#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 3.90 -4.75 0.00 3.41 -1.26 -4.50 113.62 110.42 2b3i n SER 2 Ca 0.00 1.00 -0.23 0.00 -0.26 0.00 0.00 58.87 59.37 2b3i n SER 2 Cb 0.00 -1.52 -0.06 0.00 -0.26 0.00 0.00 64.21 62.37 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 2.66 2.74 0.05 -3.33 -7.23 0.21 -4.91 120.40 110.60 2b3i s VAL 3 Ca 0.83 -1.66 0.04 0.00 -1.81 0.00 0.00 61.98 59.38 2b3i s VAL 3 Cb -0.52 -2.98 -0.02 0.00 0.56 0.00 0.00 36.38 33.41 2b3i s VAL 3 CO 0.39 -0.10 -0.12 -1.10 -0.31 0.00 0.00 175.10 173.85 2b3i s GLN 4 N -3.90 0.79 -0.32 4.82 -0.21 -1.26 0.19 119.66 119.77 2b3i s GLN 4 Ca 0.40 -0.77 -0.01 0.00 0.02 0.00 0.00 55.36 55.00 2b3i s GLN 4 Cb -0.01 -0.75 0.06 0.00 1.00 0.00 0.00 33.01 33.32 2b3i s GLN 4 CO 0.23 0.18 0.03 0.42 -2.12 0.00 0.00 175.29 174.03 2b3i s ILE 5 N -1.01 2.91 0.10 1.08 -1.09 0.51 -4.64 121.20 119.06 2b3i s ILE 5 Ca -0.02 -1.59 -0.24 0.00 -2.23 0.00 0.00 60.65 56.57 2b3i s ILE 5 Cb -0.08 -2.77 -0.07 0.00 -1.58 0.00 0.00 42.46 37.96 2b3i s ILE 5 CO 0.01 -0.24 0.75 -0.54 -1.23 0.00 0.00 174.94 173.69 2b3i s LYS 6 N 1.19 4.50 -0.41 2.79 1.02 0.53 -1.72 119.74 127.64 2b3i s LYS 6 Ca -0.02 1.07 -0.15 0.00 0.02 0.00 0.00 55.97 56.89 2b3i s LYS 6 Cb -0.20 -3.30 0.02 0.00 -0.52 0.00 0.00 37.83 33.82 2b3i s LYS 6 CO -0.02 0.45 0.30 -1.64 -0.92 0.00 0.00 175.35 173.52 2b3i s MET 7 N -0.66 3.00 0.00 1.68 -1.94 0.93 -1.18 119.30 121.12 2b3i s MET 7 Ca 0.36 -1.00 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 2b3i s MET 7 Cb -0.22 -3.97 0.00 0.00 2.01 0.00 0.00 34.83 32.65 2b3i s MET 7 CO 0.24 -0.73 0.00 0.41 -0.01 0.00 0.00 175.02 174.93 2b3i n GLY 8 N 5.16 2.09 3.35 -0.03 0.00 0.15 0.19 105.19 116.10 2b3i n GLY 8 Ca -0.11 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.76 1.89 -0.19 2.61 -4.23 0.60 -4.38 115.64 109.17 2b3i s THR 9 Ca 0.00 -2.03 0.23 0.00 -1.18 0.00 0.00 61.69 58.71 2b3i s THR 9 Cb 0.00 -1.94 0.23 0.00 1.34 0.00 0.00 72.50 72.13 2b3i s THR 9 CO 0.00 -0.38 1.70 -0.78 -0.54 0.00 0.00 174.62 174.62 2b3i h ASP 10 N 3.00 0.00 -0.58 3.99 1.82 -1.93 -1.92 116.42 120.80 2b3i h ASP 10 Ca -0.41 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 55.86 2b3i h ASP 10 Cb 1.21 0.00 -0.15 0.00 0.68 0.00 0.00 39.33 41.07 2b3i h ASP 10 CO 0.54 0.00 0.44 1.17 -1.61 0.00 0.00 179.24 179.78 2b3i n LYS 11 N -2.30 1.93 -2.51 0.28 4.81 -1.26 -4.79 118.16 114.33 2b3i n LYS 11 Ca -0.01 -1.76 -0.02 0.00 -0.87 0.00 0.00 58.31 55.64 2b3i n LYS 11 Cb 0.06 -1.72 -0.00 0.00 0.02 0.00 0.00 35.03 33.38 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 0.36 -1.84 -3.49 5.64 4.01 -0.73 -4.83 117.16 116.27 2b3i n TYR 12 Ca 0.34 0.04 -0.42 0.00 -0.16 0.00 0.00 57.90 57.70 2b3i n TYR 12 Cb 0.58 -0.99 -0.09 0.00 -0.31 0.00 0.00 39.34 38.52 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 -1.96 3.42 -1.22 -0.72 0.00 -1.19 -4.94 121.76 115.15 2b3i s ALA 13 Ca 0.05 -1.92 -0.20 0.00 0.00 0.00 0.00 51.96 49.89 2b3i s ALA 13 Cb -0.03 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 2b3i s ALA 13 CO 0.06 -1.56 1.88 -0.35 0.00 0.00 0.00 175.76 175.78 2b3i n PRO 14 N 5.09 2.38 -4.06 0.00 -0.04 -1.26 -0.30 135.00 136.81 2b3i n PRO 14 Ca -0.11 -2.76 -0.08 0.00 -0.04 0.00 0.00 63.50 60.51 2b3i n PRO 14 Cb 0.45 -3.51 -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 6.40 2.19 0.26 1.53 0.05 -1.26 -4.25 118.68 123.59 2b3i s LEU 15 Ca 0.59 -0.97 -0.30 0.00 0.05 0.00 0.00 54.13 53.50 2b3i s LEU 15 Cb 0.04 0.37 -0.09 0.00 -2.05 0.00 0.00 46.19 44.46 2b3i s LEU 15 CO 0.09 -0.65 1.02 -0.31 -0.55 0.00 0.00 176.35 175.96 2b3i s TYR 16 N -3.93 3.78 -0.05 3.48 2.02 -1.26 0.31 117.35 121.69 2b3i s TYR 16 Ca 0.09 1.80 -0.03 0.00 -0.37 0.00 0.00 57.07 58.57 2b3i s TYR 16 Cb 0.07 -3.14 0.03 0.00 -0.40 0.00 0.00 41.96 38.52 2b3i s TYR 16 CO -0.08 -0.06 0.12 -2.00 -1.57 0.00 0.00 175.55 171.95 2b3i s GLU 17 N -1.28 0.09 0.31 -0.62 2.12 -0.33 -2.52 118.70 116.47 2b3i s GLU 17 Ca 0.43 0.26 -0.28 0.00 0.36 0.00 0.00 54.97 55.74 2b3i s GLU 17 Cb -0.29 -0.09 -0.09 0.00 0.26 0.00 0.00 34.13 33.92 2b3i s GLU 17 CO 0.37 -0.10 1.07 -1.25 -0.54 0.00 0.00 175.26 174.80 2b3i s PRO 18 N 0.70 4.54 0.41 4.30 0.04 -1.26 -0.35 135.00 143.38 2b3i s PRO 18 Ca -0.05 1.70 0.29 0.00 0.04 0.00 0.00 61.00 62.98 2b3i s PRO 18 Cb -0.07 -3.04 1.40 0.00 0.04 0.00 0.00 34.50 32.83 2b3i s PRO 18 CO -0.03 0.15 1.50 1.63 0.04 0.00 0.00 177.00 180.29 2b3i n LYS 19 N 0.90 -0.04 -4.24 4.56 5.02 -1.05 -4.21 118.16 119.10 2b3i n LYS 19 Ca 0.00 1.23 -0.22 0.00 -2.02 0.00 0.00 58.31 57.30 2b3i n LYS 19 Cb 0.46 -2.37 -0.12 0.00 -0.02 0.00 0.00 35.03 32.98 2b3i n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2b3i s ALA 20 N -5.24 1.57 -0.05 7.82 0.00 -1.26 -2.22 121.76 122.38 2b3i s ALA 20 Ca -0.07 -1.17 -0.11 0.00 0.00 0.00 0.00 51.96 50.61 2b3i s ALA 20 Cb 0.30 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.26 2b3i s ALA 20 CO 0.78 0.27 0.25 -1.17 0.00 0.00 0.00 175.76 175.89 2b3i s LEU 21 N -1.90 1.07 0.03 0.00 2.96 -0.70 -4.94 118.68 115.20 2b3i s LEU 21 Ca 0.04 0.23 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 2b3i s LEU 21 Cb -0.10 0.97 -0.02 0.00 0.50 0.00 0.00 46.19 47.54 2b3i s LEU 21 CO 0.04 -0.26 -0.13 -0.55 -1.32 0.00 0.00 176.35 174.12 2b3i s SER 22 N -0.65 1.57 0.20 3.68 0.15 -1.26 -0.59 113.70 116.79 2b3i s SER 22 Ca -0.07 -0.41 -0.05 0.00 0.70 0.00 0.00 55.95 56.11 2b3i s SER 22 Cb -0.04 -0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.18 2b3i s SER 22 CO 0.02 0.04 0.35 2.30 1.20 0.00 0.00 173.24 177.15 2b3i n ILE 23 N 2.05 0.00 -4.46 6.45 -5.35 0.51 -4.85 119.36 113.70 2b3i n ILE 23 Ca -0.17 -0.70 -0.23 0.00 -0.27 0.00 0.00 62.75 61.38 2b3i n ILE 23 Cb 0.55 0.55 -0.10 0.00 -1.74 0.00 0.00 39.64 38.89 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 -2.12 3.10 -0.37 7.28 0.01 -1.26 0.19 113.70 120.54 2b3i s SER 24 Ca 0.11 -1.18 -0.27 0.00 1.31 0.00 0.00 55.95 55.92 2b3i s SER 24 Cb -0.02 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 2b3i s SER 24 CO 0.08 -0.27 2.13 0.00 0.41 0.00 0.00 173.24 175.59 2b3i s ALA 25 N -2.86 2.39 0.00 1.44 0.00 -1.26 -0.76 121.76 120.71 2b3i s ALA 25 Ca 0.30 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2b3i s ALA 25 Cb 0.03 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 18.98 2b3i s ALA 25 CO 0.13 -3.35 0.00 0.41 0.00 0.00 0.00 175.76 172.95 2b3i n GLY 26 N 5.74 1.17 3.92 0.00 0.00 -0.16 -4.90 105.19 110.96 2b3i n GLY 26 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 3.81 0.12 1.61 1.11 0.06 -4.77 116.67 117.29 2b3i s ASP 27 Ca 0.00 0.52 0.10 0.00 0.18 0.00 0.00 52.55 53.35 2b3i s ASP 27 Cb 0.00 -0.79 -0.04 0.00 1.07 0.00 0.00 42.92 43.16 2b3i s ASP 27 CO 0.00 -2.32 -0.23 -0.89 1.18 0.00 0.00 175.17 172.90 2b3i s THR 28 N -3.74 1.98 -0.41 -1.27 2.01 -1.26 -1.15 115.64 111.81 2b3i s THR 28 Ca 0.68 -1.69 0.02 0.00 0.31 0.00 0.00 61.69 61.01 2b3i s THR 28 Cb -0.07 -1.79 0.13 0.00 0.01 0.00 0.00 72.50 70.77 2b3i s THR 28 CO 0.51 -0.02 0.20 -0.69 -0.69 0.00 0.00 174.62 173.93 2b3i s VAL 29 N -1.21 1.34 0.93 3.82 1.01 -0.57 0.68 120.40 126.41 2b3i s VAL 29 Ca 0.11 -2.32 -0.12 0.00 0.00 0.00 0.00 61.98 59.65 2b3i s VAL 29 Cb -0.10 -1.95 0.15 0.00 0.00 0.00 0.00 36.38 34.48 2b3i s VAL 29 CO 0.05 -0.84 1.10 -0.70 0.00 0.00 0.00 175.10 174.72 2b3i s GLU 30 N 0.62 0.96 -0.11 2.72 -6.30 0.49 -3.73 118.70 113.36 2b3i s GLU 30 Ca 0.16 0.53 -0.05 0.00 -2.50 0.00 0.00 54.97 53.11 2b3i s GLU 30 Cb -0.23 -1.80 0.05 0.00 0.00 0.00 0.00 34.13 32.16 2b3i s GLU 30 CO -0.05 -2.37 0.24 -0.06 0.02 0.00 0.00 175.26 173.05 2b3i s PHE 31 N -3.06 -0.35 0.03 5.30 0.08 -0.66 0.19 117.98 119.51 2b3i s PHE 31 Ca 0.64 0.84 0.02 0.00 0.12 0.00 0.00 56.93 58.54 2b3i s PHE 31 Cb -0.17 -0.00 -0.02 0.00 -0.57 0.00 0.00 43.02 42.26 2b3i s PHE 31 CO 0.56 -0.28 -0.06 0.54 -0.10 0.00 0.00 175.22 175.88 2b3i s VAL 32 N 1.74 0.41 -0.36 -0.44 0.11 -0.70 -1.02 120.40 120.14 2b3i s VAL 32 Ca -0.05 -0.90 -0.29 0.00 -2.93 0.00 0.00 61.98 57.81 2b3i s VAL 32 Cb -0.11 -0.48 0.01 0.00 -1.53 0.00 0.00 36.38 34.28 2b3i s VAL 32 CO -0.08 -0.34 1.20 -0.04 -3.33 0.00 0.00 175.10 172.51 2b3i s MET 33 N -1.32 3.89 -0.01 1.54 -1.94 -1.03 -0.05 119.30 120.39 2b3i s MET 33 Ca -0.10 1.01 -0.03 0.00 -1.71 0.00 0.00 55.69 54.87 2b3i s MET 33 Cb -0.09 -3.85 -0.01 0.00 2.01 0.00 0.00 34.83 32.89 2b3i s MET 33 CO 0.00 -1.15 0.36 -0.97 -0.01 0.00 0.00 175.02 173.25 2b3i h ASN 34 N 9.00 -0.08 -3.10 3.03 -1.24 0.18 -3.42 115.58 119.96 2b3i h ASN 34 Ca -0.24 0.00 0.18 0.00 0.71 0.00 0.00 56.30 56.95 2b3i h ASN 34 Cb 1.08 0.02 -0.28 0.00 0.73 0.00 0.00 38.32 39.87 2b3i h ASN 34 CO 1.06 0.01 0.80 -0.75 -1.29 0.00 0.00 177.43 177.26 2b3i s LYS 35 N -1.92 0.22 0.00 6.67 2.20 -0.08 -4.93 119.74 121.90 2b3i s LYS 35 Ca -0.01 0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 2b3i s LYS 35 Cb 0.00 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 2b3i s LYS 35 CO 0.04 -0.06 0.00 0.28 -0.36 0.00 0.00 175.35 175.25 2b3i n VAL 36 N 1.01 -0.73 -2.92 4.02 0.31 -1.26 -4.14 118.33 114.61 2b3i n VAL 36 Ca -0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.24 2b3i n VAL 36 Cb 0.58 -2.55 0.01 0.00 -0.91 0.00 0.00 33.84 30.97 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 -0.74 1.80 3.78 2.92 0.00 -1.26 -4.79 105.19 106.90 2b3i n GLY 37 Ca 0.00 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.39 0.32 0.05 1.61 0.04 -1.26 -5.10 135.00 128.27 2b3i s PRO 38 Ca 0.08 -0.03 0.01 0.00 0.04 0.00 0.00 61.00 61.09 2b3i s PRO 38 Cb -0.01 -1.77 -0.00 0.00 0.04 0.00 0.00 34.50 32.76 2b3i s PRO 38 CO 0.05 -2.69 0.02 0.72 0.04 0.00 0.00 177.00 175.14 2b3i n HIS 39 N -4.05 0.01 -3.46 0.56 8.25 -1.25 -4.78 115.22 110.51 2b3i n HIS 39 Ca 0.11 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2b3i n HIS 39 Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 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 -2.04 0.00 -3.42 0.41 6.94 -1.26 -3.19 115.26 112.70 2b3i n ASN 40 Ca -0.01 -0.61 -0.24 0.00 -0.02 0.00 0.00 54.58 53.70 2b3i n ASN 40 Cb 0.07 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.39 2b3i n ASN 40 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2b3i s VAL 41 N -2.15 -0.04 -0.38 3.53 1.01 -1.16 -4.93 120.40 116.28 2b3i s VAL 41 Ca 0.00 -1.46 0.04 0.00 0.00 0.00 0.00 61.98 60.56 2b3i s VAL 41 Cb 0.00 -0.94 0.11 0.00 0.00 0.00 0.00 36.38 35.54 2b3i s VAL 41 CO 0.00 -0.84 0.10 -0.63 0.00 0.00 0.00 175.10 173.73 2b3i s ILE 42 N 1.18 2.24 0.86 2.22 -1.09 -1.24 -0.22 121.20 125.15 2b3i s ILE 42 Ca 0.18 -2.50 -0.10 0.00 -2.23 0.00 0.00 60.65 55.99 2b3i s ILE 42 Cb -0.20 -2.64 0.11 0.00 -1.58 0.00 0.00 42.46 38.16 2b3i s ILE 42 CO -0.01 -0.65 1.12 -0.36 -1.23 0.00 0.00 174.94 173.81 2b3i s PHE 43 N 0.68 2.03 -0.19 3.97 0.08 -1.26 -1.98 117.98 121.30 2b3i s PHE 43 Ca 0.12 1.66 -0.20 0.00 0.12 0.00 0.00 56.93 58.64 2b3i s PHE 43 Cb -0.20 -3.21 -0.20 0.00 -0.57 0.00 0.00 43.02 38.83 2b3i s PHE 43 CO -0.07 -2.41 0.25 0.22 -0.10 0.00 0.00 175.22 173.10 2b3i h ASP 44 N -1.58 0.06 0.00 1.36 1.82 -0.48 -3.45 116.42 114.15 2b3i h ASP 44 Ca -0.44 -0.58 0.00 0.00 -0.39 0.00 0.00 57.03 55.62 2b3i h ASP 44 Cb 1.26 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.25 2b3i h ASP 44 CO 0.46 1.53 0.00 0.29 -1.61 0.00 0.00 179.24 179.92 2b3i n LYS 45 N -4.31 0.00 -4.31 0.28 5.02 -1.23 -4.91 118.16 108.70 2b3i n LYS 45 Ca -0.32 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.79 2b3i n LYS 45 Cb 0.73 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.64 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 -1.53 1.58 0.72 -0.18 -7.23 -1.26 -3.75 120.40 108.74 2b3i s VAL 46 Ca 0.00 -2.05 -0.11 0.00 -1.81 0.00 0.00 61.98 58.01 2b3i s VAL 46 Cb 0.00 -1.88 0.02 0.00 0.56 0.00 0.00 36.38 35.08 2b3i s VAL 46 CO 0.00 -0.55 1.07 -2.16 -0.31 0.00 0.00 175.10 173.15 2b3i s PRO 47 N -3.35 2.75 0.12 4.82 0.04 -1.26 -4.80 135.00 133.32 2b3i s PRO 47 Ca 0.18 0.88 -0.32 0.00 0.04 0.00 0.00 61.00 61.78 2b3i s PRO 47 Cb -0.02 -1.97 -0.18 0.00 0.04 0.00 0.00 34.50 32.37 2b3i s PRO 47 CO 0.05 -1.21 0.72 0.00 0.04 0.00 0.00 177.00 176.60 2b3i n ALA 48 N -3.19 -3.16 0.00 8.56 0.00 -1.26 -3.48 120.51 117.98 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 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 1.80 3.44 1.13 0.00 0.00 -1.26 -4.87 105.19 105.43 2b3i n GLY 49 Ca 0.19 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 1.25 -3.58 1.61 0.00 -1.23 -4.78 120.64 113.92 2b3i n GLU 50 Ca 0.00 -1.02 -0.27 0.00 0.00 0.00 0.00 57.16 55.87 2b3i n GLU 50 Cb 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 31.44 31.45 2b3i n GLU 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2b3i n SER 51 N -1.96 1.69 0.06 4.31 7.64 -1.26 -4.94 113.62 119.15 2b3i n SER 51 Ca -0.01 -2.92 -0.11 0.00 1.01 0.00 0.00 58.87 56.84 2b3i n SER 51 Cb 0.19 -0.66 -0.05 0.00 -1.01 0.00 0.00 64.21 62.68 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 5.10 -0.24 0.00 -0.43 0.00 -1.94 -2.13 119.26 119.62 2b3i h ALA 52 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 2b3i h ALA 52 Cb 0.80 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2b3i h ALA 52 CO 0.60 -0.69 0.14 -0.35 0.00 0.00 0.00 179.25 178.95 2b3i n PRO 53 N -5.32 1.62 0.00 0.00 -0.04 -1.26 -2.71 135.00 127.29 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 0.24 -1.94 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 2.75 0.07 0.21 0.55 0.00 -0.94 -4.89 120.51 118.26 2b3i n ALA 54 Ca 0.35 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.85 2b3i n ALA 54 Cb 0.64 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.56 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 -8.56 0.00 3.38 -1.19 -3.43 115.31 105.51 2b3i h LEU 55 Ca 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 2b3i h LEU 55 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2b3i h LEU 55 CO 0.00 0.29 1.31 -1.20 0.09 0.00 0.00 178.44 178.93 2b3i n SER 56 N -3.79 1.96 -4.44 -0.43 7.64 -1.17 -4.90 113.62 108.49 2b3i n SER 56 Ca -0.01 0.57 -0.36 0.00 1.01 0.00 0.00 58.87 60.08 2b3i n SER 56 Cb 0.38 -1.18 -0.13 0.00 -1.01 0.00 0.00 64.21 62.27 2b3i n SER 56 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2b3i s ASN 57 N 6.44 5.08 -0.16 6.43 2.47 0.69 -4.95 114.94 130.93 2b3i s ASN 57 Ca 1.09 -0.21 0.05 0.00 0.42 0.00 0.00 52.86 54.22 2b3i s ASN 57 Cb -1.00 -1.91 0.40 0.00 -1.45 0.00 0.00 41.25 37.29 2b3i s ASN 57 CO 0.55 -0.02 1.27 1.07 -3.72 0.00 0.00 177.10 176.24 2b3i n THR 58 N 4.85 1.70 -1.59 -5.21 5.66 -1.26 -3.00 114.28 115.43 2b3i n THR 58 Ca -0.16 -0.83 -0.35 0.00 -3.05 0.00 0.00 64.05 59.66 2b3i n THR 58 Cb 0.51 -0.51 -0.04 0.00 -1.55 0.00 0.00 70.33 68.75 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 0.07 3.77 -1.68 1.09 4.81 -1.26 -4.94 118.16 120.02 2b3i n LYS 59 Ca 0.21 -2.63 -0.49 0.00 -0.87 0.00 0.00 58.31 54.52 2b3i n LYS 59 Cb 0.88 -2.57 -0.05 0.00 0.02 0.00 0.00 35.03 33.31 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 2.38 3.29 -4.64 3.14 -0.00 -1.26 -4.90 117.00 115.02 2b3i n LEU 60 Ca 0.65 0.96 -0.42 0.00 -0.00 0.00 0.00 56.01 57.20 2b3i n LEU 60 Cb 0.34 -1.34 -0.04 0.00 -0.00 0.00 0.00 43.42 42.38 2b3i n LEU 60 CO 0.65 -0.12 0.63 0.00 -0.00 0.00 0.00 177.39 178.55 2b3i s ALA 61 N 4.21 3.64 0.04 1.47 0.00 -1.19 -4.91 121.76 125.02 2b3i s ALA 61 Ca 0.94 -0.14 -0.20 0.00 0.00 0.00 0.00 51.96 52.56 2b3i s ALA 61 Cb -0.74 -3.26 -0.14 0.00 0.00 0.00 0.00 23.12 18.98 2b3i s ALA 61 CO 0.53 -0.89 1.36 0.82 0.00 0.00 0.00 175.76 177.58 2b3i h ILE 62 N 5.41 1.34 -3.79 0.00 1.08 -1.90 -3.31 117.51 116.34 2b3i h ILE 62 Ca -0.24 -1.27 -0.49 0.00 -0.39 0.00 0.00 64.86 62.47 2b3i h ILE 62 Cb 1.10 1.82 -0.01 0.00 -3.07 0.00 0.00 36.82 36.66 2b3i h ILE 62 CO 0.86 0.38 0.15 0.00 -0.69 0.00 0.00 178.15 178.85 2b3i s ALA 63 N -4.37 3.29 0.11 1.87 0.00 -1.26 -4.73 121.76 116.67 2b3i s ALA 63 Ca -0.14 -0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 2b3i s ALA 63 Cb 0.05 -2.80 -0.06 0.00 0.00 0.00 0.00 23.12 20.31 2b3i s ALA 63 CO 0.75 0.10 1.15 -1.25 0.00 0.00 0.00 175.76 176.52 2b3i s PRO 64 N -3.50 4.50 0.00 0.00 0.04 -1.26 -4.99 135.00 129.79 2b3i s PRO 64 Ca 0.54 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2b3i s PRO 64 Cb -0.10 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.12 2b3i s PRO 64 CO 0.25 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.59 2b3i n GLY 65 N 2.70 0.53 3.55 0.56 0.00 -1.26 -5.02 105.19 106.25 2b3i n GLY 65 Ca 0.06 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 2b3i n GLY 65 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2b3i s SER 66 N 0.00 5.87 0.00 1.61 0.15 -1.26 -2.45 113.70 117.62 2b3i s SER 66 Ca 0.00 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2b3i s SER 66 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2b3i s SER 66 CO 0.00 -2.03 0.16 0.49 1.20 0.00 0.00 173.24 173.07 2b3i n PHE 67 N 10.76 0.00 -3.81 3.44 3.72 -0.19 -4.93 117.46 126.46 2b3i n PHE 67 Ca 0.19 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.56 2b3i n PHE 67 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2b3i n PHE 67 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2b3i s TYR 68 N -0.37 -0.02 0.12 1.38 -0.85 -1.17 -5.02 117.35 111.40 2b3i s TYR 68 Ca 0.00 -0.32 0.09 0.00 -0.52 0.00 0.00 57.07 56.32 2b3i s TYR 68 Cb 0.00 0.67 -0.04 0.00 0.38 0.00 0.00 41.96 42.97 2b3i s TYR 68 CO 0.00 -0.85 -0.22 -1.12 -1.52 0.00 0.00 175.55 171.84 2b3i s SER 69 N -3.17 2.80 -0.08 -0.18 0.01 -1.26 -1.65 113.70 110.17 2b3i s SER 69 Ca 0.17 -0.73 -0.06 0.00 1.31 0.00 0.00 55.95 56.64 2b3i s SER 69 Cb -0.02 -0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.08 2b3i s SER 69 CO 0.03 0.08 0.21 0.68 0.41 0.00 0.00 173.24 174.66 2b3i s VAL 70 N -1.24 -0.02 -0.15 3.43 -7.23 -1.24 -4.99 120.40 108.96 2b3i s VAL 70 Ca 0.10 0.06 -0.18 0.00 -1.81 0.00 0.00 61.98 60.15 2b3i s VAL 70 Cb -0.09 -0.31 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 2b3i s VAL 70 CO 0.05 0.02 0.47 -0.89 -0.31 0.00 0.00 175.10 174.44 2b3i s THR 71 N 0.51 5.18 0.48 5.32 2.01 -1.26 -1.51 115.64 126.38 2b3i s THR 71 Ca -0.03 0.90 0.08 0.00 0.31 0.00 0.00 61.69 62.95 2b3i s THR 71 Cb -0.05 -3.80 0.03 0.00 0.01 0.00 0.00 72.50 68.69 2b3i s THR 71 CO -0.03 0.29 0.58 -0.76 -0.69 0.00 0.00 174.62 174.01 2b3i s LEU 72 N 0.91 3.32 0.08 4.42 2.01 -0.30 -4.99 118.68 124.13 2b3i s LEU 72 Ca 0.24 -0.72 0.00 0.00 0.01 0.00 0.00 54.13 53.66 2b3i s LEU 72 Cb -0.15 -2.04 0.00 0.00 0.01 0.00 0.00 46.19 44.01 2b3i s LEU 72 CO 0.09 -0.96 0.00 0.61 1.01 0.00 0.00 176.35 177.10 2b3i n GLY 73 N -1.90 -0.68 3.65 -3.19 0.00 -1.26 -0.99 105.19 100.82 2b3i n GLY 73 Ca 0.08 0.10 -0.56 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.69 0.13 -2.51 2.61 -1.04 -1.26 -4.15 114.28 105.36 2b3i n THR 74 Ca 0.00 -0.02 -0.39 0.00 -2.04 0.00 0.00 64.05 61.59 2b3i n THR 74 Cb 0.00 -0.90 -0.04 0.00 -1.82 0.00 0.00 70.33 67.57 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 1.96 4.55 0.00 -2.82 0.04 -1.26 -4.67 135.00 132.80 2b3i s PRO 75 Ca 0.93 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.68 2b3i s PRO 75 Cb -1.08 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2b3i s PRO 75 CO 0.59 0.16 0.00 0.41 0.04 0.00 0.00 177.00 178.19 2b3i n GLY 76 N 1.02 0.87 3.52 0.56 0.00 -1.21 -4.93 105.19 105.03 2b3i n GLY 76 Ca 0.00 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.12 4.72 -0.13 2.61 -1.32 -1.26 -1.42 115.64 117.73 2b3i s THR 77 Ca 0.00 -0.03 -0.11 0.00 -1.21 0.00 0.00 61.69 60.34 2b3i s THR 77 Cb 0.00 -3.21 -0.05 0.00 -1.51 0.00 0.00 72.50 67.73 2b3i s THR 77 CO 0.00 0.33 0.23 -0.31 -2.21 0.00 0.00 174.62 172.66 2b3i s TYR 78 N 1.47 3.54 0.08 9.09 1.51 0.50 -4.67 117.35 128.88 2b3i s TYR 78 Ca 0.06 0.59 0.07 0.00 -1.01 0.00 0.00 57.07 56.78 2b3i s TYR 78 Cb -0.15 -2.16 -0.04 0.00 -0.11 0.00 0.00 41.96 39.50 2b3i s TYR 78 CO 0.06 0.49 -0.13 -1.54 -1.11 0.00 0.00 175.55 173.31 2b3i s SER 79 N -0.32 4.18 0.31 2.29 1.04 -1.25 -0.08 113.70 119.88 2b3i s SER 79 Ca 0.16 -0.41 -0.11 0.00 0.48 0.00 0.00 55.95 56.07 2b3i s SER 79 Cb -0.13 -0.75 0.01 0.00 0.10 0.00 0.00 66.02 65.26 2b3i s SER 79 CO 0.04 0.20 0.57 0.72 0.98 0.00 0.00 173.24 175.75 2b3i s PHE 80 N -1.12 0.50 0.02 5.02 -0.71 -0.99 0.27 117.98 120.97 2b3i s PHE 80 Ca 0.19 -0.89 -0.27 0.00 -1.04 0.00 0.00 56.93 54.91 2b3i s PHE 80 Cb -0.11 0.29 0.09 0.00 -1.21 0.00 0.00 43.02 42.08 2b3i s PHE 80 CO 0.11 -1.19 0.78 1.52 -1.34 0.00 0.00 175.22 175.09 2b3i s TYR 81 N -3.31 -0.46 -0.01 3.49 -0.85 -0.84 -2.76 117.35 112.62 2b3i s TYR 81 Ca 0.23 0.43 -0.27 0.00 -0.52 0.00 0.00 57.07 56.94 2b3i s TYR 81 Cb -0.02 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 2b3i s TYR 81 CO 0.13 -0.63 0.84 0.00 -1.52 0.00 0.00 175.55 174.37 2b3i h THR 83 N 4.61 1.05 -0.01 0.00 2.02 -1.92 -1.11 112.91 117.55 2b3i h THR 83 Ca -0.42 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 2b3i h THR 83 Cb 1.21 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2b3i h THR 83 CO 0.74 0.08 -0.09 1.55 0.37 0.00 0.00 175.52 178.17 2b3i h PRO 84 N -0.21 0.07 -1.78 6.66 0.13 -1.93 -3.26 132.00 131.69 2b3i h PRO 84 Ca -0.01 -0.07 -0.34 0.00 -0.87 0.00 0.00 66.00 64.71 2b3i h PRO 84 Cb 0.18 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.20 2b3i h PRO 84 CO 0.01 0.80 0.28 0.72 -0.23 0.00 0.00 178.00 179.58 2b3i n HIS 85 N -4.65 1.26 0.12 1.56 8.25 -1.23 -4.27 115.22 116.26 2b3i n HIS 85 Ca -0.09 -1.83 -0.23 0.00 -0.26 0.00 0.00 57.72 55.32 2b3i n HIS 85 Cb 0.41 -1.13 -0.15 0.00 1.12 0.00 0.00 29.99 30.23 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 2.12 0.45 0.01 -0.41 0.11 -1.24 -2.57 114.38 112.84 2b3i h ARG 86 Ca 0.29 -0.77 -0.28 0.00 0.10 0.00 0.00 59.98 59.31 2b3i h ARG 86 Cb 0.92 0.29 -0.04 0.00 1.11 0.00 0.00 29.97 32.24 2b3i h ARG 86 CO 0.68 1.36 -1.60 0.78 0.10 0.00 0.00 179.97 181.29 2b3i h GLY 87 N 0.59 0.02 2.00 0.08 0.00 -1.85 -3.29 103.07 100.61 2b3i h GLY 87 Ca -0.26 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2b3i h GLY 87 CO 0.24 0.04 0.00 0.00 0.00 0.00 0.00 176.54 176.82 2b3i n ALA 88 N -2.54 1.37 -1.07 3.60 0.00 -1.26 -4.89 120.51 115.72 2b3i n ALA 88 Ca -0.15 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2b3i n ALA 88 Cb 1.03 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.61 -1.52 2.53 0.00 0.00 -1.22 -4.95 105.19 99.42 2b3i n GLY 89 Ca 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.11 0.40 -4.53 1.61 0.00 -0.97 -4.43 117.12 109.08 2b3i n MET 90 Ca 0.00 -2.68 -0.25 0.00 0.00 0.00 0.00 57.70 54.77 2b3i n MET 90 Cb 0.00 -1.54 -0.14 0.00 0.00 0.00 0.00 33.22 31.54 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 0.28 1.74 0.28 1.12 -7.23 -1.26 -1.65 120.40 113.68 2b3i s VAL 91 Ca 0.32 -1.35 0.04 0.00 -1.81 0.00 0.00 61.98 59.18 2b3i s VAL 91 Cb 0.05 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 2b3i s VAL 91 CO -0.14 0.12 0.20 -0.83 -0.31 0.00 0.00 175.10 174.14 2b3i s GLY 92 N -1.46 1.98 0.06 2.32 0.00 -1.11 -4.52 107.32 104.58 2b3i s GLY 92 Ca 0.08 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.93 2b3i s GLY 92 CO 0.03 -1.48 -0.04 -1.59 0.00 0.00 0.00 173.10 170.02 2b3i s THR 93 N -3.72 0.36 -0.10 0.90 2.01 -0.94 -2.36 115.64 111.79 2b3i s THR 93 Ca 0.39 -1.74 -0.05 0.00 0.31 0.00 0.00 61.69 60.60 2b3i s THR 93 Cb 0.05 -1.42 0.05 0.00 0.01 0.00 0.00 72.50 71.19 2b3i s THR 93 CO 0.20 -0.89 0.23 -0.63 -0.69 0.00 0.00 174.62 172.84 2b3i s ILE 94 N -3.50 -0.11 0.02 1.82 1.01 0.89 -1.72 121.20 119.60 2b3i s ILE 94 Ca 0.06 0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.91 2b3i s ILE 94 Cb 0.05 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 42.11 2b3i s ILE 94 CO -0.07 0.07 -0.02 -0.89 0.00 0.00 0.00 174.94 174.04 2b3i s THR 95 N 1.48 4.00 -0.56 2.92 2.01 0.24 0.19 115.64 125.92 2b3i s THR 95 Ca -0.07 -0.72 0.05 0.00 0.31 0.00 0.00 61.69 61.26 2b3i s THR 95 Cb -0.11 -2.80 0.19 0.00 0.01 0.00 0.00 72.50 69.79 2b3i s THR 95 CO -0.08 0.33 0.49 0.52 -0.69 0.00 0.00 174.62 175.19 2b3i n VAL 96 N 1.26 0.56 1.45 3.82 0.31 -0.51 0.19 118.33 125.42 2b3i n VAL 96 Ca -0.14 -4.36 0.14 0.00 -0.01 0.00 0.00 64.34 59.97 2b3i n VAL 96 Cb 0.52 -1.98 0.48 0.00 -0.91 0.00 0.00 33.84 31.96 2b3i n VAL 96 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72