#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 -5.19 -4.67 0.00 7.64 -1.26 -5.00 113.62 105.14 2b3i n SER 2 Ca 0.00 1.25 -0.30 0.00 1.01 0.00 0.00 58.87 60.82 2b3i n SER 2 Cb 0.00 -4.81 -0.09 0.00 -1.01 0.00 0.00 64.21 58.30 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 -1.17 1.49 -0.01 0.44 -7.23 -0.80 -5.01 120.40 108.10 2b3i s VAL 3 Ca -0.08 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.04 2b3i s VAL 3 Cb 0.01 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.41 2b3i s VAL 3 CO 0.70 0.00 0.11 -1.10 -0.31 0.00 0.00 175.10 174.49 2b3i s GLN 4 N -3.80 0.33 -0.38 4.82 -0.21 -1.26 0.53 119.66 119.69 2b3i s GLN 4 Ca 0.19 -0.21 -0.09 0.00 0.02 0.00 0.00 55.36 55.27 2b3i s GLN 4 Cb 0.05 0.14 0.04 0.00 1.00 0.00 0.00 33.01 34.24 2b3i s GLN 4 CO 0.10 -0.07 0.19 0.42 -2.12 0.00 0.00 175.29 173.81 2b3i s ILE 5 N -0.84 4.28 -0.10 1.08 -1.09 0.52 -4.50 121.20 120.55 2b3i s ILE 5 Ca -0.09 -1.07 -0.21 0.00 -2.23 0.00 0.00 60.65 57.05 2b3i s ILE 5 Cb -0.05 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 2b3i s ILE 5 CO 0.01 -0.29 0.62 -0.54 -1.23 0.00 0.00 174.94 173.50 2b3i s LYS 6 N 1.48 4.38 -0.48 2.79 1.02 0.27 -1.11 119.74 128.08 2b3i s LYS 6 Ca 0.01 0.70 -0.15 0.00 0.02 0.00 0.00 55.97 56.56 2b3i s LYS 6 Cb -0.20 -3.46 0.09 0.00 -0.52 0.00 0.00 37.83 33.74 2b3i s LYS 6 CO 0.05 0.06 0.41 -1.64 -0.92 0.00 0.00 175.35 173.31 2b3i s MET 7 N 0.87 2.94 0.00 1.68 -1.94 -0.11 -0.39 119.30 122.34 2b3i s MET 7 Ca 0.33 -1.45 0.00 0.00 -1.71 0.00 0.00 55.69 52.85 2b3i s MET 7 Cb -0.17 -4.14 0.00 0.00 2.01 0.00 0.00 34.83 32.53 2b3i s MET 7 CO 0.15 -1.10 0.00 0.41 -0.01 0.00 0.00 175.02 174.47 2b3i n GLY 8 N 5.18 2.82 3.81 -0.03 0.00 0.13 -0.64 105.19 116.47 2b3i n GLY 8 Ca -0.13 -1.63 -0.22 0.00 0.00 0.00 0.00 46.02 44.05 2b3i n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b3i s THR 9 N -1.41 3.44 -0.59 2.61 -4.23 0.39 -4.53 115.64 111.33 2b3i s THR 9 Ca 0.00 -1.49 0.15 0.00 -1.18 0.00 0.00 61.69 59.17 2b3i s THR 9 Cb 0.00 -3.13 0.15 0.00 1.34 0.00 0.00 72.50 70.87 2b3i s THR 9 CO 0.00 -0.20 1.47 -0.67 -0.54 0.00 0.00 174.62 174.68 2b3i n ASP 10 N -1.27 0.36 -1.87 3.99 -0.08 -1.26 -1.82 116.55 114.59 2b3i n ASP 10 Ca -0.03 0.63 -0.17 0.00 -1.51 0.00 0.00 54.79 53.71 2b3i n ASP 10 Cb 0.60 -0.69 0.06 0.00 2.34 0.00 0.00 41.12 43.43 2b3i n ASP 10 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2b3i n LYS 11 N -1.94 1.85 -2.28 -0.67 2.85 -1.26 -4.81 118.16 111.90 2b3i n LYS 11 Ca 0.00 -1.73 0.00 0.00 -1.05 0.00 0.00 58.31 55.53 2b3i n LYS 11 Cb 0.09 -1.68 0.00 0.00 -0.65 0.00 0.00 35.03 32.79 2b3i n LYS 11 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2b3i n TYR 12 N 0.04 -1.82 -3.70 5.58 4.02 -0.76 -4.84 117.16 115.68 2b3i n TYR 12 Ca 0.34 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.85 2b3i n TYR 12 Cb 0.74 -0.95 -0.12 0.00 -0.02 0.00 0.00 39.34 38.99 2b3i n TYR 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2b3i s ALA 13 N -1.82 3.22 -0.78 -0.72 0.00 -1.23 -4.92 121.76 115.51 2b3i s ALA 13 Ca 0.00 -1.28 -0.26 0.00 0.00 0.00 0.00 51.96 50.42 2b3i s ALA 13 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.89 2b3i s ALA 13 CO 0.00 -0.72 1.61 -1.25 0.00 0.00 0.00 175.76 175.40 2b3i s PRO 14 N 1.61 2.97 0.07 0.00 0.04 -1.26 -0.46 135.00 137.97 2b3i s PRO 14 Ca 0.05 -0.13 -0.13 0.00 0.04 0.00 0.00 61.00 60.83 2b3i s PRO 14 Cb -0.16 -4.61 0.02 0.00 0.04 0.00 0.00 34.50 29.79 2b3i s PRO 14 CO 0.05 -2.56 0.30 -0.48 0.04 0.00 0.00 177.00 174.35 2b3i s LEU 15 N 7.43 0.88 0.00 -3.56 0.05 -1.26 -4.20 118.68 118.02 2b3i s LEU 15 Ca 0.53 -0.30 -0.29 0.00 0.05 0.00 0.00 54.13 54.12 2b3i s LEU 15 Cb -0.08 1.40 -0.03 0.00 -2.05 0.00 0.00 46.19 45.43 2b3i s LEU 15 CO 0.10 -0.69 0.94 -0.31 -0.55 0.00 0.00 176.35 175.83 2b3i s TYR 16 N -3.07 3.66 -0.01 3.48 2.02 -1.26 0.22 117.35 122.38 2b3i s TYR 16 Ca -0.01 1.64 0.00 0.00 -0.37 0.00 0.00 57.07 58.33 2b3i s TYR 16 Cb 0.01 -3.06 0.02 0.00 -0.40 0.00 0.00 41.96 38.52 2b3i s TYR 16 CO -0.07 0.03 0.01 -2.00 -1.57 0.00 0.00 175.55 171.96 2b3i s GLU 17 N 0.86 0.03 0.26 -0.62 2.12 0.47 -2.11 118.70 119.72 2b3i s GLU 17 Ca 0.49 0.09 -0.30 0.00 0.36 0.00 0.00 54.97 55.62 2b3i s GLU 17 Cb -0.21 -0.19 -0.09 0.00 0.26 0.00 0.00 34.13 33.90 2b3i s GLU 17 CO 0.27 -0.09 1.09 -1.25 -0.54 0.00 0.00 175.26 174.73 2b3i s PRO 18 N 0.63 4.65 0.37 4.30 0.04 -1.26 0.95 135.00 144.69 2b3i s PRO 18 Ca -0.05 1.76 0.21 0.00 0.04 0.00 0.00 61.00 62.96 2b3i s PRO 18 Cb -0.08 -3.21 1.33 0.00 0.04 0.00 0.00 34.50 32.58 2b3i s PRO 18 CO -0.02 0.22 1.55 1.17 0.04 0.00 0.00 177.00 179.96 2b3i n LYS 19 N 1.42 -0.06 -4.54 4.56 4.81 -0.89 -4.19 118.16 119.26 2b3i n LYS 19 Ca -0.01 1.34 -0.24 0.00 -0.87 0.00 0.00 58.31 58.54 2b3i n LYS 19 Cb 0.45 -2.43 -0.14 0.00 0.02 0.00 0.00 35.03 32.93 2b3i n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2b3i s ALA 20 N -5.47 1.56 -0.02 3.14 0.00 -1.26 -1.08 121.76 118.63 2b3i s ALA 20 Ca -0.09 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 2b3i s ALA 20 Cb 0.33 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2b3i s ALA 20 CO 0.77 0.34 0.07 -1.17 0.00 0.00 0.00 175.76 175.77 2b3i s LEU 21 N -1.17 1.75 0.02 0.00 2.96 -0.48 -4.95 118.68 116.82 2b3i s LEU 21 Ca 0.06 0.05 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 2b3i s LEU 21 Cb -0.08 0.29 -0.02 0.00 0.50 0.00 0.00 46.19 46.87 2b3i s LEU 21 CO 0.02 -0.09 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.25 2b3i s SER 22 N -0.26 1.79 0.20 3.68 0.15 -1.26 0.46 113.70 118.45 2b3i s SER 22 Ca -0.03 -0.40 -0.02 0.00 0.70 0.00 0.00 55.95 56.19 2b3i s SER 22 Cb -0.02 -0.15 0.01 0.00 -1.71 0.00 0.00 66.02 64.15 2b3i s SER 22 CO 0.00 0.10 0.30 2.30 1.20 0.00 0.00 173.24 177.14 2b3i n ILE 23 N 2.15 0.00 -3.55 6.45 -5.35 0.52 -4.59 119.36 114.99 2b3i n ILE 23 Ca -0.17 -0.95 -0.21 0.00 -0.27 0.00 0.00 62.75 61.15 2b3i n ILE 23 Cb 0.55 0.62 -0.03 0.00 -1.74 0.00 0.00 39.64 39.03 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 -2.23 5.06 -0.61 7.28 0.01 -1.26 0.19 113.70 122.14 2b3i s SER 24 Ca 0.16 -0.74 -0.27 0.00 1.31 0.00 0.00 55.95 56.40 2b3i s SER 24 Cb -0.01 -0.55 -0.01 0.00 0.21 0.00 0.00 66.02 65.66 2b3i s SER 24 CO 0.11 -0.67 1.68 0.00 0.41 0.00 0.00 173.24 174.77 2b3i s ALA 25 N -2.48 2.43 0.00 1.44 0.00 -1.25 -1.70 121.76 120.21 2b3i s ALA 25 Ca 0.48 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2b3i s ALA 25 Cb -0.03 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 18.84 2b3i s ALA 25 CO 0.28 -3.54 0.00 0.41 0.00 0.00 0.00 175.76 172.91 2b3i n GLY 26 N 5.55 0.87 3.83 0.00 0.00 -0.63 -4.91 105.19 109.91 2b3i n GLY 26 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.54 2.73 0.18 1.61 1.11 -0.69 -4.68 116.67 116.39 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 -0.66 -0.04 0.00 1.07 0.00 0.00 42.92 43.29 2b3i s ASP 27 CO 0.00 -2.99 -0.21 -0.89 1.18 0.00 0.00 175.17 172.26 2b3i s THR 28 N -3.59 2.07 -0.28 -1.27 2.01 -1.26 -1.45 115.64 111.88 2b3i s THR 28 Ca 0.71 -1.96 -0.01 0.00 0.31 0.00 0.00 61.69 60.74 2b3i s THR 28 Cb -0.07 -1.97 0.09 0.00 0.01 0.00 0.00 72.50 70.56 2b3i s THR 28 CO 0.53 -0.22 0.07 -0.69 -0.69 0.00 0.00 174.62 173.63 2b3i s VAL 29 N -1.85 0.80 0.81 3.82 1.01 -0.25 -1.91 120.40 122.83 2b3i s VAL 29 Ca 0.18 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 2b3i s VAL 29 Cb -0.07 -1.49 0.08 0.00 0.00 0.00 0.00 36.38 34.90 2b3i s VAL 29 CO 0.08 -0.52 1.18 -0.70 0.00 0.00 0.00 175.10 175.14 2b3i s GLU 30 N 1.68 1.93 -0.17 2.72 2.12 0.19 -3.20 118.70 123.96 2b3i s GLU 30 Ca 0.06 0.10 -0.05 0.00 0.36 0.00 0.00 54.97 55.43 2b3i s GLU 30 Cb -0.17 -1.95 0.08 0.00 0.26 0.00 0.00 34.13 32.35 2b3i s GLU 30 CO -0.20 -1.62 0.32 -0.06 -0.54 0.00 0.00 175.26 173.16 2b3i s PHE 31 N -3.59 -0.58 0.09 5.30 0.40 -0.83 0.19 117.98 118.97 2b3i s PHE 31 Ca 0.62 1.08 0.08 0.00 -0.60 0.00 0.00 56.93 58.11 2b3i s PHE 31 Cb -0.11 0.06 -0.03 0.00 0.51 0.00 0.00 43.02 43.44 2b3i s PHE 31 CO 0.49 -0.46 -0.21 0.54 0.70 0.00 0.00 175.22 176.29 2b3i s VAL 32 N 2.49 1.69 -0.39 -0.44 0.11 -0.27 -1.38 120.40 122.21 2b3i s VAL 32 Ca 0.02 -1.50 -0.19 0.00 -2.93 0.00 0.00 61.98 57.38 2b3i s VAL 32 Cb -0.13 -1.53 0.01 0.00 -1.53 0.00 0.00 36.38 33.20 2b3i s VAL 32 CO -0.11 -0.03 0.58 -0.04 -3.33 0.00 0.00 175.10 172.16 2b3i s MET 33 N -1.82 3.46 -0.01 1.54 -1.94 -0.36 -0.93 119.30 119.24 2b3i s MET 33 Ca 0.06 -0.25 -0.04 0.00 -1.71 0.00 0.00 55.69 53.76 2b3i s MET 33 Cb -0.10 -3.87 -0.02 0.00 2.01 0.00 0.00 34.83 32.85 2b3i s MET 33 CO 0.04 -0.81 0.49 -0.91 -0.01 0.00 0.00 175.02 173.81 2b3i h ASN 34 N 8.63 -0.12 -1.62 3.03 4.21 -1.13 -3.38 115.58 125.20 2b3i h ASN 34 Ca -0.27 0.00 0.07 0.00 1.21 0.00 0.00 56.30 57.32 2b3i h ASN 34 Cb 1.11 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 38.33 2b3i h ASN 34 CO 0.83 -0.02 0.29 2.29 -1.29 0.00 0.00 177.43 179.53 2b3i n LYS 35 N -2.78 0.36 -3.30 0.81 0.00 -0.99 -5.00 118.16 107.25 2b3i n LYS 35 Ca -0.02 -0.79 -0.11 0.00 -0.00 0.00 0.00 58.31 57.39 2b3i n LYS 35 Cb 0.06 1.06 0.02 0.00 -0.00 0.00 0.00 35.03 36.17 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 -0.36 -8.26 -3.05 0.58 0.31 -1.26 -4.33 118.33 101.95 2b3i n VAL 36 Ca -0.01 -0.46 -0.05 0.00 -0.01 0.00 0.00 64.34 63.80 2b3i n VAL 36 Cb 0.30 -5.83 0.02 0.00 -0.91 0.00 0.00 33.84 27.41 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 -1.66 2.01 3.76 2.92 0.00 -1.26 -4.79 105.19 106.18 2b3i n GLY 37 Ca -0.08 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.67 -0.38 0.05 1.61 0.04 -1.26 -5.11 135.00 127.28 2b3i s PRO 38 Ca 0.15 -0.28 0.01 0.00 0.04 0.00 0.00 61.00 60.91 2b3i s PRO 38 Cb -0.01 -1.71 -0.00 0.00 0.04 0.00 0.00 34.50 32.81 2b3i s PRO 38 CO 0.10 -3.12 0.02 0.72 0.04 0.00 0.00 177.00 174.76 2b3i n HIS 39 N -4.29 -0.02 -3.84 0.56 8.25 -1.26 -4.79 115.22 109.83 2b3i n HIS 39 Ca 0.15 -0.34 0.01 0.00 -0.26 0.00 0.00 57.72 57.27 2b3i n HIS 39 Cb 0.59 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.72 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 -2.25 -0.42 -3.50 0.41 6.94 -1.26 -2.98 115.26 112.20 2b3i n ASN 40 Ca -0.00 -1.12 -0.29 0.00 -0.02 0.00 0.00 54.58 53.15 2b3i n ASN 40 Cb 0.08 0.65 -0.12 0.00 -2.36 0.00 0.00 39.78 38.03 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 -2.16 0.34 -0.33 3.53 1.01 -1.07 -4.88 120.40 116.85 2b3i s VAL 41 Ca 0.09 -1.87 0.03 0.00 0.00 0.00 0.00 61.98 60.24 2b3i s VAL 41 Cb -0.00 -1.26 0.10 0.00 0.00 0.00 0.00 36.38 35.22 2b3i s VAL 41 CO 0.00 -0.98 0.05 -0.63 0.00 0.00 0.00 175.10 173.54 2b3i s ILE 42 N 0.93 2.01 0.91 2.22 1.01 -1.22 0.19 121.20 127.25 2b3i s ILE 42 Ca 0.18 -2.11 -0.10 0.00 0.00 0.00 0.00 60.65 58.62 2b3i s ILE 42 Cb -0.22 -2.46 0.14 0.00 0.01 0.00 0.00 42.46 39.92 2b3i s ILE 42 CO 0.00 -0.57 1.13 -0.36 0.00 0.00 0.00 174.94 175.15 2b3i s PHE 43 N 1.05 1.73 -0.21 3.97 0.08 -1.26 -1.47 117.98 121.87 2b3i s PHE 43 Ca 0.09 1.73 -0.20 0.00 0.12 0.00 0.00 56.93 58.67 2b3i s PHE 43 Cb -0.19 -3.29 -0.18 0.00 -0.57 0.00 0.00 43.02 38.79 2b3i s PHE 43 CO -0.11 -2.73 0.15 -3.47 -0.10 0.00 0.00 175.22 168.97 2b3i n ASP 44 N -4.17 1.86 0.00 1.36 2.03 -0.32 -4.70 116.55 112.61 2b3i n ASP 44 Ca 0.11 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.85 2b3i n ASP 44 Cb 0.52 -0.95 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 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 -4.43 0.00 -4.29 -0.67 5.02 -1.25 -4.87 118.16 107.66 2b3i n LYS 45 Ca -0.32 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 55.79 2b3i n LYS 45 Cb 0.67 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.58 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 -1.60 1.47 0.76 -0.18 -7.23 -1.26 -3.70 120.40 108.66 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 -1.84 0.05 0.00 0.56 0.00 0.00 36.38 35.14 2b3i s VAL 46 CO 0.00 -0.58 1.08 -2.16 -0.31 0.00 0.00 175.10 173.13 2b3i s PRO 47 N -3.38 2.37 0.10 4.82 0.04 -1.26 -4.81 135.00 132.88 2b3i s PRO 47 Ca 0.17 0.75 -0.34 0.00 0.04 0.00 0.00 61.00 61.62 2b3i s PRO 47 Cb -0.01 -1.94 -0.18 0.00 0.04 0.00 0.00 34.50 32.40 2b3i s PRO 47 CO 0.04 -1.44 0.80 0.00 0.04 0.00 0.00 177.00 176.43 2b3i n ALA 48 N -3.33 -3.27 0.00 8.56 0.00 -1.26 -3.47 120.51 117.74 2b3i n ALA 48 Ca 0.07 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2b3i n ALA 48 Cb 0.55 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 1.73 2.89 1.12 0.00 0.00 -1.26 -4.96 105.19 104.72 2b3i n GLY 49 Ca 0.19 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 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 1.09 -3.55 1.61 0.00 -1.23 -4.89 120.64 113.68 2b3i n GLU 50 Ca 0.00 -0.96 -0.27 0.00 0.00 0.00 0.00 57.16 55.93 2b3i n GLU 50 Cb 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 31.44 31.36 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 -2.34 1.09 -0.03 4.31 7.64 -1.26 -4.92 113.62 118.11 2b3i n SER 51 Ca 0.02 -2.77 -0.08 0.00 1.01 0.00 0.00 58.87 57.05 2b3i n SER 51 Cb 0.18 -0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 62.72 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 5.28 0.02 0.00 -0.43 0.00 -1.93 -2.22 119.26 119.98 2b3i h ALA 52 Ca 0.20 0.07 -0.18 0.00 0.00 0.00 0.00 54.91 55.01 2b3i h ALA 52 Cb 0.83 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2b3i h ALA 52 CO 0.53 -0.56 0.17 -0.35 0.00 0.00 0.00 179.25 179.05 2b3i n PRO 53 N -5.28 1.64 0.00 0.00 -0.04 -1.26 -2.85 135.00 127.21 2b3i n PRO 53 Ca -0.02 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.58 2b3i n PRO 53 Cb 0.20 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 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 0.13 0.28 0.55 0.00 -0.88 -4.88 120.51 118.47 2b3i n ALA 54 Ca 0.35 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.96 2b3i n ALA 54 Cb 0.64 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.85 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 -9.62 0.00 3.38 -1.28 -3.44 115.31 104.35 2b3i h LEU 55 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 2b3i h LEU 55 Cb 0.00 0.00 0.23 0.00 0.09 0.00 0.00 40.66 40.98 2b3i h LEU 55 CO 0.00 0.04 -1.14 -1.20 0.09 0.00 0.00 178.44 176.23 2b3i n SER 56 N -3.19 -2.50 -3.15 -0.43 7.64 -1.16 -4.96 113.62 105.86 2b3i n SER 56 Ca -0.00 -0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 2b3i n SER 56 Cb 0.27 -0.97 -0.01 0.00 -1.01 0.00 0.00 64.21 62.50 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 -1.78 -1.40 -0.13 6.43 3.84 0.49 -4.96 114.94 117.44 2b3i s ASN 57 Ca 0.54 0.73 0.06 0.00 0.21 0.00 0.00 52.86 54.40 2b3i s ASN 57 Cb -0.12 2.11 0.39 0.00 -0.55 0.00 0.00 41.25 43.08 2b3i s ASN 57 CO 0.67 -0.26 1.14 1.07 -2.79 0.00 0.00 177.10 176.94 2b3i n THR 58 N 5.43 1.42 -1.51 -5.21 5.66 -1.26 -2.60 114.28 116.21 2b3i n THR 58 Ca -0.00 -0.70 -0.31 0.00 -3.05 0.00 0.00 64.05 59.98 2b3i n THR 58 Cb 0.52 -0.44 -0.06 0.00 -1.55 0.00 0.00 70.33 68.80 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 0.22 3.35 -1.57 1.09 4.81 -1.26 -4.96 118.16 119.85 2b3i n LYS 59 Ca 0.15 -2.40 -0.61 0.00 -0.87 0.00 0.00 58.31 54.59 2b3i n LYS 59 Cb 0.75 -2.43 -0.08 0.00 0.02 0.00 0.00 35.03 33.29 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 2.14 0.38 -4.23 3.14 -0.00 -1.26 -4.91 117.00 112.26 2b3i n LEU 60 Ca 0.60 1.16 -0.35 0.00 -0.00 0.00 0.00 56.01 57.42 2b3i n LEU 60 Cb 0.45 -0.92 -0.14 0.00 -0.00 0.00 0.00 43.42 42.80 2b3i n LEU 60 CO 0.53 -1.60 -0.41 0.00 -0.00 0.00 0.00 177.39 175.91 2b3i s ALA 61 N 0.78 2.71 0.09 1.47 0.00 -1.16 -4.96 121.76 120.70 2b3i s ALA 61 Ca 0.94 -1.34 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 2b3i s ALA 61 Cb -1.31 -1.66 -0.08 0.00 0.00 0.00 0.00 23.12 20.07 2b3i s ALA 61 CO 0.63 -0.65 1.46 0.97 0.00 0.00 0.00 175.76 178.17 2b3i h ILE 62 N 5.97 1.29 -1.72 0.00 6.09 -1.91 -3.35 117.51 123.88 2b3i h ILE 62 Ca -0.37 -1.23 -0.69 0.00 -1.37 0.00 0.00 64.86 61.19 2b3i h ILE 62 Cb 1.13 1.48 0.02 0.00 0.47 0.00 0.00 36.82 39.91 2b3i h ILE 62 CO 0.59 0.39 0.97 0.00 -3.07 0.00 0.00 178.15 177.04 2b3i n ALA 63 N -2.44 0.19 -2.38 0.18 0.00 -1.26 -4.88 120.51 109.93 2b3i n ALA 63 Ca -0.03 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.34 2b3i n ALA 63 Cb 0.37 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 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 3.73 4.47 0.00 0.00 0.04 -1.26 -4.93 135.00 137.05 2b3i s PRO 64 Ca 0.96 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.73 2b3i s PRO 64 Cb -0.93 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.26 2b3i s PRO 64 CO 0.61 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.88 2b3i n GLY 65 N 2.95 -1.11 3.43 0.56 0.00 -1.26 -5.04 105.19 104.72 2b3i n GLY 65 Ca 0.07 -1.00 -0.44 0.00 0.00 0.00 0.00 46.02 44.66 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 -4.00 6.30 0.00 1.61 0.15 -1.26 -1.23 113.70 115.27 2b3i s SER 66 Ca 0.00 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 55.25 2b3i s SER 66 Cb 0.00 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2b3i s SER 66 CO 0.00 -1.25 0.60 0.49 1.20 0.00 0.00 173.24 174.28 2b3i n PHE 67 N 7.02 0.00 -3.77 3.44 3.72 -0.48 -4.92 117.46 122.47 2b3i n PHE 67 Ca 0.02 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.45 2b3i n PHE 67 Cb 0.46 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 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 -1.73 -0.00 0.27 1.38 -0.85 -1.19 -5.04 117.35 110.19 2b3i s TYR 68 Ca 0.00 -0.05 0.12 0.00 -0.52 0.00 0.00 57.07 56.62 2b3i s TYR 68 Cb 0.00 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.82 2b3i s TYR 68 CO 0.00 -0.13 -0.17 -1.54 -1.52 0.00 0.00 175.55 172.19 2b3i s SER 69 N -3.39 3.75 -0.17 -0.18 1.04 -1.26 -1.96 113.70 111.52 2b3i s SER 69 Ca 0.22 -0.96 -0.14 0.00 0.48 0.00 0.00 55.95 55.55 2b3i s SER 69 Cb 0.04 -0.39 0.05 0.00 0.10 0.00 0.00 66.02 65.81 2b3i s SER 69 CO -0.04 0.04 0.44 0.68 0.98 0.00 0.00 173.24 175.33 2b3i s VAL 70 N -2.45 -0.01 0.09 5.02 -7.23 -1.20 -4.99 120.40 109.63 2b3i s VAL 70 Ca 0.30 0.03 -0.06 0.00 -1.81 0.00 0.00 61.98 60.43 2b3i s VAL 70 Cb -0.05 -0.62 -0.05 0.00 0.56 0.00 0.00 36.38 36.21 2b3i s VAL 70 CO 0.16 0.01 0.35 -0.89 -0.31 0.00 0.00 175.10 174.41 2b3i s THR 71 N 0.59 5.19 0.38 5.32 2.01 -1.26 -1.09 115.64 126.78 2b3i s THR 71 Ca -0.03 0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.18 2b3i s THR 71 Cb -0.05 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 2b3i s THR 71 CO -0.04 0.20 0.06 -0.76 -0.69 0.00 0.00 174.62 173.39 2b3i s LEU 72 N -2.20 2.29 0.00 4.42 1.02 -0.53 -4.99 118.68 118.69 2b3i s LEU 72 Ca 0.35 -1.46 0.00 0.00 0.02 0.00 0.00 54.13 53.04 2b3i s LEU 72 Cb -0.13 -0.47 0.00 0.00 0.02 0.00 0.00 46.19 45.61 2b3i s LEU 72 CO 0.21 -0.67 0.00 0.61 0.02 0.00 0.00 176.35 176.52 2b3i n GLY 73 N -0.85 -0.08 3.68 -3.19 0.00 -1.26 -1.61 105.19 101.88 2b3i n GLY 73 Ca -0.05 -0.02 -0.47 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.98 0.37 -2.52 2.61 -1.04 -1.26 -4.41 114.28 106.05 2b3i n THR 74 Ca 0.00 -0.07 -0.38 0.00 -2.04 0.00 0.00 64.05 61.56 2b3i n THR 74 Cb 0.00 -1.80 -0.04 0.00 -1.82 0.00 0.00 70.33 66.67 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 2.90 4.33 0.00 -2.82 0.04 -1.26 -4.71 135.00 133.48 2b3i s PRO 75 Ca 0.87 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2b3i s PRO 75 Cb -0.66 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.10 2b3i s PRO 75 CO 0.45 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.89 2b3i n GLY 76 N 0.66 0.59 3.57 0.56 0.00 -1.16 -4.97 105.19 104.45 2b3i n GLY 76 Ca 0.03 -1.87 -0.36 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.22 4.73 -0.09 2.61 2.01 -1.26 -1.60 115.64 120.82 2b3i s THR 77 Ca 0.00 -0.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 2b3i s THR 77 Cb 0.00 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 2b3i s THR 77 CO 0.00 0.39 0.00 -0.31 -0.69 0.00 0.00 174.62 174.01 2b3i s TYR 78 N 0.98 3.15 0.35 4.92 1.51 0.40 -4.57 117.35 124.10 2b3i s TYR 78 Ca 0.05 0.16 0.09 0.00 -1.01 0.00 0.00 57.07 56.35 2b3i s TYR 78 Cb -0.14 -1.81 -0.06 0.00 -0.11 0.00 0.00 41.96 39.84 2b3i s TYR 78 CO 0.03 0.42 0.00 0.45 -1.11 0.00 0.00 175.55 175.35 2b3i s SER 79 N -0.75 4.11 0.25 2.29 0.15 -1.24 0.19 113.70 118.70 2b3i s SER 79 Ca 0.12 -1.04 -0.14 0.00 0.70 0.00 0.00 55.95 55.58 2b3i s SER 79 Cb -0.12 -0.50 0.05 0.00 -1.71 0.00 0.00 66.02 63.75 2b3i s SER 79 CO 0.02 -0.26 0.73 2.22 1.20 0.00 0.00 173.24 177.16 2b3i n PHE 80 N -0.94 -1.72 -3.56 3.44 1.16 -1.10 -1.18 117.46 113.55 2b3i n PHE 80 Ca -0.04 -1.31 -0.07 0.00 -1.87 0.00 0.00 57.45 54.16 2b3i n PHE 80 Cb 0.63 0.65 -0.02 0.00 -1.61 0.00 0.00 39.48 39.13 2b3i n PHE 80 CO 0.00 0.00 0.00 1.52 -1.87 0.00 0.00 176.76 176.41 2b3i s TYR 81 N -3.17 -0.28 0.24 2.97 -0.85 -0.54 -3.32 117.35 112.40 2b3i s TYR 81 Ca 0.15 0.11 -0.14 0.00 -0.52 0.00 0.00 57.07 56.68 2b3i s TYR 81 Cb -0.03 0.56 -0.08 0.00 0.38 0.00 0.00 41.96 42.79 2b3i s TYR 81 CO 0.07 -0.57 0.64 0.00 -1.52 0.00 0.00 175.55 174.17 2b3i h THR 83 N 2.32 0.83 -0.01 0.00 2.02 -1.92 -3.19 112.91 112.97 2b3i h THR 83 Ca -0.48 -1.35 -0.17 0.00 0.77 0.00 0.00 66.41 65.18 2b3i h THR 83 Cb 1.18 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 2b3i h THR 83 CO 0.66 0.25 -0.78 1.55 0.37 0.00 0.00 175.52 177.58 2b3i h PRO 84 N -0.94 0.09 -2.56 6.66 0.13 -1.93 -3.33 132.00 130.12 2b3i h PRO 84 Ca -0.01 -0.09 -0.73 0.00 -0.87 0.00 0.00 66.00 64.30 2b3i h PRO 84 Cb 0.51 0.02 -0.33 0.00 0.13 0.00 0.00 31.00 31.33 2b3i h PRO 84 CO 0.02 0.82 0.30 0.72 -0.23 0.00 0.00 178.00 179.64 2b3i n HIS 85 N -3.68 2.86 -0.07 1.56 8.25 -1.26 -4.65 115.22 118.23 2b3i n HIS 85 Ca -0.02 -3.14 -0.04 0.00 -0.26 0.00 0.00 57.72 54.25 2b3i n HIS 85 Cb 0.74 -0.98 -0.15 0.00 1.12 0.00 0.00 29.99 30.72 2b3i n HIS 85 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2b3i n ARG 86 N 0.87 0.82 -0.02 -0.41 1.85 -1.20 -3.49 116.66 115.08 2b3i n ARG 86 Ca 0.30 -0.05 0.06 0.00 -1.00 0.00 0.00 57.85 57.16 2b3i n ARG 86 Cb 0.35 -1.49 -0.16 0.00 -1.05 0.00 0.00 32.46 30.11 2b3i n ARG 86 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2b3i n GLY 87 N 1.70 -1.02 0.03 2.89 0.00 -1.26 -4.07 105.19 103.45 2b3i n GLY 87 Ca -0.24 -0.46 0.06 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.37 1.48 -1.74 4.61 0.00 -1.26 -4.85 120.51 116.38 2b3i n ALA 88 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2b3i n ALA 88 Cb 0.71 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.40 0.67 2.89 0.00 0.00 -1.26 -4.94 105.19 102.15 2b3i n GLY 89 Ca 0.02 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 2b3i n GLY 89 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2b3i n MET 90 N -1.23 2.35 -4.26 1.61 0.00 -1.23 -4.76 117.12 109.61 2b3i n MET 90 Ca 0.00 -4.53 -0.22 0.00 -0.00 0.00 0.00 57.70 52.95 2b3i n MET 90 Cb 0.49 -2.34 -0.12 0.00 0.00 0.00 0.00 33.22 31.26 2b3i n MET 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2b3i s VAL 91 N -1.69 1.56 0.11 1.12 -7.23 -1.26 -2.55 120.40 110.47 2b3i s VAL 91 Ca 0.29 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 2b3i s VAL 91 Cb -0.01 -1.46 -0.01 0.00 0.56 0.00 0.00 36.38 35.46 2b3i s VAL 91 CO -0.12 -0.13 0.11 0.61 -0.31 0.00 0.00 175.10 175.27 2b3i n GLY 92 N 1.05 3.43 3.30 2.32 0.00 -1.21 -4.45 105.19 109.64 2b3i n GLY 92 Ca -0.19 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.49 0.08 0.04 2.61 2.01 -0.24 -2.71 115.64 114.94 2b3i s THR 93 Ca 0.13 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.51 2b3i s THR 93 Cb 0.00 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 2b3i s THR 93 CO 0.09 -0.35 -0.07 -0.63 -0.69 0.00 0.00 174.62 172.98 2b3i s ILE 94 N -3.70 0.45 -0.02 1.82 1.01 0.52 -1.38 121.20 119.91 2b3i s ILE 94 Ca 0.02 -1.15 0.04 0.00 0.00 0.00 0.00 60.65 59.56 2b3i s ILE 94 Cb 0.02 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 2b3i s ILE 94 CO -0.11 -0.47 -0.12 -0.89 0.00 0.00 0.00 174.94 173.35 2b3i s THR 95 N -1.68 0.98 -0.54 2.92 2.01 0.17 0.15 115.64 119.65 2b3i s THR 95 Ca -0.09 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.44 2b3i s THR 95 Cb -0.08 -0.83 0.15 0.00 0.01 0.00 0.00 72.50 71.75 2b3i s THR 95 CO -0.01 0.28 0.33 -0.69 -0.69 0.00 0.00 174.62 173.85 2b3i s VAL 96 N -0.13 2.12 -2.28 3.82 1.01 -0.63 0.19 120.40 124.51 2b3i s VAL 96 Ca 0.02 -3.33 0.30 0.00 0.00 0.00 0.00 61.98 58.96 2b3i s VAL 96 Cb -0.06 -2.44 0.71 0.00 0.00 0.00 0.00 36.38 34.58 2b3i s VAL 96 CO 0.00 -0.93 1.96 -0.62 0.00 0.00 0.00 175.10 175.50