#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hoc s GLN 2 N 0.00 4.13 -0.12 9.51 -0.21 -1.26 -4.35 119.66 127.36 1hoc s GLN 2 Ca 0.00 -0.23 -0.06 0.00 0.02 0.00 0.00 55.36 55.08 1hoc s GLN 2 Cb 0.00 -3.48 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 1hoc s GLN 2 CO 0.00 0.18 0.11 0.15 -2.12 0.00 0.00 175.29 173.61 1hoc s LYS 3 N 0.72 3.43 0.00 2.91 1.02 0.55 -4.93 119.74 123.44 1hoc s LYS 3 Ca 0.08 -0.20 -0.22 0.00 0.02 0.00 0.00 55.97 55.65 1hoc s LYS 3 Cb -0.12 -3.13 -0.05 0.00 -0.52 0.00 0.00 37.83 34.00 1hoc s LYS 3 CO 0.01 0.71 0.64 0.99 -0.92 0.00 0.00 175.35 176.79 1hoc s THR 4 N -0.84 4.88 0.31 2.17 2.01 -1.26 -2.73 115.64 120.17 1hoc s THR 4 Ca 0.14 1.35 -0.29 0.00 0.31 0.00 0.00 61.69 63.20 1hoc s THR 4 Cb -0.12 -3.98 -0.10 0.00 0.01 0.00 0.00 72.50 68.31 1hoc s THR 4 CO 0.03 0.39 1.35 -2.84 -0.69 0.00 0.00 174.62 172.87 1hoc s PRO 5 N -0.07 4.32 -0.45 4.92 0.02 -1.26 -4.52 135.00 137.96 1hoc s PRO 5 Ca 0.33 2.25 -0.10 0.00 0.02 0.00 0.00 61.00 63.51 1hoc s PRO 5 Cb -0.19 -3.08 0.10 0.00 0.02 0.00 0.00 34.50 31.35 1hoc s PRO 5 CO 0.19 -0.27 0.32 -0.65 -0.33 0.00 0.00 177.00 176.25 1hoc s GLN 6 N -1.35 2.57 0.09 5.54 -1.52 0.10 -4.88 119.66 120.21 1hoc s GLN 6 Ca 0.52 -1.62 -0.20 0.00 -1.95 0.00 0.00 55.36 52.11 1hoc s GLN 6 Cb -0.41 -3.89 -0.07 0.00 -0.22 0.00 0.00 33.01 28.43 1hoc s GLN 6 CO 0.50 -1.09 0.59 0.42 -0.25 0.00 0.00 175.29 175.46 1hoc s ILE 7 N 1.41 4.70 -0.03 1.08 1.01 -1.26 -1.70 121.20 126.39 1hoc s ILE 7 Ca 0.04 1.26 -0.01 0.00 0.00 0.00 0.00 60.65 61.95 1hoc s ILE 7 Cb -0.25 -3.92 0.03 0.00 0.01 0.00 0.00 42.46 38.33 1hoc s ILE 7 CO 0.01 0.54 0.02 -1.10 0.00 0.00 0.00 174.94 174.41 1hoc s GLN 8 N -1.14 0.16 -0.16 2.79 -0.21 -0.36 -4.99 119.66 115.75 1hoc s GLN 8 Ca 0.30 0.18 -0.05 0.00 0.02 0.00 0.00 55.36 55.81 1hoc s GLN 8 Cb -0.20 -0.49 -0.03 0.00 1.00 0.00 0.00 33.01 33.29 1hoc s GLN 8 CO 0.20 -0.21 0.00 0.08 -2.12 0.00 0.00 175.29 173.24 1hoc s VAL 9 N 1.44 4.25 0.25 1.09 1.01 -1.26 0.16 120.40 127.33 1hoc s VAL 9 Ca -0.04 -0.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.49 1hoc s VAL 9 Cb -0.13 -2.87 0.06 0.00 0.00 0.00 0.00 36.38 33.44 1hoc s VAL 9 CO -0.03 0.49 0.89 -0.72 0.00 0.00 0.00 175.10 175.74 1hoc s TYR 10 N 0.23 -0.02 0.08 5.22 1.13 -0.94 -4.72 117.35 118.34 1hoc s TYR 10 Ca -0.00 -0.45 0.05 0.00 -1.41 0.00 0.00 57.07 55.26 1hoc s TYR 10 Cb -0.13 0.73 -0.04 0.00 -1.10 0.00 0.00 41.96 41.41 1hoc s TYR 10 CO 0.02 -1.14 -0.02 -1.54 -2.51 0.00 0.00 175.55 170.36 1hoc s SER 11 N -3.10 4.90 0.07 -0.18 1.04 -1.26 0.36 113.70 115.53 1hoc s SER 11 Ca 0.15 -0.19 -0.27 0.00 0.48 0.00 0.00 55.95 56.13 1hoc s SER 11 Cb -0.04 -1.14 -0.17 0.00 0.10 0.00 0.00 66.02 64.77 1hoc s SER 11 CO 0.06 0.19 1.62 -0.09 0.98 0.00 0.00 173.24 176.01 1hoc h ARG 12 N 3.64 -0.32 -6.05 4.02 2.43 -1.73 -3.43 114.38 112.95 1hoc h ARG 12 Ca -0.48 0.02 -0.67 0.00 -0.81 0.00 0.00 59.98 58.04 1hoc h ARG 12 Cb 1.17 0.07 -0.13 0.00 -0.42 0.00 0.00 29.97 30.66 1hoc h ARG 12 CO 0.58 -0.17 -0.61 -1.01 -1.51 0.00 0.00 179.97 177.24 1hoc s HIS 13 N -5.88 3.17 -0.20 2.20 3.76 -1.26 -5.05 115.29 112.03 1hoc s HIS 13 Ca -0.15 0.16 -0.37 0.00 -0.15 0.00 0.00 55.06 54.55 1hoc s HIS 13 Cb 0.04 -1.73 -0.14 0.00 1.11 0.00 0.00 32.58 31.87 1hoc s HIS 13 CO 0.64 0.49 1.84 -2.30 -0.85 0.00 0.00 174.74 174.56 1hoc n PRO 14 N 1.59 1.62 -1.18 8.40 -0.02 -1.26 -4.80 135.00 139.36 1hoc n PRO 14 Ca -0.16 0.59 -0.35 0.00 -2.02 0.00 0.00 63.50 61.56 1hoc n PRO 14 Cb 0.53 -2.38 0.09 0.00 -0.02 0.00 0.00 33.50 31.72 1hoc n PRO 14 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1hoc n PRO 15 N 6.16 0.22 -3.60 0.52 -0.04 -1.26 -5.03 135.00 131.97 1hoc n PRO 15 Ca 0.26 0.12 -0.03 0.00 -0.04 0.00 0.00 63.50 63.81 1hoc n PRO 15 Cb 0.21 -1.96 -0.05 0.00 -0.04 0.00 0.00 33.50 31.65 1hoc n PRO 15 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1hoc s GLU 16 N -3.15 0.54 0.32 0.54 2.12 -1.26 -5.10 118.70 112.70 1hoc s GLU 16 Ca 0.66 1.12 -0.28 0.00 0.36 0.00 0.00 54.97 56.83 1hoc s GLU 16 Cb -0.32 0.42 -0.13 0.00 0.26 0.00 0.00 34.13 34.37 1hoc s GLU 16 CO 0.58 -0.15 1.19 0.09 -0.54 0.00 0.00 175.26 176.43 1hoc n ASN 17 N 4.70 2.23 0.00 -1.70 3.02 -1.26 -1.86 115.26 120.39 1hoc n ASN 17 Ca -0.15 1.20 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 1hoc n ASN 17 Cb 0.54 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 1hoc n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hoc n GLY 18 N 0.98 2.38 3.72 7.41 0.00 -1.20 -4.99 105.19 113.49 1hoc n GLY 18 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1hoc n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hoc s LYS 19 N 0.00 4.54 0.49 1.61 2.20 -0.77 -4.94 119.74 122.86 1hoc s LYS 19 Ca 0.00 1.24 -0.22 0.00 -0.36 0.00 0.00 55.97 56.63 1hoc s LYS 19 Cb 0.00 -3.42 -0.09 0.00 -1.51 0.00 0.00 37.83 32.80 1hoc s LYS 19 CO 0.00 0.08 0.86 -2.30 -0.36 0.00 0.00 175.35 173.63 1hoc n PRO 20 N 3.48 1.00 -3.69 4.03 -0.02 -1.26 -4.23 135.00 134.31 1hoc n PRO 20 Ca 0.02 0.37 -0.06 0.00 -2.02 0.00 0.00 63.50 61.81 1hoc n PRO 20 Cb 0.51 -1.94 0.02 0.00 -0.02 0.00 0.00 33.50 32.07 1hoc n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1hoc n ASN 21 N 0.31 -1.97 -3.77 2.55 2.85 -0.62 -4.99 115.26 109.61 1hoc n ASN 21 Ca 0.11 -2.24 -0.17 0.00 -0.11 0.00 0.00 54.58 52.17 1hoc n ASN 21 Cb 0.42 3.25 -0.17 0.00 1.24 0.00 0.00 39.78 44.53 1hoc n ASN 21 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1hoc s ILE 22 N -2.12 0.06 -0.21 -1.44 2.07 -1.26 0.40 121.20 118.71 1hoc s ILE 22 Ca 0.18 0.19 -0.22 0.00 -1.41 0.00 0.00 60.65 59.39 1hoc s ILE 22 Cb -0.04 -0.21 -0.02 0.00 0.13 0.00 0.00 42.46 42.33 1hoc s ILE 22 CO 0.09 0.14 0.69 -0.22 -1.91 0.00 0.00 174.94 173.73 1hoc s LEU 23 N 1.30 4.13 0.02 8.50 0.20 0.27 -1.79 118.68 131.31 1hoc s LEU 23 Ca -0.06 0.90 -0.08 0.00 0.69 0.00 0.00 54.13 55.58 1hoc s LEU 23 Cb -0.13 -2.99 -0.05 0.00 -0.43 0.00 0.00 46.19 42.59 1hoc s LEU 23 CO -0.03 -0.35 0.32 0.20 -0.29 0.00 0.00 176.35 176.21 1hoc s ASN 24 N 1.26 6.56 -0.36 3.68 0.01 0.16 -2.07 114.94 124.19 1hoc s ASN 24 Ca 0.31 0.66 -0.00 0.00 -0.71 0.00 0.00 52.86 53.12 1hoc s ASN 24 Cb -0.16 -2.13 0.13 0.00 0.41 0.00 0.00 41.25 39.51 1hoc s ASN 24 CO 0.10 0.24 0.20 0.00 -1.51 0.00 0.00 177.10 176.13 1hoc s TYR 26 N 1.08 2.84 0.02 0.00 5.04 0.12 -2.67 117.35 123.79 1hoc s TYR 26 Ca 0.17 -0.29 -0.18 0.00 -2.44 0.00 0.00 57.07 54.33 1hoc s TYR 26 Cb -0.22 -3.98 -0.06 0.00 0.35 0.00 0.00 41.96 38.05 1hoc s TYR 26 CO -0.03 -1.33 0.51 0.08 -1.34 0.00 0.00 175.55 173.43 1hoc s VAL 27 N 3.59 4.89 0.25 3.14 1.01 -0.29 -1.23 120.40 131.77 1hoc s VAL 27 Ca 0.24 1.06 -0.06 0.00 0.00 0.00 0.00 61.98 63.22 1hoc s VAL 27 Cb -0.15 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1hoc s VAL 27 CO 0.15 0.53 0.36 -0.89 0.00 0.00 0.00 175.10 175.26 1hoc s THR 28 N -0.88 0.00 -1.55 3.92 2.01 -0.69 -1.91 115.64 116.54 1hoc s THR 28 Ca 0.27 -1.65 0.00 0.00 0.31 0.00 0.00 61.69 60.62 1hoc s THR 28 Cb -0.18 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 69.94 1hoc s THR 28 CO 0.16 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.09 1hoc n GLN 29 N -0.39 -1.44 -2.81 4.92 3.00 -1.06 0.02 117.38 119.61 1hoc n GLN 29 Ca 0.00 0.86 -0.20 0.00 -0.01 0.00 0.00 57.00 57.65 1hoc n GLN 29 Cb 0.63 -5.19 0.05 0.00 0.00 0.00 0.00 30.24 25.73 1hoc n GLN 29 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1hoc s PHE 30 N -2.35 2.16 -0.30 1.08 -0.71 -1.24 -4.00 117.98 112.63 1hoc s PHE 30 Ca 0.00 -0.35 -0.18 0.00 -1.04 0.00 0.00 56.93 55.36 1hoc s PHE 30 Cb 0.00 -2.58 0.21 0.00 -1.21 0.00 0.00 43.02 39.44 1hoc s PHE 30 CO 0.00 -1.04 1.31 -1.58 -1.34 0.00 0.00 175.22 172.57 1hoc s HIS 31 N -2.73 -0.05 0.96 3.49 2.46 -1.11 -2.49 115.29 115.82 1hoc s HIS 31 Ca 0.60 0.10 -0.16 0.00 0.47 0.00 0.00 55.06 56.07 1hoc s HIS 31 Cb -0.08 0.13 0.25 0.00 -0.13 0.00 0.00 32.58 32.75 1hoc s HIS 31 CO 0.39 -0.02 0.59 -0.35 -2.47 0.00 0.00 174.74 172.87 1hoc n PRO 32 N 2.75 -3.79 0.15 2.88 -0.04 -1.26 -0.33 135.00 135.36 1hoc n PRO 32 Ca -0.16 -0.98 0.01 0.00 -0.04 0.00 0.00 63.50 62.33 1hoc n PRO 32 Cb 0.56 -1.24 0.21 0.00 -0.04 0.00 0.00 33.50 32.99 1hoc n PRO 32 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1hoc h PRO 33 N 0.00 0.00 -6.75 0.54 0.11 -1.99 -3.46 132.00 120.45 1hoc h PRO 33 Ca -0.26 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.32 1hoc h PRO 33 Cb 0.87 0.00 0.07 0.00 0.11 0.00 0.00 31.00 32.05 1hoc h PRO 33 CO 0.16 0.55 0.84 -1.58 -0.21 0.00 0.00 178.00 177.76 1hoc s HIS 34 N -3.55 2.89 0.10 0.65 2.46 -1.26 -4.97 115.29 111.61 1hoc s HIS 34 Ca -0.01 0.84 -0.21 0.00 0.47 0.00 0.00 55.06 56.16 1hoc s HIS 34 Cb 0.12 -3.96 0.05 0.00 -0.13 0.00 0.00 32.58 28.66 1hoc s HIS 34 CO 0.74 -3.24 0.50 -1.50 -2.47 0.00 0.00 174.74 168.77 1hoc s ILE 35 N 0.16 0.03 -0.03 0.89 1.10 -1.26 -4.57 121.20 117.52 1hoc s ILE 35 Ca 0.63 -0.28 0.01 0.00 -0.51 0.00 0.00 60.65 60.50 1hoc s ILE 35 Cb -0.45 -1.04 0.01 0.00 0.15 0.00 0.00 42.46 41.13 1hoc s ILE 35 CO 0.44 -0.16 -0.05 -0.70 -2.11 0.00 0.00 174.94 172.36 1hoc s GLU 36 N -3.21 0.72 -0.03 3.50 2.12 -0.94 -4.96 118.70 115.89 1hoc s GLU 36 Ca -0.01 -0.14 0.03 0.00 0.36 0.00 0.00 54.97 55.21 1hoc s GLU 36 Cb 0.00 -0.72 0.00 0.00 0.26 0.00 0.00 34.13 33.67 1hoc s GLU 36 CO -0.08 -0.01 -0.11 0.42 -0.54 0.00 0.00 175.26 174.94 1hoc s ILE 37 N 0.57 0.95 -0.04 -3.70 1.01 -1.26 -0.02 121.20 118.71 1hoc s ILE 37 Ca -0.07 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1hoc s ILE 37 Cb -0.11 -0.83 0.02 0.00 0.01 0.00 0.00 42.46 41.55 1hoc s ILE 37 CO 0.00 0.29 -0.06 -1.10 0.00 0.00 0.00 174.94 174.07 1hoc s GLN 38 N 0.12 0.92 -0.10 2.79 -0.21 -0.33 -5.01 119.66 117.84 1hoc s GLN 38 Ca -0.03 -0.17 -0.09 0.00 0.02 0.00 0.00 55.36 55.08 1hoc s GLN 38 Cb -0.09 -0.88 -0.04 0.00 1.00 0.00 0.00 33.01 33.00 1hoc s GLN 38 CO 0.01 -0.02 0.21 -1.64 -2.12 0.00 0.00 175.29 171.72 1hoc s MET 39 N 0.70 3.64 0.04 2.91 -1.94 -1.26 0.01 119.30 123.41 1hoc s MET 39 Ca -0.10 0.00 -0.01 0.00 -1.71 0.00 0.00 55.69 53.87 1hoc s MET 39 Cb -0.13 -3.22 -0.03 0.00 2.01 0.00 0.00 34.83 33.45 1hoc s MET 39 CO 0.01 0.70 -0.01 -0.51 -0.01 0.00 0.00 175.02 175.19 1hoc s LEU 40 N -0.87 2.34 -0.15 -0.03 1.43 0.32 -1.78 118.68 119.94 1hoc s LEU 40 Ca 0.17 -0.84 -0.05 0.00 -1.03 0.00 0.00 54.13 52.38 1hoc s LEU 40 Cb -0.13 0.24 0.07 0.00 0.03 0.00 0.00 46.19 46.40 1hoc s LEU 40 CO 0.06 -0.53 0.30 -1.59 0.23 0.00 0.00 176.35 174.82 1hoc s LYS 41 N -3.25 0.19 -1.49 1.70 0.00 0.82 -0.24 119.74 117.46 1hoc s LYS 41 Ca 0.01 0.82 -0.02 0.00 0.00 0.00 0.00 55.97 56.77 1hoc s LYS 41 Cb 0.03 0.05 0.00 0.00 0.00 0.00 0.00 37.83 37.92 1hoc s LYS 41 CO -0.08 -0.27 0.32 0.09 0.00 0.00 0.00 175.35 175.41 1hoc n ASN 42 N 5.34 -5.59 0.00 0.03 3.02 0.59 -2.21 115.26 116.43 1hoc n ASN 42 Ca -0.07 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1hoc n ASN 42 Cb 0.50 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.15 1hoc n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hoc n GLY 43 N -1.27 0.74 3.69 7.41 0.00 -1.26 -5.02 105.19 109.48 1hoc n GLY 43 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1hoc n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hoc s LYS 44 N -0.19 2.83 -0.12 1.61 1.02 -0.94 -5.10 119.74 118.85 1hoc s LYS 44 Ca 0.00 -0.58 -0.29 0.00 0.02 0.00 0.00 55.97 55.12 1hoc s LYS 44 Cb 0.00 -2.70 -0.05 0.00 -0.52 0.00 0.00 37.83 34.57 1hoc s LYS 44 CO 0.00 0.64 1.67 0.21 -0.92 0.00 0.00 175.35 176.95 1hoc s LYS 45 N -1.49 4.00 -0.01 1.68 2.20 -1.26 -0.13 119.74 124.73 1hoc s LYS 45 Ca 0.19 2.00 -0.30 0.00 -0.36 0.00 0.00 55.97 57.51 1hoc s LYS 45 Cb -0.12 -4.02 -0.08 0.00 -1.51 0.00 0.00 37.83 32.11 1hoc s LYS 45 CO 0.09 -1.06 1.89 0.42 -0.36 0.00 0.00 175.35 176.33 1hoc s ILE 46 N 4.66 3.18 0.11 5.43 1.01 -0.73 -4.91 121.20 129.94 1hoc s ILE 46 Ca 0.74 0.22 -0.20 0.00 0.00 0.00 0.00 60.65 61.42 1hoc s ILE 46 Cb -0.30 -3.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 1hoc s ILE 46 CO 0.30 -0.03 1.70 1.55 0.00 0.00 0.00 174.94 178.46 1hoc h PRO 47 N 10.61 0.30 -4.66 2.79 0.13 -1.94 -3.41 132.00 135.82 1hoc h PRO 47 Ca -0.46 -0.04 -0.69 0.00 -0.87 0.00 0.00 66.00 63.94 1hoc h PRO 47 Cb 1.22 -0.06 -0.22 0.00 0.13 0.00 0.00 31.00 32.07 1hoc h PRO 47 CO 0.95 0.28 -0.51 0.21 -0.23 0.00 0.00 178.00 178.71 1hoc s LYS 48 N -5.85 3.17 0.02 0.86 2.47 -1.26 -5.08 119.74 114.07 1hoc s LYS 48 Ca -0.13 -0.85 0.05 0.00 -1.56 0.00 0.00 55.97 53.47 1hoc s LYS 48 Cb 0.08 -3.74 -0.02 0.00 -1.46 0.00 0.00 37.83 32.69 1hoc s LYS 48 CO 0.70 -0.56 -0.16 0.08 0.16 0.00 0.00 175.35 175.58 1hoc s VAL 49 N 1.63 1.24 -0.28 4.02 1.01 -1.26 -4.77 120.40 121.98 1hoc s VAL 49 Ca 0.04 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1hoc s VAL 49 Cb -0.18 -1.08 0.08 0.00 0.00 0.00 0.00 36.38 35.20 1hoc s VAL 49 CO 0.08 0.16 -0.02 -1.61 0.00 0.00 0.00 175.10 173.71 1hoc s GLU 50 N -0.86 1.61 0.28 2.72 0.41 -0.83 -4.97 118.70 117.06 1hoc s GLU 50 Ca 0.04 -1.35 -0.22 0.00 -0.41 0.00 0.00 54.97 53.03 1hoc s GLU 50 Cb -0.07 -2.77 -0.09 0.00 -1.78 0.00 0.00 34.13 29.41 1hoc s GLU 50 CO 0.01 -0.74 0.83 -1.64 -0.49 0.00 0.00 175.26 173.22 1hoc s MET 51 N 1.20 4.37 0.00 1.61 -1.94 -1.26 -2.87 119.30 120.41 1hoc s MET 51 Ca 0.01 1.06 0.00 0.00 -1.71 0.00 0.00 55.69 55.05 1hoc s MET 51 Cb -0.19 -2.77 0.00 0.00 2.01 0.00 0.00 34.83 33.88 1hoc s MET 51 CO -0.09 0.30 0.00 -1.13 -0.01 0.00 0.00 175.02 174.10 1hoc n SER 52 N 0.50 0.00 -2.85 3.03 3.41 -0.33 -5.01 113.62 112.37 1hoc n SER 52 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1hoc n SER 52 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1hoc n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1hoc n ASP 53 N 0.00 -0.35 -2.70 4.04 8.00 -1.26 -4.94 116.55 119.34 1hoc n ASP 53 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 1hoc n ASP 53 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.19 1hoc n ASP 53 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1hoc n MET 54 N -0.35 0.86 -3.22 -1.24 0.00 -1.26 -4.91 117.12 107.00 1hoc n MET 54 Ca 0.00 -1.57 -0.21 0.00 -0.00 0.00 0.00 57.70 55.92 1hoc n MET 54 Cb 0.00 -0.41 0.05 0.00 0.00 0.00 0.00 33.22 32.86 1hoc n MET 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1hoc s SER 55 N -0.96 4.94 0.00 6.12 0.15 -1.25 -5.03 113.70 117.67 1hoc s SER 55 Ca 0.19 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1hoc s SER 55 Cb 0.30 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 1hoc s SER 55 CO -0.08 -1.36 0.00 2.22 1.20 0.00 0.00 173.24 175.22 1hoc n PHE 56 N -2.19 -0.42 -4.18 3.44 1.16 -1.26 -2.55 117.46 111.47 1hoc n PHE 56 Ca 0.13 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.57 1hoc n PHE 56 Cb 0.62 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.44 1hoc n PHE 56 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 1hoc n SER 57 N -2.04 -0.59 -0.38 5.98 3.41 -0.99 -4.95 113.62 114.06 1hoc n SER 57 Ca 0.00 -2.61 0.30 0.00 -0.26 0.00 0.00 58.87 56.30 1hoc n SER 57 Cb 0.00 1.33 0.58 0.00 -0.26 0.00 0.00 64.21 65.86 1hoc n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1hoc h LYS 58 N 0.00 0.23 -0.37 4.33 1.79 -2.03 0.48 116.57 121.00 1hoc h LYS 58 Ca -0.18 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 1hoc h LYS 58 Cb 0.89 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1hoc h LYS 58 CO 0.26 0.15 0.00 -0.40 -1.08 0.00 0.00 179.45 178.38 1hoc n ASP 59 N -4.66 2.01 0.00 0.86 5.75 -1.26 -4.91 116.55 114.35 1hoc n ASP 59 Ca 0.31 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 53.11 1hoc n ASP 59 Cb 1.15 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 1hoc n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1hoc n TRP 60 N 0.60 0.00 -3.03 2.11 7.02 0.17 -5.01 117.44 119.30 1hoc n TRP 60 Ca 0.13 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.25 1hoc n TRP 60 Cb 0.32 -0.92 -0.06 0.00 -2.42 0.00 0.00 31.31 28.23 1hoc n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1hoc s SER 61 N -2.09 7.08 0.84 -0.99 1.04 -1.26 -4.70 113.70 113.61 1hoc s SER 61 Ca 0.00 1.50 -0.13 0.00 0.48 0.00 0.00 55.95 57.80 1hoc s SER 61 Cb 0.00 -2.45 0.11 0.00 0.10 0.00 0.00 66.02 63.77 1hoc s SER 61 CO 0.00 -0.03 1.21 -0.36 0.98 0.00 0.00 173.24 175.03 1hoc s PHE 62 N -1.63 2.64 0.08 5.02 0.08 -1.04 -2.34 117.98 120.80 1hoc s PHE 62 Ca 0.47 0.64 -0.24 0.00 0.12 0.00 0.00 56.93 57.92 1hoc s PHE 62 Cb -0.16 -3.63 0.06 0.00 -0.57 0.00 0.00 43.02 38.73 1hoc s PHE 62 CO 0.21 -1.96 0.57 1.52 -0.10 0.00 0.00 175.22 175.46 1hoc s TYR 63 N -3.64 -0.50 -0.23 0.36 -0.85 -1.06 -2.57 117.35 108.87 1hoc s TYR 63 Ca 0.65 0.48 -0.23 0.00 -0.52 0.00 0.00 57.07 57.45 1hoc s TYR 63 Cb -0.09 0.44 0.06 0.00 0.38 0.00 0.00 41.96 42.75 1hoc s TYR 63 CO 0.50 -0.73 0.64 0.42 -1.52 0.00 0.00 175.55 174.86 1hoc s ILE 64 N -2.88 0.00 -0.18 -3.49 1.01 -0.80 -3.95 121.20 110.90 1hoc s ILE 64 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 1hoc s ILE 64 Cb -0.00 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.58 1hoc s ILE 64 CO -0.05 -0.00 -0.14 -0.22 0.00 0.00 0.00 174.94 174.53 1hoc s LEU 65 N 0.23 2.49 0.16 2.97 0.20 -1.26 -1.13 118.68 122.34 1hoc s LEU 65 Ca -0.01 -0.51 0.06 0.00 0.69 0.00 0.00 54.13 54.37 1hoc s LEU 65 Cb -0.04 -1.59 -0.04 0.00 -0.43 0.00 0.00 46.19 44.09 1hoc s LEU 65 CO 0.01 0.03 0.04 0.00 -0.29 0.00 0.00 176.35 176.14 1hoc s ALA 66 N 1.17 3.32 0.05 5.97 0.00 -1.09 -1.18 121.76 129.99 1hoc s ALA 66 Ca 0.02 -1.30 -0.22 0.00 0.00 0.00 0.00 51.96 50.45 1hoc s ALA 66 Cb -0.14 -1.12 0.05 0.00 0.00 0.00 0.00 23.12 21.91 1hoc s ALA 66 CO -0.05 0.51 0.52 -3.38 0.00 0.00 0.00 175.76 173.35 1hoc s HIS 67 N -1.70 -0.42 -0.04 0.00 -3.43 -1.14 -1.30 115.29 107.27 1hoc s HIS 67 Ca 0.28 0.46 -0.19 0.00 -0.80 0.00 0.00 55.06 54.80 1hoc s HIS 67 Cb -0.10 0.34 0.04 0.00 -1.43 0.00 0.00 32.58 31.43 1hoc s HIS 67 CO 0.20 -0.64 0.43 -0.08 -2.00 0.00 0.00 174.74 172.64 1hoc s THR 68 N -2.47 0.04 0.29 -5.38 -1.32 -0.88 -1.96 115.64 103.95 1hoc s THR 68 Ca -0.05 -0.30 -0.29 0.00 -1.21 0.00 0.00 61.69 59.84 1hoc s THR 68 Cb -0.01 -0.72 -0.10 0.00 -1.51 0.00 0.00 72.50 70.16 1hoc s THR 68 CO -0.02 -0.17 1.21 -1.61 -2.21 0.00 0.00 174.62 171.83 1hoc s GLU 69 N -1.15 4.49 -0.07 7.08 0.41 -1.26 0.96 118.70 129.15 1hoc s GLU 69 Ca -0.12 2.01 -0.25 0.00 -0.41 0.00 0.00 54.97 56.20 1hoc s GLU 69 Cb -0.04 -3.14 0.06 0.00 -1.78 0.00 0.00 34.13 29.23 1hoc s GLU 69 CO 0.06 -0.01 0.57 -0.59 -0.49 0.00 0.00 175.26 174.80 1hoc s PHE 70 N -1.00 -0.54 -0.47 1.61 -0.71 0.16 -4.81 117.98 112.22 1hoc s PHE 70 Ca 0.48 1.01 -0.11 0.00 -1.04 0.00 0.00 56.93 57.27 1hoc s PHE 70 Cb -0.36 0.30 0.10 0.00 -1.21 0.00 0.00 43.02 41.85 1hoc s PHE 70 CO 0.46 -0.50 0.35 0.99 -1.34 0.00 0.00 175.22 175.18 1hoc s THR 71 N -0.94 4.51 0.63 -4.49 2.01 -1.26 -1.59 115.64 114.51 1hoc s THR 71 Ca -0.10 -1.53 -0.18 0.00 0.31 0.00 0.00 61.69 60.20 1hoc s THR 71 Cb -0.02 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1hoc s THR 71 CO 0.07 -0.68 0.92 -0.81 -0.69 0.00 0.00 174.62 173.43 1hoc n PRO 72 N 5.00 0.76 -3.86 4.92 -0.04 -1.26 -4.85 135.00 135.68 1hoc n PRO 72 Ca -0.10 0.31 -0.08 0.00 -0.04 0.00 0.00 63.50 63.58 1hoc n PRO 72 Cb 0.42 -2.14 -0.03 0.00 -0.04 0.00 0.00 33.50 31.70 1hoc n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1hoc s THR 73 N -1.59 0.00 -1.42 0.52 -4.23 -1.26 -3.27 115.64 104.39 1hoc s THR 73 Ca 0.75 -1.03 0.25 0.00 -1.18 0.00 0.00 61.69 60.49 1hoc s THR 73 Cb -0.40 -1.94 0.08 0.00 1.34 0.00 0.00 72.50 71.58 1hoc s THR 73 CO 0.48 -0.02 1.37 -0.62 -0.54 0.00 0.00 174.62 175.28 1hoc n GLU 74 N -0.41 0.47 0.01 3.99 1.02 -1.26 -4.34 120.64 120.11 1hoc n GLU 74 Ca -0.05 -0.31 0.11 0.00 -0.02 0.00 0.00 57.16 56.89 1hoc n GLU 74 Cb 0.61 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.60 1hoc n GLU 74 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1hoc n THR 75 N -0.99 0.06 -4.24 2.62 -1.04 -1.26 -5.00 114.28 104.42 1hoc n THR 75 Ca 0.08 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1hoc n THR 75 Cb 0.36 0.45 -0.10 0.00 -1.82 0.00 0.00 70.33 69.22 1hoc n THR 75 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1hoc s ASP 76 N -3.31 1.32 -0.16 8.00 1.01 -1.26 -5.07 116.67 117.19 1hoc s ASP 76 Ca 0.08 -1.14 -0.04 0.00 0.71 0.00 0.00 52.55 52.16 1hoc s ASP 76 Cb 0.16 0.09 -0.03 0.00 1.01 0.00 0.00 42.92 44.15 1hoc s ASP 76 CO 0.78 -0.52 -0.03 0.42 0.21 0.00 0.00 175.17 176.03 1hoc s THR 77 N -3.60 3.90 -0.09 -1.27 -4.23 -1.26 -4.90 115.64 104.20 1hoc s THR 77 Ca 0.22 -0.35 0.01 0.00 -1.18 0.00 0.00 61.69 60.39 1hoc s THR 77 Cb 0.06 -2.72 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 1hoc s THR 77 CO 0.03 0.48 -0.10 -0.31 -0.54 0.00 0.00 174.62 174.18 1hoc s TYR 78 N 0.46 2.85 0.15 3.99 2.02 -1.26 -0.30 117.35 125.26 1hoc s TYR 78 Ca -0.03 -0.24 -0.08 0.00 -0.37 0.00 0.00 57.07 56.35 1hoc s TYR 78 Cb -0.14 -1.76 -0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1hoc s TYR 78 CO 0.03 0.10 0.24 0.00 -1.57 0.00 0.00 175.55 174.35 1hoc s ALA 79 N -0.32 0.09 -0.20 3.71 0.00 0.66 -0.59 121.76 125.11 1hoc s ALA 79 Ca 0.04 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 1hoc s ALA 79 Cb -0.13 0.82 0.05 0.00 0.00 0.00 0.00 23.12 23.86 1hoc s ALA 79 CO 0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 175.76 175.13 1hoc s ARG 81 N 1.56 3.11 0.19 0.00 6.06 0.10 -1.37 118.95 128.60 1hoc s ARG 81 Ca -0.02 -0.96 -0.06 0.00 -2.50 0.00 0.00 55.73 52.19 1hoc s ARG 81 Cb -0.17 -4.12 -0.06 0.00 0.06 0.00 0.00 34.95 30.66 1hoc s ARG 81 CO -0.07 -1.27 0.45 0.08 -2.50 0.00 0.00 175.30 171.98 1hoc s VAL 82 N 2.64 5.08 -0.36 7.11 1.01 -0.62 -1.19 120.40 134.07 1hoc s VAL 82 Ca 0.14 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.30 1hoc s VAL 82 Cb -0.20 -3.64 0.17 0.00 0.00 0.00 0.00 36.38 32.71 1hoc s VAL 82 CO 0.11 -0.05 0.47 -0.75 0.00 0.00 0.00 175.10 174.88 1hoc s LYS 83 N -2.85 0.64 0.37 2.72 2.47 0.97 -2.01 119.74 122.04 1hoc s LYS 83 Ca 0.43 -0.38 0.06 0.00 -1.56 0.00 0.00 55.97 54.52 1hoc s LYS 83 Cb -0.12 -0.33 -0.00 0.00 -1.46 0.00 0.00 37.83 35.92 1hoc s LYS 83 CO 0.25 -1.15 0.52 -1.58 0.16 0.00 0.00 175.35 173.55 1hoc s HIS 84 N 1.89 3.09 -0.53 4.03 5.65 -1.26 -2.21 115.29 125.94 1hoc s HIS 84 Ca 0.15 -0.16 0.26 0.00 0.25 0.00 0.00 55.06 55.55 1hoc s HIS 84 Cb -0.11 -2.11 0.85 0.00 -1.18 0.00 0.00 32.58 30.03 1hoc s HIS 84 CO -0.12 -0.14 1.76 -0.44 -0.65 0.00 0.00 174.74 175.15 1hoc h ASP 85 N 0.76 0.00 0.00 9.88 3.32 -1.94 -3.29 116.42 125.15 1hoc h ASP 85 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1hoc h ASP 85 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1hoc h ASP 85 CO 0.52 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.50 1hoc n SER 86 N -2.46 1.21 -3.64 6.45 3.41 -1.26 -4.69 113.62 112.63 1hoc n SER 86 Ca 0.04 -1.70 -0.08 0.00 -0.26 0.00 0.00 58.87 56.87 1hoc n SER 86 Cb 0.37 -0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 63.83 1hoc n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hoc s MET 87 N -0.76 0.71 0.47 4.33 0.23 -1.24 -4.86 119.30 118.18 1hoc s MET 87 Ca 0.00 1.18 0.13 0.00 -1.03 0.00 0.00 55.69 55.97 1hoc s MET 87 Cb 0.00 0.17 1.11 0.00 -1.53 0.00 0.00 34.83 34.58 1hoc s MET 87 CO 0.00 -0.14 2.09 0.00 -2.03 0.00 0.00 175.02 174.94 1hoc h ALA 88 N 6.74 1.94 -3.38 3.16 0.00 -1.89 -3.44 119.26 122.40 1hoc h ALA 88 Ca -0.30 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.33 1hoc h ALA 88 Cb 1.22 -0.06 -0.24 0.00 0.00 0.00 0.00 17.79 18.71 1hoc h ALA 88 CO 0.15 0.03 -0.73 -2.00 0.00 0.00 0.00 179.25 176.70 1hoc s GLU 89 N -5.25 0.41 0.90 0.00 2.56 -1.26 -5.14 118.70 110.93 1hoc s GLU 89 Ca -0.06 -0.51 -0.11 0.00 0.00 0.00 0.00 54.97 54.29 1hoc s GLU 89 Cb 0.18 -0.22 0.14 0.00 2.00 0.00 0.00 34.13 36.22 1hoc s GLU 89 CO 0.70 0.04 1.16 -2.14 -0.56 0.00 0.00 175.26 174.47 1hoc s PRO 90 N -1.04 1.10 0.18 4.30 0.02 -1.26 -5.00 135.00 133.30 1hoc s PRO 90 Ca -0.07 1.59 0.07 0.00 0.02 0.00 0.00 61.00 62.61 1hoc s PRO 90 Cb -0.07 -1.73 -0.04 0.00 0.02 0.00 0.00 34.50 32.68 1hoc s PRO 90 CO -0.00 -2.58 0.02 0.21 -0.33 0.00 0.00 177.00 174.32 1hoc s LYS 91 N -4.56 2.47 -0.21 5.54 2.20 -0.85 -4.99 119.74 119.35 1hoc s LYS 91 Ca 0.68 -1.09 -0.04 0.00 -0.36 0.00 0.00 55.97 55.16 1hoc s LYS 91 Cb -0.24 -2.39 0.10 0.00 -1.51 0.00 0.00 37.83 33.80 1hoc s LYS 91 CO 0.57 0.45 0.28 0.99 -0.36 0.00 0.00 175.35 177.28 1hoc s THR 92 N -1.77 -0.44 0.03 3.43 2.01 -1.26 -1.59 115.64 116.05 1hoc s THR 92 Ca 0.28 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.22 1hoc s THR 92 Cb -0.09 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1hoc s THR 92 CO 0.19 -0.14 0.19 0.68 -0.69 0.00 0.00 174.62 174.85 1hoc s VAL 93 N 2.42 5.35 -0.13 3.82 -7.23 -0.47 -4.91 120.40 119.25 1hoc s VAL 93 Ca 0.08 -0.31 -0.06 0.00 -1.81 0.00 0.00 61.98 59.88 1hoc s VAL 93 Cb -0.15 -3.55 -0.04 0.00 0.56 0.00 0.00 36.38 33.20 1hoc s VAL 93 CO -0.13 0.23 0.11 -0.31 -0.31 0.00 0.00 175.10 174.68 1hoc s TYR 94 N -1.41 3.46 0.21 2.82 1.51 -1.26 -0.82 117.35 121.87 1hoc s TYR 94 Ca 0.31 0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 56.47 1hoc s TYR 94 Cb -0.13 -1.95 -0.09 0.00 -0.11 0.00 0.00 41.96 39.69 1hoc s TYR 94 CO 0.23 0.59 1.23 -0.46 -1.11 0.00 0.00 175.55 176.03 1hoc s TRP 95 N -0.73 3.35 -0.13 2.71 -0.00 0.24 -4.90 118.94 119.48 1hoc s TRP 95 Ca 0.13 1.38 -0.03 0.00 -0.00 0.00 0.00 56.10 57.59 1hoc s TRP 95 Cb -0.12 -3.50 0.05 0.00 -0.00 0.00 0.00 33.47 29.90 1hoc s TRP 95 CO 0.03 -1.42 0.04 0.34 -0.00 0.00 0.00 176.95 175.93 1hoc s ASP 96 N 0.04 2.12 0.40 5.86 -1.08 -1.26 -4.77 116.67 117.97 1hoc s ASP 96 Ca 0.53 -0.41 0.28 0.00 -0.52 0.00 0.00 52.55 52.42 1hoc s ASP 96 Cb -0.34 -0.41 1.42 0.00 -1.46 0.00 0.00 42.92 42.12 1hoc s ASP 96 CO 0.39 -0.27 1.85 0.08 0.52 0.00 0.00 175.17 177.74 1hoc h ARG 97 N 8.33 0.00 -0.00 4.34 0.11 -1.97 -2.34 114.38 122.86 1hoc h ARG 97 Ca -0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.91 1hoc h ARG 97 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1hoc h ARG 97 CO 0.28 0.00 -0.09 -0.25 0.10 0.00 0.00 179.97 180.00 1hoc n ASP 98 N -2.49 0.23 0.00 0.08 8.00 -1.26 -4.89 116.55 116.22 1hoc n ASP 98 Ca -0.01 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1hoc n ASP 98 Cb 0.10 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1hoc n ASP 98 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96