#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 -5.69 -4.80 0.00 7.64 -1.26 -5.03 113.62 104.49 2b3i n SER 2 Ca 0.00 0.96 -0.30 0.00 1.01 0.00 0.00 58.87 60.54 2b3i n SER 2 Cb 0.00 -3.90 -0.06 0.00 -1.01 0.00 0.00 64.21 59.24 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 -1.05 1.45 0.08 0.44 -7.23 -0.87 -5.01 120.40 108.21 2b3i s VAL 3 Ca -0.01 -1.82 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 2b3i s VAL 3 Cb 0.00 -2.27 -0.00 0.00 0.56 0.00 0.00 36.38 34.67 2b3i s VAL 3 CO 0.53 0.00 0.18 0.00 -0.31 0.00 0.00 175.10 175.49 2b3i s GLN 4 N -3.99 0.81 -0.18 4.82 -2.07 -1.26 0.32 119.66 118.11 2b3i s GLN 4 Ca 0.19 -0.94 0.01 0.00 -1.82 0.00 0.00 55.36 52.80 2b3i s GLN 4 Cb 0.01 0.33 0.03 0.00 -1.09 0.00 0.00 33.01 32.29 2b3i s GLN 4 CO 0.11 -0.25 -0.15 0.42 -1.32 0.00 0.00 175.29 174.10 2b3i s ILE 5 N -3.71 1.82 -0.12 3.63 -1.09 0.51 -4.46 121.20 117.77 2b3i s ILE 5 Ca 0.04 -0.94 -0.11 0.00 -2.23 0.00 0.00 60.65 57.41 2b3i s ILE 5 Cb 0.04 -1.75 -0.05 0.00 -1.58 0.00 0.00 42.46 39.12 2b3i s ILE 5 CO -0.10 0.36 0.23 -0.54 -1.23 0.00 0.00 174.94 173.65 2b3i s LYS 6 N 1.36 3.88 -0.46 2.79 1.02 0.50 -0.14 119.74 128.69 2b3i s LYS 6 Ca 0.02 0.02 -0.07 0.00 0.02 0.00 0.00 55.97 55.95 2b3i s LYS 6 Cb -0.15 -3.30 0.12 0.00 -0.52 0.00 0.00 37.83 33.98 2b3i s LYS 6 CO -0.10 0.54 0.30 -1.64 -0.92 0.00 0.00 175.35 173.53 2b3i s MET 7 N -0.40 2.33 0.00 1.68 -1.94 0.00 0.12 119.30 121.08 2b3i s MET 7 Ca 0.16 -1.80 0.00 0.00 -1.71 0.00 0.00 55.69 52.34 2b3i s MET 7 Cb -0.13 -3.81 0.00 0.00 2.01 0.00 0.00 34.83 32.90 2b3i s MET 7 CO 0.05 -1.16 0.00 0.41 -0.01 0.00 0.00 175.02 174.31 2b3i n GLY 8 N 4.78 2.81 3.93 -0.03 0.00 0.16 -0.24 105.19 116.59 2b3i n GLY 8 Ca -0.06 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.05 4.87 0.38 2.61 -4.23 0.18 -4.46 115.64 113.93 2b3i s THR 9 Ca 0.00 -1.11 0.30 0.00 -1.18 0.00 0.00 61.69 59.70 2b3i s THR 9 Cb 0.00 -3.67 0.30 0.00 1.34 0.00 0.00 72.50 70.47 2b3i s THR 9 CO 0.00 -0.31 1.91 -0.78 -0.54 0.00 0.00 174.62 174.90 2b3i h ASP 10 N 1.23 0.00 -0.49 3.99 3.58 -1.98 -0.25 116.42 122.49 2b3i h ASP 10 Ca -0.50 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 56.62 2b3i h ASP 10 Cb 1.24 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.14 2b3i h ASP 10 CO 0.60 0.00 0.43 0.29 -2.88 0.00 0.00 179.24 177.68 2b3i n LYS 11 N -2.68 1.83 -2.29 0.28 5.02 -1.26 -4.80 118.16 114.25 2b3i n LYS 11 Ca -0.02 -1.62 0.00 0.00 -2.02 0.00 0.00 58.31 54.65 2b3i n LYS 11 Cb 0.20 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 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 0.28 -1.80 -3.57 2.13 4.01 -0.11 -4.83 117.16 113.27 2b3i n TYR 12 Ca 0.31 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.67 2b3i n TYR 12 Cb 0.60 -0.90 -0.11 0.00 -0.31 0.00 0.00 39.34 38.62 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 3.53 -0.79 -0.72 0.00 -1.18 -4.83 121.76 115.96 2b3i s ALA 13 Ca 0.00 -1.12 -0.26 0.00 0.00 0.00 0.00 51.96 50.59 2b3i s ALA 13 Cb 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.60 2b3i s ALA 13 CO 0.00 -0.62 1.62 -1.25 0.00 0.00 0.00 175.76 175.50 2b3i s PRO 14 N 1.78 2.98 -0.02 0.00 0.04 -1.26 0.47 135.00 138.98 2b3i s PRO 14 Ca 0.07 -0.18 -0.21 0.00 0.04 0.00 0.00 61.00 60.72 2b3i s PRO 14 Cb -0.16 -4.66 0.04 0.00 0.04 0.00 0.00 34.50 29.76 2b3i s PRO 14 CO 0.11 -2.58 0.46 -0.48 0.04 0.00 0.00 177.00 174.55 2b3i s LEU 15 N 7.41 0.25 -0.03 -3.56 0.05 -1.26 -4.66 118.68 116.88 2b3i s LEU 15 Ca 0.54 0.32 -0.30 0.00 0.05 0.00 0.00 54.13 54.73 2b3i s LEU 15 Cb -0.07 1.78 -0.02 0.00 -2.05 0.00 0.00 46.19 45.82 2b3i s LEU 15 CO 0.08 -0.52 0.99 -0.31 -0.55 0.00 0.00 176.35 176.04 2b3i s TYR 16 N -1.35 3.62 -0.08 3.48 2.02 -1.26 0.35 117.35 124.13 2b3i s TYR 16 Ca -0.12 1.67 0.02 0.00 -0.37 0.00 0.00 57.07 58.27 2b3i s TYR 16 Cb -0.03 -3.14 0.01 0.00 -0.40 0.00 0.00 41.96 38.40 2b3i s TYR 16 CO 0.06 -0.07 -0.14 -2.00 -1.57 0.00 0.00 175.55 171.83 2b3i s GLU 17 N 1.29 1.92 0.73 -0.62 2.12 0.32 -2.23 118.70 122.23 2b3i s GLU 17 Ca 0.51 -0.48 -0.11 0.00 0.36 0.00 0.00 54.97 55.25 2b3i s GLU 17 Cb -0.20 -1.59 0.03 0.00 0.26 0.00 0.00 34.13 32.63 2b3i s GLU 17 CO 0.25 0.01 1.07 -1.25 -0.54 0.00 0.00 175.26 174.81 2b3i s PRO 18 N 0.73 2.68 0.31 4.30 0.04 -1.26 0.19 135.00 141.99 2b3i s PRO 18 Ca -0.13 0.86 0.05 0.00 0.04 0.00 0.00 61.00 61.82 2b3i s PRO 18 Cb -0.16 -1.97 0.69 0.00 0.04 0.00 0.00 34.50 33.11 2b3i s PRO 18 CO 0.03 -1.26 1.82 0.87 0.04 0.00 0.00 177.00 178.50 2b3i h LYS 19 N -0.83 0.81 -5.39 4.56 1.57 -1.82 -3.42 116.57 112.05 2b3i h LYS 19 Ca -0.45 -0.05 -0.41 0.00 -1.87 0.00 0.00 60.65 57.87 2b3i h LYS 19 Cb 1.23 -0.18 -0.19 0.00 0.08 0.00 0.00 32.23 33.16 2b3i h LYS 19 CO 0.57 0.54 -0.76 0.00 -0.57 0.00 0.00 179.45 179.23 2b3i s ALA 20 N -5.85 1.40 -0.04 3.86 0.00 -1.26 -3.34 121.76 116.53 2b3i s ALA 20 Ca -0.11 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 50.58 2b3i s ALA 20 Cb 0.23 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.28 2b3i s ALA 20 CO 0.80 0.12 0.14 -1.17 0.00 0.00 0.00 175.76 175.65 2b3i s LEU 21 N -2.27 1.49 -0.00 0.00 2.96 -0.55 -4.95 118.68 115.36 2b3i s LEU 21 Ca 0.06 0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 2b3i s LEU 21 Cb -0.06 0.54 -0.01 0.00 0.50 0.00 0.00 46.19 47.16 2b3i s LEU 21 CO 0.03 -0.15 -0.13 -0.55 -1.32 0.00 0.00 176.35 174.23 2b3i s SER 22 N -0.36 1.48 0.16 3.68 0.15 -1.26 -1.55 113.70 116.01 2b3i s SER 22 Ca -0.04 -0.25 -0.01 0.00 0.70 0.00 0.00 55.95 56.35 2b3i s SER 22 Cb -0.03 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2b3i s SER 22 CO 0.01 0.14 0.22 2.30 1.20 0.00 0.00 173.24 177.11 2b3i n ILE 23 N 2.67 0.00 -4.54 6.45 -5.35 0.24 -4.84 119.36 113.99 2b3i n ILE 23 Ca -0.14 -0.86 -0.25 0.00 -0.27 0.00 0.00 62.75 61.23 2b3i n ILE 23 Cb 0.56 0.52 -0.11 0.00 -1.74 0.00 0.00 39.64 38.87 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 -2.03 3.16 -0.44 7.28 0.01 -1.26 0.20 113.70 120.62 2b3i s SER 24 Ca 0.14 -1.37 -0.27 0.00 1.31 0.00 0.00 55.95 55.76 2b3i s SER 24 Cb -0.00 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.95 2b3i s SER 24 CO 0.10 -0.52 1.90 0.00 0.41 0.00 0.00 173.24 175.13 2b3i s ALA 25 N -2.99 2.49 0.00 1.44 0.00 -1.26 -1.22 121.76 120.23 2b3i s ALA 25 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2b3i s ALA 25 Cb 0.09 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 19.06 2b3i s ALA 25 CO 0.17 -3.27 0.00 0.41 0.00 0.00 0.00 175.76 173.07 2b3i n GLY 26 N 5.59 1.20 3.92 0.00 0.00 -0.31 -4.89 105.19 110.69 2b3i n GLY 26 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.30 4.42 0.17 1.61 1.11 -0.36 -4.80 116.67 117.53 2b3i s ASP 27 Ca 0.00 0.49 0.07 0.00 0.18 0.00 0.00 52.55 53.30 2b3i s ASP 27 Cb 0.00 -0.98 -0.04 0.00 1.07 0.00 0.00 42.92 42.97 2b3i s ASP 27 CO 0.00 -1.90 -0.15 -0.89 1.18 0.00 0.00 175.17 173.41 2b3i s THR 28 N -3.46 1.64 -0.15 -1.27 2.01 -1.26 -1.36 115.64 111.80 2b3i s THR 28 Ca 0.63 -2.02 -0.02 0.00 0.31 0.00 0.00 61.69 60.59 2b3i s THR 28 Cb -0.09 -1.87 0.05 0.00 0.01 0.00 0.00 72.50 70.59 2b3i s THR 28 CO 0.47 -0.49 0.03 -0.69 -0.69 0.00 0.00 174.62 173.25 2b3i s VAL 29 N -2.56 0.45 0.68 3.82 1.01 0.12 -2.04 120.40 121.87 2b3i s VAL 29 Ca 0.17 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 2b3i s VAL 29 Cb -0.03 -0.84 0.04 0.00 0.00 0.00 0.00 36.38 35.55 2b3i s VAL 29 CO 0.06 -0.05 1.01 -0.70 0.00 0.00 0.00 175.10 175.42 2b3i s GLU 30 N 1.91 2.56 -0.05 2.72 2.12 0.15 -2.39 118.70 125.72 2b3i s GLU 30 Ca 0.01 0.03 -0.02 0.00 0.36 0.00 0.00 54.97 55.35 2b3i s GLU 30 Cb -0.15 -2.15 0.04 0.00 0.26 0.00 0.00 34.13 32.13 2b3i s GLU 30 CO -0.07 -1.05 0.10 -0.06 -0.54 0.00 0.00 175.26 173.63 2b3i s PHE 31 N -3.22 -0.08 0.03 5.30 0.40 -0.06 0.19 117.98 120.54 2b3i s PHE 31 Ca 0.58 0.34 0.02 0.00 -0.60 0.00 0.00 56.93 57.27 2b3i s PHE 31 Cb -0.11 -0.18 -0.02 0.00 0.51 0.00 0.00 43.02 43.22 2b3i s PHE 31 CO 0.47 -0.15 -0.07 0.54 0.70 0.00 0.00 175.22 176.72 2b3i s VAL 32 N 1.29 0.44 -0.24 -0.44 0.11 0.81 0.55 120.40 122.91 2b3i s VAL 32 Ca -0.07 -0.95 -0.12 0.00 -2.93 0.00 0.00 61.98 57.91 2b3i s VAL 32 Cb -0.12 -0.51 -0.05 0.00 -1.53 0.00 0.00 36.38 34.17 2b3i s VAL 32 CO -0.05 -0.35 0.21 -0.32 -3.33 0.00 0.00 175.10 171.26 2b3i s MET 33 N -1.40 4.06 -0.07 1.54 1.75 -1.26 -0.82 119.30 123.11 2b3i s MET 33 Ca -0.10 -0.19 -0.01 0.00 -1.25 0.00 0.00 55.69 54.14 2b3i s MET 33 Cb -0.09 -3.57 -0.00 0.00 2.84 0.00 0.00 34.83 34.01 2b3i s MET 33 CO 0.00 -0.01 -0.01 -0.91 -0.65 0.00 0.00 175.02 173.44 2b3i h ASN 34 N 7.68 0.00 -0.09 1.11 4.21 -0.83 -3.46 115.58 124.19 2b3i h ASN 34 Ca -0.37 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.14 2b3i h ASN 34 Cb 1.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.37 2b3i h ASN 34 CO 0.65 0.33 0.00 2.29 -1.29 0.00 0.00 177.43 179.41 2b3i n LYS 35 N -3.76 0.00 -3.96 0.81 0.00 -1.09 -5.00 118.16 105.15 2b3i n LYS 35 Ca -0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.02 2b3i n LYS 35 Cb 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.03 2b3i n LYS 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2b3i n VAL 36 N 0.00 -3.25 -2.53 0.58 3.14 -1.26 -4.50 118.33 110.50 2b3i n VAL 36 Ca 0.00 -0.58 0.00 0.00 -2.96 0.00 0.00 64.34 60.80 2b3i n VAL 36 Cb 0.00 -2.71 0.00 0.00 -1.06 0.00 0.00 33.84 30.07 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 -2.01 4.42 3.76 7.55 0.00 -1.26 -4.79 105.19 112.86 2b3i n GLY 37 Ca -0.27 -2.05 -0.30 0.00 0.00 0.00 0.00 46.02 43.40 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 1.75 -0.53 0.00 1.61 0.04 -1.26 -5.15 135.00 131.45 2b3i s PRO 38 Ca 0.00 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 60.71 2b3i s PRO 38 Cb 0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 2b3i s PRO 38 CO 0.00 -3.21 0.00 0.72 0.04 0.00 0.00 177.00 174.55 2b3i n HIS 39 N -4.35 0.00 0.00 0.56 8.25 -1.26 -4.85 115.22 113.58 2b3i n HIS 39 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 2b3i n HIS 39 Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 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 0.00 0.00 -4.25 0.41 0.23 -1.26 -3.35 115.26 107.03 2b3i n ASN 40 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.62 2b3i n ASN 40 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 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 4.66 -0.72 3.53 1.01 -1.20 -4.61 120.40 121.07 2b3i s VAL 41 Ca 0.00 -1.67 0.04 0.00 0.00 0.00 0.00 61.98 60.35 2b3i s VAL 41 Cb 0.00 -4.03 0.27 0.00 0.00 0.00 0.00 36.38 32.62 2b3i s VAL 41 CO 0.00 -0.82 0.93 -0.38 0.00 0.00 0.00 175.10 174.83 2b3i n ILE 42 N 5.04 3.07 -0.93 2.22 2.08 -1.20 0.70 119.36 130.35 2b3i n ILE 42 Ca -0.10 -5.41 -0.31 0.00 0.56 0.00 0.00 62.75 57.48 2b3i n ILE 42 Cb 0.40 -2.00 0.02 0.00 -0.75 0.00 0.00 39.64 37.32 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 0.77 -3.59 -0.12 1.39 3.72 -1.26 -3.30 117.46 115.06 2b3i n PHE 43 Ca 0.30 0.14 -0.25 0.00 -0.05 0.00 0.00 57.45 57.59 2b3i n PHE 43 Cb 0.39 -1.30 -0.10 0.00 -0.94 0.00 0.00 39.48 37.53 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 2.60 1.91 0.00 4.37 -0.08 0.25 -4.73 116.55 120.87 2b3i n ASP 44 Ca 0.02 0.39 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 2b3i n ASP 44 Cb 0.44 -0.89 0.00 0.00 2.34 0.00 0.00 41.12 43.01 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 -4.35 0.00 -4.27 -0.67 5.02 -1.19 -4.84 118.16 107.85 2b3i n LYS 45 Ca -0.42 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 55.70 2b3i n LYS 45 Cb 0.76 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.67 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 -1.42 1.41 1.03 -0.18 -7.23 -1.26 -3.72 120.40 109.02 2b3i s VAL 46 Ca 0.00 -1.96 -0.16 0.00 -1.81 0.00 0.00 61.98 58.05 2b3i s VAL 46 Cb 0.00 -1.78 0.21 0.00 0.56 0.00 0.00 36.38 35.37 2b3i s VAL 46 CO 0.00 -0.56 1.19 -2.16 -0.31 0.00 0.00 175.10 173.26 2b3i s PRO 47 N -3.27 0.16 0.56 4.82 0.04 -1.26 -4.78 135.00 131.27 2b3i s PRO 47 Ca 0.15 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.12 2b3i s PRO 47 Cb -0.01 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2b3i s PRO 47 CO 0.03 -2.79 0.00 0.00 0.04 0.00 0.00 177.00 174.28 2b3i n ALA 48 N -4.11 -2.44 -0.96 8.56 0.00 -1.26 -3.78 120.51 116.52 2b3i n ALA 48 Ca 0.12 0.30 -0.16 0.00 0.00 0.00 0.00 53.44 53.69 2b3i n ALA 48 Cb 0.59 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.93 3.87 0.58 0.00 0.00 -1.26 -4.91 105.19 100.54 2b3i n GLY 49 Ca 0.01 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 44.87 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 0.73 -0.52 -3.54 1.61 0.00 -1.25 -5.02 120.64 112.65 2b3i n GLU 50 Ca 0.30 -0.31 -0.28 0.00 0.00 0.00 0.00 57.16 56.88 2b3i n GLU 50 Cb 0.58 -0.22 -0.09 0.00 0.00 0.00 0.00 31.44 31.71 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 -3.18 3.66 -0.02 4.31 7.64 -1.26 -4.87 113.62 119.90 2b3i n SER 51 Ca 0.03 -3.38 -0.11 0.00 1.01 0.00 0.00 58.87 56.41 2b3i n SER 51 Cb 0.09 -0.72 -0.10 0.00 -1.01 0.00 0.00 64.21 62.48 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 4.57 -0.06 0.00 -0.43 0.00 -1.95 0.25 119.26 121.64 2b3i h ALA 52 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2b3i h ALA 52 Cb 0.69 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2b3i h ALA 52 CO 0.82 -0.13 0.00 -0.35 0.00 0.00 0.00 179.25 179.59 2b3i n PRO 53 N -4.76 0.75 -0.08 0.00 -0.04 -1.26 -2.58 135.00 127.02 2b3i n PRO 53 Ca -0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.25 2b3i n PRO 53 Cb 0.33 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.23 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 1.68 -0.14 0.55 0.00 -1.21 -4.50 120.51 115.92 2b3i n ALA 54 Ca 0.17 -0.71 0.02 0.00 0.00 0.00 0.00 53.44 52.93 2b3i n ALA 54 Cb 0.08 0.15 0.32 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.13 0.71 -8.33 0.00 3.38 -0.38 -3.41 115.31 107.14 2b3i h LEU 55 Ca -0.39 -0.02 -0.55 0.00 0.09 0.00 0.00 57.88 57.01 2b3i h LEU 55 Cb 1.54 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 42.08 2b3i h LEU 55 CO -0.10 0.50 1.60 -1.54 0.09 0.00 0.00 178.44 178.99 2b3i n SER 56 N -4.45 1.44 -4.41 -0.43 3.41 -1.07 -4.84 113.62 103.28 2b3i n SER 56 Ca 0.07 0.07 -0.45 0.00 -0.26 0.00 0.00 58.87 58.30 2b3i n SER 56 Cb 0.07 -1.21 -0.03 0.00 -0.26 0.00 0.00 64.21 62.78 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 9.30 6.62 0.64 4.04 -0.87 0.22 -4.85 114.94 130.04 2b3i s ASN 57 Ca 1.16 -2.15 0.29 0.00 -1.57 0.00 0.00 52.86 50.59 2b3i s ASN 57 Cb -0.84 -2.34 1.59 0.00 -0.02 0.00 0.00 41.25 39.64 2b3i s ASN 57 CO 0.43 -0.94 1.89 0.71 -2.57 0.00 0.00 177.10 176.62 2b3i h THR 58 N 5.54 0.00 -0.24 1.60 1.35 -1.89 -3.17 112.91 116.11 2b3i h THR 58 Ca 0.10 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.88 2b3i h THR 58 Cb 1.03 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 2b3i h THR 58 CO 1.01 0.00 0.43 1.17 -0.25 0.00 0.00 175.52 177.87 2b3i n LYS 59 N -2.83 0.39 -2.17 4.72 4.81 -1.26 -4.86 118.16 116.96 2b3i n LYS 59 Ca -0.02 -0.75 -0.39 0.00 -0.87 0.00 0.00 58.31 56.28 2b3i n LYS 59 Cb 0.36 -3.13 -0.01 0.00 0.02 0.00 0.00 35.03 32.27 2b3i n LYS 59 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2b3i s LEU 60 N 11.85 4.24 -0.37 3.14 2.34 -1.26 -4.80 118.68 133.83 2b3i s LEU 60 Ca 0.97 2.52 -0.14 0.00 0.06 0.00 0.00 54.13 57.54 2b3i s LEU 60 Cb -0.26 -3.91 -0.00 0.00 -0.56 0.00 0.00 46.19 41.46 2b3i s LEU 60 CO 0.18 -0.72 0.28 0.00 -1.06 0.00 0.00 176.35 175.03 2b3i s ALA 61 N -1.30 3.49 -0.16 1.48 0.00 -1.21 -4.94 121.76 119.12 2b3i s ALA 61 Ca 0.56 -1.49 -0.26 0.00 0.00 0.00 0.00 51.96 50.76 2b3i s ALA 61 Cb -0.35 -2.77 -0.24 0.00 0.00 0.00 0.00 23.12 19.75 2b3i s ALA 61 CO 0.45 -1.18 0.60 0.82 0.00 0.00 0.00 175.76 176.46 2b3i h ILE 62 N 5.55 1.51 -3.24 0.00 1.08 -1.94 -3.34 117.51 117.12 2b3i h ILE 62 Ca -0.29 -2.31 -0.57 0.00 -0.39 0.00 0.00 64.86 61.30 2b3i h ILE 62 Cb 1.14 3.03 -0.04 0.00 -3.07 0.00 0.00 36.82 37.88 2b3i h ILE 62 CO 0.68 0.53 -0.10 0.00 -0.69 0.00 0.00 178.15 178.57 2b3i s ALA 63 N -2.28 3.61 0.12 1.87 0.00 -1.26 -4.89 121.76 118.93 2b3i s ALA 63 Ca -0.22 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 2b3i s ALA 63 Cb -0.00 -2.52 -0.07 0.00 0.00 0.00 0.00 23.12 20.54 2b3i s ALA 63 CO 0.67 0.45 1.14 -1.25 0.00 0.00 0.00 175.76 176.77 2b3i s PRO 64 N -1.61 4.52 0.00 0.00 0.04 -1.26 -4.83 135.00 131.86 2b3i s PRO 64 Ca 0.33 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2b3i s PRO 64 Cb -0.16 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2b3i s PRO 64 CO 0.18 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.56 2b3i n GLY 65 N 2.54 0.00 2.59 0.56 0.00 -1.26 -5.09 105.19 104.53 2b3i n GLY 65 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 2b3i n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2b3i n SER 66 N 0.00 -3.94 0.00 1.61 2.88 -1.26 -4.84 113.62 108.07 2b3i n SER 66 Ca 0.00 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 2b3i n SER 66 Cb 0.00 -4.07 0.00 0.00 -0.75 0.00 0.00 64.21 59.39 2b3i n SER 66 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2b3i n PHE 67 N 1.97 0.00 -3.85 0.66 3.72 0.19 -4.90 117.46 115.24 2b3i n PHE 67 Ca -0.20 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.24 2b3i n PHE 67 Cb 0.30 -0.10 0.01 0.00 -0.94 0.00 0.00 39.48 38.75 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 -1.46 0.00 0.16 1.38 -0.85 -1.09 -5.00 117.35 110.49 2b3i s TYR 68 Ca 0.00 -0.04 0.08 0.00 -0.52 0.00 0.00 57.07 56.59 2b3i s TYR 68 Cb 0.00 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 2b3i s TYR 68 CO 0.00 -0.10 -0.09 -1.54 -1.52 0.00 0.00 175.55 172.30 2b3i s SER 69 N -3.56 4.32 -0.07 -0.18 1.04 -1.26 -0.88 113.70 113.11 2b3i s SER 69 Ca 0.25 -0.51 -0.10 0.00 0.48 0.00 0.00 55.95 56.07 2b3i s SER 69 Cb 0.03 -0.77 0.02 0.00 0.10 0.00 0.00 66.02 65.40 2b3i s SER 69 CO -0.04 0.12 0.26 0.68 0.98 0.00 0.00 173.24 175.25 2b3i s VAL 70 N -1.55 0.02 0.02 5.02 -7.23 -1.01 -4.99 120.40 110.69 2b3i s VAL 70 Ca 0.24 -0.18 0.02 0.00 -1.81 0.00 0.00 61.98 60.25 2b3i s VAL 70 Cb -0.10 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.37 2b3i s VAL 70 CO 0.15 -0.10 0.01 -0.89 -0.31 0.00 0.00 175.10 173.96 2b3i s THR 71 N -0.33 4.16 0.44 5.32 2.01 -1.26 0.14 115.64 126.11 2b3i s THR 71 Ca -0.04 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.31 2b3i s THR 71 Cb -0.03 -2.90 -0.06 0.00 0.01 0.00 0.00 72.50 69.53 2b3i s THR 71 CO 0.01 0.30 0.02 -0.76 -0.69 0.00 0.00 174.62 173.50 2b3i s LEU 72 N -1.79 2.61 0.24 4.42 1.43 -0.46 -4.99 118.68 120.14 2b3i s LEU 72 Ca 0.22 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 51.85 2b3i s LEU 72 Cb -0.12 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.32 2b3i s LEU 72 CO 0.13 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 176.71 2b3i n GLY 73 N -1.04 -1.13 3.62 -3.19 0.00 -1.26 -1.17 105.19 101.02 2b3i n GLY 73 Ca -0.09 0.22 -0.47 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.08 1.10 -2.53 2.61 -1.04 -1.26 -4.02 114.28 106.06 2b3i n THR 74 Ca 0.00 -0.28 -0.37 0.00 -2.04 0.00 0.00 64.05 61.37 2b3i n THR 74 Cb 0.00 -1.12 -0.04 0.00 -1.82 0.00 0.00 70.33 67.35 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 -0.60 4.16 0.00 -2.82 0.04 -1.26 -4.68 135.00 129.84 2b3i s PRO 75 Ca 0.69 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2b3i s PRO 75 Cb -0.75 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2b3i s PRO 75 CO 0.53 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.83 2b3i n GLY 76 N 0.36 0.27 3.23 0.56 0.00 -1.24 -4.87 105.19 103.51 2b3i n GLY 76 Ca 0.05 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 2b3i n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b3i s THR 77 N -1.41 3.13 0.01 2.61 2.01 -1.26 -0.63 115.64 120.09 2b3i s THR 77 Ca 0.00 -0.93 -0.20 0.00 0.31 0.00 0.00 61.69 60.87 2b3i s THR 77 Cb 0.00 -2.59 -0.06 0.00 0.01 0.00 0.00 72.50 69.87 2b3i s THR 77 CO 0.00 0.18 0.58 -0.31 -0.69 0.00 0.00 174.62 174.38 2b3i s TYR 78 N 1.37 3.70 -0.04 4.92 1.51 0.39 -4.64 117.35 124.55 2b3i s TYR 78 Ca 0.01 1.20 0.06 0.00 -1.01 0.00 0.00 57.07 57.33 2b3i s TYR 78 Cb -0.17 -2.58 -0.01 0.00 -0.11 0.00 0.00 41.96 39.10 2b3i s TYR 78 CO -0.03 0.40 -0.22 -1.12 -1.11 0.00 0.00 175.55 173.46 2b3i s SER 79 N -0.36 2.74 0.28 2.29 0.01 -1.24 0.20 113.70 117.61 2b3i s SER 79 Ca 0.30 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 57.14 2b3i s SER 79 Cb -0.18 -0.66 -0.04 0.00 0.21 0.00 0.00 66.02 65.35 2b3i s SER 79 CO 0.17 0.23 0.14 0.72 0.41 0.00 0.00 173.24 174.91 2b3i s PHE 80 N -0.19 1.53 0.15 2.43 -0.71 -0.77 0.88 117.98 121.29 2b3i s PHE 80 Ca -0.01 -1.31 -0.19 0.00 -1.04 0.00 0.00 56.93 54.37 2b3i s PHE 80 Cb -0.12 -0.83 0.05 0.00 -1.21 0.00 0.00 43.02 40.91 2b3i s PHE 80 CO 0.02 -0.48 0.50 1.52 -1.34 0.00 0.00 175.22 175.45 2b3i s TYR 81 N -3.72 -0.36 0.22 3.49 -0.85 -1.21 -2.08 117.35 112.85 2b3i s TYR 81 Ca 0.37 0.09 -0.26 0.00 -0.52 0.00 0.00 57.07 56.74 2b3i s TYR 81 Cb 0.06 0.41 -0.09 0.00 0.38 0.00 0.00 41.96 42.73 2b3i s TYR 81 CO 0.16 -0.79 0.85 0.00 -1.52 0.00 0.00 175.55 174.25 2b3i h THR 83 N 3.08 1.63 -0.02 0.00 2.02 -1.91 -1.06 112.91 116.66 2b3i h THR 83 Ca -0.46 -2.37 -0.08 0.00 0.77 0.00 0.00 66.41 64.26 2b3i h THR 83 Cb 1.20 3.20 0.01 0.00 -1.74 0.00 0.00 68.15 70.82 2b3i h THR 83 CO 0.66 0.65 -0.32 1.55 0.37 0.00 0.00 175.52 178.43 2b3i h PRO 84 N -0.63 0.25 -0.47 6.66 0.13 -1.93 -3.13 132.00 132.87 2b3i h PRO 84 Ca -0.07 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2b3i h PRO 84 Cb 1.29 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2b3i h PRO 84 CO 0.08 0.94 0.00 0.72 -0.23 0.00 0.00 178.00 179.51 2b3i n HIS 85 N -4.45 0.53 -0.09 1.56 8.25 -1.26 -4.24 115.22 115.51 2b3i n HIS 85 Ca -0.09 -0.22 0.25 0.00 -0.26 0.00 0.00 57.72 57.40 2b3i n HIS 85 Cb 0.53 -0.09 0.58 0.00 1.12 0.00 0.00 29.99 32.13 2b3i n HIS 85 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2b3i h ARG 86 N 1.63 0.00 0.00 -0.41 2.43 -1.13 1.50 114.38 118.40 2b3i h ARG 86 Ca 0.00 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.91 2b3i h ARG 86 Cb 0.62 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 2b3i h ARG 86 CO 0.06 0.00 -2.11 0.41 -1.51 0.00 0.00 179.97 176.83 2b3i n GLY 87 N -1.62 -1.03 0.29 2.80 0.00 -1.26 -4.10 105.19 100.26 2b3i n GLY 87 Ca 0.17 -0.31 0.15 0.00 0.00 0.00 0.00 46.02 46.03 2b3i n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3i h ALA 88 N 1.25 1.29 -1.04 4.61 0.00 0.18 -3.46 119.26 122.09 2b3i h ALA 88 Ca -0.36 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2b3i h ALA 88 Cb 1.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2b3i h ALA 88 CO 0.03 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.76 2b3i n GLY 89 N -0.89 0.63 3.20 0.00 0.00 -0.52 -5.07 105.19 102.54 2b3i n GLY 89 Ca -0.02 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 2b3i n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2b3i s MET 90 N -1.65 2.37 0.04 1.61 -1.94 -1.23 -4.95 119.30 113.55 2b3i s MET 90 Ca 0.00 -1.52 -0.02 0.00 -1.71 0.00 0.00 55.69 52.45 2b3i s MET 90 Cb 0.00 -3.57 -0.03 0.00 2.01 0.00 0.00 34.83 33.24 2b3i s MET 90 CO 0.00 -0.90 -0.00 0.14 -0.01 0.00 0.00 175.02 174.24 2b3i s VAL 91 N 1.29 0.17 0.21 -6.03 -7.23 -1.26 -0.25 120.40 107.30 2b3i s VAL 91 Ca 0.03 -1.37 -0.03 0.00 -1.81 0.00 0.00 61.98 58.80 2b3i s VAL 91 Cb -0.22 -0.98 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 2b3i s VAL 91 CO -0.01 -0.75 0.20 -0.83 -0.31 0.00 0.00 175.10 173.40 2b3i s GLY 92 N -2.28 1.29 0.06 2.32 0.00 -0.88 -4.52 107.32 103.30 2b3i s GLY 92 Ca -0.03 -1.55 0.03 0.00 0.00 0.00 0.00 44.72 43.17 2b3i s GLY 92 CO -0.06 -1.25 -0.10 -1.59 0.00 0.00 0.00 173.10 170.10 2b3i s THR 93 N -4.11 0.75 -0.22 0.90 2.01 -1.21 -1.85 115.64 111.91 2b3i s THR 93 Ca 0.36 -1.22 -0.03 0.00 0.31 0.00 0.00 61.69 61.10 2b3i s THR 93 Cb 0.05 -0.84 0.12 0.00 0.01 0.00 0.00 72.50 71.84 2b3i s THR 93 CO 0.12 -0.36 0.34 -0.63 -0.69 0.00 0.00 174.62 173.39 2b3i s ILE 94 N -1.50 -0.53 0.16 1.82 1.01 0.13 -1.48 121.20 120.81 2b3i s ILE 94 Ca -0.06 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.58 2b3i s ILE 94 Cb -0.09 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 2b3i s ILE 94 CO 0.01 -0.11 0.29 0.28 0.00 0.00 0.00 174.94 175.41 2b3i s THR 95 N 2.49 5.31 -0.53 2.92 -1.32 -0.59 0.15 115.64 124.07 2b3i s THR 95 Ca 0.10 -0.73 0.06 0.00 -1.21 0.00 0.00 61.69 59.91 2b3i s THR 95 Cb -0.15 -3.75 0.23 0.00 -1.51 0.00 0.00 72.50 67.31 2b3i s THR 95 CO -0.14 -0.12 0.58 0.52 -2.21 0.00 0.00 174.62 173.24 2b3i n VAL 96 N -0.66 0.68 2.00 5.08 0.31 0.20 0.82 118.33 126.75 2b3i n VAL 96 Ca -0.07 -4.50 0.16 0.00 -0.01 0.00 0.00 64.34 59.92 2b3i n VAL 96 Cb 0.54 -2.00 0.95 0.00 -0.91 0.00 0.00 33.84 32.42 2b3i n VAL 96 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89