#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mha s GLN 2 N 0.00 2.94 -0.06 6.28 1.11 -1.26 -4.62 119.66 124.05 2mha s GLN 2 Ca 0.00 -0.87 -0.14 0.00 0.01 0.00 0.00 55.36 54.36 2mha s GLN 2 Cb 0.00 -2.65 -0.05 0.00 -1.01 0.00 0.00 33.01 29.30 2mha s GLN 2 CO 0.00 -0.25 0.37 0.15 0.01 0.00 0.00 175.29 175.57 2mha s LYS 3 N 1.29 4.02 -0.22 2.91 1.02 -1.16 -4.94 119.74 122.67 2mha s LYS 3 Ca 0.04 0.30 -0.15 0.00 0.02 0.00 0.00 55.97 56.18 2mha s LYS 3 Cb -0.14 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2mha s LYS 3 CO -0.11 0.51 0.37 0.99 -0.92 0.00 0.00 175.35 176.19 2mha s THR 4 N -0.45 5.21 0.64 2.17 2.01 -1.26 -2.98 115.64 120.97 2mha s THR 4 Ca 0.22 0.63 -0.17 0.00 0.31 0.00 0.00 61.69 62.68 2mha s THR 4 Cb -0.15 -3.70 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 2mha s THR 4 CO 0.10 0.24 0.64 -2.65 -0.69 0.00 0.00 174.62 172.26 2mha n PRO 5 N 4.62 0.51 -3.67 4.92 -0.02 -1.26 -4.77 135.00 135.33 2mha n PRO 5 Ca -0.09 0.21 -0.30 0.00 -2.02 0.00 0.00 63.50 61.30 2mha n PRO 5 Cb 0.51 -1.87 -0.15 0.00 -0.02 0.00 0.00 33.50 31.98 2mha n PRO 5 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2mha s GLN 6 N -2.53 0.67 1.11 -0.52 -0.21 -0.93 -4.97 119.66 112.28 2mha s GLN 6 Ca 0.69 -1.11 -0.14 0.00 0.02 0.00 0.00 55.36 54.82 2mha s GLN 6 Cb -0.40 -1.82 0.24 0.00 1.00 0.00 0.00 33.01 32.03 2mha s GLN 6 CO 0.54 -1.03 1.07 0.42 -2.12 0.00 0.00 175.29 174.16 2mha s ILE 7 N 1.50 1.90 -0.30 1.08 1.01 -1.26 -2.20 121.20 122.92 2mha s ILE 7 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.75 2mha s ILE 7 Cb -0.18 -2.36 0.19 0.00 0.01 0.00 0.00 42.46 40.12 2mha s ILE 7 CO -0.22 0.00 0.79 -1.58 0.00 0.00 0.00 174.94 173.93 2mha s GLN 8 N -4.91 0.39 -0.13 2.79 0.74 -1.14 -4.90 119.66 112.50 2mha s GLN 8 Ca 0.67 0.34 -0.11 0.00 0.05 0.00 0.00 55.36 56.31 2mha s GLN 8 Cb -0.19 0.16 -0.05 0.00 1.10 0.00 0.00 33.01 34.04 2mha s GLN 8 CO 0.59 -0.72 0.23 0.08 -0.55 0.00 0.00 175.29 174.92 2mha s VAL 9 N 2.82 5.35 -0.07 1.34 1.01 -1.26 -1.13 120.40 128.46 2mha s VAL 9 Ca 0.18 0.41 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 2mha s VAL 9 Cb -0.06 -3.54 0.11 0.00 0.00 0.00 0.00 36.38 32.90 2mha s VAL 9 CO -0.24 0.50 0.96 -0.72 0.00 0.00 0.00 175.10 175.61 2mha s TYR 10 N -0.25 -0.32 1.00 5.22 1.13 0.39 -4.85 117.35 119.67 2mha s TYR 10 Ca 0.15 0.29 -0.15 0.00 -1.41 0.00 0.00 57.07 55.95 2mha s TYR 10 Cb -0.13 0.51 0.19 0.00 -1.10 0.00 0.00 41.96 41.44 2mha s TYR 10 CO 0.04 -0.45 1.18 -1.12 -2.51 0.00 0.00 175.55 172.70 2mha s SER 11 N -2.12 2.74 -0.13 -0.18 0.01 -1.26 0.78 113.70 113.53 2mha s SER 11 Ca 0.04 0.68 -0.07 0.00 1.31 0.00 0.00 55.95 57.91 2mha s SER 11 Cb -0.01 -1.02 -0.03 0.00 0.21 0.00 0.00 66.02 65.17 2mha s SER 11 CO -0.06 -3.00 -0.10 -0.09 0.41 0.00 0.00 173.24 170.39 2mha h ARG 12 N -1.82 0.00 0.00 12.44 2.43 -1.45 -3.43 114.38 122.55 2mha h ARG 12 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2mha h ARG 12 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2mha h ARG 12 CO 0.48 0.05 0.00 0.72 -1.51 0.00 0.00 179.97 179.71 2mha n HIS 13 N -4.66 -0.25 -2.55 2.20 8.25 -1.26 -5.08 115.22 111.87 2mha n HIS 13 Ca -0.06 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.11 2mha n HIS 13 Cb 0.21 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 2mha n HIS 13 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2mha s PRO 14 N 2.39 3.62 0.07 -0.41 0.02 -1.26 -4.95 135.00 134.48 2mha s PRO 14 Ca 0.00 0.38 -0.30 0.00 0.02 0.00 0.00 61.00 61.10 2mha s PRO 14 Cb 0.00 -2.32 -0.05 0.00 0.02 0.00 0.00 34.50 32.15 2mha s PRO 14 CO 0.00 -0.23 0.97 -2.14 -0.33 0.00 0.00 177.00 175.27 2mha s PRO 15 N -4.58 4.65 -0.08 5.54 0.02 -1.26 -4.96 135.00 134.33 2mha s PRO 15 Ca 0.50 1.44 -0.03 0.00 0.02 0.00 0.00 61.00 62.93 2mha s PRO 15 Cb -0.10 -3.41 0.05 0.00 0.02 0.00 0.00 34.50 31.06 2mha s PRO 15 CO 0.43 0.12 0.15 -1.21 -0.33 0.00 0.00 177.00 176.15 2mha s GLU 16 N 0.37 0.02 -0.24 5.54 2.02 -1.26 -5.09 118.70 120.06 2mha s GLU 16 Ca 0.49 0.54 -0.28 0.00 0.02 0.00 0.00 54.97 55.74 2mha s GLU 16 Cb -0.22 -0.31 -0.04 0.00 0.10 0.00 0.00 34.13 33.66 2mha s GLU 16 CO 0.29 -0.31 2.10 -0.80 0.02 0.00 0.00 175.26 176.56 2mha s ASN 17 N 2.28 5.60 0.00 -0.19 0.01 -1.26 -2.79 114.94 118.60 2mha s ASN 17 Ca 0.03 1.75 0.00 0.00 -0.71 0.00 0.00 52.86 53.94 2mha s ASN 17 Cb -0.12 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.02 2mha s ASN 17 CO -0.06 -1.87 0.00 0.61 -1.51 0.00 0.00 177.10 174.28 2mha n GLY 18 N 5.63 3.80 3.68 0.66 0.00 -0.88 -5.01 105.19 113.07 2mha n GLY 18 Ca 0.28 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 2mha n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2mha s LYS 19 N 0.00 4.37 -1.15 1.61 -0.14 -1.12 -4.92 119.74 118.39 2mha s LYS 19 Ca 0.00 1.18 -0.18 0.00 -1.36 0.00 0.00 55.97 55.61 2mha s LYS 19 Cb 0.00 -3.54 0.11 0.00 -1.68 0.00 0.00 37.83 32.72 2mha s LYS 19 CO 0.00 -0.28 1.48 -1.25 -0.76 0.00 0.00 175.35 174.55 2mha s PRO 20 N 1.92 3.88 1.02 -1.68 0.05 -1.26 -4.21 135.00 134.72 2mha s PRO 20 Ca 0.43 -1.98 -0.17 0.00 0.05 0.00 0.00 61.00 59.32 2mha s PRO 20 Cb -0.18 -5.24 0.23 0.00 0.05 0.00 0.00 34.50 29.36 2mha s PRO 20 CO 0.16 -2.01 1.32 -0.80 0.05 0.00 0.00 177.00 175.72 2mha s ASN 21 N 3.81 2.59 -0.18 6.66 0.01 0.71 -4.63 114.94 123.91 2mha s ASN 21 Ca 0.45 0.21 0.01 0.00 -0.71 0.00 0.00 52.86 52.83 2mha s ASN 21 Cb -0.00 -0.20 0.02 0.00 0.41 0.00 0.00 41.25 41.48 2mha s ASN 21 CO -0.01 -3.06 -0.18 -0.63 -1.51 0.00 0.00 177.10 171.71 2mha s ILE 22 N -3.84 1.95 -0.13 0.60 -1.09 -1.26 -0.58 121.20 116.86 2mha s ILE 22 Ca 0.76 -0.92 -0.19 0.00 -2.23 0.00 0.00 60.65 58.07 2mha s ILE 22 Cb -0.03 -1.80 -0.04 0.00 -1.58 0.00 0.00 42.46 39.01 2mha s ILE 22 CO 0.54 0.48 0.53 -0.22 -1.23 0.00 0.00 174.94 175.04 2mha s LEU 23 N 1.32 4.26 0.19 2.97 2.96 -0.47 -1.00 118.68 128.90 2mha s LEU 23 Ca 0.04 0.86 0.08 0.00 -0.22 0.00 0.00 54.13 54.89 2mha s LEU 23 Cb -0.13 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 2mha s LEU 23 CO -0.12 -0.06 -0.01 0.20 -1.32 0.00 0.00 176.35 175.04 2mha s ASN 24 N 0.76 4.71 0.03 3.68 0.01 0.23 -1.44 114.94 122.93 2mha s ASN 24 Ca 0.28 -0.44 0.06 0.00 -0.71 0.00 0.00 52.86 52.04 2mha s ASN 24 Cb -0.16 -0.97 -0.02 0.00 0.41 0.00 0.00 41.25 40.51 2mha s ASN 24 CO 0.11 0.08 -0.17 0.00 -1.51 0.00 0.00 177.10 175.61 2mha s TYR 26 N -0.72 -0.00 0.01 0.00 5.04 -0.29 -0.74 117.35 120.64 2mha s TYR 26 Ca 0.05 -0.52 -0.20 0.00 -2.44 0.00 0.00 57.07 53.96 2mha s TYR 26 Cb -0.08 -0.70 -0.06 0.00 0.35 0.00 0.00 41.96 41.48 2mha s TYR 26 CO 0.01 -0.82 0.59 0.14 -1.34 0.00 0.00 175.55 174.13 2mha s VAL 27 N 2.21 4.88 0.04 3.14 -7.23 -1.06 -2.87 120.40 119.51 2mha s VAL 27 Ca 0.09 1.25 0.05 0.00 -1.81 0.00 0.00 61.98 61.56 2mha s VAL 27 Cb -0.15 -3.93 -0.02 0.00 0.56 0.00 0.00 36.38 32.84 2mha s VAL 27 CO -0.32 0.43 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.86 2mha s THR 28 N -0.30 1.20 -0.27 5.32 2.01 -0.94 -3.01 115.64 119.66 2mha s THR 28 Ca 0.31 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.29 2mha s THR 28 Cb -0.18 -1.08 0.00 0.00 0.01 0.00 0.00 72.50 71.25 2mha s THR 28 CO 0.17 0.05 0.00 0.00 -0.69 0.00 0.00 174.62 174.16 2mha n GLN 29 N 1.93 -0.19 -4.02 4.92 6.02 -1.13 -2.19 117.38 122.71 2mha n GLN 29 Ca -0.18 0.47 -0.25 0.00 -0.01 0.00 0.00 57.00 57.03 2mha n GLN 29 Cb 0.54 -4.09 -0.04 0.00 1.02 0.00 0.00 30.24 27.68 2mha n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 2mha s PHE 30 N -2.11 3.31 -0.21 1.08 -0.71 -1.25 -4.21 117.98 113.89 2mha s PHE 30 Ca 0.00 0.03 -0.05 0.00 -1.04 0.00 0.00 56.93 55.86 2mha s PHE 30 Cb 0.00 -1.57 0.10 0.00 -1.21 0.00 0.00 43.02 40.34 2mha s PHE 30 CO 0.00 0.51 0.40 -1.58 -1.34 0.00 0.00 175.22 173.20 2mha s HIS 31 N -1.81 -0.79 0.21 3.49 2.46 -1.16 -2.26 115.29 115.43 2mha s HIS 31 Ca 0.33 1.26 0.06 0.00 0.47 0.00 0.00 55.06 57.18 2mha s HIS 31 Cb -0.10 0.19 -0.04 0.00 -0.13 0.00 0.00 32.58 32.50 2mha s HIS 31 CO 0.26 -0.55 0.15 -1.25 -2.47 0.00 0.00 174.74 170.88 2mha s PRO 32 N 2.58 2.86 0.06 2.88 0.04 -1.26 -2.96 135.00 139.20 2mha s PRO 32 Ca 0.03 -0.99 0.01 0.00 0.04 0.00 0.00 61.00 60.09 2mha s PRO 32 Cb -0.13 -2.57 0.06 0.00 0.04 0.00 0.00 34.50 31.90 2mha s PRO 32 CO -0.13 0.44 0.70 -0.35 0.04 0.00 0.00 177.00 177.69 2mha n PRO 33 N -0.75 0.01 -2.86 0.56 -0.04 -1.26 -4.76 135.00 125.90 2mha n PRO 33 Ca -0.08 0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 63.17 2mha n PRO 33 Cb 0.56 -1.93 -0.04 0.00 -0.04 0.00 0.00 33.50 32.05 2mha n PRO 33 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2mha s HIS 34 N -2.43 3.58 -0.12 0.54 3.76 -1.26 -5.02 115.29 114.34 2mha s HIS 34 Ca -0.00 1.46 -0.01 0.00 -0.15 0.00 0.00 55.06 56.36 2mha s HIS 34 Cb 0.00 -3.00 0.03 0.00 1.11 0.00 0.00 32.58 30.73 2mha s HIS 34 CO 0.01 -0.03 -0.05 -1.50 -0.85 0.00 0.00 174.74 172.32 2mha s ILE 35 N 1.20 0.86 -0.55 0.60 1.10 -1.26 -4.68 121.20 118.47 2mha s ILE 35 Ca 0.44 -0.26 -0.20 0.00 -0.51 0.00 0.00 60.65 60.12 2mha s ILE 35 Cb -0.19 -0.96 0.06 0.00 0.15 0.00 0.00 42.46 41.52 2mha s ILE 35 CO 0.21 0.27 0.74 -0.70 -2.11 0.00 0.00 174.94 173.35 2mha s GLU 36 N 1.77 3.15 -0.17 3.50 -6.30 0.30 -4.96 118.70 115.99 2mha s GLU 36 Ca 0.04 -0.83 -0.02 0.00 -2.50 0.00 0.00 54.97 51.66 2mha s GLU 36 Cb -0.13 -4.13 -0.01 0.00 0.00 0.00 0.00 34.13 29.86 2mha s GLU 36 CO -0.07 -1.39 -0.09 0.42 0.02 0.00 0.00 175.26 174.15 2mha s ILE 37 N 3.06 3.23 -0.02 -3.70 1.01 -1.26 -0.22 121.20 123.29 2mha s ILE 37 Ca 0.18 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.28 2mha s ILE 37 Cb -0.18 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.88 2mha s ILE 37 CO 0.12 0.48 -0.06 -1.10 0.00 0.00 0.00 174.94 174.38 2mha s GLN 38 N 0.87 0.73 -0.19 2.79 -0.21 -0.93 -5.00 119.66 117.72 2mha s GLN 38 Ca -0.02 -0.20 -0.04 0.00 0.02 0.00 0.00 55.36 55.11 2mha s GLN 38 Cb -0.15 -0.71 -0.02 0.00 1.00 0.00 0.00 33.01 33.13 2mha s GLN 38 CO 0.01 0.05 -0.02 -1.64 -2.12 0.00 0.00 175.29 171.57 2mha s MET 39 N 0.32 3.58 -0.28 2.91 -1.94 -1.26 -0.14 119.30 122.49 2mha s MET 39 Ca -0.04 -0.54 0.01 0.00 -1.71 0.00 0.00 55.69 53.41 2mha s MET 39 Cb -0.08 -3.01 0.08 0.00 2.01 0.00 0.00 34.83 33.82 2mha s MET 39 CO 0.00 0.04 0.01 -0.51 -0.01 0.00 0.00 175.02 174.55 2mha s LEU 40 N 0.90 3.08 -0.55 -0.03 1.43 0.34 -2.28 118.68 121.57 2mha s LEU 40 Ca 0.00 -1.56 -0.28 0.00 -1.03 0.00 0.00 54.13 51.26 2mha s LEU 40 Cb -0.14 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 44.88 2mha s LEU 40 CO 0.02 -0.32 1.30 -0.75 0.23 0.00 0.00 176.35 176.82 2mha s LYS 41 N 1.32 3.45 -0.68 1.70 2.20 -1.26 -3.18 119.74 123.29 2mha s LYS 41 Ca 0.03 0.41 -0.11 0.00 -0.36 0.00 0.00 55.97 55.94 2mha s LYS 41 Cb -0.18 -4.05 0.02 0.00 -1.51 0.00 0.00 37.83 32.10 2mha s LYS 41 CO -0.11 -1.76 0.64 0.09 -0.36 0.00 0.00 175.35 173.85 2mha n ASN 42 N 8.90 -5.92 0.00 1.43 4.13 0.96 -2.97 115.26 121.79 2mha n ASN 42 Ca 0.11 -0.45 0.00 0.00 1.68 0.00 0.00 54.58 55.92 2mha n ASN 42 Cb 0.49 -2.79 0.00 0.00 -1.54 0.00 0.00 39.78 35.94 2mha n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2mha n GLY 43 N -1.20 0.22 3.01 7.41 0.00 -1.26 -4.86 105.19 108.52 2mha n GLY 43 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 2mha n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2mha n LYS 44 N -1.77 2.40 0.00 1.61 5.02 -1.16 -5.05 118.16 119.22 2mha n LYS 44 Ca 0.00 -4.50 0.00 0.00 -2.02 0.00 0.00 58.31 51.79 2mha n LYS 44 Cb 0.00 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 2mha n LYS 44 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2mha n LYS 45 N 2.10 0.00 -2.52 1.97 4.81 -1.26 -4.24 118.16 119.02 2mha n LYS 45 Ca 0.22 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.24 2mha n LYS 45 Cb 0.36 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.38 2mha n LYS 45 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 2mha s ILE 46 N 0.00 4.08 -0.32 3.15 1.10 -0.97 -4.95 121.20 123.29 2mha s ILE 46 Ca 0.00 1.64 0.22 0.00 -0.51 0.00 0.00 60.65 62.00 2mha s ILE 46 Cb 0.00 -4.05 -0.16 0.00 0.15 0.00 0.00 42.46 38.41 2mha s ILE 46 CO 0.00 0.21 0.85 -0.81 -2.11 0.00 0.00 174.94 173.08 2mha n PRO 47 N 3.12 0.50 -0.49 3.50 -0.04 -1.26 -4.54 135.00 135.79 2mha n PRO 47 Ca 0.05 -0.03 -0.01 0.00 -0.04 0.00 0.00 63.50 63.48 2mha n PRO 47 Cb 0.47 -1.64 -0.01 0.00 -0.04 0.00 0.00 33.50 32.28 2mha n PRO 47 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2mha n LYS 48 N -2.26 0.97 -3.53 0.54 2.85 -1.26 -4.95 118.16 110.51 2mha n LYS 48 Ca -0.01 -0.05 -0.37 0.00 -1.05 0.00 0.00 58.31 56.84 2mha n LYS 48 Cb 0.51 -1.09 -0.08 0.00 -0.65 0.00 0.00 35.03 33.72 2mha n LYS 48 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2mha s VAL 49 N 0.21 5.29 -0.61 0.58 -7.23 -1.26 -4.82 120.40 112.56 2mha s VAL 49 Ca 0.03 0.46 -0.22 0.00 -1.81 0.00 0.00 61.98 60.44 2mha s VAL 49 Cb 0.02 -3.61 0.07 0.00 0.56 0.00 0.00 36.38 33.41 2mha s VAL 49 CO 0.00 0.32 0.87 -1.61 -0.31 0.00 0.00 175.10 174.38 2mha s GLU 50 N 1.00 3.15 0.55 4.82 8.01 -0.89 -4.92 118.70 130.43 2mha s GLU 50 Ca 0.14 -0.79 -0.21 0.00 0.01 0.00 0.00 54.97 54.11 2mha s GLU 50 Cb -0.14 -4.18 -0.05 0.00 -4.31 0.00 0.00 34.13 25.46 2mha s GLU 50 CO 0.05 -1.63 1.30 0.00 0.01 0.00 0.00 175.26 175.00 2mha s MET 51 N 3.64 3.13 0.49 1.61 0.23 -1.26 -3.69 119.30 123.46 2mha s MET 51 Ca 0.21 2.10 0.06 0.00 -1.03 0.00 0.00 55.69 57.03 2mha s MET 51 Cb -0.17 -2.18 0.00 0.00 -1.53 0.00 0.00 34.83 30.94 2mha s MET 51 CO 0.12 -1.16 0.29 -1.54 -2.03 0.00 0.00 175.02 170.70 2mha s SER 52 N -1.14 4.55 0.39 -1.18 1.04 -1.26 -5.01 113.70 111.09 2mha s SER 52 Ca 0.73 -1.21 -0.27 0.00 0.48 0.00 0.00 55.95 55.68 2mha s SER 52 Cb -0.37 0.10 -0.10 0.00 0.10 0.00 0.00 66.02 65.75 2mha s SER 52 CO 0.43 -0.88 1.39 -1.81 0.98 0.00 0.00 173.24 173.36 2mha s ASP 53 N -4.11 6.30 -0.24 7.02 1.01 -1.26 -4.71 116.67 120.68 2mha s ASP 53 Ca 0.33 2.86 -0.11 0.00 0.71 0.00 0.00 52.55 56.34 2mha s ASP 53 Cb -0.00 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 2mha s ASP 53 CO 0.20 -0.88 0.17 -0.32 0.21 0.00 0.00 175.17 174.54 2mha s MET 54 N -2.16 4.08 0.16 8.23 1.75 -1.26 -4.66 119.30 125.44 2mha s MET 54 Ca 0.55 -0.25 0.02 0.00 -1.25 0.00 0.00 55.69 54.76 2mha s MET 54 Cb -0.43 -3.53 -0.05 0.00 2.84 0.00 0.00 34.83 33.66 2mha s MET 54 CO 0.56 0.07 -0.02 -1.12 -0.65 0.00 0.00 175.02 173.86 2mha s SER 55 N 1.03 1.24 0.39 1.11 0.01 -1.24 -5.02 113.70 111.22 2mha s SER 55 Ca 0.08 -1.13 0.03 0.00 1.31 0.00 0.00 55.95 56.24 2mha s SER 55 Cb -0.13 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.23 2mha s SER 55 CO 0.04 -0.53 0.27 2.22 0.41 0.00 0.00 173.24 175.66 2mha n PHE 56 N -0.20 -0.73 -4.19 2.43 -1.74 -1.26 -2.36 117.46 109.41 2mha n PHE 56 Ca -0.08 -1.67 -0.11 0.00 -0.56 0.00 0.00 57.45 55.02 2mha n PHE 56 Cb 0.63 -0.32 -0.10 0.00 1.52 0.00 0.00 39.48 41.21 2mha n PHE 56 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 2mha s SER 57 N -3.29 0.34 0.58 5.98 1.04 0.18 -4.88 113.70 113.66 2mha s SER 57 Ca 0.21 -1.31 0.32 0.00 0.48 0.00 0.00 55.95 55.65 2mha s SER 57 Cb -0.02 0.32 1.34 0.00 0.10 0.00 0.00 66.02 67.76 2mha s SER 57 CO 0.13 -0.77 1.65 0.11 0.98 0.00 0.00 173.24 175.34 2mha h LYS 58 N 2.70 0.00 0.00 4.02 6.56 -2.02 0.80 116.57 128.63 2mha h LYS 58 Ca -0.36 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.23 2mha h LYS 58 Cb 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 2mha h LYS 58 CO 0.56 0.00 0.00 -0.40 -2.06 0.00 0.00 179.45 177.55 2mha n ASP 59 N -3.68 0.49 -0.64 0.86 5.75 -1.26 -4.89 116.55 113.18 2mha n ASP 59 Ca 0.20 0.63 0.00 0.00 -0.01 0.00 0.00 54.79 55.61 2mha n ASP 59 Cb 1.21 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 2mha n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2mha n TRP 60 N -2.05 0.00 -4.21 2.11 7.02 0.28 -5.09 117.44 115.51 2mha n TRP 60 Ca 0.02 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.37 2mha n TRP 60 Cb 0.20 -1.29 -0.10 0.00 -2.42 0.00 0.00 31.31 27.70 2mha n TRP 60 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2mha s SER 61 N -2.73 1.51 0.55 -0.99 0.01 -1.17 -4.86 113.70 106.01 2mha s SER 61 Ca 0.00 -0.96 0.07 0.00 1.31 0.00 0.00 55.95 56.37 2mha s SER 61 Cb 0.00 0.03 0.05 0.00 0.21 0.00 0.00 66.02 66.31 2mha s SER 61 CO 0.00 -0.35 0.54 -0.36 0.41 0.00 0.00 173.24 173.48 2mha s PHE 62 N -3.18 1.62 -0.28 2.43 0.40 -0.96 0.52 117.98 118.54 2mha s PHE 62 Ca 0.12 -0.77 -0.25 0.00 -0.60 0.00 0.00 56.93 55.43 2mha s PHE 62 Cb 0.02 -2.04 0.11 0.00 0.51 0.00 0.00 43.02 41.62 2mha s PHE 62 CO -0.01 -0.70 0.99 1.52 0.70 0.00 0.00 175.22 177.71 2mha s TYR 63 N -2.71 -0.52 -0.07 0.36 -0.85 -0.99 -2.83 117.35 109.74 2mha s TYR 63 Ca 0.45 1.26 -0.06 0.00 -0.52 0.00 0.00 57.07 58.20 2mha s TYR 63 Cb -0.04 0.35 0.02 0.00 0.38 0.00 0.00 41.96 42.67 2mha s TYR 63 CO 0.28 -0.25 0.17 -1.50 -1.52 0.00 0.00 175.55 172.73 2mha s ILE 64 N 0.22 -0.00 -0.97 -3.49 2.07 -1.16 -3.58 121.20 114.28 2mha s ILE 64 Ca 0.03 0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.25 2mha s ILE 64 Cb -0.05 -0.25 0.26 0.00 0.13 0.00 0.00 42.46 42.55 2mha s ILE 64 CO -0.05 0.00 1.01 -0.11 -1.91 0.00 0.00 174.94 173.88 2mha n LEU 65 N 3.08 4.95 -4.84 8.50 -0.00 -1.26 -2.58 117.00 124.84 2mha n LEU 65 Ca -0.13 -5.16 -0.31 0.00 -0.00 0.00 0.00 56.01 50.40 2mha n LEU 65 Cb 0.58 -1.19 0.02 0.00 -0.00 0.00 0.00 43.42 42.83 2mha n LEU 65 CO 0.20 1.58 0.71 0.00 -0.00 0.00 0.00 177.39 179.89 2mha s ALA 66 N -1.75 2.93 0.14 1.96 0.00 0.08 -4.38 121.76 120.74 2mha s ALA 66 Ca 0.30 0.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.08 2mha s ALA 66 Cb -0.03 -3.13 0.08 0.00 0.00 0.00 0.00 23.12 20.04 2mha s ALA 66 CO -0.06 -0.80 1.08 -3.38 0.00 0.00 0.00 175.76 172.60 2mha s HIS 67 N -2.98 0.03 -0.14 0.00 -3.43 -1.24 0.11 115.29 107.64 2mha s HIS 67 Ca 0.57 -0.36 -0.31 0.00 -0.80 0.00 0.00 55.06 54.16 2mha s HIS 67 Cb -0.12 0.67 0.13 0.00 -1.43 0.00 0.00 32.58 31.82 2mha s HIS 67 CO 0.49 -0.79 1.07 -0.08 -2.00 0.00 0.00 174.74 173.43 2mha s THR 68 N -2.32 0.00 1.14 -5.38 -1.32 -0.52 -2.08 115.64 105.15 2mha s THR 68 Ca 0.21 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.52 2mha s THR 68 Cb -0.02 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.23 2mha s THR 68 CO 0.04 0.00 1.10 -1.61 -2.21 0.00 0.00 174.62 171.93 2mha s GLU 69 N -2.01 -0.71 0.00 7.08 8.01 -1.26 -1.37 118.70 128.44 2mha s GLU 69 Ca 0.04 0.14 0.00 0.00 0.01 0.00 0.00 54.97 55.17 2mha s GLU 69 Cb -0.01 -1.64 0.00 0.00 -4.31 0.00 0.00 34.13 28.17 2mha s GLU 69 CO -0.04 -3.42 0.00 1.97 0.01 0.00 0.00 175.26 173.78 2mha n PHE 70 N -4.59 0.00 -3.40 1.61 -1.74 0.26 -4.62 117.46 104.97 2mha n PHE 70 Ca 0.10 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.75 2mha n PHE 70 Cb 0.59 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.49 2mha n PHE 70 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2mha s THR 71 N -2.00 -0.01 0.40 1.97 2.01 -1.26 -0.21 115.64 116.53 2mha s THR 71 Ca 0.00 -1.60 -0.26 0.00 0.31 0.00 0.00 61.69 60.15 2mha s THR 71 Cb 0.00 -0.96 -0.11 0.00 0.01 0.00 0.00 72.50 71.44 2mha s THR 71 CO 0.00 -0.88 1.18 -0.81 -0.69 0.00 0.00 174.62 173.42 2mha n PRO 72 N 3.91 1.74 -4.29 4.92 -0.04 -1.26 -4.66 135.00 135.32 2mha n PRO 72 Ca 0.14 0.62 -0.16 0.00 -0.04 0.00 0.00 63.50 64.07 2mha n PRO 72 Cb 0.41 -2.23 -0.10 0.00 -0.04 0.00 0.00 33.50 31.54 2mha n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2mha s THR 73 N -1.19 0.72 0.30 0.52 -4.23 -1.26 -2.08 115.64 108.41 2mha s THR 73 Ca 0.61 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.19 2mha s THR 73 Cb -0.55 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 70.94 2mha s THR 73 CO 0.58 -0.25 1.69 1.05 -0.54 0.00 0.00 174.62 177.16 2mha h GLU 74 N 2.51 0.18 0.73 3.99 9.09 -2.00 -3.28 114.58 125.80 2mha h GLU 74 Ca -0.38 -0.09 -0.04 0.00 0.05 0.00 0.00 59.36 58.90 2mha h GLU 74 Cb 1.23 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.33 2mha h GLU 74 CO 0.62 0.60 -0.35 1.15 0.05 0.00 0.00 179.01 181.09 2mha h THR 75 N 0.15 0.00 -3.39 -1.06 2.02 -2.01 -3.46 112.91 105.16 2mha h THR 75 Ca 0.01 -0.09 -0.54 0.00 0.77 0.00 0.00 66.41 66.55 2mha h THR 75 Cb 0.86 0.00 0.20 0.00 -1.74 0.00 0.00 68.15 67.47 2mha h THR 75 CO 0.07 0.00 -0.46 0.47 0.37 0.00 0.00 175.52 175.97 2mha n ASP 76 N -4.88 -1.59 -3.80 4.18 8.00 -1.24 -5.08 116.55 112.14 2mha n ASP 76 Ca -0.12 0.44 -0.14 0.00 0.71 0.00 0.00 54.79 55.67 2mha n ASP 76 Cb 0.39 -1.23 -0.15 0.00 -0.02 0.00 0.00 41.12 40.10 2mha n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2mha s THR 77 N -2.21 -0.04 -0.07 -3.53 2.01 -1.26 -4.89 115.64 105.65 2mha s THR 77 Ca 0.61 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.79 2mha s THR 77 Cb -0.26 -0.07 0.01 0.00 0.01 0.00 0.00 72.50 72.19 2mha s THR 77 CO 0.63 0.07 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.20 2mha s TYR 78 N 0.79 1.47 0.12 4.92 1.51 -1.26 -0.03 117.35 124.87 2mha s TYR 78 Ca -0.07 -0.56 0.02 0.00 -1.01 0.00 0.00 57.07 55.46 2mha s TYR 78 Cb -0.09 -1.09 -0.04 0.00 -0.11 0.00 0.00 41.96 40.62 2mha s TYR 78 CO -0.02 -0.29 -0.06 0.00 -1.11 0.00 0.00 175.55 174.06 2mha s ALA 79 N 0.73 1.10 0.04 3.71 0.00 -1.19 -2.31 121.76 123.85 2mha s ALA 79 Ca -0.13 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.46 2mha s ALA 79 Cb -0.16 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2mha s ALA 79 CO 0.03 -0.22 -0.10 0.00 0.00 0.00 0.00 175.76 175.47 2mha s ARG 81 N -1.31 0.22 -0.05 0.00 3.52 0.81 0.20 118.95 122.33 2mha s ARG 81 Ca -0.04 -0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.37 2mha s ARG 81 Cb -0.08 0.09 0.02 0.00 -1.56 0.00 0.00 34.95 33.42 2mha s ARG 81 CO 0.01 -0.04 -0.04 0.08 -0.81 0.00 0.00 175.30 174.50 2mha s VAL 82 N -0.63 0.54 -0.33 7.11 1.01 -0.20 -2.20 120.40 125.70 2mha s VAL 82 Ca -0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 2mha s VAL 82 Cb -0.04 -0.58 0.08 0.00 0.00 0.00 0.00 36.38 35.83 2mha s VAL 82 CO 0.00 0.24 0.04 -0.75 0.00 0.00 0.00 175.10 174.63 2mha s LYS 83 N 1.07 2.11 0.03 2.72 2.36 0.69 -2.00 119.74 126.72 2mha s LYS 83 Ca -0.09 -1.53 0.00 0.00 -2.55 0.00 0.00 55.97 51.81 2mha s LYS 83 Cb -0.14 -3.23 -0.02 0.00 -1.05 0.00 0.00 37.83 33.38 2mha s LYS 83 CO -0.01 -0.78 -0.04 -1.58 1.55 0.00 0.00 175.35 174.49 2mha s HIS 84 N 1.13 0.38 -1.92 4.03 2.46 -1.26 0.11 115.29 120.21 2mha s HIS 84 Ca 0.01 -0.57 0.15 0.00 0.47 0.00 0.00 55.06 55.11 2mha s HIS 84 Cb -0.20 -0.26 0.88 0.00 -0.13 0.00 0.00 32.58 32.87 2mha s HIS 84 CO -0.04 -0.18 1.33 -0.25 -2.47 0.00 0.00 174.74 173.13 2mha n ASP 85 N 1.42 0.00 -0.04 9.88 9.92 -1.26 -3.51 116.55 132.96 2mha n ASP 85 Ca -0.23 -0.40 -0.13 0.00 -0.53 0.00 0.00 54.79 53.51 2mha n ASP 85 Cb 0.56 -0.04 -0.14 0.00 -0.64 0.00 0.00 41.12 40.86 2mha n ASP 85 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2mha n SER 86 N -1.04 1.13 -4.87 -2.24 7.64 -1.26 -4.81 113.62 108.17 2mha n SER 86 Ca 0.11 0.24 -0.35 0.00 1.01 0.00 0.00 58.87 59.89 2mha n SER 86 Cb 0.06 -0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.10 2mha n SER 86 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2mha s MET 87 N -2.56 3.71 0.00 1.43 -1.94 -1.23 -5.01 119.30 113.70 2mha s MET 87 Ca -0.13 0.10 0.00 0.00 -1.71 0.00 0.00 55.69 53.96 2mha s MET 87 Cb 0.07 -3.01 0.00 0.00 2.01 0.00 0.00 34.83 33.90 2mha s MET 87 CO 0.79 0.58 0.04 0.00 -0.01 0.00 0.00 175.02 176.42 2mha n ALA 88 N 0.93 0.00 -1.57 3.03 0.00 -1.26 -4.72 120.51 116.91 2mha n ALA 88 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 2mha n ALA 88 Cb 0.52 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.01 2mha n ALA 88 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2mha s GLU 89 N -0.07 2.97 0.25 0.00 8.01 -1.26 -4.90 118.70 123.70 2mha s GLU 89 Ca 0.00 1.36 -0.30 0.00 0.01 0.00 0.00 54.97 56.04 2mha s GLU 89 Cb 0.00 -1.98 -0.10 0.00 -4.31 0.00 0.00 34.13 27.74 2mha s GLU 89 CO 0.00 -1.11 1.45 -2.14 0.01 0.00 0.00 175.26 173.47 2mha s PRO 90 N -4.04 4.26 -0.38 0.39 0.02 -1.26 -4.99 135.00 129.00 2mha s PRO 90 Ca 0.66 2.31 -0.21 0.00 0.02 0.00 0.00 61.00 63.78 2mha s PRO 90 Cb -0.20 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 31.23 2mha s PRO 90 CO 0.39 -0.43 0.68 0.15 -0.33 0.00 0.00 177.00 177.46 2mha s LYS 91 N -0.33 3.58 0.30 5.54 3.01 -0.85 -4.89 119.74 126.11 2mha s LYS 91 Ca 0.60 -0.00 -0.03 0.00 -1.01 0.00 0.00 55.97 55.53 2mha s LYS 91 Cb -0.42 -3.85 -0.05 0.00 -1.01 0.00 0.00 37.83 32.50 2mha s LYS 91 CO 0.43 -0.85 0.54 0.99 0.51 0.00 0.00 175.35 176.97 2mha s THR 92 N 2.87 5.06 -0.05 2.17 2.01 -1.26 -1.03 115.64 125.40 2mha s THR 92 Ca 0.26 -0.11 -0.00 0.00 0.31 0.00 0.00 61.69 62.14 2mha s THR 92 Cb -0.14 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.63 2mha s THR 92 CO 0.17 -0.37 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.03 2mha s VAL 93 N -2.13 0.32 -0.08 3.82 1.01 0.54 -4.93 120.40 118.95 2mha s VAL 93 Ca 0.42 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.36 2mha s VAL 93 Cb -0.10 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 2mha s VAL 93 CO 0.32 0.22 0.33 -0.72 0.00 0.00 0.00 175.10 175.25 2mha s TYR 94 N 1.55 3.61 -0.32 5.22 1.13 -1.26 -0.78 117.35 126.49 2mha s TYR 94 Ca -0.02 0.79 -0.29 0.00 -1.41 0.00 0.00 57.07 56.14 2mha s TYR 94 Cb -0.13 -2.26 0.02 0.00 -1.10 0.00 0.00 41.96 38.49 2mha s TYR 94 CO -0.03 0.51 1.07 -0.46 -2.51 0.00 0.00 175.55 174.13 2mha s TRP 95 N -0.49 3.15 -0.30 -3.49 -0.00 -0.98 -4.96 118.94 111.88 2mha s TRP 95 Ca 0.20 1.18 -0.12 0.00 -0.00 0.00 0.00 56.10 57.37 2mha s TRP 95 Cb -0.15 -3.69 -0.04 0.00 -0.00 0.00 0.00 33.47 29.60 2mha s TRP 95 CO 0.09 -0.77 0.21 0.34 -0.00 0.00 0.00 176.95 176.82 2mha s ASP 96 N 1.66 6.02 -0.20 5.86 -1.08 -1.26 -4.85 116.67 122.83 2mha s ASP 96 Ca 0.45 -0.15 0.02 0.00 -0.52 0.00 0.00 52.55 52.35 2mha s ASP 96 Cb -0.12 -2.12 0.29 0.00 -1.46 0.00 0.00 42.92 39.50 2mha s ASP 96 CO 0.15 -0.11 1.41 -2.11 0.52 0.00 0.00 175.17 175.03 2mha n ARG 97 N 5.07 1.55 -1.86 4.34 -4.01 -1.26 -2.77 116.66 117.72 2mha n ARG 97 Ca -0.14 -1.31 0.01 0.00 -1.04 0.00 0.00 57.85 55.37 2mha n ARG 97 Cb 0.51 -1.51 0.05 0.00 -3.04 0.00 0.00 32.46 28.47 2mha n ARG 97 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 2mha n ASP 98 N -0.20 1.62 0.00 2.89 8.00 -1.26 -4.88 116.55 122.72 2mha n ASP 98 Ca 0.26 -2.40 0.00 0.00 0.71 0.00 0.00 54.79 53.36 2mha n ASP 98 Cb 1.00 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 2mha n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04