#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vab s GLN 2 N 0.00 2.71 -0.05 0.38 0.74 -1.26 -3.44 119.66 118.74 2vab s GLN 2 Ca 0.00 -1.06 0.05 0.00 0.05 0.00 0.00 55.36 54.40 2vab s GLN 2 Cb 0.00 -2.98 -0.01 0.00 1.10 0.00 0.00 33.01 31.12 2vab s GLN 2 CO 0.00 -0.44 -0.20 0.15 -0.55 0.00 0.00 175.29 174.24 2vab s LYS 3 N 1.28 2.10 -0.03 1.67 1.02 0.66 -4.90 119.74 121.55 2vab s LYS 3 Ca -0.02 -0.73 -0.30 0.00 0.02 0.00 0.00 55.97 54.95 2vab s LYS 3 Cb -0.17 -1.80 -0.03 0.00 -0.52 0.00 0.00 37.83 35.31 2vab s LYS 3 CO -0.04 0.29 1.02 0.99 -0.92 0.00 0.00 175.35 176.68 2vab s THR 4 N -0.03 4.75 0.45 2.17 2.01 -1.26 -2.45 115.64 121.28 2vab s THR 4 Ca -0.04 1.98 -0.24 0.00 0.31 0.00 0.00 61.69 63.70 2vab s THR 4 Cb -0.13 -4.27 -0.08 0.00 0.01 0.00 0.00 72.50 68.04 2vab s THR 4 CO 0.03 0.11 1.32 -2.16 -0.69 0.00 0.00 174.62 173.22 2vab s PRO 5 N 1.34 3.69 -0.20 4.92 0.04 -1.26 -4.63 135.00 138.91 2vab s PRO 5 Ca 0.52 2.16 -0.08 0.00 0.04 0.00 0.00 61.00 63.64 2vab s PRO 5 Cb -0.21 -2.57 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 2vab s PRO 5 CO 0.25 -0.72 0.07 -0.65 0.04 0.00 0.00 177.00 175.99 2vab s GLN 6 N -2.50 3.92 -0.21 4.56 -1.52 0.21 -4.93 119.66 119.18 2vab s GLN 6 Ca 0.62 -0.37 -0.05 0.00 -1.95 0.00 0.00 55.36 53.62 2vab s GLN 6 Cb -0.38 -3.27 -0.02 0.00 -0.22 0.00 0.00 33.01 29.12 2vab s GLN 6 CO 0.48 0.15 -0.01 0.42 -0.25 0.00 0.00 175.29 176.08 2vab s ILE 7 N 0.71 3.74 -0.14 1.08 1.09 -1.26 -1.15 121.20 125.27 2vab s ILE 7 Ca 0.04 -0.38 0.02 0.00 -1.10 0.00 0.00 60.65 59.23 2vab s ILE 7 Cb -0.13 -2.70 0.01 0.00 -1.06 0.00 0.00 42.46 38.59 2vab s ILE 7 CO 0.02 0.42 -0.18 -1.10 -0.10 0.00 0.00 174.94 173.99 2vab s GLN 8 N 1.24 2.65 -0.15 2.79 -0.21 -0.38 -4.98 119.66 120.61 2vab s GLN 8 Ca 0.03 -0.71 -0.00 0.00 0.02 0.00 0.00 55.36 54.70 2vab s GLN 8 Cb -0.15 -2.23 -0.01 0.00 1.00 0.00 0.00 33.01 31.63 2vab s GLN 8 CO 0.00 -0.09 -0.13 0.08 -2.12 0.00 0.00 175.29 173.03 2vab s VAL 9 N 1.03 2.91 0.23 1.09 1.01 -1.26 -0.63 120.40 124.79 2vab s VAL 9 Ca -0.03 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 2vab s VAL 9 Cb -0.15 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.02 2vab s VAL 9 CO -0.05 0.51 0.63 -0.72 0.00 0.00 0.00 175.10 175.47 2vab s TYR 10 N 0.72 -0.18 0.26 5.22 1.13 -0.77 -4.65 117.35 119.08 2vab s TYR 10 Ca -0.06 -0.19 0.09 0.00 -1.41 0.00 0.00 57.07 55.49 2vab s TYR 10 Cb -0.15 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 2vab s TYR 10 CO 0.02 -1.07 0.07 -1.54 -2.51 0.00 0.00 175.55 170.52 2vab s SER 11 N -2.89 4.90 0.10 -0.18 1.04 -1.26 -0.19 113.70 115.22 2vab s SER 11 Ca 0.10 -0.50 -0.17 0.00 0.48 0.00 0.00 55.95 55.86 2vab s SER 11 Cb -0.03 -1.05 -0.07 0.00 0.10 0.00 0.00 66.02 64.97 2vab s SER 11 CO 0.01 -0.02 1.50 -0.09 0.98 0.00 0.00 173.24 175.62 2vab h ARG 12 N 1.73 0.57 -6.14 4.02 9.65 -1.51 -3.45 114.38 119.25 2vab h ARG 12 Ca -0.46 -0.21 -0.60 0.00 -1.10 0.00 0.00 59.98 57.61 2vab h ARG 12 Cb 1.25 -0.03 -0.13 0.00 -1.39 0.00 0.00 29.97 29.66 2vab h ARG 12 CO 0.61 0.75 -0.71 -1.01 2.80 0.00 0.00 179.97 182.41 2vab s HIS 13 N -4.80 2.40 0.23 2.20 3.76 -1.26 -5.03 115.29 112.79 2vab s HIS 13 Ca -0.13 -0.36 -0.30 0.00 -0.15 0.00 0.00 55.06 54.12 2vab s HIS 13 Cb 0.08 -1.15 -0.10 0.00 1.11 0.00 0.00 32.58 32.52 2vab s HIS 13 CO 0.78 0.65 1.49 -2.14 -0.85 0.00 0.00 174.74 174.67 2vab s PRO 14 N -3.58 4.24 0.16 8.40 0.02 -1.26 -4.89 135.00 138.09 2vab s PRO 14 Ca 0.31 2.34 -0.34 0.00 0.02 0.00 0.00 61.00 63.34 2vab s PRO 14 Cb -0.03 -3.11 -0.15 0.00 0.02 0.00 0.00 34.50 31.23 2vab s PRO 14 CO 0.17 -0.49 1.45 -2.30 -0.33 0.00 0.00 177.00 175.50 2vab n PRO 15 N 2.71 1.80 -3.61 5.54 -0.02 -1.26 -4.99 135.00 135.16 2vab n PRO 15 Ca 0.09 0.65 -0.27 0.00 -2.02 0.00 0.00 63.50 61.94 2vab n PRO 15 Cb 0.40 -2.34 -0.17 0.00 -0.02 0.00 0.00 33.50 31.37 2vab n PRO 15 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2vab s GLU 16 N 0.45 0.15 -0.14 -0.52 2.02 -1.26 -5.10 118.70 114.29 2vab s GLU 16 Ca 0.78 -0.21 -0.34 0.00 0.02 0.00 0.00 54.97 55.22 2vab s GLU 16 Cb -0.76 -1.74 -0.11 0.00 0.10 0.00 0.00 34.13 31.63 2vab s GLU 16 CO 0.43 -0.74 1.97 0.09 0.02 0.00 0.00 175.26 177.04 2vab n ASN 17 N 5.25 3.25 0.00 -0.19 3.02 -1.26 -1.31 115.26 124.02 2vab n ASN 17 Ca -0.07 0.80 0.00 0.00 -0.03 0.00 0.00 54.58 55.29 2vab n ASN 17 Cb 0.47 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 2vab n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vab n GLY 18 N 4.87 2.37 3.83 7.41 0.00 -0.29 -4.97 105.19 118.41 2vab n GLY 18 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 2vab n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vab s LYS 19 N -0.28 3.84 0.69 1.61 -0.14 -0.43 -4.95 119.74 120.08 2vab s LYS 19 Ca 0.00 0.21 -0.16 0.00 -1.36 0.00 0.00 55.97 54.66 2vab s LYS 19 Cb 0.00 -3.25 0.02 0.00 -1.68 0.00 0.00 37.83 32.92 2vab s LYS 19 CO 0.00 0.64 1.23 -2.14 -0.76 0.00 0.00 175.35 174.31 2vab s PRO 20 N -0.80 2.37 0.35 -1.68 0.02 -1.26 -4.08 135.00 129.92 2vab s PRO 20 Ca 0.20 1.84 -0.09 0.00 0.02 0.00 0.00 61.00 62.97 2vab s PRO 20 Cb -0.15 -1.85 0.04 0.00 0.02 0.00 0.00 34.50 32.56 2vab s PRO 20 CO 0.09 -1.68 0.62 -1.71 -0.33 0.00 0.00 177.00 173.99 2vab n ASN 21 N -2.35 -1.78 -4.08 2.53 2.85 0.27 -4.93 115.26 107.77 2vab n ASN 21 Ca 0.14 -2.60 -0.26 0.00 -0.11 0.00 0.00 54.58 51.75 2vab n ASN 21 Cb 0.50 3.07 -0.17 0.00 1.24 0.00 0.00 39.78 44.42 2vab n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2vab s ILE 22 N -2.43 1.38 -0.18 -1.44 1.01 -1.26 -0.48 121.20 117.80 2vab s ILE 22 Ca 0.20 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 2vab s ILE 22 Cb -0.03 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 2vab s ILE 22 CO 0.14 0.41 0.05 -0.22 0.00 0.00 0.00 174.94 175.33 2vab s LEU 23 N 0.53 3.75 0.12 2.97 2.96 0.39 -1.11 118.68 128.29 2vab s LEU 23 Ca -0.15 0.05 0.10 0.00 -0.22 0.00 0.00 54.13 53.92 2vab s LEU 23 Cb -0.16 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 2vab s LEU 23 CO 0.05 0.17 -0.25 0.20 -1.32 0.00 0.00 176.35 175.20 2vab s ASN 24 N 0.41 3.43 -0.23 3.68 0.01 0.73 -1.84 114.94 121.12 2vab s ASN 24 Ca 0.02 -0.69 -0.02 0.00 -0.71 0.00 0.00 52.86 51.46 2vab s ASN 24 Cb -0.13 -0.30 0.07 0.00 0.41 0.00 0.00 41.25 41.31 2vab s ASN 24 CO 0.01 0.19 0.05 0.00 -1.51 0.00 0.00 177.10 175.84 2vab s TYR 26 N 1.79 3.21 -0.28 0.00 5.04 0.20 -1.31 117.35 126.00 2vab s TYR 26 Ca 0.02 -0.04 -0.07 0.00 -2.44 0.00 0.00 57.07 54.54 2vab s TYR 26 Cb -0.17 -2.40 -0.00 0.00 0.35 0.00 0.00 41.96 39.74 2vab s TYR 26 CO -0.14 -0.24 0.08 0.08 -1.34 0.00 0.00 175.55 173.98 2vab s VAL 27 N 1.73 4.07 0.15 3.14 1.01 -0.52 -1.25 120.40 128.74 2vab s VAL 27 Ca 0.07 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2vab s VAL 27 Cb -0.16 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2vab s VAL 27 CO 0.10 0.16 -0.14 0.42 0.00 0.00 0.00 175.10 175.64 2vab s THR 28 N 1.54 1.50 -1.10 3.92 -4.23 -0.30 -1.43 115.64 115.53 2vab s THR 28 Ca 0.04 -1.92 -0.04 0.00 -1.18 0.00 0.00 61.69 58.58 2vab s THR 28 Cb -0.16 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.87 2vab s THR 28 CO 0.03 -0.49 0.94 0.00 -0.54 0.00 0.00 174.62 174.56 2vab n GLN 29 N 0.16 -3.67 -4.28 3.99 6.02 -0.06 -0.62 117.38 118.92 2vab n GLN 29 Ca -0.12 0.86 -0.16 0.00 -0.01 0.00 0.00 57.00 57.56 2vab n GLN 29 Cb 0.58 -5.84 -0.10 0.00 1.02 0.00 0.00 30.24 25.90 2vab n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 2vab s PHE 30 N -3.38 1.44 -0.28 1.08 -0.71 -1.18 -4.14 117.98 110.81 2vab s PHE 30 Ca 0.31 -0.65 -0.20 0.00 -1.04 0.00 0.00 56.93 55.34 2vab s PHE 30 Cb -0.04 -0.71 0.12 0.00 -1.21 0.00 0.00 43.02 41.18 2vab s PHE 30 CO 0.74 0.19 0.95 -1.58 -1.34 0.00 0.00 175.22 174.17 2vab s HIS 31 N -2.95 -0.60 1.05 3.49 2.46 -1.03 -1.14 115.29 116.56 2vab s HIS 31 Ca 0.17 1.32 -0.12 0.00 0.47 0.00 0.00 55.06 56.90 2vab s HIS 31 Cb -0.00 0.38 0.22 0.00 -0.13 0.00 0.00 32.58 33.05 2vab s HIS 31 CO 0.03 -0.29 1.07 -2.14 -2.47 0.00 0.00 174.74 170.94 2vab s PRO 32 N 0.83 0.04 0.00 2.88 0.02 -1.22 -0.25 135.00 137.30 2vab s PRO 32 Ca -0.03 0.74 0.18 0.00 0.02 0.00 0.00 61.00 61.90 2vab s PRO 32 Cb -0.04 -1.67 0.99 0.00 0.02 0.00 0.00 34.50 33.79 2vab s PRO 32 CO -0.11 -3.05 1.52 -0.35 -0.33 0.00 0.00 177.00 174.68 2vab n PRO 33 N -4.43 0.40 -2.15 5.54 -0.04 -1.26 -4.74 135.00 128.31 2vab n PRO 33 Ca 0.05 0.07 -0.43 0.00 -0.04 0.00 0.00 63.50 63.15 2vab n PRO 33 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 2vab n PRO 33 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2vab s HIS 34 N -2.31 2.23 -0.12 0.54 3.76 -1.26 -4.97 115.29 113.16 2vab s HIS 34 Ca 0.22 0.51 -0.25 0.00 -0.15 0.00 0.00 55.06 55.39 2vab s HIS 34 Cb 0.12 -3.85 0.06 0.00 1.11 0.00 0.00 32.58 30.02 2vab s HIS 34 CO 0.24 -3.00 0.60 -1.50 -0.85 0.00 0.00 174.74 170.23 2vab s ILE 35 N 4.34 0.01 -0.16 0.60 2.07 -1.26 -4.55 121.20 122.25 2vab s ILE 35 Ca 0.68 -0.08 0.02 0.00 -1.41 0.00 0.00 60.65 59.86 2vab s ILE 35 Cb -0.27 -0.88 0.02 0.00 0.13 0.00 0.00 42.46 41.45 2vab s ILE 35 CO 0.26 -0.04 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.35 2vab s GLU 36 N -0.62 2.91 -0.08 3.50 2.12 -0.60 -5.00 118.70 120.92 2vab s GLU 36 Ca -0.07 -0.81 0.05 0.00 0.36 0.00 0.00 54.97 54.50 2vab s GLU 36 Cb -0.03 -2.45 -0.00 0.00 0.26 0.00 0.00 34.13 31.91 2vab s GLU 36 CO 0.06 -0.13 -0.24 0.42 -0.54 0.00 0.00 175.26 174.82 2vab s ILE 37 N 1.11 2.04 0.01 -3.70 1.01 -1.26 -0.92 121.20 119.50 2vab s ILE 37 Ca -0.00 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.65 2vab s ILE 37 Cb -0.14 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 2vab s ILE 37 CO -0.08 0.56 -0.09 -1.10 0.00 0.00 0.00 174.94 174.23 2vab s GLN 38 N 0.16 0.67 -0.05 2.79 -0.21 -0.04 -5.01 119.66 117.97 2vab s GLN 38 Ca -0.13 -0.44 0.03 0.00 0.02 0.00 0.00 55.36 54.84 2vab s GLN 38 Cb -0.16 -0.62 -0.03 0.00 1.00 0.00 0.00 33.01 33.20 2vab s GLN 38 CO 0.07 0.16 -0.13 -1.64 -2.12 0.00 0.00 175.29 171.63 2vab s MET 39 N -0.57 2.54 0.06 2.91 -1.94 -1.26 -0.37 119.30 120.66 2vab s MET 39 Ca 0.01 -0.68 0.05 0.00 -1.71 0.00 0.00 55.69 53.36 2vab s MET 39 Cb -0.05 -2.42 -0.03 0.00 2.01 0.00 0.00 34.83 34.35 2vab s MET 39 CO 0.00 0.63 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.98 2vab s LEU 40 N -0.80 2.22 -0.20 -0.03 1.43 0.13 -1.32 118.68 120.12 2vab s LEU 40 Ca 0.12 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2vab s LEU 40 Cb -0.11 -0.59 0.05 0.00 0.03 0.00 0.00 46.19 45.57 2vab s LEU 40 CO 0.01 -0.01 -0.07 -0.75 0.23 0.00 0.00 176.35 175.76 2vab s LYS 41 N -1.43 1.71 -1.44 1.70 2.20 0.06 -2.10 119.74 120.44 2vab s LYS 41 Ca 0.00 -0.79 -0.09 0.00 -0.36 0.00 0.00 55.97 54.73 2vab s LYS 41 Cb -0.09 -2.35 0.05 0.00 -1.51 0.00 0.00 37.83 33.93 2vab s LYS 41 CO 0.02 -0.49 0.96 0.09 -0.36 0.00 0.00 175.35 175.57 2vab n ASN 42 N 4.74 -4.15 0.00 1.43 3.02 -0.36 -1.65 115.26 118.30 2vab n ASN 42 Ca -0.13 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 2vab n ASN 42 Cb 0.46 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.43 2vab n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vab n GLY 43 N -1.70 2.09 3.77 7.41 0.00 -1.26 -5.01 105.19 110.49 2vab n GLY 43 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2vab n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vab s LYS 44 N -0.01 3.08 0.15 1.61 1.02 -0.66 -5.05 119.74 119.88 2vab s LYS 44 Ca 0.00 -0.43 -0.30 0.00 0.02 0.00 0.00 55.97 55.25 2vab s LYS 44 Cb 0.00 -2.88 -0.08 0.00 -0.52 0.00 0.00 37.83 34.35 2vab s LYS 44 CO 0.00 0.67 1.27 0.21 -0.92 0.00 0.00 175.35 176.58 2vab s LYS 45 N -1.48 4.41 -0.15 1.68 2.20 -1.26 -0.76 119.74 124.37 2vab s LYS 45 Ca 0.20 1.95 -0.25 0.00 -0.36 0.00 0.00 55.97 57.51 2vab s LYS 45 Cb -0.12 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 32.93 2vab s LYS 45 CO 0.10 -0.25 0.81 0.42 -0.36 0.00 0.00 175.35 176.07 2vab s ILE 46 N 0.49 4.91 -0.07 5.43 1.01 -0.43 -4.90 121.20 127.64 2vab s ILE 46 Ca 0.58 1.60 -0.26 0.00 0.00 0.00 0.00 60.65 62.56 2vab s ILE 46 Cb -0.34 -4.12 -0.23 0.00 0.01 0.00 0.00 42.46 37.78 2vab s ILE 46 CO 0.34 0.07 1.03 1.55 0.00 0.00 0.00 174.94 177.93 2vab h PRO 47 N 7.24 0.08 -5.54 2.79 0.13 -1.94 -3.41 132.00 131.35 2vab h PRO 47 Ca -0.31 -0.08 -0.62 0.00 -0.87 0.00 0.00 66.00 64.12 2vab h PRO 47 Cb 1.14 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 2vab h PRO 47 CO 0.82 0.81 2.11 1.17 -0.23 0.00 0.00 178.00 182.67 2vab n LYS 48 N -4.64 2.81 -4.54 0.86 4.81 -1.26 -4.91 118.16 111.30 2vab n LYS 48 Ca -0.09 -3.01 -0.30 0.00 -0.87 0.00 0.00 58.31 54.04 2vab n LYS 48 Cb 0.42 -3.50 -0.17 0.00 0.02 0.00 0.00 35.03 31.80 2vab n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2vab s VAL 49 N 5.40 1.65 -0.12 3.15 1.01 -1.26 -4.65 120.40 125.57 2vab s VAL 49 Ca 0.56 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 2vab s VAL 49 Cb 0.05 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2vab s VAL 49 CO 0.07 0.47 0.19 -1.61 0.00 0.00 0.00 175.10 174.22 2vab s GLU 50 N 0.92 3.75 -0.16 2.72 2.02 0.12 -4.92 118.70 123.15 2vab s GLU 50 Ca -0.07 -0.05 -0.05 0.00 0.02 0.00 0.00 54.97 54.81 2vab s GLU 50 Cb -0.15 -3.27 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 2vab s GLU 50 CO -0.01 0.61 0.01 -1.64 0.02 0.00 0.00 175.26 174.25 2vab s MET 51 N -0.59 3.77 0.15 1.61 -1.94 -1.26 -0.75 119.30 120.29 2vab s MET 51 Ca 0.15 -0.44 -0.05 0.00 -1.71 0.00 0.00 55.69 53.65 2vab s MET 51 Cb -0.13 -3.04 0.02 0.00 2.01 0.00 0.00 34.83 33.69 2vab s MET 51 CO 0.04 0.28 0.28 -1.13 -0.01 0.00 0.00 175.02 174.48 2vab n SER 52 N 3.45 -0.82 -4.02 3.03 3.41 0.61 -4.99 113.62 114.29 2vab n SER 52 Ca -0.17 -1.66 -0.31 0.00 -0.26 0.00 0.00 58.87 56.47 2vab n SER 52 Cb 0.52 1.39 -0.00 0.00 -0.26 0.00 0.00 64.21 65.86 2vab n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2vab n ASP 53 N -1.39 -2.86 -4.72 4.04 9.92 -1.26 -0.83 116.55 119.44 2vab n ASP 53 Ca -0.03 -0.92 -0.41 0.00 -0.53 0.00 0.00 54.79 52.90 2vab n ASP 53 Cb 0.23 -3.28 -0.04 0.00 -0.64 0.00 0.00 41.12 37.39 2vab n ASP 53 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 2vab s MET 54 N -6.67 4.64 0.04 -1.24 1.75 -1.26 -4.35 119.30 112.20 2vab s MET 54 Ca 0.48 1.49 -0.04 0.00 -1.25 0.00 0.00 55.69 56.37 2vab s MET 54 Cb -0.25 -3.39 0.01 0.00 2.84 0.00 0.00 34.83 34.04 2vab s MET 54 CO 0.88 0.10 0.17 -1.13 -0.65 0.00 0.00 175.02 174.39 2vab n SER 55 N 3.12 -0.33 -3.78 1.11 3.41 -0.82 -5.02 113.62 111.31 2vab n SER 55 Ca 0.04 -1.19 -0.13 0.00 -0.26 0.00 0.00 58.87 57.33 2vab n SER 55 Cb 0.49 0.54 -0.09 0.00 -0.26 0.00 0.00 64.21 64.89 2vab n SER 55 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2vab s PHE 56 N -5.92 -0.17 0.36 7.33 -0.12 -1.26 -1.03 117.98 117.17 2vab s PHE 56 Ca 0.04 0.30 -0.04 0.00 -0.05 0.00 0.00 56.93 57.17 2vab s PHE 56 Cb -0.01 0.07 0.08 0.00 -0.63 0.00 0.00 43.02 42.53 2vab s PHE 56 CO 0.01 -0.32 0.48 -1.13 -0.05 0.00 0.00 175.22 174.22 2vab n SER 57 N 1.65 0.26 -0.17 1.98 3.41 -0.69 -4.88 113.62 115.19 2vab n SER 57 Ca -0.20 -1.31 0.13 0.00 -0.26 0.00 0.00 58.87 57.22 2vab n SER 57 Cb 0.56 -0.35 0.46 0.00 -0.26 0.00 0.00 64.21 64.62 2vab n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2vab h LYS 58 N 0.00 0.49 -0.49 4.33 1.57 -2.03 0.93 116.57 121.37 2vab h LYS 58 Ca -0.16 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2vab h LYS 58 Cb 0.49 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2vab h LYS 58 CO 0.13 0.33 0.00 -0.40 -0.57 0.00 0.00 179.45 178.94 2vab n ASP 59 N -4.49 2.20 0.00 0.86 5.75 -1.26 -4.91 116.55 114.70 2vab n ASP 59 Ca 0.13 -2.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 2vab n ASP 59 Cb 0.44 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 2vab n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2vab n TRP 60 N 0.39 0.00 -2.45 2.11 7.02 0.32 -5.00 117.44 119.82 2vab n TRP 60 Ca 0.11 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.22 2vab n TRP 60 Cb 0.41 -0.80 -0.03 0.00 -2.42 0.00 0.00 31.31 28.47 2vab n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2vab s SER 61 N -2.35 6.72 0.49 -0.99 1.04 -1.26 -4.67 113.70 112.69 2vab s SER 61 Ca 0.00 2.16 -0.19 0.00 0.48 0.00 0.00 55.95 58.40 2vab s SER 61 Cb 0.00 -2.60 -0.08 0.00 0.10 0.00 0.00 66.02 63.44 2vab s SER 61 CO 0.00 -0.52 1.00 -0.36 0.98 0.00 0.00 173.24 174.34 2vab s PHE 62 N -1.53 3.19 -0.02 5.02 0.40 -0.30 -1.70 117.98 123.05 2vab s PHE 62 Ca 0.56 1.55 0.02 0.00 -0.60 0.00 0.00 56.93 58.47 2vab s PHE 62 Cb -0.26 -2.93 0.00 0.00 0.51 0.00 0.00 43.02 40.34 2vab s PHE 62 CO 0.32 -0.56 -0.08 0.71 0.70 0.00 0.00 175.22 176.31 2vab s TYR 63 N -2.26 0.87 -0.11 0.36 1.51 -0.20 -0.88 117.35 116.64 2vab s TYR 63 Ca 0.63 -0.21 -0.15 0.00 -1.01 0.00 0.00 57.07 56.33 2vab s TYR 63 Cb -0.13 -0.62 0.04 0.00 -0.11 0.00 0.00 41.96 41.14 2vab s TYR 63 CO 0.23 -0.08 0.40 -1.50 -1.11 0.00 0.00 175.55 173.48 2vab s ILE 64 N 0.15 0.02 -0.07 2.71 1.10 -0.51 -1.94 121.20 122.65 2vab s ILE 64 Ca -0.02 -0.13 0.04 0.00 -0.51 0.00 0.00 60.65 60.03 2vab s ILE 64 Cb -0.08 -0.61 -0.02 0.00 0.15 0.00 0.00 42.46 41.91 2vab s ILE 64 CO 0.00 -0.07 -0.20 -0.22 -2.11 0.00 0.00 174.94 172.35 2vab s LEU 65 N -0.28 2.38 -0.07 8.50 2.96 -0.01 -1.43 118.68 130.72 2vab s LEU 65 Ca -0.04 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.53 2vab s LEU 65 Cb -0.03 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 2vab s LEU 65 CO 0.02 0.25 -0.23 0.00 -1.32 0.00 0.00 176.35 175.07 2vab s ALA 66 N -0.18 2.24 0.04 5.97 0.00 -0.43 -0.29 121.76 129.10 2vab s ALA 66 Ca -0.02 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 50.78 2vab s ALA 66 Cb -0.14 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.24 2vab s ALA 66 CO 0.03 0.38 0.33 -3.38 0.00 0.00 0.00 175.76 173.13 2vab s HIS 67 N -0.05 -0.15 0.11 0.00 -3.43 0.07 -0.59 115.29 111.25 2vab s HIS 67 Ca -0.07 0.06 -0.15 0.00 -0.80 0.00 0.00 55.06 54.11 2vab s HIS 67 Cb -0.15 0.12 0.03 0.00 -1.43 0.00 0.00 32.58 31.15 2vab s HIS 67 CO 0.05 -0.50 0.36 -0.08 -2.00 0.00 0.00 174.74 172.57 2vab s THR 68 N -2.39 0.08 0.39 -5.38 -1.32 -0.77 -0.70 115.64 105.56 2vab s THR 68 Ca -0.06 -0.67 -0.10 0.00 -1.21 0.00 0.00 61.69 59.65 2vab s THR 68 Cb -0.01 -1.17 -0.06 0.00 -1.51 0.00 0.00 72.50 69.74 2vab s THR 68 CO -0.02 -0.37 0.75 -1.61 -2.21 0.00 0.00 174.62 171.16 2vab s GLU 69 N -3.67 3.78 -0.18 7.08 2.02 -1.26 -0.46 118.70 126.01 2vab s GLU 69 Ca 0.02 0.44 -0.29 0.00 0.02 0.00 0.00 54.97 55.16 2vab s GLU 69 Cb 0.02 -2.42 0.13 0.00 0.10 0.00 0.00 34.13 31.96 2vab s GLU 69 CO -0.11 -0.00 1.01 -0.59 0.02 0.00 0.00 175.26 175.59 2vab s PHE 70 N -2.32 -0.38 -0.37 1.61 -0.71 0.36 -4.82 117.98 111.35 2vab s PHE 70 Ca 0.51 0.70 -0.02 0.00 -1.04 0.00 0.00 56.93 57.08 2vab s PHE 70 Cb -0.10 0.44 0.09 0.00 -1.21 0.00 0.00 43.02 42.23 2vab s PHE 70 CO 0.30 -0.32 0.14 0.99 -1.34 0.00 0.00 175.22 174.99 2vab s THR 71 N -0.89 3.17 0.72 -4.49 2.01 -1.26 0.94 115.64 115.84 2vab s THR 71 Ca -0.01 -1.85 -0.16 0.00 0.31 0.00 0.00 61.69 59.98 2vab s THR 71 Cb -0.01 -3.07 0.02 0.00 0.01 0.00 0.00 72.50 69.44 2vab s THR 71 CO 0.00 -0.51 1.14 -0.81 -0.69 0.00 0.00 174.62 173.76 2vab n PRO 72 N 4.59 0.64 -4.19 4.92 -0.04 -1.26 -4.71 135.00 134.94 2vab n PRO 72 Ca -0.05 0.28 -0.12 0.00 -0.04 0.00 0.00 63.50 63.57 2vab n PRO 72 Cb 0.42 -2.39 -0.10 0.00 -0.04 0.00 0.00 33.50 31.40 2vab n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2vab s THR 73 N -1.74 0.62 -2.04 0.52 2.01 -1.26 -1.13 115.64 112.61 2vab s THR 73 Ca 0.77 -1.95 0.10 0.00 0.31 0.00 0.00 61.69 60.91 2vab s THR 73 Cb -0.34 -1.89 0.25 0.00 0.01 0.00 0.00 72.50 70.53 2vab s THR 73 CO 0.47 -0.67 1.29 1.21 -0.69 0.00 0.00 174.62 176.23 2vab n GLU 74 N -0.13 1.31 0.00 4.92 4.07 -1.26 -3.80 120.64 125.75 2vab n GLU 74 Ca -0.09 -0.48 0.00 0.00 -0.06 0.00 0.00 57.16 56.53 2vab n GLU 74 Cb 0.62 -1.19 0.00 0.00 -0.06 0.00 0.00 31.44 30.81 2vab n GLU 74 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2vab n THR 75 N -0.18 0.00 -3.34 6.31 -2.24 -1.26 -5.06 114.28 108.51 2vab n THR 75 Ca 0.08 -0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.25 2vab n THR 75 Cb 0.13 1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 69.54 2vab n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2vab s ASP 76 N -0.27 6.80 -0.02 3.42 1.01 -1.25 -5.07 116.67 121.29 2vab s ASP 76 Ca 0.00 1.08 0.06 0.00 0.71 0.00 0.00 52.55 54.39 2vab s ASP 76 Cb 0.00 -2.29 -0.01 0.00 1.01 0.00 0.00 42.92 41.63 2vab s ASP 76 CO 0.00 0.05 -0.18 0.42 0.21 0.00 0.00 175.17 175.67 2vab s THR 77 N -1.56 1.47 0.17 -1.27 -4.23 -1.26 -4.84 115.64 104.12 2vab s THR 77 Ca 0.41 -0.79 0.11 0.00 -1.18 0.00 0.00 61.69 60.24 2vab s THR 77 Cb -0.14 -1.23 -0.04 0.00 1.34 0.00 0.00 72.50 72.43 2vab s THR 77 CO 0.20 0.42 -0.24 -0.31 -0.54 0.00 0.00 174.62 174.14 2vab s TYR 78 N -0.38 2.33 0.19 3.99 1.51 -1.26 -1.22 117.35 122.51 2vab s TYR 78 Ca 0.06 -0.36 -0.21 0.00 -1.01 0.00 0.00 57.07 55.55 2vab s TYR 78 Cb -0.08 -1.19 0.05 0.00 -0.11 0.00 0.00 41.96 40.63 2vab s TYR 78 CO -0.00 0.45 0.60 0.00 -1.11 0.00 0.00 175.55 175.48 2vab s ALA 79 N -1.46 -1.33 -0.14 3.71 0.00 -0.89 -1.05 121.76 120.61 2vab s ALA 79 Ca 0.19 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.27 2vab s ALA 79 Cb -0.09 0.86 0.02 0.00 0.00 0.00 0.00 23.12 23.91 2vab s ALA 79 CO 0.09 -0.83 -0.14 0.00 0.00 0.00 0.00 175.76 174.88 2vab s ARG 81 N 1.40 3.78 -0.04 0.00 3.52 0.50 -0.95 118.95 127.16 2vab s ARG 81 Ca 0.03 -0.44 0.06 0.00 -0.13 0.00 0.00 55.73 55.25 2vab s ARG 81 Cb -0.13 -3.17 -0.01 0.00 -1.56 0.00 0.00 34.95 30.08 2vab s ARG 81 CO -0.09 0.10 -0.22 0.08 -0.81 0.00 0.00 175.30 174.36 2vab s VAL 82 N 0.82 1.80 -0.15 7.11 1.01 0.33 -0.86 120.40 130.45 2vab s VAL 82 Ca 0.02 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.08 2vab s VAL 82 Cb -0.14 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2vab s VAL 82 CO 0.02 0.51 -0.20 -0.54 0.00 0.00 0.00 175.10 174.89 2vab s LYS 83 N -0.22 3.07 -0.03 2.72 1.02 -0.10 -1.16 119.74 125.05 2vab s LYS 83 Ca 0.00 -0.82 -0.08 0.00 0.02 0.00 0.00 55.97 55.09 2vab s LYS 83 Cb -0.12 -2.52 0.01 0.00 -0.52 0.00 0.00 37.83 34.69 2vab s LYS 83 CO 0.02 -0.04 0.18 -1.58 -0.92 0.00 0.00 175.35 173.00 2vab s HIS 84 N 0.91 -0.08 -2.00 3.18 2.46 -1.26 -1.56 115.29 116.94 2vab s HIS 84 Ca -0.04 0.15 0.02 0.00 0.47 0.00 0.00 55.06 55.66 2vab s HIS 84 Cb -0.15 0.01 0.10 0.00 -0.13 0.00 0.00 32.58 32.41 2vab s HIS 84 CO -0.03 -0.23 0.38 -0.25 -2.47 0.00 0.00 174.74 172.14 2vab n ASP 85 N 2.02 0.00 -0.83 9.88 9.92 -1.26 -1.30 116.55 134.97 2vab n ASP 85 Ca -0.19 -0.19 0.10 0.00 -0.53 0.00 0.00 54.79 53.98 2vab n ASP 85 Cb 0.57 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.15 2vab n ASP 85 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2vab n SER 86 N -0.72 2.76 -4.10 -2.24 3.41 -1.26 -4.94 113.62 106.53 2vab n SER 86 Ca 0.01 -1.85 -0.23 0.00 -0.26 0.00 0.00 58.87 56.55 2vab n SER 86 Cb 0.01 -0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 63.77 2vab n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2vab s MET 87 N -1.61 1.21 0.20 4.33 -1.94 -0.42 -4.94 119.30 116.13 2vab s MET 87 Ca 0.25 -0.50 -0.08 0.00 -1.71 0.00 0.00 55.69 53.65 2vab s MET 87 Cb 0.17 -1.15 0.11 0.00 2.01 0.00 0.00 34.83 35.97 2vab s MET 87 CO 0.25 0.28 1.67 0.00 -0.01 0.00 0.00 175.02 177.21 2vab h ALA 88 N 5.91 0.89 -3.31 3.03 0.00 -1.92 -3.45 119.26 120.41 2vab h ALA 88 Ca -0.34 -0.30 -0.31 0.00 0.00 0.00 0.00 54.91 53.96 2vab h ALA 88 Cb 1.16 -0.23 -0.22 0.00 0.00 0.00 0.00 17.79 18.50 2vab h ALA 88 CO 0.49 0.66 -0.75 -1.21 0.00 0.00 0.00 179.25 178.44 2vab s GLU 89 N -5.07 0.59 0.23 0.00 2.02 -1.26 -5.12 118.70 110.09 2vab s GLU 89 Ca -0.11 -0.74 -0.31 0.00 0.02 0.00 0.00 54.97 53.82 2vab s GLU 89 Cb 0.14 -0.43 -0.14 0.00 0.10 0.00 0.00 34.13 33.80 2vab s GLU 89 CO 0.85 0.09 1.38 -2.30 0.02 0.00 0.00 175.26 175.30 2vab n PRO 90 N 1.58 1.92 -3.62 0.39 -0.02 -1.26 -4.95 135.00 129.04 2vab n PRO 90 Ca -0.21 0.68 -0.36 0.00 -2.02 0.00 0.00 63.50 61.59 2vab n PRO 90 Cb 0.55 -2.32 -0.07 0.00 -0.02 0.00 0.00 33.50 31.64 2vab n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2vab s LYS 91 N -0.38 4.18 -0.15 -0.52 2.20 -0.31 -4.89 119.74 119.88 2vab s LYS 91 Ca 0.69 -0.01 -0.03 0.00 -0.36 0.00 0.00 55.97 56.26 2vab s LYS 91 Cb -0.68 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.21 2vab s LYS 91 CO 0.50 0.30 -0.07 0.99 -0.36 0.00 0.00 175.35 176.71 2vab s THR 92 N 0.32 3.58 -0.19 3.43 2.01 -1.26 -0.51 115.64 123.01 2vab s THR 92 Ca 0.14 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.68 2vab s THR 92 Cb -0.12 -2.55 0.03 0.00 0.01 0.00 0.00 72.50 69.86 2vab s THR 92 CO 0.02 0.50 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 2vab s VAL 93 N 0.44 2.01 0.27 3.82 1.01 -0.12 -4.95 120.40 122.87 2vab s VAL 93 Ca -0.06 -1.01 -0.21 0.00 0.00 0.00 0.00 61.98 60.70 2vab s VAL 93 Cb -0.15 -1.88 -0.09 0.00 0.00 0.00 0.00 36.38 34.27 2vab s VAL 93 CO 0.04 0.43 0.79 -0.31 0.00 0.00 0.00 175.10 176.05 2vab s TYR 94 N 1.29 3.61 -0.00 5.22 2.02 -1.26 -0.78 117.35 127.44 2vab s TYR 94 Ca 0.03 1.48 -0.30 0.00 -0.37 0.00 0.00 57.07 57.91 2vab s TYR 94 Cb -0.14 -2.70 -0.05 0.00 -0.40 0.00 0.00 41.96 38.67 2vab s TYR 94 CO -0.11 0.26 1.34 -0.46 -1.57 0.00 0.00 175.55 175.00 2vab s TRP 95 N -1.63 2.99 -0.51 2.71 -0.00 -0.21 -4.93 118.94 117.36 2vab s TRP 95 Ca 0.47 0.95 -0.14 0.00 -0.00 0.00 0.00 56.10 57.38 2vab s TRP 95 Cb -0.16 -3.59 0.12 0.00 -0.00 0.00 0.00 33.47 29.84 2vab s TRP 95 CO 0.21 -2.09 0.45 0.34 -0.00 0.00 0.00 176.95 175.85 2vab s ASP 96 N 1.69 6.06 0.00 5.86 -1.08 -1.26 -4.81 116.67 123.13 2vab s ASP 96 Ca 0.62 -1.75 0.24 0.00 -0.52 0.00 0.00 52.55 51.14 2vab s ASP 96 Cb -0.30 -2.16 1.19 0.00 -1.46 0.00 0.00 42.92 40.19 2vab s ASP 96 CO 0.26 -0.79 1.80 -2.11 0.52 0.00 0.00 175.17 174.85 2vab n ARG 97 N 5.16 0.28 -0.02 4.34 1.85 -1.26 -3.10 116.66 123.92 2vab n ARG 97 Ca -0.12 0.06 0.10 0.00 -1.00 0.00 0.00 57.85 56.89 2vab n ARG 97 Cb 0.41 -1.50 0.09 0.00 -1.05 0.00 0.00 32.46 30.41 2vab n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2vab n ASP 98 N -1.33 2.69 0.00 2.89 8.00 -1.26 -4.86 116.55 122.68 2vab n ASP 98 Ca 0.10 -1.83 0.00 0.00 0.71 0.00 0.00 54.79 53.78 2vab n ASP 98 Cb 0.21 -0.02 0.02 0.00 -0.02 0.00 0.00 41.12 41.30 2vab n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61