17 121.76 121.59 1nan s ALA 79 Ca 0.10 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.26 1nan s ALA 79 Cb -0.09 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.90 1nan s ALA 79 CO 0.05 -0.82 -0.13 0.00 0.00 0.00 0.00 175.76 174.86 1nan s ARG 81 N 0.31 2.90 -0.08 0.00 3.52 0.75 -0.52 118.95 125.83 1nan s ARG 81 Ca -0.08 -0.87 0.03 0.00 -0.13 0.00 0.00 55.73 54.68 1nan s ARG 81 Cb -0.12 -2.28 0.01 0.00 -1.56 0.00 0.00 34.95 31.00 1nan s ARG 81 CO 0.02 0.26 -0.15 0.08 -0.81 0.00 0.00 175.30 174.70 1nan s VAL 82 N 0.16 1.39 -0.08 7.11 1.01 -0.18 -1.03 120.40 128.77 1nan s VAL 82 Ca -0.13 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1nan s VAL 82 Cb -0.16 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1nan s VAL 82 CO 0.07 0.41 -0.09 -0.54 0.00 0.00 0.00 175.10 174.95 1nan s LYS 83 N 0.60 2.89 -0.28 2.72 1.02 0.46 -1.07 119.74 126.08 1nan s LYS 83 Ca -0.15 -0.61 -0.21 0.00 0.02 0.00 0.00 55.97 55.02 1nan s LYS 83 Cb -0.16 -2.58 0.10 0.00 -0.52 0.00 0.00 37.83 34.67 1nan s LYS 83 CO 0.05 0.54 0.84 -1.58 -0.92 0.00 0.00 175.35 174.27 1nan s HIS 84 N -0.48 -0.74 0.29 3.18 2.46 -1.26 -1.47 115.29 117.27 1nan s HIS 84 Ca 0.07 1.64 -0.01 0.00 0.47 0.00 0.00 55.06 57.23 1nan s HIS 84 Cb -0.12 0.40 0.66 0.00 -0.13 0.00 0.00 32.58 33.39 1nan s HIS 84 CO 0.02 -0.36 1.59 -0.44 -2.47 0.00 0.00 174.74 173.08 1nan h ASP 85 N 5.51 -0.45 0.00 9.88 5.19 -1.95 0.12 116.42 134.72 1nan h ASP 85 Ca -0.29 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1nan h ASP 85 Cb 1.19 0.45 0.00 0.00 0.18 0.00 0.00 39.33 41.15 1nan h ASP 85 CO 0.12 -0.30 0.12 -1.54 -3.12 0.00 0.00 179.24 174.52 1nan n SER 86 N -5.45 0.00 -4.07 6.45 3.41 -1.26 -4.60 113.62 108.09 1nan n SER 86 Ca 0.20 0.21 -0.17 0.00 -0.26 0.00 0.00 58.87 58.86 1nan n SER 86 Cb 0.67 -0.21 -0.13 0.00 -0.26 0.00 0.00 64.21 64.28 1nan n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1nan s MET 87 N -2.30 0.69 0.08 4.33 -1.94 0.03 -4.87 119.30 115.32 1nan s MET 87 Ca 0.00 -0.62 -0.20 0.00 -1.71 0.00 0.00 55.69 53.16 1nan s MET 87 Cb 0.00 -0.62 -0.10 0.00 2.01 0.00 0.00 34.83 36.12 1nan s MET 87 CO 0.00 0.15 1.59 0.00 -0.01 0.00 0.00 175.02 176.75 1nan h ALA 88 N 5.07 0.23 -3.24 3.03 0.00 -1.84 -3.44 119.26 119.07 1nan h ALA 88 Ca -0.35 -0.13 -0.64 0.00 0.00 0.00 0.00 54.91 53.79 1nan h ALA 88 Cb 1.19 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 1nan h ALA 88 CO 0.44 -0.15 -0.73 -1.21 0.00 0.00 0.00 179.25 177.60 1nan s GLU 89 N -5.39 2.06 0.34 0.00 2.02 -1.26 -5.06 118.70 111.41 1nan s GLU 89 Ca -0.14 -1.18 -0.28 0.00 0.02 0.00 0.00 54.97 53.38 1nan s GLU 89 Cb 0.07 -2.20 -0.12 0.00 0.10 0.00 0.00 34.13 31.98 1nan s GLU 89 CO 0.71 0.46 1.40 -2.30 0.02 0.00 0.00 175.26 175.54 1nan n PRO 90 N 0.31 2.37 -3.94 0.39 -0.02 -1.26 -4.84 135.00 127.99 1nan n PRO 90 Ca -0.12 0.83 -0.35 0.00 -2.02 0.00 0.00 63.50 61.84 1nan n PRO 90 Cb 0.54 -2.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.40 1nan n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1nan s LYS 91 N -1.74 3.48 -0.13 -0.52 2.20 -0.24 -4.92 119.74 117.87 1nan s LYS 91 Ca 0.56 -0.58 -0.05 0.00 -0.36 0.00 0.00 55.97 55.55 1nan s LYS 91 Cb -0.53 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1nan s LYS 91 CO 0.61 -0.14 0.05 0.99 -0.36 0.00 0.00 175.35 176.50 1nan s THR 92 N 1.37 4.71 -0.07 3.43 2.01 -1.26 -1.01 115.64 124.81 1nan s THR 92 Ca 0.04 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.98 1nan s THR 92 Cb -0.14 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.33 1nan s THR 92 CO -0.01 0.56 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.66 1nan s VAL 93 N -0.44 1.17 0.05 3.82 1.01 0.32 -4.96 120.40 121.37 1nan s VAL 93 Ca 0.09 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 1nan s VAL 93 Cb -0.12 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1nan s VAL 93 CO 0.02 0.36 0.28 -0.31 0.00 0.00 0.00 175.10 175.46 1nan s TYR 94 N 0.66 3.55 -0.06 5.22 2.02 -1.26 -0.39 117.35 127.08 1nan s TYR 94 Ca -0.15 0.51 -0.30 0.00 -0.37 0.00 0.00 57.07 56.77 1nan s TYR 94 Cb -0.16 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.41 1nan s TYR 94 CO 0.04 0.57 1.41 -0.46 -1.57 0.00 0.00 175.55 175.54 1nan s TRP 95 N -1.41 2.66 -0.29 2.71 -0.00 0.77 -4.85 118.94 118.52 1nan s TRP 95 Ca 0.32 0.74 -0.05 0.00 -0.00 0.00 0.00 56.10 57.11 1nan s TRP 95 Cb -0.13 -3.67 0.03 0.00 -0.00 0.00 0.00 33.47 29.70 1nan s TRP 95 CO 0.20 -2.52 0.04 0.34 -0.00 0.00 0.00 176.95 175.01 1nan s ASP 96 N 2.23 4.93 0.60 5.86 -1.08 -1.26 -4.76 116.67 123.19 1nan s ASP 96 Ca 0.63 -0.94 0.29 0.00 -0.52 0.00 0.00 52.55 52.01 1nan s ASP 96 Cb -0.29 -1.80 1.43 0.00 -1.46 0.00 0.00 42.92 40.81 1nan s ASP 96 CO 0.24 -0.22 1.84 0.03 0.52 0.00 0.00 175.17 177.58 1nan h ARG 97 N 8.14 0.00 -0.59 4.34 3.08 -1.94 0.09 114.38 127.49 1nan h ARG 97 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1nan h ARG 97 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1nan h ARG 97 CO 0.58 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.23 1nan n ASP 98 N -3.62 4.38 0.00 7.04 8.00 -1.26 -4.91 116.55 126.17 1nan n ASP 98 Ca 0.09 -2.39 0.00 0.00 0.71 0.00 0.00 54.79 53.20 1nan n ASP 98 Cb 0.74 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1nan n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04