#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 -6.37 -4.88 0.00 7.64 -1.26 -5.01 113.62 103.73 2b3i n SER 2 Ca 0.00 0.34 -0.26 0.00 1.01 0.00 0.00 58.87 59.96 2b3i n SER 2 Cb 0.00 -4.23 -0.02 0.00 -1.01 0.00 0.00 64.21 58.95 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 -2.29 1.81 0.07 0.44 -7.23 -0.98 -5.01 120.40 107.21 2b3i s VAL 3 Ca 0.16 -1.51 -0.08 0.00 -1.81 0.00 0.00 61.98 58.74 2b3i s VAL 3 Cb -0.04 -2.32 -0.00 0.00 0.56 0.00 0.00 36.38 34.57 2b3i s VAL 3 CO 0.56 0.00 0.18 0.00 -0.31 0.00 0.00 175.10 175.53 2b3i s GLN 4 N -4.22 0.78 -0.23 4.82 -2.07 -1.26 -0.28 119.66 117.21 2b3i s GLN 4 Ca 0.35 -0.87 0.01 0.00 -1.82 0.00 0.00 55.36 53.03 2b3i s GLN 4 Cb -0.02 0.32 0.05 0.00 -1.09 0.00 0.00 33.01 32.28 2b3i s GLN 4 CO 0.21 -0.24 -0.09 0.42 -1.32 0.00 0.00 175.29 174.28 2b3i s ILE 5 N -3.47 1.77 0.12 3.63 -1.09 0.49 -4.50 121.20 118.15 2b3i s ILE 5 Ca 0.02 -1.27 -0.18 0.00 -2.23 0.00 0.00 60.65 56.99 2b3i s ILE 5 Cb 0.03 -1.92 -0.07 0.00 -1.58 0.00 0.00 42.46 38.92 2b3i s ILE 5 CO -0.09 0.02 0.58 -0.54 -1.23 0.00 0.00 174.94 173.68 2b3i s LYS 6 N 1.30 4.13 -0.44 2.79 1.02 0.42 -1.15 119.74 127.82 2b3i s LYS 6 Ca -0.05 0.67 -0.06 0.00 0.02 0.00 0.00 55.97 56.55 2b3i s LYS 6 Cb -0.18 -3.08 0.11 0.00 -0.52 0.00 0.00 37.83 34.16 2b3i s LYS 6 CO -0.07 0.55 0.27 -1.64 -0.92 0.00 0.00 175.35 173.54 2b3i s MET 7 N -1.53 2.22 0.00 1.68 -1.94 0.29 -0.05 119.30 119.97 2b3i s MET 7 Ca 0.34 -1.79 0.00 0.00 -1.71 0.00 0.00 55.69 52.53 2b3i s MET 7 Cb -0.18 -3.74 0.00 0.00 2.01 0.00 0.00 34.83 32.93 2b3i s MET 7 CO 0.19 -1.12 0.00 0.41 -0.01 0.00 0.00 175.02 174.49 2b3i n GLY 8 N 4.74 2.99 3.50 -0.03 0.00 0.21 -0.58 105.19 116.02 2b3i n GLY 8 Ca -0.05 -1.85 -0.26 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.47 2.71 0.20 2.61 -4.23 0.14 -4.66 115.64 109.94 2b3i s THR 9 Ca 0.00 -2.04 0.29 0.00 -1.18 0.00 0.00 61.69 58.76 2b3i s THR 9 Cb 0.00 -2.36 0.29 0.00 1.34 0.00 0.00 72.50 71.77 2b3i s THR 9 CO 0.00 -0.22 1.87 -0.78 -0.54 0.00 0.00 174.62 174.95 2b3i h ASP 10 N 2.72 0.00 -0.58 3.99 3.58 -1.99 -1.18 116.42 122.96 2b3i h ASP 10 Ca -0.44 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 56.64 2b3i h ASP 10 Cb 1.23 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.13 2b3i h ASP 10 CO 0.54 0.00 0.43 0.29 -2.88 0.00 0.00 179.24 177.62 2b3i n LYS 11 N -2.56 1.93 -2.35 0.28 5.02 -1.26 -4.79 118.16 114.43 2b3i n LYS 11 Ca -0.02 -1.76 -0.00 0.00 -2.02 0.00 0.00 58.31 54.51 2b3i n LYS 11 Cb 0.12 -1.72 -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 -0.52 0.00 0.00 177.40 177.54 2b3i n TYR 12 N 0.38 -1.82 -3.54 2.13 4.01 -0.45 -4.83 117.16 113.04 2b3i n TYR 12 Ca 0.34 0.01 -0.41 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 -1.84 3.41 -1.17 -0.72 0.00 -1.17 -4.92 121.76 115.35 2b3i s ALA 13 Ca 0.01 -1.57 -0.21 0.00 0.00 0.00 0.00 51.96 50.19 2b3i s ALA 13 Cb -0.00 -2.69 -0.00 0.00 0.00 0.00 0.00 23.12 20.43 2b3i s ALA 13 CO 0.01 -1.21 1.79 -1.25 0.00 0.00 0.00 175.76 175.10 2b3i s PRO 14 N 1.66 3.21 0.04 0.00 0.04 -1.26 0.27 135.00 138.96 2b3i s PRO 14 Ca 0.05 -1.35 -0.02 0.00 0.04 0.00 0.00 61.00 59.72 2b3i s PRO 14 Cb -0.18 -5.35 -0.03 0.00 0.04 0.00 0.00 34.50 28.98 2b3i s PRO 14 CO 0.09 -3.02 0.00 -0.48 0.04 0.00 0.00 177.00 173.64 2b3i s LEU 15 N 7.54 2.25 0.20 -3.56 0.05 -1.26 -4.21 118.68 119.68 2b3i s LEU 15 Ca 0.60 -0.78 -0.30 0.00 0.05 0.00 0.00 54.13 53.71 2b3i s LEU 15 Cb 0.00 0.29 -0.08 0.00 -2.05 0.00 0.00 46.19 44.36 2b3i s LEU 15 CO 0.06 -0.52 1.00 -0.31 -0.55 0.00 0.00 176.35 176.03 2b3i s TYR 16 N -3.08 3.81 -0.05 3.48 2.02 -1.26 0.66 117.35 122.93 2b3i s TYR 16 Ca -0.01 1.80 -0.02 0.00 -0.37 0.00 0.00 57.07 58.47 2b3i s TYR 16 Cb 0.02 -3.10 0.03 0.00 -0.40 0.00 0.00 41.96 38.51 2b3i s TYR 16 CO -0.07 0.05 0.10 -2.00 -1.57 0.00 0.00 175.55 172.06 2b3i s GLU 17 N -0.79 0.05 0.50 -0.62 2.12 0.93 -2.82 118.70 118.07 2b3i s GLU 17 Ca 0.44 0.28 -0.20 0.00 0.36 0.00 0.00 54.97 55.86 2b3i s GLU 17 Cb -0.27 -0.17 -0.08 0.00 0.26 0.00 0.00 34.13 33.87 2b3i s GLU 17 CO 0.33 -0.15 1.04 -1.25 -0.54 0.00 0.00 175.26 174.70 2b3i s PRO 18 N 0.99 3.76 0.32 4.30 0.04 -1.26 0.16 135.00 143.32 2b3i s PRO 18 Ca -0.08 1.34 0.11 0.00 0.04 0.00 0.00 61.00 62.41 2b3i s PRO 18 Cb -0.10 -2.09 0.94 0.00 0.04 0.00 0.00 34.50 33.29 2b3i s PRO 18 CO -0.04 -0.46 1.71 -0.22 0.04 0.00 0.00 177.00 178.02 2b3i h LYS 19 N 1.45 0.49 -5.90 4.56 3.64 -1.83 -3.40 116.57 115.59 2b3i h LYS 19 Ca -0.49 -0.03 -0.51 0.00 -1.27 0.00 0.00 60.65 58.35 2b3i h LYS 19 Cb 1.22 -0.11 -0.20 0.00 -0.41 0.00 0.00 32.23 32.73 2b3i h LYS 19 CO 0.59 0.33 -0.80 0.00 -2.27 0.00 0.00 179.45 177.29 2b3i s ALA 20 N -5.75 1.74 -0.04 5.00 0.00 -1.26 -2.52 121.76 118.93 2b3i s ALA 20 Ca -0.11 -1.29 -0.06 0.00 0.00 0.00 0.00 51.96 50.50 2b3i s ALA 20 Cb 0.28 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.22 2b3i s ALA 20 CO 0.79 0.27 0.16 -1.17 0.00 0.00 0.00 175.76 175.81 2b3i s LEU 21 N -2.17 1.43 0.02 0.00 2.96 -0.85 -4.94 118.68 115.13 2b3i s LEU 21 Ca 0.08 0.14 0.05 0.00 -0.22 0.00 0.00 54.13 54.19 2b3i s LEU 21 Cb -0.08 0.61 -0.02 0.00 0.50 0.00 0.00 46.19 47.20 2b3i s LEU 21 CO 0.04 -0.17 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.19 2b3i s SER 22 N -0.44 1.90 0.21 3.68 0.15 -1.26 -0.50 113.70 117.44 2b3i s SER 22 Ca -0.05 -0.39 -0.04 0.00 0.70 0.00 0.00 55.95 56.17 2b3i s SER 22 Cb -0.03 -0.17 0.02 0.00 -1.71 0.00 0.00 66.02 64.12 2b3i s SER 22 CO 0.01 0.13 0.34 2.30 1.20 0.00 0.00 173.24 177.22 2b3i n ILE 23 N 2.26 0.00 -4.57 6.45 -5.35 0.52 -4.72 119.36 113.95 2b3i n ILE 23 Ca -0.16 -0.85 -0.29 0.00 -0.27 0.00 0.00 62.75 61.18 2b3i n ILE 23 Cb 0.54 0.60 -0.09 0.00 -1.74 0.00 0.00 39.64 38.96 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 -2.21 4.07 -0.54 7.28 0.01 -1.26 0.19 113.70 121.25 2b3i s SER 24 Ca 0.14 -1.43 -0.27 0.00 1.31 0.00 0.00 55.95 55.70 2b3i s SER 24 Cb -0.01 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.16 2b3i s SER 24 CO 0.10 -0.63 1.66 0.00 0.41 0.00 0.00 173.24 174.77 2b3i s ALA 25 N -2.76 2.58 0.00 1.44 0.00 -1.26 -1.76 121.76 120.01 2b3i s ALA 25 Ca 0.26 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2b3i s ALA 25 Cb 0.06 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 19.02 2b3i s ALA 25 CO 0.13 -3.23 0.00 0.41 0.00 0.00 0.00 175.76 173.07 2b3i n GLY 26 N 5.46 0.97 3.92 0.00 0.00 -1.02 -4.92 105.19 109.59 2b3i n GLY 26 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.84 4.11 0.22 1.61 1.11 -0.72 -4.74 116.67 117.42 2b3i s ASP 27 Ca 0.00 0.47 0.10 0.00 0.18 0.00 0.00 52.55 53.30 2b3i s ASP 27 Cb 0.00 -0.84 -0.05 0.00 1.07 0.00 0.00 42.92 43.10 2b3i s ASP 27 CO 0.00 -2.11 -0.18 -0.89 1.18 0.00 0.00 175.17 173.17 2b3i s THR 28 N -3.58 2.10 -0.26 -1.27 2.01 -1.26 -1.72 115.64 111.66 2b3i s THR 28 Ca 0.66 -2.20 -0.02 0.00 0.31 0.00 0.00 61.69 60.44 2b3i s THR 28 Cb -0.08 -2.10 0.08 0.00 0.01 0.00 0.00 72.50 70.41 2b3i s THR 28 CO 0.49 -0.41 0.07 -0.69 -0.69 0.00 0.00 174.62 173.40 2b3i s VAL 29 N -2.45 0.59 0.76 3.82 1.01 0.32 -2.32 120.40 122.14 2b3i s VAL 29 Ca 0.23 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 2b3i s VAL 29 Cb -0.04 -1.29 0.05 0.00 0.00 0.00 0.00 36.38 35.10 2b3i s VAL 29 CO 0.10 -0.47 1.14 -0.70 0.00 0.00 0.00 175.10 175.17 2b3i s GLU 30 N 1.79 2.36 -0.12 2.72 2.12 0.62 -2.99 118.70 125.20 2b3i s GLU 30 Ca 0.05 0.28 -0.06 0.00 0.36 0.00 0.00 54.97 55.60 2b3i s GLU 30 Cb -0.17 -1.98 0.05 0.00 0.26 0.00 0.00 34.13 32.29 2b3i s GLU 30 CO -0.19 -1.35 0.28 -0.06 -0.54 0.00 0.00 175.26 173.40 2b3i s PHE 31 N -3.47 -0.40 0.08 5.30 0.40 -0.64 0.19 117.98 119.44 2b3i s PHE 31 Ca 0.60 0.92 0.03 0.00 -0.60 0.00 0.00 56.93 57.88 2b3i s PHE 31 Cb -0.11 0.07 -0.03 0.00 0.51 0.00 0.00 43.02 43.46 2b3i s PHE 31 CO 0.50 -0.28 -0.09 0.54 0.70 0.00 0.00 175.22 176.60 2b3i s VAL 32 N 1.52 0.77 -0.41 -0.44 0.11 -0.30 -1.12 120.40 120.54 2b3i s VAL 32 Ca -0.07 -1.51 -0.16 0.00 -2.93 0.00 0.00 61.98 57.32 2b3i s VAL 32 Cb -0.10 -1.17 0.02 0.00 -1.53 0.00 0.00 36.38 33.59 2b3i s VAL 32 CO -0.09 -0.55 0.34 -0.04 -3.33 0.00 0.00 175.10 171.43 2b3i s MET 33 N -2.57 3.04 -0.00 1.54 -1.94 -1.26 -0.55 119.30 117.56 2b3i s MET 33 Ca 0.01 -0.92 -0.04 0.00 -1.71 0.00 0.00 55.69 53.04 2b3i s MET 33 Cb -0.04 -3.97 -0.02 0.00 2.01 0.00 0.00 34.83 32.81 2b3i s MET 33 CO -0.01 -0.76 0.59 -0.91 -0.01 0.00 0.00 175.02 173.92 2b3i h ASN 34 N 8.65 -0.12 -0.51 3.03 4.21 -1.11 -3.42 115.58 126.31 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 1.12 0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.35 2b3i h ASN 34 CO 0.75 -0.04 0.00 2.29 -1.29 0.00 0.00 177.43 179.13 2b3i n LYS 35 N -2.63 0.00 -3.90 0.81 0.00 -1.02 -5.00 118.16 106.41 2b3i n LYS 35 Ca -0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.04 2b3i n LYS 35 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.07 2b3i n LYS 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2b3i n VAL 36 N 0.00 -3.37 -2.67 0.58 0.31 -1.26 -4.44 118.33 107.48 2b3i n VAL 36 Ca 0.00 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 2b3i n VAL 36 Cb 0.00 -2.88 0.00 0.00 -0.91 0.00 0.00 33.84 30.05 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 -1.91 1.79 3.76 2.92 0.00 -1.26 -4.81 105.19 105.68 2b3i n GLY 37 Ca -0.31 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.33 2b3i n GLY 37 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2b3i s PRO 38 N -0.86 -0.46 0.04 1.61 0.04 -1.26 -5.11 135.00 129.01 2b3i s PRO 38 Ca 0.00 -0.31 0.01 0.00 0.04 0.00 0.00 61.00 60.73 2b3i s PRO 38 Cb 0.00 -1.71 -0.00 0.00 0.04 0.00 0.00 34.50 32.83 2b3i s PRO 38 CO 0.00 -3.17 0.02 0.72 0.04 0.00 0.00 177.00 174.62 2b3i n HIS 39 N -4.32 -0.02 -3.61 0.56 8.25 -1.25 -4.81 115.22 110.01 2b3i n HIS 39 Ca 0.15 -0.30 -0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2b3i n HIS 39 Cb 0.59 0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.71 2b3i n HIS 39 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2b3i s ASN 40 N -1.27 -0.08 -0.35 0.41 2.20 -1.26 -2.95 114.94 111.63 2b3i s ASN 40 Ca 0.03 -0.09 -0.06 0.00 -0.94 0.00 0.00 52.86 51.80 2b3i s ASN 40 Cb 0.00 0.15 0.05 0.00 -2.00 0.00 0.00 41.25 39.45 2b3i s ASN 40 CO 0.02 -0.27 0.13 -0.69 -2.94 0.00 0.00 177.10 173.35 2b3i s VAL 41 N -2.41 3.80 -0.55 3.54 1.01 -1.19 -4.62 120.40 119.98 2b3i s VAL 41 Ca 0.13 -1.24 0.05 0.00 0.00 0.00 0.00 61.98 60.92 2b3i s VAL 41 Cb 0.03 -3.21 0.20 0.00 0.00 0.00 0.00 36.38 33.40 2b3i s VAL 41 CO -0.04 -0.26 0.51 -0.38 0.00 0.00 0.00 175.10 174.93 2b3i n ILE 42 N 4.81 0.53 -0.78 2.22 2.08 -1.22 0.84 119.36 127.84 2b3i n ILE 42 Ca -0.11 -4.36 -0.34 0.00 0.56 0.00 0.00 62.75 58.49 2b3i n ILE 42 Cb 0.44 -1.97 0.13 0.00 -0.75 0.00 0.00 39.64 37.49 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 1.90 -1.56 -0.11 1.39 3.01 -1.26 -3.20 117.46 117.63 2b3i n PHE 43 Ca 0.25 0.27 -0.23 0.00 1.01 0.00 0.00 57.45 58.75 2b3i n PHE 43 Cb 0.43 -1.53 -0.08 0.00 -0.01 0.00 0.00 39.48 38.30 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 -0.17 1.49 0.00 4.37 2.03 -0.92 -4.77 116.55 118.58 2b3i n ASP 44 Ca 0.00 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.57 2b3i n ASP 44 Cb 0.65 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 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 -3.95 0.00 -4.28 -0.67 5.02 -1.26 -4.84 118.16 108.18 2b3i n LYS 45 Ca -0.41 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 55.68 2b3i n LYS 45 Cb 0.79 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.69 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 -1.20 1.52 0.90 -0.18 -7.23 -1.26 -3.81 120.40 109.12 2b3i s VAL 46 Ca 0.00 -1.78 -0.12 0.00 -1.81 0.00 0.00 61.98 58.26 2b3i s VAL 46 Cb 0.00 -1.64 0.13 0.00 0.56 0.00 0.00 36.38 35.43 2b3i s VAL 46 CO 0.00 -0.37 1.13 -2.16 -0.31 0.00 0.00 175.10 173.39 2b3i s PRO 47 N -2.69 1.25 0.38 4.82 0.04 -1.26 -4.76 135.00 132.78 2b3i s PRO 47 Ca 0.11 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.48 2b3i s PRO 47 Cb -0.05 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2b3i s PRO 47 CO 0.04 -2.13 0.00 0.00 0.04 0.00 0.00 177.00 174.95 2b3i n ALA 48 N -3.73 -0.87 -0.90 8.56 0.00 -1.26 -4.02 120.51 118.29 2b3i n ALA 48 Ca 0.07 0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.47 2b3i n ALA 48 Cb 0.59 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.53 3.74 1.09 0.00 0.00 -1.26 -4.91 105.19 102.32 2b3i n GLY 49 Ca 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 2b3i n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2b3i n GLU 50 N 0.81 -0.61 -3.57 1.61 4.71 -1.26 -5.03 120.64 117.30 2b3i n GLU 50 Ca 0.27 -0.58 -0.27 0.00 -0.01 0.00 0.00 57.16 56.58 2b3i n GLU 50 Cb 0.58 -0.41 -0.09 0.00 -1.01 0.00 0.00 31.44 30.51 2b3i n GLU 50 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2b3i n SER 51 N -3.30 2.77 -0.03 1.62 7.64 -1.26 -4.90 113.62 116.16 2b3i n SER 51 Ca 0.05 -3.19 -0.11 0.00 1.01 0.00 0.00 58.87 56.62 2b3i n SER 51 Cb 0.17 -0.69 -0.09 0.00 -1.01 0.00 0.00 64.21 62.59 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 4.71 -0.05 0.00 -0.43 0.00 -1.96 -0.02 119.26 121.50 2b3i h ALA 52 Ca 0.17 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2b3i h ALA 52 Cb 0.74 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2b3i h ALA 52 CO 0.72 -0.10 0.00 -0.35 0.00 0.00 0.00 179.25 179.52 2b3i n PRO 53 N -4.74 0.75 -0.08 0.00 -0.04 -1.26 -2.34 135.00 127.28 2b3i n PRO 53 Ca -0.08 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.28 2b3i n PRO 53 Cb 0.32 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 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 -0.98 1.62 -0.17 0.55 0.00 -1.22 -4.49 120.51 115.82 2b3i n ALA 54 Ca 0.17 -0.86 -0.11 0.00 0.00 0.00 0.00 53.44 52.64 2b3i n ALA 54 Cb 0.08 0.02 0.01 0.00 0.00 0.00 0.00 19.45 19.55 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 1.04 -9.28 0.00 3.38 -0.76 -3.43 115.31 106.25 2b3i h LEU 55 Ca -0.41 -0.37 -0.67 0.00 0.09 0.00 0.00 57.88 56.52 2b3i h LEU 55 Cb 1.75 -0.28 0.04 0.00 0.09 0.00 0.00 40.66 42.25 2b3i h LEU 55 CO -0.03 1.18 0.69 -1.54 0.09 0.00 0.00 178.44 178.83 2b3i n SER 56 N -4.12 2.27 -4.05 -0.43 3.41 -0.99 -4.96 113.62 104.76 2b3i n SER 56 Ca 0.01 1.09 -0.25 0.00 -0.26 0.00 0.00 58.87 59.45 2b3i n SER 56 Cb 0.44 -1.24 -0.17 0.00 -0.26 0.00 0.00 64.21 62.98 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 1.70 1.90 -0.12 4.04 -0.87 0.25 -4.95 114.94 116.89 2b3i s ASN 57 Ca 0.88 -0.32 0.07 0.00 -1.57 0.00 0.00 52.86 51.91 2b3i s ASN 57 Cb -0.91 -0.85 0.39 0.00 -0.02 0.00 0.00 41.25 39.86 2b3i s ASN 57 CO 0.50 0.05 1.10 1.07 -2.57 0.00 0.00 177.10 177.26 2b3i n THR 58 N 3.73 1.34 -2.07 1.60 5.66 -1.26 -3.16 114.28 120.13 2b3i n THR 58 Ca -0.22 -0.67 -0.41 0.00 -3.05 0.00 0.00 64.05 59.69 2b3i n THR 58 Cb 0.52 -0.40 -0.00 0.00 -1.55 0.00 0.00 70.33 68.90 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 0.29 3.97 -1.67 1.09 4.81 -1.26 -4.97 118.16 120.42 2b3i n LYS 59 Ca 0.14 -3.32 -0.46 0.00 -0.87 0.00 0.00 58.31 53.79 2b3i n LYS 59 Cb 0.71 -2.82 -0.04 0.00 0.02 0.00 0.00 35.03 32.91 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 3.12 3.05 -4.66 3.14 -0.00 -1.26 -4.93 117.00 115.46 2b3i n LEU 60 Ca 0.53 1.10 -0.39 0.00 -0.00 0.00 0.00 56.01 57.25 2b3i n LEU 60 Cb 0.31 -1.42 -0.07 0.00 -0.00 0.00 0.00 43.42 42.24 2b3i n LEU 60 CO 0.78 -0.37 0.26 0.00 -0.00 0.00 0.00 177.39 178.06 2b3i s ALA 61 N 0.61 3.55 -0.11 1.47 0.00 -1.15 -4.92 121.76 121.20 2b3i s ALA 61 Ca 0.76 -0.40 -0.19 0.00 0.00 0.00 0.00 51.96 52.12 2b3i s ALA 61 Cb -0.68 -2.85 -0.27 0.00 0.00 0.00 0.00 23.12 19.32 2b3i s ALA 61 CO 0.42 -0.50 0.59 0.82 0.00 0.00 0.00 175.76 177.09 2b3i h ILE 62 N 5.16 1.19 -3.85 0.00 1.08 -1.91 -3.33 117.51 115.84 2b3i h ILE 62 Ca -0.33 -2.39 -0.48 0.00 -0.39 0.00 0.00 64.86 61.27 2b3i h ILE 62 Cb 1.15 2.81 -0.01 0.00 -3.07 0.00 0.00 36.82 37.70 2b3i h ILE 62 CO 0.74 0.64 0.38 0.00 -0.69 0.00 0.00 178.15 179.22 2b3i s ALA 63 N -2.42 3.25 1.04 1.87 0.00 -1.26 -4.89 121.76 119.35 2b3i s ALA 63 Ca -0.20 0.63 -0.16 0.00 0.00 0.00 0.00 51.96 52.23 2b3i s ALA 63 Cb 0.03 -3.23 0.22 0.00 0.00 0.00 0.00 23.12 20.15 2b3i s ALA 63 CO 0.75 0.07 1.20 -1.25 0.00 0.00 0.00 175.76 176.53 2b3i s PRO 64 N -1.82 0.04 0.00 0.00 0.04 -1.26 -4.81 135.00 127.19 2b3i s PRO 64 Ca 0.48 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.39 2b3i s PRO 64 Cb -0.23 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2b3i s PRO 64 CO 0.29 -2.86 0.00 0.41 0.04 0.00 0.00 177.00 174.88 2b3i n GLY 65 N -2.38 1.24 0.00 0.56 0.00 -1.26 -5.01 105.19 98.33 2b3i n GLY 65 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.69 113.62 112.69 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 -0.27 -4.93 117.46 123.31 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 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 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 -1.44 0.00 -4.35 1.38 0.18 -1.12 -5.03 117.16 106.78 2b3i n TYR 68 Ca 0.00 0.00 -0.26 0.00 1.88 0.00 0.00 57.90 59.52 2b3i n TYR 68 Cb 0.00 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 38.86 2b3i n TYR 68 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 2b3i s SER 69 N 0.00 3.99 -0.11 9.48 0.01 -1.26 -1.61 113.70 124.19 2b3i s SER 69 Ca 0.00 -0.71 -0.10 0.00 1.31 0.00 0.00 55.95 56.45 2b3i s SER 69 Cb 0.00 -0.56 0.03 0.00 0.21 0.00 0.00 66.02 65.70 2b3i s SER 69 CO 0.00 0.09 0.30 0.68 0.41 0.00 0.00 173.24 174.72 2b3i s VAL 70 N -1.84 -0.00 0.09 3.43 -7.23 -1.16 -4.99 120.40 108.70 2b3i s VAL 70 Ca 0.25 0.01 0.03 0.00 -1.81 0.00 0.00 61.98 60.46 2b3i s VAL 70 Cb -0.08 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 2b3i s VAL 70 CO 0.14 0.01 0.10 -0.89 -0.31 0.00 0.00 175.10 174.15 2b3i s THR 71 N 0.29 4.65 0.42 5.32 2.01 -1.26 -0.52 115.64 126.55 2b3i s THR 71 Ca -0.01 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.31 2b3i s THR 71 Cb -0.03 -3.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.16 2b3i s THR 71 CO -0.01 0.10 0.09 -0.76 -0.69 0.00 0.00 174.62 173.35 2b3i s LEU 72 N -2.48 2.92 -0.14 4.42 1.43 -0.70 -5.00 118.68 119.13 2b3i s LEU 72 Ca 0.30 -1.27 0.09 0.00 -1.03 0.00 0.00 54.13 52.22 2b3i s LEU 72 Cb -0.12 -1.11 0.23 0.00 0.03 0.00 0.00 46.19 45.22 2b3i s LEU 72 CO 0.23 -0.54 1.22 0.61 0.23 0.00 0.00 176.35 178.10 2b3i n GLY 73 N -1.12 1.21 3.29 -3.19 0.00 -1.26 -2.45 105.19 101.66 2b3i n GLY 73 Ca -0.05 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.23 -0.01 0.52 2.61 2.01 -1.26 -4.88 115.64 114.39 2b3i s THR 74 Ca 0.08 0.04 -0.19 0.00 0.31 0.00 0.00 61.69 61.94 2b3i s THR 74 Cb 0.22 -0.59 -0.07 0.00 0.01 0.00 0.00 72.50 72.07 2b3i s THR 74 CO -0.07 0.02 1.04 -2.16 -0.69 0.00 0.00 174.62 172.76 2b3i s PRO 75 N 0.75 3.68 0.00 4.92 0.04 -1.26 -4.70 135.00 138.42 2b3i s PRO 75 Ca -0.04 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.30 2b3i s PRO 75 Cb -0.05 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2b3i s PRO 75 CO -0.05 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.87 2b3i n GLY 76 N -0.49 1.02 3.46 0.56 0.00 -1.22 -4.83 105.19 103.69 2b3i n GLY 76 Ca 0.09 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.02 3.87 -0.16 2.61 -1.32 -1.26 -1.14 115.64 117.23 2b3i s THR 77 Ca 0.00 -0.35 -0.05 0.00 -1.21 0.00 0.00 61.69 60.08 2b3i s THR 77 Cb 0.00 -2.72 -0.03 0.00 -1.51 0.00 0.00 72.50 68.23 2b3i s THR 77 CO 0.00 0.46 0.00 -0.31 -2.21 0.00 0.00 174.62 172.56 2b3i s TYR 78 N 0.72 3.12 0.31 9.09 1.51 0.52 -4.32 117.35 128.30 2b3i s TYR 78 Ca -0.01 -0.11 0.08 0.00 -1.01 0.00 0.00 57.07 56.02 2b3i s TYR 78 Cb -0.14 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 2b3i s TYR 78 CO 0.02 0.09 0.13 0.45 -1.11 0.00 0.00 175.55 175.13 2b3i s SER 79 N 0.22 4.80 0.09 2.29 0.15 -1.25 0.87 113.70 120.87 2b3i s SER 79 Ca 0.00 -0.66 -0.26 0.00 0.70 0.00 0.00 55.95 55.73 2b3i s SER 79 Cb -0.13 -0.85 0.09 0.00 -1.71 0.00 0.00 66.02 63.42 2b3i s SER 79 CO 0.02 -0.21 1.14 0.72 1.20 0.00 0.00 173.24 176.10 2b3i s PHE 80 N -2.36 0.01 0.12 3.44 -0.71 -1.10 -2.16 117.98 115.21 2b3i s PHE 80 Ca 0.36 -0.26 -0.03 0.00 -1.04 0.00 0.00 56.93 55.96 2b3i s PHE 80 Cb -0.04 0.63 0.01 0.00 -1.21 0.00 0.00 43.02 42.41 2b3i s PHE 80 CO 0.23 -0.62 0.21 2.48 -1.34 0.00 0.00 175.22 176.18 2b3i n TYR 81 N -0.67 -1.12 -3.67 3.49 0.18 -1.19 -2.87 117.16 111.31 2b3i n TYR 81 Ca -0.03 -0.68 -0.30 0.00 1.88 0.00 0.00 57.90 58.77 2b3i n TYR 81 Cb 0.60 0.24 -0.14 0.00 -0.38 0.00 0.00 39.34 39.66 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 4.47 -0.28 -2.47 0.00 -1.04 -1.26 -2.28 114.28 111.42 2b3i n THR 83 Ca 0.02 1.07 -0.42 0.00 -2.04 0.00 0.00 64.05 62.69 2b3i n THR 83 Cb 0.39 -1.36 -0.03 0.00 -1.82 0.00 0.00 70.33 67.51 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 -5.31 4.49 0.00 -2.82 0.04 -1.26 -2.43 135.00 127.71 2b3i s PRO 84 Ca -0.06 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2b3i s PRO 84 Cb 0.07 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2b3i s PRO 84 CO 0.30 -0.14 0.00 0.72 0.04 0.00 0.00 177.00 177.92 2b3i n HIS 85 N 3.39 0.00 -0.33 0.56 8.25 -1.26 -4.88 115.22 120.96 2b3i n HIS 85 Ca 0.07 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.67 2b3i n HIS 85 Cb 0.47 0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.87 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 2.63 0.03 -0.47 -0.41 0.11 -1.10 1.60 114.38 116.77 2b3i h ARG 86 Ca 0.00 -0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.01 2b3i h ARG 86 Cb 0.00 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.05 2b3i h ARG 86 CO 0.00 0.02 0.00 0.78 0.10 0.00 0.00 179.97 180.88 2b3i h GLY 87 N 0.04 0.83 2.00 0.08 0.00 -1.88 -1.07 103.07 103.07 2b3i h GLY 87 Ca 0.59 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2b3i h GLY 87 CO -0.87 0.51 0.00 0.00 0.00 0.00 0.00 176.54 176.18 2b3i n ALA 88 N -2.47 1.23 -0.68 3.60 0.00 0.54 -4.86 120.51 117.86 2b3i n ALA 88 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2b3i n ALA 88 Cb 0.29 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.93 -0.80 2.46 0.00 0.00 -0.40 -4.94 105.19 100.58 2b3i n GLY 89 Ca 0.00 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.41 0.84 0.27 1.61 0.00 -1.23 -4.46 119.30 115.92 2b3i s MET 90 Ca 0.00 -1.83 0.12 0.00 0.00 0.00 0.00 55.69 53.98 2b3i s MET 90 Cb 0.00 -1.51 -0.05 0.00 0.00 0.00 0.00 34.83 33.27 2b3i s MET 90 CO 0.00 -1.29 -0.19 0.14 0.00 0.00 0.00 175.02 173.67 2b3i s VAL 91 N 0.44 2.39 0.30 10.11 -7.23 -1.26 -3.05 120.40 122.10 2b3i s VAL 91 Ca 0.25 -2.38 -0.16 0.00 -1.81 0.00 0.00 61.98 57.89 2b3i s VAL 91 Cb -0.10 -2.27 0.02 0.00 0.56 0.00 0.00 36.38 34.60 2b3i s VAL 91 CO -0.10 -0.41 0.63 -0.83 -0.31 0.00 0.00 175.10 174.08 2b3i s GLY 92 N -3.46 0.36 0.17 2.32 0.00 -1.14 -4.19 107.32 101.37 2b3i s GLY 92 Ca 0.29 -0.70 -0.16 0.00 0.00 0.00 0.00 44.72 44.16 2b3i s GLY 92 CO 0.14 -0.39 0.45 -1.59 0.00 0.00 0.00 173.10 171.70 2b3i s THR 93 N -3.54 0.05 -0.13 0.90 2.01 -1.05 -2.71 115.64 111.16 2b3i s THR 93 Ca 0.17 -0.83 -0.07 0.00 0.31 0.00 0.00 61.69 61.28 2b3i s THR 93 Cb -0.04 -1.51 0.05 0.00 0.01 0.00 0.00 72.50 71.02 2b3i s THR 93 CO 0.10 -0.20 0.31 -0.63 -0.69 0.00 0.00 174.62 173.51 2b3i s ILE 94 N -3.87 -0.06 0.04 1.82 1.01 0.25 -2.00 121.20 118.40 2b3i s ILE 94 Ca 0.09 0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.92 2b3i s ILE 94 Cb 0.01 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 2b3i s ILE 94 CO -0.05 0.05 -0.08 -0.89 0.00 0.00 0.00 174.94 173.98 2b3i s THR 95 N 1.39 3.53 -0.59 2.92 2.01 0.35 0.19 115.64 125.44 2b3i s THR 95 Ca -0.09 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.00 2b3i s THR 95 Cb -0.10 -2.58 0.23 0.00 0.01 0.00 0.00 72.50 70.06 2b3i s THR 95 CO -0.10 0.28 0.62 0.52 -0.69 0.00 0.00 174.62 175.25 2b3i n VAL 96 N 1.22 1.40 1.53 3.82 0.31 -0.29 0.20 118.33 126.52 2b3i n VAL 96 Ca -0.14 -4.80 0.14 0.00 -0.01 0.00 0.00 64.34 59.53 2b3i n VAL 96 Cb 0.52 -2.06 0.55 0.00 -0.91 0.00 0.00 33.84 31.94 2b3i n VAL 96 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89