#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 -7.18 -4.71 0.00 3.41 -1.26 -5.02 113.62 98.85 2b3i n SER 2 Ca 0.00 0.88 -0.26 0.00 -0.26 0.00 0.00 58.87 59.23 2b3i n SER 2 Cb 0.00 -3.29 -0.08 0.00 -0.26 0.00 0.00 64.21 60.58 2b3i n SER 2 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2b3i s VAL 3 N -1.27 2.09 0.15 -3.33 -7.23 -1.17 -5.02 120.40 104.62 2b3i s VAL 3 Ca -0.00 -1.80 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 2b3i s VAL 3 Cb 0.00 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 2b3i s VAL 3 CO 0.36 0.00 0.02 0.00 -0.31 0.00 0.00 175.10 175.17 2b3i s GLN 4 N -3.86 1.03 -0.17 4.82 -2.07 -1.26 0.19 119.66 118.34 2b3i s GLN 4 Ca 0.36 -1.49 0.01 0.00 -1.82 0.00 0.00 55.36 52.42 2b3i s GLN 4 Cb 0.05 -0.08 0.03 0.00 -1.09 0.00 0.00 33.01 31.92 2b3i s GLN 4 CO 0.20 -0.17 -0.13 0.42 -1.32 0.00 0.00 175.29 174.28 2b3i s ILE 5 N -3.79 1.67 -0.16 3.63 -1.09 0.50 -4.47 121.20 117.49 2b3i s ILE 5 Ca 0.23 -0.83 -0.10 0.00 -2.23 0.00 0.00 60.65 57.73 2b3i s ILE 5 Cb 0.07 -1.63 -0.05 0.00 -1.58 0.00 0.00 42.46 39.27 2b3i s ILE 5 CO 0.03 0.35 0.17 -0.54 -1.23 0.00 0.00 174.94 173.72 2b3i s LYS 6 N 1.42 3.93 -0.49 2.79 1.02 0.49 0.14 119.74 129.06 2b3i s LYS 6 Ca 0.02 -0.12 -0.11 0.00 0.02 0.00 0.00 55.97 55.79 2b3i s LYS 6 Cb -0.14 -3.33 0.12 0.00 -0.52 0.00 0.00 37.83 33.96 2b3i s LYS 6 CO -0.10 0.47 0.39 -1.64 -0.92 0.00 0.00 175.35 173.55 2b3i s MET 7 N -0.16 2.61 0.00 1.68 -1.94 0.52 0.40 119.30 122.42 2b3i s MET 7 Ca 0.12 -1.76 0.00 0.00 -1.71 0.00 0.00 55.69 52.35 2b3i s MET 7 Cb -0.12 -4.02 0.00 0.00 2.01 0.00 0.00 34.83 32.70 2b3i s MET 7 CO 0.02 -1.23 0.00 0.41 -0.01 0.00 0.00 175.02 174.20 2b3i n GLY 8 N 4.99 3.03 3.76 -0.03 0.00 0.87 -0.31 105.19 117.50 2b3i n GLY 8 Ca -0.09 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.56 3.94 -0.05 2.61 -4.23 0.14 -4.58 115.64 111.91 2b3i s THR 9 Ca 0.00 -1.59 0.26 0.00 -1.18 0.00 0.00 61.69 59.17 2b3i s THR 9 Cb 0.00 -3.17 0.26 0.00 1.34 0.00 0.00 72.50 70.93 2b3i s THR 9 CO 0.00 -0.33 1.79 -0.78 -0.54 0.00 0.00 174.62 174.76 2b3i h ASP 10 N 1.61 0.00 -0.54 3.99 1.82 -1.99 -1.40 116.42 119.91 2b3i h ASP 10 Ca -0.46 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 55.81 2b3i h ASP 10 Cb 1.24 0.00 -0.16 0.00 0.68 0.00 0.00 39.33 41.10 2b3i h ASP 10 CO 0.61 0.00 0.47 1.17 -1.61 0.00 0.00 179.24 179.88 2b3i n LYS 11 N -2.40 1.90 -2.31 0.28 4.81 -1.26 -4.80 118.16 114.38 2b3i n LYS 11 Ca -0.02 -1.76 0.00 0.00 -0.87 0.00 0.00 58.31 55.66 2b3i n LYS 11 Cb 0.04 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.40 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 0.19 -1.81 -3.67 5.64 4.02 -0.53 -4.84 117.16 116.16 2b3i n TYR 12 Ca 0.34 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.85 2b3i n TYR 12 Cb 0.60 -0.91 -0.12 0.00 -0.02 0.00 0.00 39.34 38.89 2b3i n TYR 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2b3i s ALA 13 N -1.81 3.28 -0.82 -0.72 0.00 -1.20 -4.92 121.76 115.56 2b3i s ALA 13 Ca 0.00 -1.30 -0.25 0.00 0.00 0.00 0.00 51.96 50.40 2b3i s ALA 13 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.80 2b3i s ALA 13 CO 0.00 -0.78 1.63 -1.25 0.00 0.00 0.00 175.76 175.36 2b3i s PRO 14 N 1.63 3.00 0.01 0.00 0.04 -1.26 0.25 135.00 138.67 2b3i s PRO 14 Ca 0.05 -0.27 -0.14 0.00 0.04 0.00 0.00 61.00 60.69 2b3i s PRO 14 Cb -0.17 -4.74 0.02 0.00 0.04 0.00 0.00 34.50 29.65 2b3i s PRO 14 CO 0.06 -2.61 0.29 -0.48 0.04 0.00 0.00 177.00 174.30 2b3i s LEU 15 N 7.42 0.94 -0.02 -3.56 0.05 -1.26 -4.23 118.68 118.02 2b3i s LEU 15 Ca 0.54 -0.07 -0.30 0.00 0.05 0.00 0.00 54.13 54.35 2b3i s LEU 15 Cb -0.07 1.24 -0.03 0.00 -2.05 0.00 0.00 46.19 45.28 2b3i s LEU 15 CO 0.06 -0.52 1.07 -0.31 -0.55 0.00 0.00 176.35 176.10 2b3i s TYR 16 N -1.91 3.51 -0.03 3.48 2.02 -1.26 -0.09 117.35 123.07 2b3i s TYR 16 Ca -0.10 1.52 0.02 0.00 -0.37 0.00 0.00 57.07 58.15 2b3i s TYR 16 Cb -0.03 -3.24 0.01 0.00 -0.40 0.00 0.00 41.96 38.29 2b3i s TYR 16 CO 0.01 -0.52 -0.09 -2.00 -1.57 0.00 0.00 175.55 171.38 2b3i s GLU 17 N 1.42 1.03 0.32 -0.62 2.12 0.16 -1.74 118.70 121.39 2b3i s GLU 17 Ca 0.53 -0.29 -0.28 0.00 0.36 0.00 0.00 54.97 55.30 2b3i s GLU 17 Cb -0.23 -0.95 -0.09 0.00 0.26 0.00 0.00 34.13 33.12 2b3i s GLU 17 CO 0.25 0.07 1.07 -1.25 -0.54 0.00 0.00 175.26 174.87 2b3i s PRO 18 N 0.35 4.49 0.34 4.30 0.04 -1.26 0.19 135.00 143.45 2b3i s PRO 18 Ca -0.06 1.68 0.14 0.00 0.04 0.00 0.00 61.00 62.80 2b3i s PRO 18 Cb -0.10 -2.97 1.06 0.00 0.04 0.00 0.00 34.50 32.52 2b3i s PRO 18 CO 0.01 0.11 1.67 -0.22 0.04 0.00 0.00 177.00 178.61 2b3i h LYS 19 N 3.38 0.36 -6.59 4.56 1.63 -1.67 -3.38 116.57 114.86 2b3i h LYS 19 Ca -0.47 -0.02 -0.70 0.00 -0.85 0.00 0.00 60.65 58.61 2b3i h LYS 19 Cb 1.21 -0.08 -0.27 0.00 -0.60 0.00 0.00 32.23 32.49 2b3i h LYS 19 CO 0.65 0.24 -0.86 0.00 -3.45 0.00 0.00 179.45 176.03 2b3i s ALA 20 N -5.68 2.30 -0.04 5.00 0.00 -1.26 -2.00 121.76 120.08 2b3i s ALA 20 Ca -0.10 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 50.69 2b3i s ALA 20 Cb 0.30 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.81 2b3i s ALA 20 CO 0.79 0.54 0.11 -1.17 0.00 0.00 0.00 175.76 176.03 2b3i s LEU 21 N -0.83 1.53 0.02 0.00 2.96 -0.89 -4.95 118.68 116.51 2b3i s LEU 21 Ca 0.11 0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.28 2b3i s LEU 21 Cb -0.10 0.36 -0.02 0.00 0.50 0.00 0.00 46.19 46.94 2b3i s LEU 21 CO 0.00 -0.05 -0.13 -0.55 -1.32 0.00 0.00 176.35 174.30 2b3i s SER 22 N 0.14 1.57 0.19 3.68 0.15 -1.26 -1.09 113.70 117.09 2b3i s SER 22 Ca -0.01 -0.35 -0.03 0.00 0.70 0.00 0.00 55.95 56.26 2b3i s SER 22 Cb -0.02 -0.13 0.01 0.00 -1.71 0.00 0.00 66.02 64.17 2b3i s SER 22 CO -0.00 0.09 0.31 2.30 1.20 0.00 0.00 173.24 177.13 2b3i n ILE 23 N 2.31 0.00 -4.32 6.45 -5.35 0.50 -4.82 119.36 114.12 2b3i n ILE 23 Ca -0.16 -0.83 -0.21 0.00 -0.27 0.00 0.00 62.75 61.28 2b3i n ILE 23 Cb 0.55 0.57 -0.03 0.00 -1.74 0.00 0.00 39.64 38.99 2b3i n ILE 23 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2b3i n SER 24 N -1.70 2.75 -4.55 7.28 2.88 -1.26 0.20 113.62 119.21 2b3i n SER 24 Ca -0.01 -2.42 -0.42 0.00 -1.33 0.00 0.00 58.87 54.69 2b3i n SER 24 Cb 0.31 0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 63.92 2b3i n SER 24 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b3i s ALA 25 N -2.57 2.89 0.00 -1.46 0.00 -1.26 -2.67 121.76 116.70 2b3i s ALA 25 Ca 0.05 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2b3i s ALA 25 Cb -0.00 -4.11 0.00 0.00 0.00 0.00 0.00 23.12 19.00 2b3i s ALA 25 CO 0.03 -2.96 0.00 0.41 0.00 0.00 0.00 175.76 173.24 2b3i n GLY 26 N 5.24 0.98 3.86 0.00 0.00 0.25 -4.91 105.19 110.61 2b3i n GLY 26 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.90 3.36 0.26 1.61 1.11 -1.09 -4.69 116.67 116.33 2b3i s ASP 27 Ca 0.00 0.60 0.11 0.00 0.18 0.00 0.00 52.55 53.44 2b3i s ASP 27 Cb 0.00 -0.90 -0.05 0.00 1.07 0.00 0.00 42.92 43.04 2b3i s ASP 27 CO 0.00 -2.61 -0.18 -0.89 1.18 0.00 0.00 175.17 172.67 2b3i s THR 28 N -3.58 2.26 -0.25 -1.27 2.01 -1.26 -0.49 115.64 113.06 2b3i s THR 28 Ca 0.68 -2.35 -0.03 0.00 0.31 0.00 0.00 61.69 60.30 2b3i s THR 28 Cb -0.09 -2.24 0.08 0.00 0.01 0.00 0.00 72.50 70.27 2b3i s THR 28 CO 0.52 -0.45 0.09 -0.69 -0.69 0.00 0.00 174.62 173.40 2b3i s VAL 29 N -2.65 0.31 0.78 3.82 1.01 0.62 -3.02 120.40 121.27 2b3i s VAL 29 Ca 0.28 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 2b3i s VAL 29 Cb -0.04 -1.09 0.06 0.00 0.00 0.00 0.00 36.38 35.32 2b3i s VAL 29 CO 0.13 -0.51 1.15 -0.70 0.00 0.00 0.00 175.10 175.17 2b3i s GLU 30 N 1.93 2.20 -0.14 2.72 2.12 0.13 -2.95 118.70 124.70 2b3i s GLU 30 Ca 0.05 0.26 -0.06 0.00 0.36 0.00 0.00 54.97 55.58 2b3i s GLU 30 Cb -0.17 -1.96 0.06 0.00 0.26 0.00 0.00 34.13 32.32 2b3i s GLU 30 CO -0.22 -1.46 0.32 -0.06 -0.54 0.00 0.00 175.26 173.30 2b3i s PHE 31 N -3.47 -0.51 0.06 5.30 0.40 -0.71 0.19 117.98 119.24 2b3i s PHE 31 Ca 0.61 1.10 0.02 0.00 -0.60 0.00 0.00 56.93 58.06 2b3i s PHE 31 Cb -0.11 0.12 -0.03 0.00 0.51 0.00 0.00 43.02 43.51 2b3i s PHE 31 CO 0.50 -0.34 -0.08 0.54 0.70 0.00 0.00 175.22 176.54 2b3i s VAL 32 N 1.91 0.62 -0.30 -0.44 0.11 0.38 -0.69 120.40 122.00 2b3i s VAL 32 Ca -0.05 -1.26 -0.14 0.00 -2.93 0.00 0.00 61.98 57.60 2b3i s VAL 32 Cb -0.11 -0.85 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2b3i s VAL 32 CO -0.10 -0.46 0.33 -0.04 -3.33 0.00 0.00 175.10 171.50 2b3i s MET 33 N -2.02 3.85 -0.03 1.54 -1.94 -0.74 -0.35 119.30 119.61 2b3i s MET 33 Ca -0.05 -0.19 -0.03 0.00 -1.71 0.00 0.00 55.69 53.71 2b3i s MET 33 Cb -0.07 -3.71 -0.02 0.00 2.01 0.00 0.00 34.83 33.04 2b3i s MET 33 CO -0.00 -0.34 0.26 -0.91 -0.01 0.00 0.00 175.02 174.01 2b3i h ASN 34 N 8.31 -0.09 -0.37 3.03 4.21 -0.91 -3.39 115.58 126.36 2b3i h ASN 34 Ca -0.32 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.20 2b3i h ASN 34 Cb 1.16 0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 2b3i h ASN 34 CO 0.64 0.09 0.00 2.29 -1.29 0.00 0.00 177.43 179.16 2b3i n LYS 35 N -3.15 0.00 -3.97 0.81 2.85 -1.00 -5.00 118.16 108.70 2b3i n LYS 35 Ca -0.01 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.96 2b3i n LYS 35 Cb 0.04 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.40 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 -3.18 -1.88 0.58 3.14 -1.26 -4.47 118.33 111.25 2b3i n VAL 36 Ca 0.00 -0.58 -0.00 0.00 -2.96 0.00 0.00 64.34 60.79 2b3i n VAL 36 Cb 0.00 -2.65 0.00 0.00 -1.06 0.00 0.00 33.84 30.13 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 -2.04 0.21 0.58 7.55 0.00 -1.26 -4.83 105.19 105.40 2b3i n GLY 37 Ca -0.26 -1.87 -0.05 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.03 -0.77 -1.68 1.61 -0.04 -1.26 -5.13 135.00 126.69 2b3i n PRO 38 Ca 0.00 -0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 2b3i n PRO 38 Cb 0.01 -0.24 0.00 0.00 -0.04 0.00 0.00 33.50 33.23 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 -2.58 -0.26 0.00 0.54 8.25 -1.25 -4.88 115.22 115.04 2b3i n HIS 39 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2b3i n HIS 39 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2b3i n HIS 39 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2b3i n ASN 40 N -2.40 0.00 -4.30 0.41 0.23 -1.26 -2.98 115.26 104.96 2b3i n ASN 40 Ca 0.00 0.00 -0.37 0.00 -0.53 0.00 0.00 54.58 53.68 2b3i n ASN 40 Cb 0.00 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.57 2b3i n ASN 40 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2b3i s VAL 41 N -2.00 3.70 -0.46 3.53 1.01 -1.22 -4.72 120.40 120.24 2b3i s VAL 41 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.19 2b3i s VAL 41 Cb 0.00 -2.95 0.25 0.00 0.00 0.00 0.00 36.38 33.68 2b3i s VAL 41 CO 0.00 0.05 0.57 -0.38 0.00 0.00 0.00 175.10 175.34 2b3i n ILE 42 N 4.81 0.13 -0.97 2.22 2.08 -1.21 -0.62 119.36 125.81 2b3i n ILE 42 Ca -0.14 -4.32 -0.35 0.00 0.56 0.00 0.00 62.75 58.50 2b3i n ILE 42 Cb 0.47 -1.99 0.04 0.00 -0.75 0.00 0.00 39.64 37.41 2b3i n ILE 42 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2b3i n PHE 43 N 1.32 -4.92 -0.12 1.39 3.01 -1.26 -3.29 117.46 113.59 2b3i n PHE 43 Ca 0.24 -0.02 -0.24 0.00 1.01 0.00 0.00 57.45 58.43 2b3i n PHE 43 Cb 0.49 -1.38 -0.11 0.00 -0.01 0.00 0.00 39.48 38.48 2b3i n PHE 43 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2b3i n ASP 44 N 3.30 1.89 0.00 4.37 -0.08 0.46 -4.71 116.55 121.78 2b3i n ASP 44 Ca -0.02 0.39 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 2b3i n ASP 44 Cb 0.53 -0.92 0.00 0.00 2.34 0.00 0.00 41.12 43.07 2b3i n ASP 44 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2b3i n LYS 45 N -4.37 0.00 -4.27 -0.67 5.02 -1.12 -4.88 118.16 107.87 2b3i n LYS 45 Ca -0.39 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.74 2b3i n LYS 45 Cb 0.75 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.66 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 -1.97 1.31 0.73 -0.18 -7.23 -1.26 -3.60 120.40 108.20 2b3i s VAL 46 Ca 0.00 -2.03 -0.11 0.00 -1.81 0.00 0.00 61.98 58.03 2b3i s VAL 46 Cb 0.00 -1.83 0.03 0.00 0.56 0.00 0.00 36.38 35.14 2b3i s VAL 46 CO 0.00 -0.66 1.07 -2.16 -0.31 0.00 0.00 175.10 173.05 2b3i s PRO 47 N -3.52 2.66 0.08 4.82 0.04 -1.26 -4.80 135.00 133.01 2b3i s PRO 47 Ca 0.16 0.86 -0.33 0.00 0.04 0.00 0.00 61.00 61.73 2b3i s PRO 47 Cb 0.00 -1.97 -0.18 0.00 0.04 0.00 0.00 34.50 32.40 2b3i s PRO 47 CO 0.02 -1.27 0.78 0.00 0.04 0.00 0.00 177.00 176.57 2b3i n ALA 48 N -3.23 -3.17 0.00 8.56 0.00 -1.26 -3.59 120.51 117.82 2b3i n ALA 48 Ca 0.07 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2b3i n ALA 48 Cb 0.54 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 1.63 3.15 0.38 0.00 0.00 -1.26 -4.91 105.19 104.18 2b3i n GLY 49 Ca 0.18 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 1.52 -3.62 1.61 4.07 -1.24 -4.86 120.64 118.12 2b3i n GLU 50 Ca 0.00 -0.36 -0.27 0.00 -0.06 0.00 0.00 57.16 56.47 2b3i n GLU 50 Cb 0.00 0.05 -0.11 0.00 -0.06 0.00 0.00 31.44 31.33 2b3i n GLU 50 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2b3i n SER 51 N -1.76 1.64 -0.14 4.31 7.64 -1.26 -4.93 113.62 119.12 2b3i n SER 51 Ca -0.01 -2.90 -0.04 0.00 1.01 0.00 0.00 58.87 56.93 2b3i n SER 51 Cb 0.06 -0.67 0.02 0.00 -1.01 0.00 0.00 64.21 62.62 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 5.25 0.21 0.00 -0.43 0.00 -1.94 -1.57 119.26 120.79 2b3i h ALA 52 Ca 0.19 0.17 -0.19 0.00 0.00 0.00 0.00 54.91 55.08 2b3i h ALA 52 Cb 0.81 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 2b3i h ALA 52 CO 0.59 -0.50 0.23 -0.35 0.00 0.00 0.00 179.25 179.21 2b3i n PRO 53 N -5.37 1.66 0.00 0.00 -0.04 -1.26 -2.74 135.00 127.26 2b3i n PRO 53 Ca 0.03 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 2b3i n PRO 53 Cb 0.27 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 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 2.78 0.59 0.07 0.55 0.00 -0.61 -4.89 120.51 119.00 2b3i n ALA 54 Ca 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.78 2b3i n ALA 54 Cb 0.63 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.32 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 0.32 -8.86 0.00 3.38 -1.31 -3.42 115.31 105.42 2b3i h LEU 55 Ca 0.00 -0.12 -0.64 0.00 0.09 0.00 0.00 57.88 57.21 2b3i h LEU 55 Cb 0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2b3i h LEU 55 CO 0.00 0.64 1.34 -1.54 0.09 0.00 0.00 178.44 178.97 2b3i n SER 56 N -4.09 2.76 -4.51 -0.43 3.41 -1.19 -4.93 113.62 104.64 2b3i n SER 56 Ca -0.01 0.52 -0.34 0.00 -0.26 0.00 0.00 58.87 58.78 2b3i n SER 56 Cb 0.43 -1.36 -0.12 0.00 -0.26 0.00 0.00 64.21 62.90 2b3i n SER 56 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2b3i s ASN 57 N 6.64 4.88 -0.26 4.04 0.01 0.21 -4.92 114.94 125.55 2b3i s ASN 57 Ca 1.03 -0.11 0.02 0.00 -0.71 0.00 0.00 52.86 53.08 2b3i s ASN 57 Cb -0.69 -1.80 0.36 0.00 0.41 0.00 0.00 41.25 39.53 2b3i s ASN 57 CO 0.47 0.16 1.54 1.07 -1.51 0.00 0.00 177.10 178.83 2b3i n THR 58 N 3.59 2.27 -1.50 1.60 5.66 -1.26 -3.38 114.28 121.26 2b3i n THR 58 Ca -0.17 -1.12 -0.30 0.00 -3.05 0.00 0.00 64.05 59.42 2b3i n THR 58 Cb 0.52 -0.75 -0.06 0.00 -1.55 0.00 0.00 70.33 68.50 2b3i n THR 58 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2b3i n LYS 59 N -0.38 3.17 -1.72 1.09 2.85 -1.26 -4.95 118.16 116.96 2b3i n LYS 59 Ca 0.33 -2.36 -0.66 0.00 -1.05 0.00 0.00 58.31 54.58 2b3i n LYS 59 Cb 1.12 -2.36 -0.10 0.00 -0.65 0.00 0.00 35.03 33.04 2b3i n LYS 59 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2b3i n LEU 60 N 1.90 1.41 -4.53 -5.58 -0.00 -1.26 -4.84 117.00 104.11 2b3i n LEU 60 Ca 0.57 1.14 -0.43 0.00 -0.00 0.00 0.00 56.01 57.29 2b3i n LEU 60 Cb 0.49 -0.93 -0.06 0.00 -0.00 0.00 0.00 43.42 42.92 2b3i n LEU 60 CO 0.47 -0.76 0.50 0.00 -0.00 0.00 0.00 177.39 177.61 2b3i s ALA 61 N 3.25 3.31 -0.05 1.47 0.00 -1.16 -4.92 121.76 123.67 2b3i s ALA 61 Ca 1.04 -1.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.64 2b3i s ALA 61 Cb -1.42 -3.42 -0.21 0.00 0.00 0.00 0.00 23.12 18.07 2b3i s ALA 61 CO 0.78 -1.90 1.14 0.82 0.00 0.00 0.00 175.76 176.60 2b3i h ILE 62 N 5.94 1.40 -4.01 0.00 1.08 -1.90 -3.34 117.51 116.69 2b3i h ILE 62 Ca -0.25 -1.36 -0.50 0.00 -0.39 0.00 0.00 64.86 62.36 2b3i h ILE 62 Cb 1.09 2.30 0.06 0.00 -3.07 0.00 0.00 36.82 37.20 2b3i h ILE 62 CO 0.94 0.34 0.46 0.00 -0.69 0.00 0.00 178.15 179.21 2b3i s ALA 63 N -3.84 2.94 0.22 1.87 0.00 -1.26 -4.84 121.76 116.86 2b3i s ALA 63 Ca -0.16 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 2b3i s ALA 63 Cb 0.01 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 2b3i s ALA 63 CO 0.66 -0.60 1.10 -1.25 0.00 0.00 0.00 175.76 175.67 2b3i s PRO 64 N -2.79 4.61 0.00 0.00 0.04 -1.26 -4.96 135.00 130.64 2b3i s PRO 64 Ca 0.64 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2b3i s PRO 64 Cb -0.26 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.04 2b3i s PRO 64 CO 0.32 0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.90 2b3i n GLY 65 N 1.70 -1.61 3.44 0.56 0.00 -1.26 -5.07 105.19 102.95 2b3i n GLY 65 Ca 0.01 -1.13 -0.44 0.00 0.00 0.00 0.00 46.02 44.47 2b3i n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b3i s SER 66 N -2.93 6.22 0.00 1.61 1.04 -1.26 -1.78 113.70 116.59 2b3i s SER 66 Ca 0.00 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.46 2b3i s SER 66 Cb 0.00 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2b3i s SER 66 CO 0.00 -0.93 0.72 0.49 0.98 0.00 0.00 173.24 174.50 2b3i n PHE 67 N 6.22 0.00 0.00 5.02 3.72 0.13 -4.92 117.46 127.63 2b3i n PHE 67 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2b3i n PHE 67 Cb 0.45 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 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 -2.25 0.00 -4.24 1.38 0.18 -1.09 -5.03 117.16 106.11 2b3i n TYR 68 Ca 0.00 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.53 2b3i n TYR 68 Cb 0.00 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 38.88 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 4.63 -0.16 9.48 1.04 -1.26 -1.73 113.70 125.70 2b3i s SER 69 Ca 0.00 -0.49 -0.14 0.00 0.48 0.00 0.00 55.95 55.80 2b3i s SER 69 Cb 0.00 -0.93 0.04 0.00 0.10 0.00 0.00 66.02 65.24 2b3i s SER 69 CO 0.00 0.06 0.42 0.68 0.98 0.00 0.00 173.24 175.38 2b3i s VAL 70 N -1.90 -0.00 0.33 5.02 -7.23 -1.15 -4.99 120.40 110.47 2b3i s VAL 70 Ca 0.28 0.02 -0.06 0.00 -1.81 0.00 0.00 61.98 60.41 2b3i s VAL 70 Cb -0.08 -0.59 -0.05 0.00 0.56 0.00 0.00 36.38 36.21 2b3i s VAL 70 CO 0.18 0.01 0.62 -0.89 -0.31 0.00 0.00 175.10 174.71 2b3i s THR 71 N 0.46 4.96 0.18 5.32 2.01 -1.26 -0.28 115.64 127.03 2b3i s THR 71 Ca -0.02 0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.20 2b3i s THR 71 Cb -0.04 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 2b3i s THR 71 CO -0.02 -0.40 -0.03 -0.76 -0.69 0.00 0.00 174.62 172.72 2b3i s LEU 72 N -3.69 2.28 0.00 4.42 1.43 0.36 -4.93 118.68 118.54 2b3i s LEU 72 Ca 0.46 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 2b3i s LEU 72 Cb -0.11 -0.21 0.00 0.00 0.03 0.00 0.00 46.19 45.91 2b3i s LEU 72 CO 0.31 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 177.02 2b3i n GLY 73 N -0.27 -0.28 3.70 -3.19 0.00 -1.26 -0.58 105.19 103.30 2b3i n GLY 73 Ca -0.07 0.03 -0.55 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.44 0.34 -2.52 2.61 -1.04 -1.26 -4.42 114.28 105.55 2b3i n THR 74 Ca 0.00 -0.06 -0.39 0.00 -2.04 0.00 0.00 64.05 61.56 2b3i n THR 74 Cb 0.00 -1.34 -0.04 0.00 -1.82 0.00 0.00 70.33 67.13 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 3.36 4.50 0.00 -2.82 0.04 -1.26 -4.70 135.00 134.13 2b3i s PRO 75 Ca 0.96 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.68 2b3i s PRO 75 Cb -0.97 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 30.58 2b3i s PRO 75 CO 0.61 0.12 0.00 0.41 0.04 0.00 0.00 177.00 178.17 2b3i n GLY 76 N 0.93 0.82 3.64 0.56 0.00 -1.23 -4.94 105.19 104.97 2b3i n GLY 76 Ca 0.01 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.13 5.34 -0.16 2.61 -1.32 -1.26 -1.38 115.64 118.33 2b3i s THR 77 Ca 0.00 0.18 -0.09 0.00 -1.21 0.00 0.00 61.69 60.58 2b3i s THR 77 Cb 0.00 -3.51 -0.05 0.00 -1.51 0.00 0.00 72.50 67.43 2b3i s THR 77 CO 0.00 0.31 0.13 -0.31 -2.21 0.00 0.00 174.62 172.54 2b3i s TYR 78 N 1.31 3.48 -0.02 9.09 1.51 0.51 -4.60 117.35 128.63 2b3i s TYR 78 Ca 0.07 0.41 0.08 0.00 -1.01 0.00 0.00 57.07 56.62 2b3i s TYR 78 Cb -0.14 -2.06 -0.02 0.00 -0.11 0.00 0.00 41.96 39.63 2b3i s TYR 78 CO 0.07 0.48 -0.25 -1.12 -1.11 0.00 0.00 175.55 173.61 2b3i s SER 79 N -0.25 2.99 0.04 2.29 0.01 -1.24 0.15 113.70 117.69 2b3i s SER 79 Ca 0.11 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.91 2b3i s SER 79 Cb -0.11 -0.33 -0.00 0.00 0.21 0.00 0.00 66.02 65.78 2b3i s SER 79 CO 0.01 0.31 0.03 2.22 0.41 0.00 0.00 173.24 176.22 2b3i n PHE 80 N 2.45 -0.16 -3.65 2.43 -1.74 -1.24 0.17 117.46 115.72 2b3i n PHE 80 Ca -0.16 -0.30 -0.01 0.00 -0.56 0.00 0.00 57.45 56.42 2b3i n PHE 80 Cb 0.51 0.04 -0.01 0.00 1.52 0.00 0.00 39.48 41.54 2b3i n PHE 80 CO 0.00 0.00 0.00 1.52 -0.56 0.00 0.00 176.76 177.72 2b3i s TYR 81 N -2.56 -0.09 -0.36 2.97 -0.85 -1.21 -3.90 117.35 111.35 2b3i s TYR 81 Ca 0.04 -0.07 -0.16 0.00 -0.52 0.00 0.00 57.07 56.36 2b3i s TYR 81 Cb 0.00 0.57 -0.00 0.00 0.38 0.00 0.00 41.96 42.91 2b3i s TYR 81 CO 0.03 -0.46 0.38 0.00 -1.52 0.00 0.00 175.55 173.98 2b3i h THR 83 N 5.58 0.15 0.22 0.00 2.02 -1.89 -2.53 112.91 116.47 2b3i h THR 83 Ca -0.29 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 2b3i h THR 83 Cb 1.14 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2b3i h THR 83 CO 0.72 0.00 -0.11 1.55 0.37 0.00 0.00 175.52 178.05 2b3i h PRO 84 N -0.03 -0.29 -4.30 6.66 0.13 -1.93 -3.37 132.00 128.88 2b3i h PRO 84 Ca 0.36 0.02 -0.69 0.00 -0.87 0.00 0.00 66.00 64.83 2b3i h PRO 84 Cb 0.59 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 2b3i h PRO 84 CO -0.84 -0.19 2.83 0.72 -0.23 0.00 0.00 178.00 180.29 2b3i n HIS 85 N -4.61 3.27 -0.12 1.56 8.25 -1.04 -4.39 115.22 118.14 2b3i n HIS 85 Ca -0.04 -2.69 -0.18 0.00 -0.26 0.00 0.00 57.72 54.56 2b3i n HIS 85 Cb 0.12 -2.39 -0.12 0.00 1.12 0.00 0.00 29.99 28.72 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 6.54 0.65 0.09 -0.41 1.85 -0.98 -3.47 116.66 120.93 2b3i n ARG 86 Ca 0.51 0.15 0.08 0.00 -1.00 0.00 0.00 57.85 57.59 2b3i n ARG 86 Cb 0.40 -1.53 -0.02 0.00 -1.05 0.00 0.00 32.46 30.26 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 2.05 0.00 1.99 2.89 0.00 -1.89 -3.29 103.07 104.83 2b3i h GLY 87 Ca -0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.76 2b3i h GLY 87 CO -0.08 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.46 2b3i n ALA 88 N -2.24 1.54 -1.77 3.60 0.00 -1.26 -4.87 120.51 115.50 2b3i n ALA 88 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 2b3i n ALA 88 Cb 0.64 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2b3i n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b3i n GLY 89 N -0.28 -0.02 2.61 0.00 0.00 -1.24 -4.92 105.19 101.34 2b3i n GLY 89 Ca 0.03 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 2b3i n GLY 89 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2b3i n MET 90 N -1.41 1.42 -4.28 1.61 0.00 -1.23 -4.70 117.12 108.54 2b3i n MET 90 Ca -0.00 -4.06 -0.18 0.00 -0.00 0.00 0.00 57.70 53.46 2b3i n MET 90 Cb 0.51 -2.01 -0.11 0.00 0.00 0.00 0.00 33.22 31.61 2b3i n MET 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2b3i s VAL 91 N -1.23 1.46 0.00 1.12 -7.23 -1.26 -2.81 120.40 110.46 2b3i s VAL 91 Ca 0.31 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 2b3i s VAL 91 Cb 0.04 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.26 2b3i s VAL 91 CO -0.14 -0.47 0.00 0.61 -0.31 0.00 0.00 175.10 174.79 2b3i n GLY 92 N 0.25 3.52 3.24 2.32 0.00 -1.25 -4.52 105.19 108.74 2b3i n GLY 92 Ca -0.13 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 2b3i n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b3i s THR 93 N -2.23 0.12 -0.21 2.61 2.01 -0.85 -3.59 115.64 113.50 2b3i s THR 93 Ca 0.00 -1.26 -0.05 0.00 0.31 0.00 0.00 61.69 60.69 2b3i s THR 93 Cb 0.00 -1.49 0.10 0.00 0.01 0.00 0.00 72.50 71.12 2b3i s THR 93 CO 0.00 -0.56 0.36 -0.63 -0.69 0.00 0.00 174.62 173.10 2b3i s ILE 94 N -3.89 -0.57 0.03 1.82 1.01 0.12 -2.09 121.20 117.63 2b3i s ILE 94 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.80 2b3i s ILE 94 Cb 0.05 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 2b3i s ILE 94 CO -0.08 -0.02 0.13 -0.89 0.00 0.00 0.00 174.94 174.08 2b3i s THR 95 N 2.53 4.95 -0.56 2.92 2.01 -0.25 0.19 115.64 127.44 2b3i s THR 95 Ca 0.05 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 61.68 2b3i s THR 95 Cb -0.14 -3.33 0.23 0.00 0.01 0.00 0.00 72.50 69.27 2b3i s THR 95 CO -0.13 0.25 0.60 0.52 -0.69 0.00 0.00 174.62 175.17 2b3i n VAL 96 N 0.80 1.02 1.98 3.82 0.31 -0.48 0.19 118.33 125.97 2b3i n VAL 96 Ca -0.10 -4.64 0.16 0.00 -0.01 0.00 0.00 64.34 59.75 2b3i n VAL 96 Cb 0.52 -2.03 0.93 0.00 -0.91 0.00 0.00 33.84 32.36 2b3i n VAL 96 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89