#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3i n SER 2 N 0.00 -6.62 -4.83 0.00 7.64 -1.25 -4.95 113.62 103.61 2b3i n SER 2 Ca 0.00 0.37 -0.26 0.00 1.01 0.00 0.00 58.87 59.98 2b3i n SER 2 Cb 0.00 -4.42 -0.04 0.00 -1.01 0.00 0.00 64.21 58.74 2b3i n SER 2 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2b3i s VAL 3 N -2.33 1.84 0.07 0.44 -7.23 0.04 -4.97 120.40 108.26 2b3i s VAL 3 Ca 0.17 -1.62 -0.06 0.00 -1.81 0.00 0.00 61.98 58.66 2b3i s VAL 3 Cb -0.05 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 2b3i s VAL 3 CO 0.60 0.00 0.11 0.00 -0.31 0.00 0.00 175.10 175.50 2b3i s GLN 4 N -4.10 0.75 -0.16 4.82 -2.07 -1.26 0.31 119.66 117.96 2b3i s GLN 4 Ca 0.32 -1.03 0.00 0.00 -1.82 0.00 0.00 55.36 52.84 2b3i s GLN 4 Cb 0.00 0.29 0.03 0.00 -1.09 0.00 0.00 33.01 32.24 2b3i s GLN 4 CO 0.19 -0.21 -0.13 0.42 -1.32 0.00 0.00 175.29 174.24 2b3i s ILE 5 N -3.80 1.56 -0.06 3.63 -1.09 0.49 -4.58 121.20 117.36 2b3i s ILE 5 Ca 0.05 -0.69 -0.11 0.00 -2.23 0.00 0.00 60.65 57.67 2b3i s ILE 5 Cb 0.06 -1.50 -0.05 0.00 -1.58 0.00 0.00 42.46 39.38 2b3i s ILE 5 CO -0.10 0.40 0.28 -0.54 -1.23 0.00 0.00 174.94 173.75 2b3i s LYS 6 N 1.48 3.69 -0.46 2.79 1.02 0.44 0.08 119.74 128.78 2b3i s LYS 6 Ca 0.04 0.16 -0.03 0.00 0.02 0.00 0.00 55.97 56.16 2b3i s LYS 6 Cb -0.13 -3.21 0.12 0.00 -0.52 0.00 0.00 37.83 34.09 2b3i s LYS 6 CO -0.10 0.73 0.26 -1.64 -0.92 0.00 0.00 175.35 173.68 2b3i s MET 7 N -1.06 2.12 0.00 1.68 -1.94 0.18 0.91 119.30 121.19 2b3i s MET 7 Ca 0.20 -1.99 0.00 0.00 -1.71 0.00 0.00 55.69 52.19 2b3i s MET 7 Cb -0.14 -3.61 0.00 0.00 2.01 0.00 0.00 34.83 33.08 2b3i s MET 7 CO 0.09 -1.10 0.00 0.41 -0.01 0.00 0.00 175.02 174.41 2b3i n GLY 8 N 4.33 3.45 3.46 -0.03 0.00 0.38 -0.76 105.19 116.01 2b3i n GLY 8 Ca 0.00 -1.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.00 2b3i n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b3i s THR 9 N -2.13 2.52 0.30 2.61 -4.23 0.18 -4.64 115.64 110.25 2b3i s THR 9 Ca 0.00 -2.01 0.30 0.00 -1.18 0.00 0.00 61.69 58.80 2b3i s THR 9 Cb 0.00 -2.23 0.30 0.00 1.34 0.00 0.00 72.50 71.91 2b3i s THR 9 CO 0.00 -0.15 1.91 -0.78 -0.54 0.00 0.00 174.62 175.06 2b3i h ASP 10 N 3.03 0.00 -0.59 3.99 3.58 -1.99 -1.03 116.42 123.41 2b3i h ASP 10 Ca -0.46 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 56.63 2b3i h ASP 10 Cb 1.21 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.11 2b3i h ASP 10 CO 0.50 0.00 0.42 1.17 -2.88 0.00 0.00 179.24 178.45 2b3i n LYS 11 N -2.64 1.94 -3.27 0.28 4.81 -1.26 -4.79 118.16 113.23 2b3i n LYS 11 Ca -0.02 -1.75 -0.19 0.00 -0.87 0.00 0.00 58.31 55.48 2b3i n LYS 11 Cb 0.15 -1.73 -0.04 0.00 0.02 0.00 0.00 35.03 33.43 2b3i n LYS 11 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2b3i n TYR 12 N 0.42 -1.46 -3.66 5.64 4.01 -0.40 -4.85 117.16 116.87 2b3i n TYR 12 Ca 0.35 0.30 -0.39 0.00 -0.16 0.00 0.00 57.90 58.00 2b3i n TYR 12 Cb 0.58 -1.29 -0.12 0.00 -0.31 0.00 0.00 39.34 38.20 2b3i n TYR 12 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2b3i s ALA 13 N -2.42 3.19 -1.22 -0.72 0.00 -1.15 -4.93 121.76 114.52 2b3i s ALA 13 Ca 0.37 -1.71 -0.20 0.00 0.00 0.00 0.00 51.96 50.42 2b3i s ALA 13 Cb -0.22 -2.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 2b3i s ALA 13 CO 0.45 -1.34 1.88 -0.35 0.00 0.00 0.00 175.76 176.40 2b3i n PRO 14 N 4.93 2.38 -4.19 0.00 -0.04 -1.26 0.52 135.00 137.33 2b3i n PRO 14 Ca -0.12 -2.77 -0.12 0.00 -0.04 0.00 0.00 63.50 60.45 2b3i n PRO 14 Cb 0.46 -3.52 -0.10 0.00 -0.04 0.00 0.00 33.50 30.30 2b3i n PRO 14 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2b3i s LEU 15 N 6.48 2.38 0.30 1.53 0.05 -1.26 -4.30 118.68 123.86 2b3i s LEU 15 Ca 0.59 -1.06 -0.27 0.00 0.05 0.00 0.00 54.13 53.44 2b3i s LEU 15 Cb 0.04 -0.07 -0.10 0.00 -2.05 0.00 0.00 46.19 44.01 2b3i s LEU 15 CO 0.09 -0.49 0.96 -0.31 -0.55 0.00 0.00 176.35 176.05 2b3i s TYR 16 N -3.63 3.72 -0.11 3.48 2.02 -1.26 0.14 117.35 121.72 2b3i s TYR 16 Ca 0.16 1.80 -0.05 0.00 -0.37 0.00 0.00 57.07 58.61 2b3i s TYR 16 Cb 0.05 -2.98 0.05 0.00 -0.40 0.00 0.00 41.96 38.68 2b3i s TYR 16 CO -0.02 0.15 0.23 -2.00 -1.57 0.00 0.00 175.55 172.34 2b3i s GLU 17 N -1.82 0.16 0.80 -0.62 2.12 0.26 -3.46 118.70 116.15 2b3i s GLU 17 Ca 0.48 0.57 -0.11 0.00 0.36 0.00 0.00 54.97 56.27 2b3i s GLU 17 Cb -0.22 -0.12 0.07 0.00 0.26 0.00 0.00 34.13 34.13 2b3i s GLU 17 CO 0.27 -0.21 1.10 -1.25 -0.54 0.00 0.00 175.26 174.63 2b3i s PRO 18 N 1.64 2.06 0.27 4.30 0.04 -1.26 0.17 135.00 142.22 2b3i s PRO 18 Ca -0.06 0.63 -0.04 0.00 0.04 0.00 0.00 61.00 61.57 2b3i s PRO 18 Cb -0.11 -1.92 0.33 0.00 0.04 0.00 0.00 34.50 32.84 2b3i s PRO 18 CO -0.08 -1.63 1.92 -0.22 0.04 0.00 0.00 177.00 177.03 2b3i h LYS 19 N -1.10 1.19 -6.40 4.56 3.11 -1.86 -3.43 116.57 112.65 2b3i h LYS 19 Ca -0.47 -0.10 -0.60 0.00 -2.81 0.00 0.00 60.65 56.67 2b3i h LYS 19 Cb 1.27 -0.25 -0.22 0.00 -1.00 0.00 0.00 32.23 32.03 2b3i h LYS 19 CO 0.59 0.82 -0.84 0.00 -2.81 0.00 0.00 179.45 177.21 2b3i s ALA 20 N -5.92 1.98 -0.01 5.00 0.00 -1.26 -2.41 121.76 119.15 2b3i s ALA 20 Ca -0.12 -1.31 -0.01 0.00 0.00 0.00 0.00 51.96 50.52 2b3i s ALA 20 Cb 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.00 2b3i s ALA 20 CO 0.81 0.42 0.02 -1.17 0.00 0.00 0.00 175.76 175.84 2b3i s LEU 21 N -1.92 1.92 0.02 0.00 2.96 -0.25 -4.92 118.68 116.48 2b3i s LEU 21 Ca 0.09 0.01 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 2b3i s LEU 21 Cb -0.10 0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.67 2b3i s LEU 21 CO 0.05 -0.03 -0.14 -0.55 -1.32 0.00 0.00 176.35 174.36 2b3i s SER 22 N -0.09 1.65 0.25 3.68 0.15 -1.26 -0.10 113.70 117.97 2b3i s SER 22 Ca -0.01 -0.36 -0.06 0.00 0.70 0.00 0.00 55.95 56.22 2b3i s SER 22 Cb -0.01 -0.14 0.02 0.00 -1.71 0.00 0.00 66.02 64.18 2b3i s SER 22 CO -0.00 0.10 0.43 2.30 1.20 0.00 0.00 173.24 177.27 2b3i n ILE 23 N 2.30 0.00 -4.52 6.45 -5.35 0.50 -4.71 119.36 114.03 2b3i n ILE 23 Ca -0.16 -0.88 -0.25 0.00 -0.27 0.00 0.00 62.75 61.19 2b3i n ILE 23 Cb 0.55 0.68 -0.11 0.00 -1.74 0.00 0.00 39.64 39.02 2b3i n ILE 23 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2b3i s SER 24 N -2.38 3.50 -0.43 7.28 0.01 -1.26 0.19 113.70 120.61 2b3i s SER 24 Ca 0.14 -1.22 -0.27 0.00 1.31 0.00 0.00 55.95 55.92 2b3i s SER 24 Cb -0.02 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 2b3i s SER 24 CO 0.10 -0.26 2.11 0.00 0.41 0.00 0.00 173.24 175.60 2b3i s ALA 25 N -2.72 2.24 0.00 1.44 0.00 -1.26 -0.80 121.76 120.65 2b3i s ALA 25 Ca 0.32 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2b3i s ALA 25 Cb 0.04 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2b3i s ALA 25 CO 0.16 -3.61 0.00 0.41 0.00 0.00 0.00 175.76 172.71 2b3i n GLY 26 N 5.76 0.96 3.93 0.00 0.00 -0.55 -4.92 105.19 110.38 2b3i n GLY 26 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 2b3i n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2b3i s ASP 27 N -0.97 4.21 0.16 1.61 1.11 0.02 -4.82 116.67 117.99 2b3i s ASP 27 Ca 0.00 0.40 0.09 0.00 0.18 0.00 0.00 52.55 53.22 2b3i s ASP 27 Cb 0.00 -0.81 -0.04 0.00 1.07 0.00 0.00 42.92 43.14 2b3i s ASP 27 CO 0.00 -2.02 -0.20 -0.89 1.18 0.00 0.00 175.17 173.24 2b3i s THR 28 N -3.50 1.94 -0.27 -1.27 2.01 -1.26 -1.49 115.64 111.79 2b3i s THR 28 Ca 0.65 -1.87 -0.01 0.00 0.31 0.00 0.00 61.69 60.77 2b3i s THR 28 Cb -0.08 -1.86 0.09 0.00 0.01 0.00 0.00 72.50 70.66 2b3i s THR 28 CO 0.48 -0.21 0.08 -0.69 -0.69 0.00 0.00 174.62 173.59 2b3i s VAL 29 N -1.76 0.75 0.77 3.82 1.01 -0.45 -0.78 120.40 123.75 2b3i s VAL 29 Ca 0.15 -1.13 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 2b3i s VAL 29 Cb -0.07 -1.46 0.06 0.00 0.00 0.00 0.00 36.38 34.91 2b3i s VAL 29 CO 0.07 -0.53 1.14 -0.70 0.00 0.00 0.00 175.10 175.07 2b3i s GLU 30 N 1.70 2.19 -0.10 2.72 2.12 0.15 -3.20 118.70 124.28 2b3i s GLU 30 Ca 0.06 0.13 -0.04 0.00 0.36 0.00 0.00 54.97 55.48 2b3i s GLU 30 Cb -0.17 -2.00 0.05 0.00 0.26 0.00 0.00 34.13 32.27 2b3i s GLU 30 CO -0.21 -1.42 0.21 -0.06 -0.54 0.00 0.00 175.26 173.24 2b3i s PHE 31 N -3.48 -0.30 0.03 5.30 0.40 -0.57 0.18 117.98 119.55 2b3i s PHE 31 Ca 0.61 0.78 0.06 0.00 -0.60 0.00 0.00 56.93 57.77 2b3i s PHE 31 Cb -0.11 -0.12 -0.02 0.00 0.51 0.00 0.00 43.02 43.28 2b3i s PHE 31 CO 0.49 -0.30 -0.16 0.54 0.70 0.00 0.00 175.22 176.49 2b3i s VAL 32 N 2.17 1.31 -0.52 -0.44 0.11 0.11 -0.98 120.40 122.16 2b3i s VAL 32 Ca 0.00 -1.00 -0.21 0.00 -2.93 0.00 0.00 61.98 57.84 2b3i s VAL 32 Cb -0.12 -1.15 0.05 0.00 -1.53 0.00 0.00 36.38 33.63 2b3i s VAL 32 CO -0.07 0.13 0.75 -0.04 -3.33 0.00 0.00 175.10 172.53 2b3i s MET 33 N -1.01 3.21 0.00 1.54 -1.94 -1.26 -0.65 119.30 119.19 2b3i s MET 33 Ca 0.04 -0.62 -0.01 0.00 -1.71 0.00 0.00 55.69 53.39 2b3i s MET 33 Cb -0.08 -4.07 -0.00 0.00 2.01 0.00 0.00 34.83 32.69 2b3i s MET 33 CO 0.01 -1.31 1.02 -0.91 -0.01 0.00 0.00 175.02 173.82 2b3i h ASN 34 N 9.11 -0.04 -0.18 3.03 4.21 -1.21 -3.43 115.58 127.07 2b3i h ASN 34 Ca -0.27 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.24 2b3i h ASN 34 Cb 1.09 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.30 2b3i h ASN 34 CO 1.01 -0.02 0.00 2.29 -1.29 0.00 0.00 177.43 179.42 2b3i n LYS 35 N -2.34 0.00 -4.15 0.81 2.85 -1.13 -4.99 118.16 109.22 2b3i n LYS 35 Ca -0.00 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.92 2b3i n LYS 35 Cb 0.01 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.37 2b3i n LYS 35 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2b3i n VAL 36 N 0.00 -1.48 -1.58 0.58 3.14 -1.26 -4.60 118.33 113.13 2b3i n VAL 36 Ca 0.00 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2b3i n VAL 36 Cb 0.00 -1.97 0.00 0.00 -1.06 0.00 0.00 33.84 30.81 2b3i n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2b3i n GLY 37 N -1.54 -0.05 3.54 7.55 0.00 -1.26 -4.85 105.19 108.58 2b3i n GLY 37 Ca 0.00 -1.82 -0.28 0.00 0.00 0.00 0.00 46.02 43.92 2b3i n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2b3i n PRO 38 N -0.89 -2.14 -2.08 1.61 -0.04 -1.26 -5.14 135.00 125.05 2b3i n PRO 38 Ca 0.00 -1.83 -0.01 0.00 -0.04 0.00 0.00 63.50 61.62 2b3i n PRO 38 Cb 0.00 -1.44 -0.00 0.00 -0.04 0.00 0.00 33.50 32.01 2b3i n PRO 38 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2b3i n HIS 39 N -4.26 -0.00 -2.87 0.54 8.25 -1.26 -4.91 115.22 110.71 2b3i n HIS 39 Ca 0.15 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2b3i n HIS 39 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 2b3i n HIS 39 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2b3i n ASN 40 N -2.32 0.00 -2.77 0.41 5.15 -1.26 -3.35 115.26 111.12 2b3i n ASN 40 Ca -0.00 -0.14 -0.09 0.00 -0.60 0.00 0.00 54.58 53.75 2b3i n ASN 40 Cb 0.02 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 39.35 2b3i n ASN 40 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2b3i n VAL 41 N 0.00 0.07 -3.25 3.44 0.31 -1.24 -4.93 118.33 112.73 2b3i n VAL 41 Ca 0.00 -1.99 -0.39 0.00 -0.01 0.00 0.00 64.34 61.95 2b3i n VAL 41 Cb 0.00 1.05 -0.07 0.00 -0.91 0.00 0.00 33.84 33.92 2b3i n VAL 41 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2b3i s ILE 42 N -0.36 5.11 0.68 2.52 -1.09 -1.19 -2.32 121.20 124.55 2b3i s ILE 42 Ca 0.24 0.97 -0.04 0.00 -2.23 0.00 0.00 60.65 59.60 2b3i s ILE 42 Cb 0.35 -3.85 0.08 0.00 -1.58 0.00 0.00 42.46 37.46 2b3i s ILE 42 CO -0.06 0.19 0.96 -0.36 -1.23 0.00 0.00 174.94 174.45 2b3i s PHE 43 N 1.52 2.52 -0.18 3.97 0.40 -1.26 -0.66 117.98 124.29 2b3i s PHE 43 Ca 0.25 0.15 -0.16 0.00 -0.60 0.00 0.00 56.93 56.56 2b3i s PHE 43 Cb -0.15 -3.09 -0.06 0.00 0.51 0.00 0.00 43.02 40.22 2b3i s PHE 43 CO 0.10 -1.41 -0.31 -3.47 0.70 0.00 0.00 175.22 170.83 2b3i n ASP 44 N -2.80 1.91 0.00 1.36 2.03 0.13 -4.70 116.55 114.48 2b3i n ASP 44 Ca 0.10 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.80 2b3i n ASP 44 Cb 0.60 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 2b3i n ASP 44 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2b3i n LYS 45 N -4.48 0.00 -4.42 -0.67 5.02 -1.21 -4.85 118.16 107.55 2b3i n LYS 45 Ca -0.15 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.91 2b3i n LYS 45 Cb 0.49 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.40 2b3i n LYS 45 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2b3i s VAL 46 N -1.34 2.20 0.72 -0.18 -7.23 -1.26 -3.73 120.40 109.58 2b3i s VAL 46 Ca 0.00 -2.27 -0.11 0.00 -1.81 0.00 0.00 61.98 57.79 2b3i s VAL 46 Cb 0.00 -2.17 0.02 0.00 0.56 0.00 0.00 36.38 34.80 2b3i s VAL 46 CO 0.00 -0.42 1.07 -2.16 -0.31 0.00 0.00 175.10 173.28 2b3i s PRO 47 N -3.40 2.72 -0.46 4.82 0.04 -1.26 -4.83 135.00 132.63 2b3i s PRO 47 Ca 0.26 0.88 -0.46 0.00 0.04 0.00 0.00 61.00 61.71 2b3i s PRO 47 Cb -0.04 -1.97 -0.20 0.00 0.04 0.00 0.00 34.50 32.33 2b3i s PRO 47 CO 0.11 -1.23 1.55 0.00 0.04 0.00 0.00 177.00 177.47 2b3i n ALA 48 N -3.21 -1.54 0.00 8.56 0.00 -1.26 -3.25 120.51 119.81 2b3i n ALA 48 Ca 0.07 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2b3i n ALA 48 Cb 0.54 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2b3i n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b3i n GLY 49 N 3.77 1.41 2.47 0.00 0.00 -1.26 -4.93 105.19 106.65 2b3i n GLY 49 Ca 0.30 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 2b3i n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2b3i n GLU 50 N 0.00 -0.38 -3.56 1.61 2.13 -1.20 -4.92 120.64 114.33 2b3i n GLU 50 Ca 0.00 -1.51 -0.27 0.00 0.66 0.00 0.00 57.16 56.04 2b3i n GLU 50 Cb 0.00 -0.67 -0.10 0.00 0.27 0.00 0.00 31.44 30.94 2b3i n GLU 50 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2b3i n SER 51 N -3.27 1.34 0.15 4.31 7.64 -1.26 -4.90 113.62 117.62 2b3i n SER 51 Ca 0.11 -2.83 -0.14 0.00 1.01 0.00 0.00 58.87 57.01 2b3i n SER 51 Cb 0.37 -0.65 -0.07 0.00 -1.01 0.00 0.00 64.21 62.85 2b3i n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b3i h ALA 52 N 5.18 -0.34 0.00 -0.43 0.00 -1.94 -2.20 119.26 119.55 2b3i h ALA 52 Ca 0.19 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 2b3i h ALA 52 Cb 0.82 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2b3i h ALA 52 CO 0.56 -0.70 0.13 -0.35 0.00 0.00 0.00 179.25 178.89 2b3i n PRO 53 N -5.26 1.60 0.00 0.00 -0.04 -1.26 -2.70 135.00 127.34 2b3i n PRO 53 Ca -0.09 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 2b3i n PRO 53 Cb 0.18 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 2b3i n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b3i n ALA 54 N 2.74 0.00 0.25 0.55 0.00 -1.07 -4.89 120.51 118.10 2b3i n ALA 54 Ca 0.34 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.91 2b3i n ALA 54 Cb 0.64 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.72 2b3i n ALA 54 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2b3i h LEU 55 N 0.00 0.00 -8.67 0.00 3.38 -1.19 -3.43 115.31 105.40 2b3i h LEU 55 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 2b3i h LEU 55 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2b3i h LEU 55 CO 0.00 0.14 1.31 -1.54 0.09 0.00 0.00 178.44 178.44 2b3i n SER 56 N -3.43 2.22 -4.44 -0.43 3.41 -1.18 -4.88 113.62 104.88 2b3i n SER 56 Ca -0.01 0.58 -0.44 0.00 -0.26 0.00 0.00 58.87 58.74 2b3i n SER 56 Cb 0.32 -1.23 -0.06 0.00 -0.26 0.00 0.00 64.21 62.98 2b3i n SER 56 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2b3i s ASN 57 N 6.39 6.23 -0.38 4.04 3.84 -0.98 -4.92 114.94 129.15 2b3i s ASN 57 Ca 1.07 -0.92 -0.03 0.00 0.21 0.00 0.00 52.86 53.20 2b3i s ASN 57 Cb -0.91 -2.30 0.13 0.00 -0.55 0.00 0.00 41.25 37.62 2b3i s ASN 57 CO 0.53 -0.92 2.44 1.07 -2.79 0.00 0.00 177.10 177.43 2b3i n THR 58 N 5.64 3.06 -3.35 -5.21 5.66 -1.26 -3.64 114.28 115.17 2b3i n THR 58 Ca -0.06 -2.31 -0.26 0.00 -3.05 0.00 0.00 64.05 58.37 2b3i n THR 58 Cb 0.45 -1.48 -0.08 0.00 -1.55 0.00 0.00 70.33 67.67 2b3i n THR 58 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2b3i n LYS 59 N 0.65 1.04 -1.50 1.09 4.81 -1.26 -5.10 118.16 117.89 2b3i n LYS 59 Ca 0.40 -3.61 -0.58 0.00 -0.87 0.00 0.00 58.31 53.65 2b3i n LYS 59 Cb 0.58 -1.63 -0.08 0.00 0.02 0.00 0.00 35.03 33.93 2b3i n LYS 59 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 2b3i n LEU 60 N 1.70 0.07 -4.26 3.14 -0.00 -1.26 -4.91 117.00 111.48 2b3i n LEU 60 Ca 0.25 1.16 -0.35 0.00 -0.00 0.00 0.00 56.01 57.06 2b3i n LEU 60 Cb 0.48 -0.94 -0.14 0.00 -0.00 0.00 0.00 43.42 42.82 2b3i n LEU 60 CO 0.21 -1.88 -0.36 0.00 -0.00 0.00 0.00 177.39 175.35 2b3i s ALA 61 N -0.00 2.83 -0.12 1.47 0.00 -1.21 -4.98 121.76 119.74 2b3i s ALA 61 Ca 0.89 -1.41 -0.27 0.00 0.00 0.00 0.00 51.96 51.17 2b3i s ALA 61 Cb -1.23 -1.83 -0.27 0.00 0.00 0.00 0.00 23.12 19.79 2b3i s ALA 61 CO 0.56 -0.78 0.80 0.97 0.00 0.00 0.00 175.76 177.32 2b3i h ILE 62 N 5.98 1.73 -0.24 0.00 6.09 -1.91 -3.37 117.51 125.80 2b3i h ILE 62 Ca -0.34 -2.38 -0.55 0.00 -1.37 0.00 0.00 64.86 60.22 2b3i h ILE 62 Cb 1.12 3.34 -0.07 0.00 0.47 0.00 0.00 36.82 41.69 2b3i h ILE 62 CO 0.59 0.63 1.66 0.00 -3.07 0.00 0.00 178.15 177.96 2b3i n ALA 63 N -2.62 0.38 -2.40 0.18 0.00 -1.26 -4.82 120.51 109.96 2b3i n ALA 63 Ca -0.11 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 2b3i n ALA 63 Cb 0.56 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 2b3i n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2b3i s PRO 64 N 8.28 4.47 0.00 0.00 0.04 -1.26 -4.54 135.00 141.99 2b3i s PRO 64 Ca 1.28 1.73 0.00 0.00 0.04 0.00 0.00 61.00 64.04 2b3i s PRO 64 Cb -1.15 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 30.04 2b3i s PRO 64 CO 0.49 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.75 2b3i n GLY 65 N 3.01 -0.50 0.00 0.56 0.00 -1.26 -5.09 105.19 101.91 2b3i n GLY 65 Ca 0.08 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2b3i n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2b3i n SER 66 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.80 113.62 112.57 2b3i n SER 66 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2b3i n SER 66 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2b3i n SER 66 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2b3i n PHE 67 N 0.00 0.00 0.00 7.33 3.72 -0.15 -4.92 117.46 123.44 2b3i n PHE 67 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2b3i n PHE 67 Cb 0.00 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.31 2b3i n PHE 67 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2b3i n TYR 68 N -1.97 0.00 -4.41 1.38 0.18 -1.16 -5.03 117.16 106.15 2b3i n TYR 68 Ca 0.00 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.54 2b3i n TYR 68 Cb 0.00 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 38.85 2b3i n TYR 68 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2b3i s SER 69 N 0.00 3.24 -0.17 9.48 1.04 -1.26 -1.51 113.70 124.52 2b3i s SER 69 Ca 0.00 -0.91 -0.13 0.00 0.48 0.00 0.00 55.95 55.38 2b3i s SER 69 Cb 0.00 -0.23 0.05 0.00 0.10 0.00 0.00 66.02 65.93 2b3i s SER 69 CO 0.00 0.05 0.43 0.68 0.98 0.00 0.00 173.24 175.37 2b3i s VAL 70 N -2.05 -0.01 0.09 5.02 -7.23 -1.19 -4.99 120.40 110.04 2b3i s VAL 70 Ca 0.22 0.03 -0.15 0.00 -1.81 0.00 0.00 61.98 60.27 2b3i s VAL 70 Cb -0.06 -0.61 -0.06 0.00 0.56 0.00 0.00 36.38 36.20 2b3i s VAL 70 CO 0.10 0.01 0.50 -0.89 -0.31 0.00 0.00 175.10 174.51 2b3i s THR 71 N 0.60 4.91 0.45 5.32 2.01 -1.26 -1.34 115.64 126.32 2b3i s THR 71 Ca -0.03 0.86 0.05 0.00 0.31 0.00 0.00 61.69 62.88 2b3i s THR 71 Cb -0.05 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2b3i s THR 71 CO -0.04 0.40 0.09 -0.76 -0.69 0.00 0.00 174.62 173.62 2b3i s LEU 72 N -1.56 2.78 0.10 4.42 1.43 -0.56 -4.99 118.68 120.31 2b3i s LEU 72 Ca 0.32 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 2b3i s LEU 72 Cb -0.16 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.02 2b3i s LEU 72 CO 0.18 -0.64 0.00 0.61 0.23 0.00 0.00 176.35 176.73 2b3i n GLY 73 N -1.19 -0.75 3.65 -3.19 0.00 -1.26 -1.48 105.19 100.97 2b3i n GLY 73 Ca -0.07 0.11 -0.57 0.00 0.00 0.00 0.00 46.02 45.48 2b3i n GLY 73 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2b3i n THR 74 N -2.73 0.13 -2.52 2.61 -1.04 -1.26 -4.28 114.28 105.19 2b3i n THR 74 Ca 0.00 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.59 2b3i n THR 74 Cb 0.00 -0.85 -0.04 0.00 -1.82 0.00 0.00 70.33 67.62 2b3i n THR 74 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2b3i s PRO 75 N 2.08 4.62 0.00 -2.82 0.04 -1.26 -4.63 135.00 133.03 2b3i s PRO 75 Ca 0.94 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2b3i s PRO 75 Cb -1.12 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 30.29 2b3i s PRO 75 CO 0.61 0.21 0.00 0.41 0.04 0.00 0.00 177.00 178.27 2b3i n GLY 76 N 1.14 1.01 3.53 0.56 0.00 -1.22 -4.94 105.19 105.28 2b3i n GLY 76 Ca -0.01 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 2b3i n GLY 76 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2b3i s THR 77 N -1.26 4.53 -0.06 2.61 -1.32 -1.26 -1.46 115.64 117.42 2b3i s THR 77 Ca 0.00 -0.11 -0.08 0.00 -1.21 0.00 0.00 61.69 60.29 2b3i s THR 77 Cb 0.00 -3.08 -0.05 0.00 -1.51 0.00 0.00 72.50 67.86 2b3i s THR 77 CO 0.00 0.39 0.23 -0.31 -2.21 0.00 0.00 174.62 172.71 2b3i s TYR 78 N 1.09 3.62 0.12 9.09 2.02 0.54 -4.71 117.35 129.10 2b3i s TYR 78 Ca 0.04 0.62 0.10 0.00 -0.37 0.00 0.00 57.07 57.46 2b3i s TYR 78 Cb -0.14 -2.01 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 2b3i s TYR 78 CO 0.03 0.68 -0.25 -1.12 -1.57 0.00 0.00 175.55 173.32 2b3i s SER 79 N -1.27 3.41 0.26 2.29 0.01 -1.24 -0.75 113.70 116.39 2b3i s SER 79 Ca 0.21 -0.69 -0.14 0.00 1.31 0.00 0.00 55.95 56.64 2b3i s SER 79 Cb -0.13 -0.29 0.05 0.00 0.21 0.00 0.00 66.02 65.86 2b3i s SER 79 CO 0.10 0.19 0.72 2.22 0.41 0.00 0.00 173.24 176.88 2b3i n PHE 80 N 1.01 -1.77 -3.51 2.43 -1.74 -1.01 0.20 117.46 113.06 2b3i n PHE 80 Ca -0.17 -1.33 -0.05 0.00 -0.56 0.00 0.00 57.45 55.34 2b3i n PHE 80 Cb 0.53 0.66 0.02 0.00 1.52 0.00 0.00 39.48 42.20 2b3i n PHE 80 CO 0.00 0.00 0.00 2.48 -0.56 0.00 0.00 176.76 178.68 2b3i n TYR 81 N -0.49 -1.71 -3.79 2.97 0.18 0.17 -3.27 117.16 111.20 2b3i n TYR 81 Ca -0.05 -1.07 -0.30 0.00 1.88 0.00 0.00 57.90 58.36 2b3i n TYR 81 Cb 0.48 0.53 -0.14 0.00 -0.38 0.00 0.00 39.34 39.83 2b3i n TYR 81 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2b3i n THR 83 N 4.14 -0.22 -2.44 0.00 -1.04 -1.26 -2.37 114.28 111.09 2b3i n THR 83 Ca 0.03 0.82 -0.42 0.00 -2.04 0.00 0.00 64.05 62.44 2b3i n THR 83 Cb 0.38 -1.04 -0.03 0.00 -1.82 0.00 0.00 70.33 67.83 2b3i n THR 83 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2b3i s PRO 84 N -5.23 4.36 0.00 -2.82 0.04 -1.26 -2.29 135.00 127.80 2b3i s PRO 84 Ca -0.04 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2b3i s PRO 84 Cb 0.05 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 31.06 2b3i s PRO 84 CO 0.22 -0.42 0.00 0.72 0.04 0.00 0.00 177.00 177.56 2b3i n HIS 85 N 5.00 0.00 -0.32 0.56 8.25 -1.25 -4.90 115.22 122.56 2b3i n HIS 85 Ca 0.11 0.00 0.30 0.00 -0.26 0.00 0.00 57.72 57.86 2b3i n HIS 85 Cb 0.46 0.00 0.55 0.00 1.12 0.00 0.00 29.99 32.12 2b3i n HIS 85 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2b3i n ARG 86 N -2.00 -0.06 -0.03 -0.41 1.85 -0.97 0.22 116.66 115.26 2b3i n ARG 86 Ca 0.00 1.38 -0.15 0.00 -1.00 0.00 0.00 57.85 58.08 2b3i n ARG 86 Cb 0.00 -2.45 -0.05 0.00 -1.05 0.00 0.00 32.46 28.92 2b3i n ARG 86 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2b3i h GLY 87 N 0.00 0.85 1.98 2.89 0.00 -1.89 -2.77 103.07 104.14 2b3i h GLY 87 Ca 0.82 -1.13 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2b3i h GLY 87 CO -0.78 1.01 0.01 0.00 0.00 0.00 0.00 176.54 176.77 2b3i h ALA 88 N 0.65 1.01 -0.74 3.60 0.00 0.23 -3.45 119.26 120.56 2b3i h ALA 88 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2b3i h ALA 88 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2b3i h ALA 88 CO 0.14 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.80 2b3i n GLY 89 N -1.20 -0.20 2.48 0.00 0.00 -0.39 -4.94 105.19 100.95 2b3i n GLY 89 Ca -0.02 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 2b3i n GLY 89 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2b3i s MET 90 N -0.55 1.02 0.09 1.61 0.00 -1.25 -4.41 119.30 115.81 2b3i s MET 90 Ca 0.00 -2.07 0.10 0.00 0.00 0.00 0.00 55.69 53.71 2b3i s MET 90 Cb 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 34.83 33.13 2b3i s MET 90 CO 0.00 -1.33 -0.26 0.14 0.00 0.00 0.00 175.02 173.58 2b3i s VAL 91 N 0.13 2.11 0.05 10.11 -7.23 -1.26 -2.95 120.40 121.36 2b3i s VAL 91 Ca 0.28 -1.54 -0.10 0.00 -1.81 0.00 0.00 61.98 58.80 2b3i s VAL 91 Cb -0.04 -1.85 0.01 0.00 0.56 0.00 0.00 36.38 35.06 2b3i s VAL 91 CO -0.14 0.20 0.23 -0.83 -0.31 0.00 0.00 175.10 174.24 2b3i s GLY 92 N -1.64 -0.00 0.11 2.32 0.00 -1.20 -4.47 107.32 102.44 2b3i s GLY 92 Ca 0.12 -0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.61 2b3i s GLY 92 CO 0.04 -0.45 -0.08 -1.59 0.00 0.00 0.00 173.10 171.02 2b3i s THR 93 N -2.80 0.87 -0.04 0.90 2.01 -1.01 -2.40 115.64 113.17 2b3i s THR 93 Ca -0.03 -1.94 -0.01 0.00 0.31 0.00 0.00 61.69 60.02 2b3i s THR 93 Cb 0.00 -1.69 0.03 0.00 0.01 0.00 0.00 72.50 70.85 2b3i s THR 93 CO -0.05 -0.80 0.08 -0.63 -0.69 0.00 0.00 174.62 172.53 2b3i s ILE 94 N -3.38 -0.05 0.03 1.82 1.01 0.07 -1.09 121.20 119.60 2b3i s ILE 94 Ca 0.12 0.18 0.05 0.00 0.00 0.00 0.00 60.65 61.01 2b3i s ILE 94 Cb 0.03 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.32 2b3i s ILE 94 CO -0.03 0.07 -0.12 -0.89 0.00 0.00 0.00 174.94 173.98 2b3i s THR 95 N 1.02 3.27 -0.58 2.92 2.01 0.86 0.20 115.64 125.34 2b3i s THR 95 Ca -0.08 -1.00 0.05 0.00 0.31 0.00 0.00 61.69 60.97 2b3i s THR 95 Cb -0.11 -2.42 0.20 0.00 0.01 0.00 0.00 72.50 70.17 2b3i s THR 95 CO -0.04 0.34 0.53 0.52 -0.69 0.00 0.00 174.62 175.27 2b3i n VAL 96 N 1.44 0.87 1.00 3.82 0.31 -0.53 0.19 118.33 125.43 2b3i n VAL 96 Ca -0.15 -4.52 0.08 0.00 -0.01 0.00 0.00 64.34 59.74 2b3i n VAL 96 Cb 0.52 -2.02 0.48 0.00 -0.91 0.00 0.00 33.84 31.91 2b3i n VAL 96 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72