#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 -8.98 -4.76 0.00 2.88 -1.26 -5.05 113.62 96.45 2b3i n SER 2 Ca 0.00 1.79 -0.28 0.00 -1.33 0.00 0.00 58.87 59.05 2b3i n SER 2 Cb 0.00 -5.01 -0.07 0.00 -0.75 0.00 0.00 64.21 58.38 2b3i n SER 2 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2b3i s VAL 3 N -0.56 1.81 0.03 2.46 -7.23 -0.78 -5.01 120.40 111.12 2b3i s VAL 3 Ca 0.00 -1.79 -0.06 0.00 -1.81 0.00 0.00 61.98 58.32 2b3i s VAL 3 Cb 0.00 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 2b3i s VAL 3 CO 0.00 0.00 0.11 0.00 -0.31 0.00 0.00 175.10 174.90 2b3i s GLN 4 N -3.94 0.56 -0.23 4.82 -2.07 -1.26 0.15 119.66 117.69 2b3i s GLN 4 Ca 0.29 -0.66 0.01 0.00 -1.82 0.00 0.00 55.36 53.18 2b3i s GLN 4 Cb 0.03 0.22 0.04 0.00 -1.09 0.00 0.00 33.01 32.22 2b3i s GLN 4 CO 0.16 -0.14 -0.13 0.42 -1.32 0.00 0.00 175.29 174.28 2b3i s ILE 5 N -2.30 2.28 -0.14 3.63 -1.09 0.50 -4.40 121.20 119.67 2b3i s ILE 5 Ca -0.07 -1.32 -0.15 0.00 -2.23 0.00 0.00 60.65 56.88 2b3i s ILE 5 Cb -0.03 -2.19 -0.04 0.00 -1.58 0.00 0.00 42.46 38.61 2b3i s ILE 5 CO -0.03 0.18 0.36 -0.54 -1.23 0.00 0.00 174.94 173.68 2b3i s LYS 6 N 1.20 4.29 -0.52 2.79 1.02 0.49 -0.16 119.74 128.85 2b3i s LYS 6 Ca -0.03 0.22 -0.16 0.00 0.02 0.00 0.00 55.97 56.03 2b3i s LYS 6 Cb -0.17 -3.43 0.11 0.00 -0.52 0.00 0.00 37.83 33.82 2b3i s LYS 6 CO -0.07 0.21 0.46 -1.64 -0.92 0.00 0.00 175.35 173.39 2b3i s MET 7 N 0.52 2.97 0.00 1.68 -1.94 -0.08 0.01 119.30 122.47 2b3i s MET 7 Ca 0.20 -1.61 0.00 0.00 -1.71 0.00 0.00 55.69 52.57 2b3i s MET 7 Cb -0.14 -4.24 0.00 0.00 2.01 0.00 0.00 34.83 32.46 2b3i s MET 7 CO 0.06 -1.24 0.00 0.41 -0.01 0.00 0.00 175.02 174.24 2b3i n GLY 8 N 5.23 3.14 3.71 -0.03 0.00 0.41 -0.68 105.19 116.97 2b3i n GLY 8 Ca -0.13 -1.67 -0.23 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.61 3.87 0.19 2.61 -4.23 0.19 -4.61 115.64 112.05 2b3i s THR 9 Ca 0.00 -1.64 0.29 0.00 -1.18 0.00 0.00 61.69 59.16 2b3i s THR 9 Cb 0.00 -3.06 0.29 0.00 1.34 0.00 0.00 72.50 71.07 2b3i s THR 9 CO 0.00 -0.32 1.88 -0.78 -0.54 0.00 0.00 174.62 174.86 2b3i h ASP 10 N 1.89 0.00 -0.54 3.99 1.82 -1.98 -1.13 116.42 120.47 2b3i h ASP 10 Ca -0.46 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 55.82 2b3i h ASP 10 Cb 1.24 0.00 -0.15 0.00 0.68 0.00 0.00 39.33 41.10 2b3i h ASP 10 CO 0.60 0.00 0.44 1.17 -1.61 0.00 0.00 179.24 179.84 2b3i n LYS 11 N -2.56 1.89 -2.29 0.28 3.00 -1.26 -4.79 118.16 112.43 2b3i n LYS 11 Ca -0.02 -1.71 0.00 0.00 -0.00 0.00 0.00 58.31 56.58 2b3i n LYS 11 Cb 0.11 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 33.45 2b3i n LYS 11 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2b3i n TYR 12 N 0.31 -1.80 -3.58 5.64 4.01 -0.43 -4.83 117.16 116.47 2b3i n TYR 12 Ca 0.33 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.68 2b3i n TYR 12 Cb 0.58 -0.92 -0.11 0.00 -0.31 0.00 0.00 39.34 38.58 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 -1.80 3.42 -1.08 -0.72 0.00 -1.18 -4.92 121.76 115.47 2b3i s ALA 13 Ca 0.00 -1.38 -0.22 0.00 0.00 0.00 0.00 51.96 50.35 2b3i s ALA 13 Cb 0.00 -2.55 -0.00 0.00 0.00 0.00 0.00 23.12 20.56 2b3i s ALA 13 CO 0.00 -0.94 1.75 -1.25 0.00 0.00 0.00 175.76 175.32 2b3i s PRO 14 N 1.68 3.16 0.24 0.00 0.04 -1.26 0.53 135.00 139.39 2b3i s PRO 14 Ca 0.05 -1.09 0.01 0.00 0.04 0.00 0.00 61.00 60.01 2b3i s PRO 14 Cb -0.17 -5.29 -0.04 0.00 0.04 0.00 0.00 34.50 29.03 2b3i s PRO 14 CO 0.09 -2.92 0.13 -1.17 0.04 0.00 0.00 177.00 173.17 2b3i s LEU 15 N 7.50 1.42 -0.16 -3.56 0.20 -1.26 -4.28 118.68 118.53 2b3i s LEU 15 Ca 0.59 -1.43 -0.15 0.00 0.69 0.00 0.00 54.13 53.83 2b3i s LEU 15 Cb -0.01 0.24 -0.04 0.00 -0.43 0.00 0.00 46.19 45.94 2b3i s LEU 15 CO 0.01 -0.82 0.36 -0.31 -0.29 0.00 0.00 176.35 175.31 2b3i s TYR 16 N -3.91 3.45 -0.04 5.38 2.02 -1.26 0.15 117.35 123.14 2b3i s TYR 16 Ca 0.38 0.67 0.00 0.00 -0.37 0.00 0.00 57.07 57.76 2b3i s TYR 16 Cb 0.07 -2.44 0.03 0.00 -0.40 0.00 0.00 41.96 39.21 2b3i s TYR 16 CO 0.14 0.16 -0.01 -2.00 -1.57 0.00 0.00 175.55 172.27 2b3i s GLU 17 N 0.72 0.54 0.66 -0.62 2.12 0.10 -2.56 118.70 119.66 2b3i s GLU 17 Ca 0.19 0.03 -0.12 0.00 0.36 0.00 0.00 54.97 55.43 2b3i s GLU 17 Cb -0.14 -0.71 -0.01 0.00 0.26 0.00 0.00 34.13 33.54 2b3i s GLU 17 CO 0.06 -0.15 1.06 -1.25 -0.54 0.00 0.00 175.26 174.44 2b3i s PRO 18 N 1.20 3.07 0.24 4.30 0.04 -1.26 0.19 135.00 142.77 2b3i s PRO 18 Ca -0.07 1.02 -0.06 0.00 0.04 0.00 0.00 61.00 61.93 2b3i s PRO 18 Cb -0.14 -2.01 0.24 0.00 0.04 0.00 0.00 34.50 32.64 2b3i s PRO 18 CO -0.02 -1.00 1.85 0.87 0.04 0.00 0.00 177.00 178.75 2b3i h LYS 19 N -0.35 1.20 -6.38 4.56 1.57 -1.82 -3.43 116.57 111.92 2b3i h LYS 19 Ca -0.45 -0.16 -0.63 0.00 -1.87 0.00 0.00 60.65 57.55 2b3i h LYS 19 Cb 1.21 -0.23 -0.25 0.00 0.08 0.00 0.00 32.23 33.04 2b3i h LYS 19 CO 0.57 0.90 -0.86 0.00 -0.57 0.00 0.00 179.45 179.50 2b3i s ALA 20 N -5.74 1.98 -0.02 3.86 0.00 -1.26 -1.40 121.76 119.18 2b3i s ALA 20 Ca -0.12 -1.18 -0.02 0.00 0.00 0.00 0.00 51.96 50.63 2b3i s ALA 20 Cb 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.91 2b3i s ALA 20 CO 0.83 0.45 0.06 -1.17 0.00 0.00 0.00 175.76 175.93 2b3i s LEU 21 N -1.35 1.78 0.02 0.00 2.96 -0.16 -4.93 118.68 116.99 2b3i s LEU 21 Ca 0.09 0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.13 2b3i s LEU 21 Cb -0.09 0.22 -0.02 0.00 0.50 0.00 0.00 46.19 46.80 2b3i s LEU 21 CO 0.02 -0.05 -0.14 -0.55 -1.32 0.00 0.00 176.35 174.31 2b3i s SER 22 N -0.09 1.70 0.20 3.68 0.15 -1.26 0.25 113.70 118.32 2b3i s SER 22 Ca -0.01 -0.37 -0.04 0.00 0.70 0.00 0.00 55.95 56.23 2b3i s SER 22 Cb -0.01 -0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.17 2b3i s SER 22 CO 0.00 0.10 0.32 2.30 1.20 0.00 0.00 173.24 177.17 2b3i n ILE 23 N 2.27 0.00 -4.49 6.45 -5.35 0.53 -4.86 119.36 113.91 2b3i n ILE 23 Ca -0.16 -0.78 -0.25 0.00 -0.27 0.00 0.00 62.75 61.29 2b3i n ILE 23 Cb 0.55 0.56 -0.10 0.00 -1.74 0.00 0.00 39.64 38.91 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 -2.13 3.65 -0.33 7.28 0.01 -1.26 0.19 113.70 121.10 2b3i s SER 24 Ca 0.13 -1.08 -0.27 0.00 1.31 0.00 0.00 55.95 56.03 2b3i s SER 24 Cb -0.01 -0.32 -0.06 0.00 0.21 0.00 0.00 66.02 65.83 2b3i s SER 24 CO 0.09 -0.04 2.31 0.00 0.41 0.00 0.00 173.24 176.01 2b3i n ALA 25 N -0.68 1.37 0.00 1.44 0.00 -1.26 -0.32 120.51 121.07 2b3i n ALA 25 Ca -0.05 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2b3i n ALA 25 Cb 0.61 -3.03 0.00 0.00 0.00 0.00 0.00 19.45 17.03 2b3i n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b3i n GLY 26 N 5.90 1.18 3.92 0.00 0.00 -0.62 -4.91 105.19 110.65 2b3i n GLY 26 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.32 3.61 0.16 1.61 1.11 0.56 -4.79 116.67 117.61 2b3i s ASP 27 Ca 0.00 0.44 0.06 0.00 0.18 0.00 0.00 52.55 53.23 2b3i s ASP 27 Cb 0.00 -0.64 -0.04 0.00 1.07 0.00 0.00 42.92 43.31 2b3i s ASP 27 CO 0.00 -2.44 -0.14 -0.89 1.18 0.00 0.00 175.17 172.89 2b3i s THR 28 N -3.78 1.45 -0.19 -1.27 2.01 -1.26 -1.66 115.64 110.95 2b3i s THR 28 Ca 0.70 -1.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.69 2b3i s THR 28 Cb -0.06 -1.79 0.06 0.00 0.01 0.00 0.00 72.50 70.72 2b3i s THR 28 CO 0.52 -0.55 0.06 -0.69 -0.69 0.00 0.00 174.62 173.27 2b3i s VAL 29 N -2.68 0.31 0.68 3.82 1.01 -0.19 -1.86 120.40 121.49 2b3i s VAL 29 Ca 0.15 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 2b3i s VAL 29 Cb -0.02 -0.89 0.06 0.00 0.00 0.00 0.00 36.38 35.53 2b3i s VAL 29 CO 0.04 -0.25 0.97 -0.70 0.00 0.00 0.00 175.10 175.16 2b3i s GLU 30 N 1.95 2.27 -0.14 2.72 -6.30 0.12 -2.77 118.70 116.56 2b3i s GLU 30 Ca 0.00 -0.34 -0.05 0.00 -2.50 0.00 0.00 54.97 52.08 2b3i s GLU 30 Cb -0.17 -2.22 0.07 0.00 0.00 0.00 0.00 34.13 31.80 2b3i s GLU 30 CO -0.09 -1.14 0.28 -0.06 0.02 0.00 0.00 175.26 174.27 2b3i s PHE 31 N -3.16 -0.47 0.18 5.30 0.40 -0.45 0.19 117.98 119.97 2b3i s PHE 31 Ca 0.60 1.04 0.09 0.00 -0.60 0.00 0.00 56.93 58.05 2b3i s PHE 31 Cb -0.11 0.01 -0.04 0.00 0.51 0.00 0.00 43.02 43.40 2b3i s PHE 31 CO 0.44 -0.36 -0.19 0.54 0.70 0.00 0.00 175.22 176.35 2b3i s VAL 32 N 2.36 1.92 -0.22 -0.44 0.11 0.77 -2.61 120.40 122.29 2b3i s VAL 32 Ca 0.00 -2.01 -0.14 0.00 -2.93 0.00 0.00 61.98 56.90 2b3i s VAL 32 Cb -0.12 -1.94 -0.04 0.00 -1.53 0.00 0.00 36.38 32.75 2b3i s VAL 32 CO -0.09 -0.34 0.32 -0.32 -3.33 0.00 0.00 175.10 171.34 2b3i s MET 33 N -2.95 4.12 -0.10 1.54 1.75 -1.26 -0.90 119.30 121.50 2b3i s MET 33 Ca 0.18 0.02 -0.05 0.00 -1.25 0.00 0.00 55.69 54.60 2b3i s MET 33 Cb -0.05 -3.55 -0.02 0.00 2.84 0.00 0.00 34.83 34.05 2b3i s MET 33 CO 0.08 -0.04 -0.09 -0.91 -0.65 0.00 0.00 175.02 173.41 2b3i h ASN 34 N 7.52 0.00 -0.86 1.11 4.21 -1.16 -3.43 115.58 122.98 2b3i h ASN 34 Ca -0.36 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.18 2b3i h ASN 34 Cb 1.16 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.36 2b3i h ASN 34 CO 0.69 0.53 0.10 2.29 -1.29 0.00 0.00 177.43 179.74 2b3i n LYS 35 N -4.17 0.10 -3.76 0.81 2.85 -1.03 -5.00 118.16 107.96 2b3i n LYS 35 Ca -0.04 -0.23 -0.33 0.00 -1.05 0.00 0.00 58.31 56.66 2b3i n LYS 35 Cb 0.13 0.31 0.03 0.00 -0.65 0.00 0.00 35.03 34.86 2b3i n LYS 35 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2b3i n VAL 36 N -0.12 -5.08 -2.96 0.58 0.31 -1.26 -4.46 118.33 105.33 2b3i n VAL 36 Ca -0.00 -0.76 -0.07 0.00 -0.01 0.00 0.00 64.34 63.50 2b3i n VAL 36 Cb 0.09 -3.85 0.02 0.00 -0.91 0.00 0.00 33.84 29.20 2b3i n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2b3i n GLY 37 N -1.79 1.84 0.00 2.92 0.00 -1.26 -4.82 105.19 102.09 2b3i n GLY 37 Ca -0.11 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.44 -0.38 -1.79 1.61 -0.04 -1.26 -5.13 135.00 126.57 2b3i n PRO 38 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2b3i n PRO 38 Cb 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.66 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 -2.09 -0.20 0.00 0.54 8.25 -1.26 -4.89 115.22 115.57 2b3i n HIS 39 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2b3i n HIS 39 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -2.58 0.00 -4.15 0.41 0.23 -1.26 -3.06 115.26 104.84 2b3i n ASN 40 Ca 0.00 0.00 -0.38 0.00 -0.53 0.00 0.00 54.58 53.67 2b3i n ASN 40 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 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 4.47 -0.66 3.53 1.01 -1.21 -4.76 120.40 120.77 2b3i s VAL 41 Ca 0.00 -3.36 -0.06 0.00 0.00 0.00 0.00 61.98 58.56 2b3i s VAL 41 Cb 0.00 -3.80 0.17 0.00 0.00 0.00 0.00 36.38 32.76 2b3i s VAL 41 CO 0.00 -1.02 0.52 -0.63 0.00 0.00 0.00 175.10 173.96 2b3i s ILE 42 N -0.73 4.24 1.01 2.22 1.01 -1.25 -0.27 121.20 127.43 2b3i s ILE 42 Ca 0.23 -2.73 -0.13 0.00 0.00 0.00 0.00 60.65 58.02 2b3i s ILE 42 Cb -0.12 -3.72 0.14 0.00 0.01 0.00 0.00 42.46 38.77 2b3i s ILE 42 CO -0.09 -0.91 0.75 0.49 0.00 0.00 0.00 174.94 175.19 2b3i n PHE 43 N 3.73 -0.56 -0.12 3.97 3.72 -1.26 -2.10 117.46 124.84 2b3i n PHE 43 Ca 0.08 0.20 -0.25 0.00 -0.05 0.00 0.00 57.45 57.44 2b3i n PHE 43 Cb 0.40 -1.82 -0.11 0.00 -0.94 0.00 0.00 39.48 37.02 2b3i n PHE 43 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2b3i n ASP 44 N -3.19 1.90 0.00 4.37 2.03 0.41 -4.69 116.55 117.38 2b3i n ASP 44 Ca 0.07 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.77 2b3i n ASP 44 Cb 0.54 -0.91 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 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 -4.37 0.00 -4.30 -0.67 5.02 -1.17 -4.91 118.16 107.77 2b3i n LYS 45 Ca -0.40 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.71 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 -1.72 1.51 0.75 -0.18 -7.23 -1.26 -3.67 120.40 108.60 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 -1.85 0.04 0.00 0.56 0.00 0.00 36.38 35.12 2b3i s VAL 46 CO 0.00 -0.56 1.08 -2.16 -0.31 0.00 0.00 175.10 173.15 2b3i s PRO 47 N -3.35 2.51 0.05 4.82 0.04 -1.26 -4.81 135.00 132.99 2b3i s PRO 47 Ca 0.17 0.80 -0.37 0.00 0.04 0.00 0.00 61.00 61.64 2b3i s PRO 47 Cb -0.01 -1.95 -0.19 0.00 0.04 0.00 0.00 34.50 32.38 2b3i s PRO 47 CO 0.04 -1.36 0.93 0.00 0.04 0.00 0.00 177.00 176.65 2b3i n ALA 48 N -3.28 -3.45 0.00 8.56 0.00 -1.26 -3.51 120.51 117.57 2b3i n ALA 48 Ca 0.07 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.07 2b3i n ALA 48 Cb 0.55 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 1.61 2.37 1.22 0.00 0.00 -1.26 -4.99 105.19 104.14 2b3i n GLY 49 Ca 0.19 -0.46 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 0.53 -3.57 1.61 0.00 -1.23 -4.97 120.64 113.02 2b3i n GLU 50 Ca 0.00 -0.89 -0.27 0.00 0.00 0.00 0.00 57.16 56.00 2b3i n GLU 50 Cb 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 31.44 31.17 2b3i n GLU 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2b3i n SER 51 N -2.92 1.66 0.05 4.31 2.88 -1.26 -4.94 113.62 113.40 2b3i n SER 51 Ca 0.05 -2.92 -0.11 0.00 -1.33 0.00 0.00 58.87 54.57 2b3i n SER 51 Cb 0.19 -0.66 -0.04 0.00 -0.75 0.00 0.00 64.21 62.94 2b3i n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b3i h ALA 52 N 5.08 -0.22 0.00 -1.46 0.00 -1.94 -2.36 119.26 118.37 2b3i h ALA 52 Ca 0.19 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 2b3i h ALA 52 Cb 0.80 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2b3i h ALA 52 CO 0.59 -0.67 0.17 -0.35 0.00 0.00 0.00 179.25 178.99 2b3i n PRO 53 N -5.32 1.62 0.00 0.00 -0.04 -1.26 -2.73 135.00 127.28 2b3i n PRO 53 Ca -0.05 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 2b3i n PRO 53 Cb 0.23 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 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 2.76 0.27 0.14 0.55 0.00 -0.93 -4.90 120.51 118.40 2b3i n ALA 54 Ca 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.78 2b3i n ALA 54 Cb 0.63 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.34 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 0.11 -9.13 0.00 3.38 -1.24 -3.44 115.31 104.98 2b3i h LEU 55 Ca 0.00 -0.05 -0.74 0.00 0.09 0.00 0.00 57.88 57.18 2b3i h LEU 55 Cb 0.00 -0.03 0.05 0.00 0.09 0.00 0.00 40.66 40.77 2b3i h LEU 55 CO 0.00 0.55 0.29 -1.20 0.09 0.00 0.00 178.44 178.17 2b3i n SER 56 N -4.00 0.88 -3.74 -0.43 7.64 -1.16 -4.92 113.62 107.90 2b3i n SER 56 Ca -0.02 1.14 -0.29 0.00 1.01 0.00 0.00 58.87 60.71 2b3i n SER 56 Cb 0.49 -1.05 -0.12 0.00 -1.01 0.00 0.00 64.21 62.51 2b3i n SER 56 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2b3i s ASN 57 N 0.44 3.67 0.43 6.43 -0.87 0.63 -4.93 114.94 120.74 2b3i s ASN 57 Ca 0.89 -3.04 0.26 0.00 -1.57 0.00 0.00 52.86 49.40 2b3i s ASN 57 Cb -1.12 -1.16 1.40 0.00 -0.02 0.00 0.00 41.25 40.35 2b3i s ASN 57 CO 0.53 -0.20 1.77 0.00 -2.57 0.00 0.00 177.10 176.63 2b3i h THR 58 N 4.98 0.00 -0.35 1.60 1.03 -1.91 -3.20 112.91 115.05 2b3i h THR 58 Ca 0.06 0.00 -0.36 0.00 -0.01 0.00 0.00 66.41 66.10 2b3i h THR 58 Cb 0.88 0.57 -0.07 0.00 -1.07 0.00 0.00 68.15 68.47 2b3i h THR 58 CO 0.55 0.00 1.53 1.17 -0.01 0.00 0.00 175.52 178.75 2b3i n LYS 59 N -2.46 0.29 -1.93 0.00 0.00 -1.26 -4.75 118.16 108.04 2b3i n LYS 59 Ca -0.02 -0.15 -0.33 0.00 0.00 0.00 0.00 58.31 57.82 2b3i n LYS 59 Cb 0.13 -2.08 -0.04 0.00 0.00 0.00 0.00 35.03 33.04 2b3i n LYS 59 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2b3i s LEU 60 N 7.81 3.24 -0.64 3.14 2.34 -1.26 -4.74 118.68 128.56 2b3i s LEU 60 Ca 1.20 0.15 -0.25 0.00 0.06 0.00 0.00 54.13 55.29 2b3i s LEU 60 Cb -0.74 -2.53 0.04 0.00 -0.56 0.00 0.00 46.19 42.40 2b3i s LEU 60 CO 0.40 -2.68 1.10 0.00 -1.06 0.00 0.00 176.35 174.12 2b3i s ALA 61 N 10.31 2.99 -0.06 1.48 0.00 -1.17 -4.87 121.76 130.44 2b3i s ALA 61 Ca 0.75 -1.35 -0.24 0.00 0.00 0.00 0.00 51.96 51.12 2b3i s ALA 61 Cb -0.12 -3.99 -0.19 0.00 0.00 0.00 0.00 23.12 18.82 2b3i s ALA 61 CO 0.15 -2.82 1.01 0.97 0.00 0.00 0.00 175.76 175.06 2b3i h ILE 62 N 6.04 1.22 0.00 0.00 6.09 -1.90 -3.37 117.51 125.59 2b3i h ILE 62 Ca -0.27 -1.34 -0.49 0.00 -1.37 0.00 0.00 64.86 61.38 2b3i h ILE 62 Cb 1.06 2.05 -0.09 0.00 0.47 0.00 0.00 36.82 40.31 2b3i h ILE 62 CO 1.19 0.32 1.73 0.00 -3.07 0.00 0.00 178.15 178.32 2b3i n ALA 63 N -2.49 0.28 -2.35 0.18 0.00 -1.26 -4.80 120.51 110.08 2b3i n ALA 63 Ca -0.08 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 2b3i n ALA 63 Cb 0.29 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 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 8.83 4.49 0.00 0.00 0.04 -1.26 -4.55 135.00 142.54 2b3i s PRO 64 Ca 1.34 1.72 0.00 0.00 0.04 0.00 0.00 61.00 64.10 2b3i s PRO 64 Cb -1.24 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 29.96 2b3i s PRO 64 CO 0.48 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.79 2b3i n GLY 65 N 2.84 -1.00 0.00 0.56 0.00 -1.26 -5.08 105.19 101.25 2b3i n GLY 65 Ca 0.07 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -4.73 113.62 112.65 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 -3.96 7.33 3.01 -1.07 -4.95 117.46 117.82 2b3i n PHE 67 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.49 2b3i n PHE 67 Cb 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.48 2b3i n PHE 67 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 2b3i s TYR 68 N -0.62 0.02 0.45 1.38 -0.85 -1.15 -5.05 117.35 111.52 2b3i s TYR 68 Ca 0.00 -0.11 0.02 0.00 -0.52 0.00 0.00 57.07 56.46 2b3i s TYR 68 Cb 0.00 0.55 -0.01 0.00 0.38 0.00 0.00 41.96 42.88 2b3i s TYR 68 CO 0.00 -0.22 0.08 0.45 -1.52 0.00 0.00 175.55 174.34 2b3i n SER 69 N -1.00 2.22 -3.63 -0.18 2.88 -1.26 -1.34 113.62 111.31 2b3i n SER 69 Ca 0.03 -3.18 -0.09 0.00 -1.33 0.00 0.00 58.87 54.30 2b3i n SER 69 Cb 0.59 0.72 -0.07 0.00 -0.75 0.00 0.00 64.21 64.70 2b3i n SER 69 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2b3i s VAL 70 N -2.95 0.00 -0.02 2.46 -7.23 -1.11 -4.97 120.40 106.56 2b3i s VAL 70 Ca 0.11 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.25 2b3i s VAL 70 Cb 0.01 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 2b3i s VAL 70 CO 0.08 0.00 0.17 -0.89 -0.31 0.00 0.00 175.10 174.15 2b3i s THR 71 N 0.04 5.39 0.44 5.32 2.01 -1.26 -1.02 115.64 126.57 2b3i s THR 71 Ca 0.03 -0.13 0.05 0.00 0.31 0.00 0.00 61.69 61.95 2b3i s THR 71 Cb -0.04 -3.49 -0.06 0.00 0.01 0.00 0.00 72.50 68.92 2b3i s THR 71 CO -0.06 0.37 0.01 -0.76 -0.69 0.00 0.00 174.62 173.49 2b3i s LEU 72 N -1.80 2.66 0.00 4.42 1.43 -0.66 -5.00 118.68 119.73 2b3i s LEU 72 Ca 0.25 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 51.88 2b3i s LEU 72 Cb -0.12 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.27 2b3i s LEU 72 CO 0.16 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 176.75 2b3i n GLY 73 N -1.07 -0.09 3.72 -3.19 0.00 -1.26 -1.59 105.19 101.70 2b3i n GLY 73 Ca -0.10 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2b3i n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b3i s THR 74 N -1.45 2.15 0.39 2.61 2.01 -1.26 -4.39 115.64 115.69 2b3i s THR 74 Ca 0.00 0.10 -0.25 0.00 0.31 0.00 0.00 61.69 61.86 2b3i s THR 74 Cb 0.00 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 69.35 2b3i s THR 74 CO 0.00 0.01 1.06 -2.16 -0.69 0.00 0.00 174.62 172.84 2b3i s PRO 75 N 1.18 4.21 0.00 4.92 0.04 -1.26 -4.71 135.00 139.37 2b3i s PRO 75 Ca 0.74 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2b3i s PRO 75 Cb -0.49 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.45 2b3i s PRO 75 CO 0.32 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.66 2b3i n GLY 76 N 0.44 0.41 3.43 0.56 0.00 -1.22 -4.97 105.19 103.83 2b3i n GLY 76 Ca 0.04 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.17 4.04 -0.15 2.61 -1.32 -1.26 -1.62 115.64 116.77 2b3i s THR 77 Ca 0.00 -0.27 -0.11 0.00 -1.21 0.00 0.00 61.69 60.09 2b3i s THR 77 Cb 0.00 -2.86 -0.05 0.00 -1.51 0.00 0.00 72.50 68.09 2b3i s THR 77 CO 0.00 0.39 0.22 -0.31 -2.21 0.00 0.00 174.62 172.72 2b3i s TYR 78 N 1.29 3.49 0.01 9.09 1.51 0.44 -4.65 117.35 128.53 2b3i s TYR 78 Ca 0.04 0.53 0.06 0.00 -1.01 0.00 0.00 57.07 56.69 2b3i s TYR 78 Cb -0.15 -2.21 -0.03 0.00 -0.11 0.00 0.00 41.96 39.46 2b3i s TYR 78 CO 0.02 0.37 -0.16 -1.12 -1.11 0.00 0.00 175.55 173.55 2b3i s SER 79 N 0.06 3.96 0.22 2.29 0.01 -1.24 0.10 113.70 119.10 2b3i s SER 79 Ca 0.14 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.09 2b3i s SER 79 Cb -0.12 -0.73 -0.01 0.00 0.21 0.00 0.00 66.02 65.37 2b3i s SER 79 CO 0.03 0.28 0.25 2.22 0.41 0.00 0.00 173.24 176.43 2b3i n PHE 80 N 1.77 -0.79 -3.59 2.43 -1.74 -1.19 0.16 117.46 114.50 2b3i n PHE 80 Ca -0.16 -1.68 -0.07 0.00 -0.56 0.00 0.00 57.45 54.98 2b3i n PHE 80 Cb 0.52 0.27 -0.04 0.00 1.52 0.00 0.00 39.48 41.75 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 -3.23 -0.22 0.18 2.97 -0.85 -0.89 -3.67 117.35 111.64 2b3i s TYR 81 Ca 0.23 0.32 -0.25 0.00 -0.52 0.00 0.00 57.07 56.85 2b3i s TYR 81 Cb 0.00 0.48 -0.08 0.00 0.38 0.00 0.00 41.96 42.74 2b3i s TYR 81 CO 0.16 -0.24 0.78 0.00 -1.52 0.00 0.00 175.55 174.73 2b3i h THR 83 N 3.20 1.53 -0.05 0.00 2.02 -1.91 -2.13 112.91 115.57 2b3i h THR 83 Ca -0.47 -2.26 -0.24 0.00 0.77 0.00 0.00 66.41 64.22 2b3i h THR 83 Cb 1.20 2.96 0.01 0.00 -1.74 0.00 0.00 68.15 70.59 2b3i h THR 83 CO 0.66 0.63 -0.92 1.55 0.37 0.00 0.00 175.52 177.81 2b3i h PRO 84 N -0.40 0.63 -1.42 6.66 0.13 -1.94 -3.25 132.00 132.41 2b3i h PRO 84 Ca -0.08 -0.61 -0.68 0.00 -0.87 0.00 0.00 66.00 63.75 2b3i h PRO 84 Cb 1.33 0.16 -0.32 0.00 0.13 0.00 0.00 31.00 32.30 2b3i h PRO 84 CO 0.10 1.22 0.48 0.72 -0.23 0.00 0.00 178.00 180.29 2b3i n HIS 85 N -3.85 3.10 0.11 1.56 8.25 -1.25 -4.58 115.22 118.56 2b3i n HIS 85 Ca -0.08 -2.67 -0.18 0.00 -0.26 0.00 0.00 57.72 54.53 2b3i n HIS 85 Cb 0.82 -1.00 -0.13 0.00 1.12 0.00 0.00 29.99 30.80 2b3i n HIS 85 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2b3i h ARG 86 N 2.49 0.39 0.00 -0.41 0.11 -1.42 -2.50 114.38 113.03 2b3i h ARG 86 Ca 0.52 -0.59 -0.12 0.00 0.10 0.00 0.00 59.98 59.88 2b3i h ARG 86 Cb 0.63 0.21 -0.02 0.00 1.11 0.00 0.00 29.97 31.90 2b3i h ARG 86 CO 1.32 1.26 -1.48 0.41 0.10 0.00 0.00 179.97 181.58 2b3i n GLY 87 N 1.45 -1.22 0.04 0.08 0.00 -1.26 -3.77 105.19 100.51 2b3i n GLY 87 Ca -0.10 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.77 2b3i n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3i n ALA 88 N -2.36 1.55 -1.31 4.61 0.00 -1.25 -4.88 120.51 116.87 2b3i n ALA 88 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2b3i n ALA 88 Cb 0.76 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.26 -0.20 2.55 0.00 0.00 -1.23 -4.93 105.19 101.12 2b3i n GLY 89 Ca 0.02 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.64 1.13 0.10 1.61 0.00 -0.94 -4.62 119.30 113.94 2b3i s MET 90 Ca 0.00 -2.08 0.04 0.00 0.00 0.00 0.00 55.69 53.64 2b3i s MET 90 Cb 0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 34.83 32.91 2b3i s MET 90 CO 0.00 -1.28 -0.10 0.14 0.00 0.00 0.00 175.02 173.78 2b3i s VAL 91 N 0.14 0.95 0.05 10.11 -7.23 -1.26 -1.92 120.40 121.25 2b3i s VAL 91 Ca 0.25 -1.70 -0.00 0.00 -1.81 0.00 0.00 61.98 58.72 2b3i s VAL 91 Cb -0.10 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.41 2b3i s VAL 91 CO -0.10 -0.59 0.07 0.61 -0.31 0.00 0.00 175.10 174.78 2b3i n GLY 92 N 0.45 3.14 3.30 2.32 0.00 -1.24 -4.50 105.19 108.65 2b3i n GLY 92 Ca -0.15 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.44 0.07 -0.01 2.61 2.01 -0.49 -3.19 115.64 114.19 2b3i s THR 93 Ca 0.05 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.47 2b3i s THR 93 Cb -0.00 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.48 2b3i s THR 93 CO 0.03 -0.32 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.01 2b3i s ILE 94 N -2.99 0.09 -0.03 1.82 1.01 0.11 -0.99 121.20 120.22 2b3i s ILE 94 Ca -0.02 0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.72 2b3i s ILE 94 Cb 0.00 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.30 2b3i s ILE 94 CO -0.06 0.08 -0.18 -0.89 0.00 0.00 0.00 174.94 173.88 2b3i s THR 95 N 0.51 2.71 -0.61 2.92 2.01 0.14 0.17 115.64 123.49 2b3i s THR 95 Ca -0.05 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.13 2b3i s THR 95 Cb -0.07 -2.03 0.21 0.00 0.01 0.00 0.00 72.50 70.62 2b3i s THR 95 CO -0.01 0.57 0.58 0.52 -0.69 0.00 0.00 174.62 175.59 2b3i n VAL 96 N 2.31 1.32 1.99 3.82 0.31 -0.64 0.20 118.33 127.63 2b3i n VAL 96 Ca -0.17 -4.74 0.16 0.00 -0.01 0.00 0.00 64.34 59.58 2b3i n VAL 96 Cb 0.52 -2.06 0.94 0.00 -0.91 0.00 0.00 33.84 32.32 2b3i n VAL 96 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72