#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ch1 s GLN 2 N 0.00 4.32 -0.11 6.28 -2.07 -1.26 -4.82 119.66 122.00 3ch1 s GLN 2 Ca 0.00 0.96 0.02 0.00 -1.82 0.00 0.00 55.36 54.52 3ch1 s GLN 2 Cb 0.00 -2.86 -0.01 0.00 -1.09 0.00 0.00 33.01 29.05 3ch1 s GLN 2 CO 0.00 0.37 -0.17 0.15 -1.32 0.00 0.00 175.29 174.32 3ch1 s LYS 3 N -1.99 3.13 -0.04 9.60 1.02 -0.46 -4.94 119.74 126.07 3ch1 s LYS 3 Ca 0.44 -0.76 -0.23 0.00 0.02 0.00 0.00 55.97 55.44 3ch1 s LYS 3 Cb -0.17 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.63 3ch1 s LYS 3 CO 0.21 0.26 0.70 0.95 -0.92 0.00 0.00 175.35 176.55 3ch1 s THR 4 N 0.20 4.96 0.35 2.17 -4.23 -1.26 -2.12 115.64 115.72 3ch1 s THR 4 Ca -0.11 1.45 -0.28 0.00 -1.18 0.00 0.00 61.69 61.58 3ch1 s THR 4 Cb -0.16 -4.04 -0.12 0.00 1.34 0.00 0.00 72.50 69.52 3ch1 s THR 4 CO 0.06 0.30 1.33 -0.81 -0.54 0.00 0.00 174.62 174.96 3ch1 n PRO 5 N 3.43 2.24 -3.91 3.99 -0.04 -1.26 -4.63 135.00 134.82 3ch1 n PRO 5 Ca -0.02 0.79 -0.36 0.00 -0.04 0.00 0.00 63.50 63.86 3ch1 n PRO 5 Cb 0.51 -2.40 -0.07 0.00 -0.04 0.00 0.00 33.50 31.50 3ch1 n PRO 5 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3ch1 s GLN 6 N -1.91 3.62 -0.06 0.54 -1.52 -0.14 -4.93 119.66 115.27 3ch1 s GLN 6 Ca 0.55 -0.20 0.02 0.00 -1.95 0.00 0.00 55.36 53.78 3ch1 s GLN 6 Cb -0.55 -3.21 0.01 0.00 -0.22 0.00 0.00 33.01 29.05 3ch1 s GLN 6 CO 0.62 0.61 -0.11 0.42 -0.25 0.00 0.00 175.29 176.58 3ch1 s ILE 7 N -0.54 1.05 -0.03 1.08 1.01 -1.26 -0.96 121.20 121.54 3ch1 s ILE 7 Ca 0.12 -0.44 0.05 0.00 0.00 0.00 0.00 60.65 60.38 3ch1 s ILE 7 Cb -0.12 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.38 3ch1 s ILE 7 CO 0.02 0.33 -0.18 -1.10 0.00 0.00 0.00 174.94 174.02 3ch1 s GLN 8 N 0.62 1.65 -0.12 2.79 -0.21 -0.30 -4.98 119.66 119.11 3ch1 s GLN 8 Ca -0.13 -0.63 0.03 0.00 0.02 0.00 0.00 55.36 54.65 3ch1 s GLN 8 Cb -0.15 -1.50 0.01 0.00 1.00 0.00 0.00 33.01 32.37 3ch1 s GLN 8 CO 0.03 0.31 -0.20 0.08 -2.12 0.00 0.00 175.29 173.39 3ch1 s VAL 9 N -0.16 1.87 0.07 1.09 1.01 -1.26 -0.72 120.40 122.30 3ch1 s VAL 9 Ca 0.01 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 60.84 3ch1 s VAL 9 Cb -0.10 -1.66 0.09 0.00 0.00 0.00 0.00 36.38 34.71 3ch1 s VAL 9 CO 0.01 0.51 1.05 -0.72 0.00 0.00 0.00 175.10 175.96 3ch1 s TYR 10 N 0.77 -0.14 0.12 5.22 1.13 -0.91 -4.48 117.35 119.06 3ch1 s TYR 10 Ca -0.09 -0.08 0.05 0.00 -1.41 0.00 0.00 57.07 55.54 3ch1 s TYR 10 Cb -0.16 0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 41.26 3ch1 s TYR 10 CO 0.00 -0.60 0.05 -1.54 -2.51 0.00 0.00 175.55 170.95 3ch1 s SER 11 N -2.84 5.23 0.07 -0.18 1.04 -1.26 0.26 113.70 116.01 3ch1 s SER 11 Ca 0.12 -0.16 -0.36 0.00 0.48 0.00 0.00 55.95 56.02 3ch1 s SER 11 Cb 0.00 -1.30 -0.19 0.00 0.10 0.00 0.00 66.02 64.64 3ch1 s SER 11 CO -0.01 0.13 1.58 -0.09 0.98 0.00 0.00 173.24 175.83 3ch1 h ARG 12 N 3.03 -1.09 -6.26 4.02 2.43 -1.44 -3.45 114.38 111.62 3ch1 h ARG 12 Ca -0.47 0.07 -0.45 0.00 -0.81 0.00 0.00 59.98 58.32 3ch1 h ARG 12 Cb 1.18 0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.97 3ch1 h ARG 12 CO 0.62 -0.73 -0.39 -1.01 -1.51 0.00 0.00 179.97 176.95 3ch1 s HIS 13 N -5.95 3.23 0.27 2.20 3.76 -1.26 -5.05 115.29 112.49 3ch1 s HIS 13 Ca -0.19 -0.15 -0.31 0.00 -0.15 0.00 0.00 55.06 54.27 3ch1 s HIS 13 Cb 0.03 -1.80 -0.12 0.00 1.11 0.00 0.00 32.58 31.80 3ch1 s HIS 13 CO 0.61 0.19 1.63 -2.30 -0.85 0.00 0.00 174.74 174.01 3ch1 n PRO 14 N -1.52 2.72 -2.59 8.40 -0.02 -1.26 -4.90 135.00 135.82 3ch1 n PRO 14 Ca -0.04 0.97 -0.39 0.00 -2.02 0.00 0.00 63.50 62.02 3ch1 n PRO 14 Cb 0.58 -2.77 -0.05 0.00 -0.02 0.00 0.00 33.50 31.24 3ch1 n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ch1 s PRO 15 N -0.08 4.59 -0.24 0.52 0.04 -1.26 -5.03 135.00 133.54 3ch1 s PRO 15 Ca 0.67 1.62 -0.02 0.00 0.04 0.00 0.00 61.00 63.30 3ch1 s PRO 15 Cb -0.50 -3.04 0.13 0.00 0.04 0.00 0.00 34.50 31.13 3ch1 s PRO 15 CO 0.44 0.23 0.35 -2.00 0.04 0.00 0.00 177.00 176.06 3ch1 s GLU 16 N -1.65 0.32 -0.06 4.56 2.12 -1.26 -5.12 118.70 117.61 3ch1 s GLU 16 Ca 0.47 0.37 -0.40 0.00 0.36 0.00 0.00 54.97 55.77 3ch1 s GLU 16 Cb -0.27 -0.61 -0.19 0.00 0.26 0.00 0.00 34.13 33.32 3ch1 s GLU 16 CO 0.34 -0.72 1.26 0.09 -0.54 0.00 0.00 175.26 175.70 3ch1 n ASN 17 N 5.35 0.79 0.00 -1.70 3.02 -1.26 -0.52 115.26 120.94 3ch1 n ASN 17 Ca -0.03 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.66 3ch1 n ASN 17 Cb 0.50 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 3ch1 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ch1 n GLY 18 N 2.30 0.93 3.41 7.41 0.00 0.11 -4.99 105.19 114.35 3ch1 n GLY 18 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 3ch1 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ch1 s LYS 19 N -0.08 3.55 0.33 1.61 2.36 0.32 -4.98 119.74 122.86 3ch1 s LYS 19 Ca 0.00 -0.54 -0.28 0.00 -2.55 0.00 0.00 55.97 52.60 3ch1 s LYS 19 Cb 0.00 -3.12 -0.12 0.00 -1.05 0.00 0.00 37.83 33.53 3ch1 s LYS 19 CO 0.00 -0.10 1.29 -2.30 1.55 0.00 0.00 175.35 175.78 3ch1 n PRO 20 N 4.59 2.10 -2.74 4.03 -0.02 -1.26 -4.16 135.00 137.55 3ch1 n PRO 20 Ca -0.17 0.74 -0.07 0.00 -2.02 0.00 0.00 63.50 61.98 3ch1 n PRO 20 Cb 0.51 -2.32 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 3ch1 n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3ch1 n ASN 21 N 0.86 -0.83 -4.08 2.55 2.85 0.45 -4.96 115.26 112.09 3ch1 n ASN 21 Ca 0.05 -1.95 -0.25 0.00 -0.11 0.00 0.00 54.58 52.31 3ch1 n ASN 21 Cb 0.36 1.49 -0.16 0.00 1.24 0.00 0.00 39.78 42.71 3ch1 n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3ch1 s ILE 22 N -2.61 1.28 -0.23 -1.44 1.01 -1.26 -0.74 121.20 117.21 3ch1 s ILE 22 Ca 0.14 -0.60 -0.09 0.00 0.00 0.00 0.00 60.65 60.09 3ch1 s ILE 22 Cb -0.01 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 3ch1 s ILE 22 CO 0.10 0.38 0.13 -0.22 0.00 0.00 0.00 174.94 175.33 3ch1 s LEU 23 N 0.37 3.95 -0.10 2.97 2.96 0.11 -0.98 118.68 127.96 3ch1 s LEU 23 Ca -0.10 0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.81 3ch1 s LEU 23 Cb -0.14 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 3ch1 s LEU 23 CO 0.03 0.06 0.09 0.20 -1.32 0.00 0.00 176.35 175.41 3ch1 s ASN 24 N 1.07 5.92 -0.20 3.68 0.01 0.14 -1.58 114.94 123.98 3ch1 s ASN 24 Ca 0.06 0.33 0.01 0.00 -0.71 0.00 0.00 52.86 52.55 3ch1 s ASN 24 Cb -0.14 -1.82 0.05 0.00 0.41 0.00 0.00 41.25 39.75 3ch1 s ASN 24 CO 0.04 0.39 -0.09 0.00 -1.51 0.00 0.00 177.10 175.93 3ch1 s TYR 26 N 1.41 3.20 -0.18 0.00 5.04 0.10 -0.28 117.35 126.65 3ch1 s TYR 26 Ca -0.02 -1.51 -0.01 0.00 -2.44 0.00 0.00 57.07 53.09 3ch1 s TYR 26 Cb -0.17 -2.18 -0.00 0.00 0.35 0.00 0.00 41.96 39.96 3ch1 s TYR 26 CO -0.08 -0.73 -0.11 0.08 -1.34 0.00 0.00 175.55 173.37 3ch1 s VAL 27 N 1.36 2.89 0.24 3.14 1.01 -0.10 -1.15 120.40 127.78 3ch1 s VAL 27 Ca -0.02 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3ch1 s VAL 27 Cb -0.19 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 3ch1 s VAL 27 CO 0.00 0.48 0.02 0.42 0.00 0.00 0.00 175.10 176.02 3ch1 s THR 28 N 1.10 0.96 -1.27 3.92 -4.23 -0.14 -0.14 115.64 115.84 3ch1 s THR 28 Ca 0.00 -2.02 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 3ch1 s THR 28 Cb -0.14 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.28 3ch1 s THR 28 CO -0.03 -0.26 0.20 0.00 -0.54 0.00 0.00 174.62 173.99 3ch1 n GLN 29 N -0.44 -2.32 -4.18 3.99 1.13 -0.65 -0.96 117.38 113.95 3ch1 n GLN 29 Ca -0.04 0.73 -0.26 0.00 -1.94 0.00 0.00 57.00 55.49 3ch1 n GLN 29 Cb 0.64 -5.11 -0.07 0.00 0.11 0.00 0.00 30.24 25.81 3ch1 n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3ch1 s PHE 30 N -2.89 2.91 -0.24 1.08 -0.71 -1.11 -4.19 117.98 112.83 3ch1 s PHE 30 Ca 0.10 -0.12 -0.20 0.00 -1.04 0.00 0.00 56.93 55.67 3ch1 s PHE 30 Cb -0.04 -1.39 0.07 0.00 -1.21 0.00 0.00 43.02 40.44 3ch1 s PHE 30 CO 0.12 0.53 0.63 -1.58 -1.34 0.00 0.00 175.22 173.58 3ch1 s HIS 31 N -1.80 -0.77 0.97 3.49 2.46 -0.90 -1.36 115.29 117.38 3ch1 s HIS 31 Ca 0.29 1.77 -0.12 0.00 0.47 0.00 0.00 55.06 57.47 3ch1 s HIS 31 Cb -0.09 0.33 0.17 0.00 -0.13 0.00 0.00 32.58 32.86 3ch1 s HIS 31 CO 0.20 -0.38 1.10 -1.25 -2.47 0.00 0.00 174.74 171.94 3ch1 s PRO 32 N 0.69 0.64 0.52 2.88 0.04 -1.26 -1.35 135.00 137.16 3ch1 s PRO 32 Ca -0.03 0.52 0.30 0.00 0.04 0.00 0.00 61.00 61.82 3ch1 s PRO 32 Cb -0.05 -1.76 1.42 0.00 0.04 0.00 0.00 34.50 34.15 3ch1 s PRO 32 CO -0.04 -2.59 2.03 -1.00 0.04 0.00 0.00 177.00 175.44 3ch1 h PRO 33 N -1.79 0.00 -6.52 0.56 0.13 -1.99 -3.44 132.00 118.95 3ch1 h PRO 33 Ca -0.53 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.07 3ch1 h PRO 33 Cb 1.32 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.47 3ch1 h PRO 33 CO 0.58 0.11 0.76 -1.58 -0.23 0.00 0.00 178.00 177.64 3ch1 s HIS 34 N -3.98 3.13 -0.03 1.56 5.65 -1.26 -4.99 115.29 115.37 3ch1 s HIS 34 Ca -0.02 0.88 -0.22 0.00 0.25 0.00 0.00 55.06 55.96 3ch1 s HIS 34 Cb 0.12 -3.71 0.04 0.00 -1.18 0.00 0.00 32.58 27.85 3ch1 s HIS 34 CO 0.57 -2.52 0.47 -1.50 -0.65 0.00 0.00 174.74 171.10 3ch1 s ILE 35 N 1.39 0.03 -0.21 0.89 2.07 -1.26 -4.68 121.20 119.44 3ch1 s ILE 35 Ca 0.65 -0.27 -0.01 0.00 -1.41 0.00 0.00 60.65 59.60 3ch1 s ILE 35 Cb -0.36 -0.78 0.01 0.00 0.13 0.00 0.00 42.46 41.46 3ch1 s ILE 35 CO 0.30 -0.15 -0.11 -1.61 -1.91 0.00 0.00 174.94 171.46 3ch1 s GLU 36 N -1.27 3.12 -0.13 3.50 2.02 -0.06 -5.00 118.70 120.88 3ch1 s GLU 36 Ca -0.12 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.12 3ch1 s GLU 36 Cb -0.03 -2.83 0.01 0.00 0.10 0.00 0.00 34.13 31.38 3ch1 s GLU 36 CO 0.07 -0.24 -0.22 0.42 0.02 0.00 0.00 175.26 175.31 3ch1 s ILE 37 N 1.37 2.00 -0.05 -1.63 1.01 -1.26 0.12 121.20 122.76 3ch1 s ILE 37 Ca 0.04 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 59.80 3ch1 s ILE 37 Cb -0.14 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 3ch1 s ILE 37 CO -0.07 0.54 -0.22 -1.10 0.00 0.00 0.00 174.94 174.09 3ch1 s GLN 38 N 0.76 2.19 -0.11 2.79 -0.21 0.41 -5.00 119.66 120.50 3ch1 s GLN 38 Ca -0.09 -0.79 -0.04 0.00 0.02 0.00 0.00 55.36 54.47 3ch1 s GLN 38 Cb -0.16 -1.89 -0.04 0.00 1.00 0.00 0.00 33.01 31.92 3ch1 s GLN 38 CO -0.00 0.34 0.05 -1.64 -2.12 0.00 0.00 175.29 171.92 3ch1 s MET 39 N -0.13 3.22 0.03 2.91 -1.94 -1.26 -0.02 119.30 122.11 3ch1 s MET 39 Ca -0.02 -0.32 0.08 0.00 -1.71 0.00 0.00 55.69 53.72 3ch1 s MET 39 Cb -0.12 -2.95 -0.02 0.00 2.01 0.00 0.00 34.83 33.74 3ch1 s MET 39 CO 0.03 0.69 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.97 3ch1 s LEU 40 N -0.81 2.14 -0.17 -0.03 1.43 -0.05 -0.91 118.68 120.27 3ch1 s LEU 40 Ca 0.13 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3ch1 s LEU 40 Cb -0.12 -1.16 0.02 0.00 0.03 0.00 0.00 46.19 44.96 3ch1 s LEU 40 CO 0.03 0.23 -0.20 -0.75 0.23 0.00 0.00 176.35 175.89 3ch1 s LYS 41 N -1.05 3.01 -1.72 1.70 2.20 0.57 -2.05 119.74 122.40 3ch1 s LYS 41 Ca 0.10 -0.83 -0.17 0.00 -0.36 0.00 0.00 55.97 54.71 3ch1 s LYS 41 Cb -0.09 -2.55 0.15 0.00 -1.51 0.00 0.00 37.83 33.83 3ch1 s LYS 41 CO 0.01 -0.16 0.59 0.09 -0.36 0.00 0.00 175.35 175.52 3ch1 n ASN 42 N 4.49 -2.00 0.00 1.43 3.02 -0.19 -1.06 115.26 120.95 3ch1 n ASN 42 Ca -0.21 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 3ch1 n ASN 42 Cb 0.50 -2.24 0.00 0.00 -0.61 0.00 0.00 39.78 37.43 3ch1 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ch1 n GLY 43 N -1.48 0.82 3.41 7.41 0.00 -1.26 -5.02 105.19 109.06 3ch1 n GLY 43 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3ch1 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ch1 s LYS 44 N -0.19 3.47 -0.48 1.61 3.01 -0.23 -5.02 119.74 121.91 3ch1 s LYS 44 Ca 0.00 -0.63 -0.46 0.00 -1.01 0.00 0.00 55.97 53.86 3ch1 s LYS 44 Cb 0.00 -2.73 -0.20 0.00 -1.01 0.00 0.00 37.83 33.89 3ch1 s LYS 44 CO 0.00 0.21 1.61 1.63 0.51 0.00 0.00 175.35 179.31 3ch1 n LYS 45 N 3.57 0.10 -2.73 1.68 4.76 -1.26 -0.31 118.16 123.96 3ch1 n LYS 45 Ca -0.18 0.03 -0.42 0.00 -2.87 0.00 0.00 58.31 54.88 3ch1 n LYS 45 Cb 0.53 -1.55 -0.03 0.00 -1.84 0.00 0.00 35.03 32.14 3ch1 n LYS 45 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ch1 s ILE 46 N 3.04 4.84 0.08 -0.18 1.01 -0.09 -4.84 121.20 125.07 3ch1 s ILE 46 Ca 1.04 1.98 -0.10 0.00 0.00 0.00 0.00 60.65 63.58 3ch1 s ILE 46 Cb -1.46 -4.29 -0.26 0.00 0.01 0.00 0.00 42.46 36.46 3ch1 s ILE 46 CO 0.81 0.09 1.16 1.55 0.00 0.00 0.00 174.94 178.55 3ch1 h PRO 47 N 6.96 0.49 -2.60 2.79 0.13 -1.92 -3.39 132.00 134.45 3ch1 h PRO 47 Ca -0.36 -0.65 -0.78 0.00 -0.87 0.00 0.00 66.00 63.34 3ch1 h PRO 47 Cb 1.18 0.22 -0.29 0.00 0.13 0.00 0.00 31.00 32.23 3ch1 h PRO 47 CO 0.80 1.28 0.70 1.63 -0.23 0.00 0.00 178.00 182.18 3ch1 n LYS 48 N -3.72 4.61 -3.49 0.86 5.02 -1.26 -4.99 118.16 115.19 3ch1 n LYS 48 Ca -0.11 -4.62 -0.38 0.00 -2.02 0.00 0.00 58.31 51.18 3ch1 n LYS 48 Cb 0.96 -2.46 -0.09 0.00 -0.02 0.00 0.00 35.03 33.41 3ch1 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ch1 s VAL 49 N -3.38 5.25 0.03 -0.18 1.01 -1.26 -4.80 120.40 117.07 3ch1 s VAL 49 Ca 0.35 0.42 -0.21 0.00 0.00 0.00 0.00 61.98 62.54 3ch1 s VAL 49 Cb 0.12 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 3ch1 s VAL 49 CO 0.01 0.24 0.63 -1.61 0.00 0.00 0.00 175.10 174.37 3ch1 s GLU 50 N 1.61 4.34 -0.06 2.72 2.02 -0.41 -4.92 118.70 123.98 3ch1 s GLU 50 Ca 0.12 0.82 0.05 0.00 0.02 0.00 0.00 54.97 55.98 3ch1 s GLU 50 Cb -0.15 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.76 3ch1 s GLU 50 CO 0.08 0.43 -0.23 1.41 0.02 0.00 0.00 175.26 176.98 3ch1 s MET 51 N -0.45 2.45 0.64 1.61 1.75 -1.26 -0.61 119.30 123.43 3ch1 s MET 51 Ca 0.32 -0.82 -0.14 0.00 -1.25 0.00 0.00 55.69 53.80 3ch1 s MET 51 Cb -0.19 -2.03 -0.02 0.00 2.84 0.00 0.00 34.83 35.43 3ch1 s MET 51 CO 0.19 0.30 1.07 -1.54 -0.65 0.00 0.00 175.02 174.39 3ch1 s SER 52 N 0.00 5.50 0.65 1.11 1.04 -0.55 -5.01 113.70 116.44 3ch1 s SER 52 Ca -0.07 1.82 -0.14 0.00 0.48 0.00 0.00 55.95 58.04 3ch1 s SER 52 Cb -0.14 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.44 3ch1 s SER 52 CO 0.04 -1.36 1.08 -1.81 0.98 0.00 0.00 173.24 172.17 3ch1 s ASP 53 N -2.95 5.37 -0.24 7.02 1.01 -1.26 -4.78 116.67 120.84 3ch1 s ASP 53 Ca 0.63 1.83 -0.40 0.00 0.71 0.00 0.00 52.55 55.32 3ch1 s ASP 53 Cb -0.17 -2.53 -0.16 0.00 1.01 0.00 0.00 42.92 41.08 3ch1 s ASP 53 CO 0.42 -1.45 1.71 0.80 0.21 0.00 0.00 175.17 176.87 3ch1 n MET 54 N -2.51 1.18 -3.94 8.23 1.56 -1.26 -4.95 117.12 115.42 3ch1 n MET 54 Ca 0.09 0.43 -0.10 0.00 -0.27 0.00 0.00 57.70 57.85 3ch1 n MET 54 Cb 0.53 -2.11 -0.11 0.00 2.15 0.00 0.00 33.22 33.68 3ch1 n MET 54 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 3ch1 s SER 55 N 3.28 0.16 0.13 6.12 0.01 -1.26 -5.08 113.70 117.06 3ch1 s SER 55 Ca 0.97 -0.38 0.06 0.00 1.31 0.00 0.00 55.95 57.91 3ch1 s SER 55 Cb -1.05 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.28 3ch1 s SER 55 CO 0.64 -0.32 -0.13 0.72 0.41 0.00 0.00 173.24 174.55 3ch1 s PHE 56 N -1.40 1.42 0.64 2.43 -0.12 -1.26 -2.14 117.98 117.54 3ch1 s PHE 56 Ca -0.15 -0.59 0.03 0.00 -0.05 0.00 0.00 56.93 56.17 3ch1 s PHE 56 Cb -0.09 -0.73 0.10 0.00 -0.63 0.00 0.00 43.02 41.67 3ch1 s PHE 56 CO -0.00 0.16 0.88 -1.12 -0.05 0.00 0.00 175.22 175.09 3ch1 s SER 57 N -2.66 4.77 0.00 1.98 0.01 0.37 -4.95 113.70 113.22 3ch1 s SER 57 Ca 0.12 -0.44 0.17 0.00 1.31 0.00 0.00 55.95 57.11 3ch1 s SER 57 Cb -0.03 -0.10 0.81 0.00 0.21 0.00 0.00 66.02 66.90 3ch1 s SER 57 CO 0.03 -1.55 1.52 2.29 0.41 0.00 0.00 173.24 175.95 3ch1 n LYS 58 N -2.54 0.14 -0.16 12.44 2.85 -1.26 -0.64 118.16 128.98 3ch1 n LYS 58 Ca 0.14 0.16 0.09 0.00 -1.05 0.00 0.00 58.31 57.65 3ch1 n LYS 58 Cb 0.61 -1.50 0.27 0.00 -0.65 0.00 0.00 35.03 33.76 3ch1 n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3ch1 n ASP 59 N -1.38 2.29 0.00 -5.58 5.75 -1.26 -4.94 116.55 111.43 3ch1 n ASP 59 Ca 0.06 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 3ch1 n ASP 59 Cb 0.16 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 3ch1 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3ch1 n TRP 60 N 0.73 0.00 -2.03 2.11 7.02 0.18 -5.03 117.44 120.42 3ch1 n TRP 60 Ca 0.16 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.32 3ch1 n TRP 60 Cb 0.40 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.29 3ch1 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3ch1 s SER 61 N -1.91 6.01 0.27 -0.99 1.04 -1.26 -4.62 113.70 112.23 3ch1 s SER 61 Ca 0.00 1.65 0.04 0.00 0.48 0.00 0.00 55.95 58.12 3ch1 s SER 61 Cb 0.00 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 3ch1 s SER 61 CO 0.00 -1.01 0.41 -0.36 0.98 0.00 0.00 173.24 173.25 3ch1 s PHE 62 N -2.71 3.46 0.02 5.02 0.08 -0.46 -0.48 117.98 122.91 3ch1 s PHE 62 Ca 0.60 0.07 -0.13 0.00 0.12 0.00 0.00 56.93 57.60 3ch1 s PHE 62 Cb -0.13 -1.65 0.02 0.00 -0.57 0.00 0.00 43.02 40.68 3ch1 s PHE 62 CO 0.41 0.36 0.27 1.52 -0.10 0.00 0.00 175.22 177.68 3ch1 s TYR 63 N -2.07 -0.08 -0.01 0.36 1.13 -0.91 -1.63 117.35 114.14 3ch1 s TYR 63 Ca 0.36 -0.00 -0.02 0.00 -1.41 0.00 0.00 57.07 55.99 3ch1 s TYR 63 Cb -0.09 0.06 0.00 0.00 -1.10 0.00 0.00 41.96 40.83 3ch1 s TYR 63 CO 0.31 -0.44 0.05 0.42 -2.51 0.00 0.00 175.55 173.37 3ch1 s ILE 64 N -2.13 0.03 -0.30 -3.49 -1.09 0.80 -4.04 121.20 110.98 3ch1 s ILE 64 Ca -0.08 -0.22 -0.06 0.00 -2.23 0.00 0.00 60.65 58.06 3ch1 s ILE 64 Cb -0.03 -0.15 0.02 0.00 -1.58 0.00 0.00 42.46 40.73 3ch1 s ILE 64 CO -0.01 -0.12 0.06 -0.22 -1.23 0.00 0.00 174.94 173.42 3ch1 s LEU 65 N -0.36 3.89 0.06 2.97 2.96 -1.26 -0.92 118.68 126.02 3ch1 s LEU 65 Ca -0.04 -0.88 -0.13 0.00 -0.22 0.00 0.00 54.13 52.86 3ch1 s LEU 65 Cb -0.03 -1.84 -0.06 0.00 0.50 0.00 0.00 46.19 44.76 3ch1 s LEU 65 CO 0.00 -0.22 0.44 0.00 -1.32 0.00 0.00 176.35 175.25 3ch1 s ALA 66 N 1.44 3.68 0.04 5.97 0.00 0.61 -1.48 121.76 132.02 3ch1 s ALA 66 Ca 0.01 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 3ch1 s ALA 66 Cb -0.18 -2.39 0.02 0.00 0.00 0.00 0.00 23.12 20.57 3ch1 s ALA 66 CO 0.01 0.50 0.32 -3.38 0.00 0.00 0.00 175.76 173.22 3ch1 s HIS 67 N -1.26 -0.14 -0.00 0.00 -3.43 0.22 0.29 115.29 110.98 3ch1 s HIS 67 Ca 0.30 0.03 -0.17 0.00 -0.80 0.00 0.00 55.06 54.42 3ch1 s HIS 67 Cb -0.16 0.12 0.03 0.00 -1.43 0.00 0.00 32.58 31.14 3ch1 s HIS 67 CO 0.16 -0.51 0.36 -0.08 -2.00 0.00 0.00 174.74 172.67 3ch1 s THR 68 N -2.47 0.05 0.33 -5.38 -1.32 -0.62 -1.29 115.64 104.95 3ch1 s THR 68 Ca -0.05 -0.45 -0.27 0.00 -1.21 0.00 0.00 61.69 59.70 3ch1 s THR 68 Cb -0.01 -0.73 -0.09 0.00 -1.51 0.00 0.00 72.50 70.15 3ch1 s THR 68 CO -0.03 -0.25 1.12 -1.61 -2.21 0.00 0.00 174.62 171.65 3ch1 s GLU 69 N -1.60 4.40 0.14 7.08 2.02 -1.26 0.07 118.70 129.55 3ch1 s GLU 69 Ca -0.11 1.79 -0.20 0.00 0.02 0.00 0.00 54.97 56.47 3ch1 s GLU 69 Cb -0.04 -2.95 0.05 0.00 0.10 0.00 0.00 34.13 31.30 3ch1 s GLU 69 CO 0.03 -0.00 0.51 -0.59 0.02 0.00 0.00 175.26 175.23 3ch1 s PHE 70 N -1.31 -0.39 -0.23 1.61 -0.71 0.08 -4.82 117.98 112.21 3ch1 s PHE 70 Ca 0.50 0.13 0.01 0.00 -1.04 0.00 0.00 56.93 56.54 3ch1 s PHE 70 Cb -0.30 0.43 0.06 0.00 -1.21 0.00 0.00 43.02 41.99 3ch1 s PHE 70 CO 0.39 -0.78 -0.07 0.99 -1.34 0.00 0.00 175.22 174.40 3ch1 s THR 71 N -3.77 1.64 0.47 -4.49 2.01 -1.26 0.17 115.64 110.41 3ch1 s THR 71 Ca 0.02 -1.23 -0.23 0.00 0.31 0.00 0.00 61.69 60.56 3ch1 s THR 71 Cb 0.00 -1.84 -0.07 0.00 0.01 0.00 0.00 72.50 70.60 3ch1 s THR 71 CO -0.13 -0.03 1.23 -2.16 -0.69 0.00 0.00 174.62 172.85 3ch1 s PRO 72 N 1.35 3.67 0.18 4.92 0.04 -1.26 -4.77 135.00 139.14 3ch1 s PRO 72 Ca -0.05 1.94 0.01 0.00 0.04 0.00 0.00 61.00 62.93 3ch1 s PRO 72 Cb -0.18 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 3ch1 s PRO 72 CO -0.06 -0.67 0.05 0.95 0.04 0.00 0.00 177.00 177.30 3ch1 s THR 73 N -1.44 0.41 0.44 1.26 -4.23 -1.26 0.07 115.64 110.88 3ch1 s THR 73 Ca 0.64 -1.97 0.20 0.00 -1.18 0.00 0.00 61.69 59.38 3ch1 s THR 73 Cb -0.33 -2.25 0.40 0.00 1.34 0.00 0.00 72.50 71.66 3ch1 s THR 73 CO 0.40 -0.32 1.86 -0.08 -0.54 0.00 0.00 174.62 175.94 3ch1 h GLU 74 N 2.67 0.33 0.00 3.99 4.81 -1.98 -3.28 114.58 121.12 3ch1 h GLU 74 Ca -0.36 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.82 3ch1 h GLU 74 Cb 1.22 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 3ch1 h GLU 74 CO 0.60 0.22 -1.22 0.25 -0.73 0.00 0.00 179.01 178.13 3ch1 n THR 75 N -4.48 0.08 -2.53 0.32 -2.24 -1.26 -5.00 114.28 99.17 3ch1 n THR 75 Ca 0.20 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.43 3ch1 n THR 75 Cb 0.75 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 3ch1 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3ch1 s ASP 76 N -2.79 7.16 -0.04 3.42 1.01 -1.24 -5.03 116.67 119.16 3ch1 s ASP 76 Ca -0.02 1.82 -0.10 0.00 0.71 0.00 0.00 52.55 54.97 3ch1 s ASP 76 Cb 0.02 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 3ch1 s ASP 76 CO 0.18 -0.45 0.27 0.42 0.21 0.00 0.00 175.17 175.80 3ch1 s THR 77 N 1.49 5.28 0.05 -1.27 -4.23 -1.26 -4.76 115.64 110.94 3ch1 s THR 77 Ca 0.55 0.42 0.07 0.00 -1.18 0.00 0.00 61.69 61.56 3ch1 s THR 77 Cb -0.25 -3.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.01 3ch1 s THR 77 CO 0.26 0.53 -0.20 -0.31 -0.54 0.00 0.00 174.62 174.36 3ch1 s TYR 78 N -1.12 1.72 0.22 3.99 1.51 -1.26 -1.02 117.35 121.39 3ch1 s TYR 78 Ca 0.22 -0.38 -0.12 0.00 -1.01 0.00 0.00 57.07 55.78 3ch1 s TYR 78 Cb -0.14 -1.01 -0.00 0.00 -0.11 0.00 0.00 41.96 40.70 3ch1 s TYR 78 CO 0.11 0.10 0.43 0.00 -1.11 0.00 0.00 175.55 175.07 3ch1 s ALA 79 N -0.85 -0.27 -0.08 3.71 0.00 -0.87 0.71 121.76 124.11 3ch1 s ALA 79 Ca 0.06 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.24 3ch1 s ALA 79 Cb -0.09 1.00 0.02 0.00 0.00 0.00 0.00 23.12 24.05 3ch1 s ALA 79 CO 0.02 -0.79 -0.08 0.00 0.00 0.00 0.00 175.76 174.90 3ch1 s ARG 81 N 1.26 3.51 -0.13 0.00 3.52 0.98 -1.17 118.95 126.92 3ch1 s ARG 81 Ca -0.04 -0.57 0.02 0.00 -0.13 0.00 0.00 55.73 55.01 3ch1 s ARG 81 Cb -0.14 -3.00 0.01 0.00 -1.56 0.00 0.00 34.95 30.26 3ch1 s ARG 81 CO -0.03 -0.03 -0.19 0.08 -0.81 0.00 0.00 175.30 174.33 3ch1 s VAL 82 N 1.06 1.79 -0.20 7.11 1.01 0.74 -0.45 120.40 131.47 3ch1 s VAL 82 Ca 0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 3ch1 s VAL 82 Cb -0.15 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.62 3ch1 s VAL 82 CO 0.01 0.50 -0.08 -0.75 0.00 0.00 0.00 175.10 174.77 3ch1 s LYS 83 N 0.91 3.30 -0.05 2.72 2.20 0.12 -0.75 119.74 128.18 3ch1 s LYS 83 Ca -0.07 -0.67 -0.09 0.00 -0.36 0.00 0.00 55.97 54.78 3ch1 s LYS 83 Cb -0.15 -2.89 0.02 0.00 -1.51 0.00 0.00 37.83 33.30 3ch1 s LYS 83 CO -0.02 -0.17 0.22 -1.58 -0.36 0.00 0.00 175.35 173.45 3ch1 s HIS 84 N 1.35 -0.17 0.58 4.03 2.46 -1.26 -0.88 115.29 121.40 3ch1 s HIS 84 Ca 0.04 0.36 0.28 0.00 0.47 0.00 0.00 55.06 56.22 3ch1 s HIS 84 Cb -0.14 0.05 1.53 0.00 -0.13 0.00 0.00 32.58 33.89 3ch1 s HIS 84 CO -0.05 -0.22 1.98 -0.44 -2.47 0.00 0.00 174.74 173.55 3ch1 h ASP 85 N 5.02 0.00 0.62 9.88 3.32 -1.94 -0.27 116.42 133.05 3ch1 h ASP 85 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3ch1 h ASP 85 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3ch1 h ASP 85 CO 0.38 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.36 3ch1 n SER 86 N -3.85 0.10 -4.20 6.45 3.41 -1.26 -4.73 113.62 109.53 3ch1 n SER 86 Ca 0.06 0.52 -0.28 0.00 -0.26 0.00 0.00 58.87 58.91 3ch1 n SER 86 Cb 0.54 -0.54 -0.16 0.00 -0.26 0.00 0.00 64.21 63.78 3ch1 n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3ch1 s MET 87 N -3.04 2.03 0.11 4.33 -1.94 -0.11 -4.90 119.30 115.77 3ch1 s MET 87 Ca 0.08 -0.75 -0.19 0.00 -1.71 0.00 0.00 55.69 53.12 3ch1 s MET 87 Cb 0.11 -1.79 -0.06 0.00 2.01 0.00 0.00 34.83 35.10 3ch1 s MET 87 CO 0.33 0.35 1.69 0.00 -0.01 0.00 0.00 175.02 177.37 3ch1 h ALA 88 N 6.02 0.32 -4.02 3.03 0.00 -1.85 -3.44 119.26 119.34 3ch1 h ALA 88 Ca -0.34 -0.09 -0.67 0.00 0.00 0.00 0.00 54.91 53.81 3ch1 h ALA 88 Cb 1.16 -0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.62 3ch1 h ALA 88 CO 0.47 -0.12 -0.87 -1.21 0.00 0.00 0.00 179.25 177.53 3ch1 s GLU 89 N -5.73 1.49 0.59 0.00 0.41 -1.26 -5.09 118.70 109.10 3ch1 s GLU 89 Ca -0.13 -1.23 -0.18 0.00 -0.41 0.00 0.00 54.97 53.02 3ch1 s GLU 89 Cb 0.08 -1.85 -0.07 0.00 -1.78 0.00 0.00 34.13 30.52 3ch1 s GLU 89 CO 0.71 0.45 0.67 -2.30 -0.49 0.00 0.00 175.26 174.30 3ch1 n PRO 90 N 1.25 0.62 -4.47 0.39 -0.02 -1.26 -4.92 135.00 126.59 3ch1 n PRO 90 Ca -0.18 0.24 -0.34 0.00 -2.02 0.00 0.00 63.50 61.21 3ch1 n PRO 90 Cb 0.53 -1.86 -0.13 0.00 -0.02 0.00 0.00 33.50 32.02 3ch1 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ch1 s LYS 91 N -2.33 3.56 -0.20 -0.52 2.20 0.07 -4.90 119.74 117.61 3ch1 s LYS 91 Ca 0.71 -0.58 -0.05 0.00 -0.36 0.00 0.00 55.97 55.69 3ch1 s LYS 91 Cb -0.43 -2.84 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 3ch1 s LYS 91 CO 0.52 0.19 0.01 0.99 -0.36 0.00 0.00 175.35 176.70 3ch1 s THR 92 N 0.47 4.08 -0.06 3.43 2.01 -1.26 -0.18 115.64 124.12 3ch1 s THR 92 Ca -0.05 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 61.72 3ch1 s THR 92 Cb -0.15 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 3ch1 s THR 92 CO 0.03 0.42 -0.18 0.54 -0.69 0.00 0.00 174.62 174.75 3ch1 s VAL 93 N 1.00 2.71 0.05 3.82 0.11 -0.32 -4.96 120.40 122.81 3ch1 s VAL 93 Ca 0.02 -0.84 -0.10 0.00 -2.93 0.00 0.00 61.98 58.14 3ch1 s VAL 93 Cb -0.14 -2.05 -0.05 0.00 -1.53 0.00 0.00 36.38 32.60 3ch1 s VAL 93 CO 0.02 0.57 0.37 -0.31 -3.33 0.00 0.00 175.10 172.42 3ch1 s TYR 94 N -0.36 3.60 0.12 1.54 2.02 -1.26 -0.78 117.35 122.22 3ch1 s TYR 94 Ca 0.03 0.76 -0.31 0.00 -0.37 0.00 0.00 57.07 57.18 3ch1 s TYR 94 Cb -0.12 -2.13 -0.09 0.00 -0.40 0.00 0.00 41.96 39.22 3ch1 s TYR 94 CO 0.02 0.56 1.54 -0.46 -1.57 0.00 0.00 175.55 175.64 3ch1 s TRP 95 N -1.34 2.92 -0.18 2.71 -0.00 0.22 -4.86 118.94 118.41 3ch1 s TRP 95 Ca 0.30 0.63 0.01 0.00 -0.00 0.00 0.00 56.10 57.04 3ch1 s TRP 95 Cb -0.14 -3.87 0.02 0.00 -0.00 0.00 0.00 33.47 29.48 3ch1 s TRP 95 CO 0.17 -3.26 -0.20 0.34 -0.00 0.00 0.00 176.95 174.00 3ch1 s ASP 96 N 1.52 3.16 0.16 5.86 -1.08 -1.26 -4.73 116.67 120.30 3ch1 s ASP 96 Ca 0.69 -0.64 0.21 0.00 -0.52 0.00 0.00 52.55 52.30 3ch1 s ASP 96 Cb -0.40 -1.48 0.87 0.00 -1.46 0.00 0.00 42.92 40.44 3ch1 s ASP 96 CO 0.31 0.01 1.65 -2.11 0.52 0.00 0.00 175.17 175.55 3ch1 n ARG 97 N 4.59 0.13 -0.02 4.34 1.85 -1.26 -1.92 116.66 124.37 3ch1 n ARG 97 Ca -0.21 0.32 0.13 0.00 -1.00 0.00 0.00 57.85 57.10 3ch1 n ARG 97 Cb 0.50 -1.73 0.44 0.00 -1.05 0.00 0.00 32.46 30.62 3ch1 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3ch1 n ASP 98 N -1.97 1.77 0.00 2.89 8.00 -1.26 -4.81 116.55 121.17 3ch1 n ASP 98 Ca 0.03 -1.61 0.00 0.00 0.71 0.00 0.00 54.79 53.93 3ch1 n ASP 98 Cb 0.24 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 3ch1 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04