#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3i s SER 2 N 0.00 6.03 0.53 0.00 0.01 -1.26 -3.80 113.70 115.21 2b3i s SER 2 Ca 0.00 0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.32 2b3i s SER 2 Cb 0.00 -2.12 0.03 0.00 0.21 0.00 0.00 66.02 64.14 2b3i s SER 2 CO 0.00 -0.03 0.37 0.68 0.41 0.00 0.00 173.24 174.67 2b3i s VAL 3 N 1.64 1.73 0.07 3.43 -7.23 -0.91 -5.00 120.40 114.13 2b3i s VAL 3 Ca 0.07 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 58.71 2b3i s VAL 3 Cb -0.16 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 2b3i s VAL 3 CO 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 175.10 174.88 2b3i s GLN 4 N -4.23 0.68 -0.17 4.82 -2.07 -1.26 -0.10 119.66 117.33 2b3i s GLN 4 Ca 0.34 -1.26 0.01 0.00 -1.82 0.00 0.00 55.36 52.63 2b3i s GLN 4 Cb -0.02 0.22 0.02 0.00 -1.09 0.00 0.00 33.01 32.15 2b3i s GLN 4 CO 0.21 -0.15 -0.15 0.42 -1.32 0.00 0.00 175.29 174.30 2b3i s ILE 5 N -3.95 1.73 -0.16 3.63 -1.09 0.53 -4.55 121.20 117.35 2b3i s ILE 5 Ca 0.11 -0.78 -0.15 0.00 -2.23 0.00 0.00 60.65 57.59 2b3i s ILE 5 Cb 0.08 -1.63 -0.04 0.00 -1.58 0.00 0.00 42.46 39.28 2b3i s ILE 5 CO -0.08 0.44 0.34 -0.54 -1.23 0.00 0.00 174.94 173.87 2b3i s LYS 6 N 1.41 4.25 -0.50 2.79 1.02 0.50 0.15 119.74 129.36 2b3i s LYS 6 Ca 0.04 0.16 -0.11 0.00 0.02 0.00 0.00 55.97 56.08 2b3i s LYS 6 Cb -0.13 -3.45 0.12 0.00 -0.52 0.00 0.00 37.83 33.85 2b3i s LYS 6 CO -0.11 0.17 0.40 -1.64 -0.92 0.00 0.00 175.35 173.25 2b3i s MET 7 N 0.67 2.65 0.00 1.68 -1.94 0.82 0.18 119.30 123.36 2b3i s MET 7 Ca 0.18 -1.77 0.00 0.00 -1.71 0.00 0.00 55.69 52.40 2b3i s MET 7 Cb -0.14 -4.05 0.00 0.00 2.01 0.00 0.00 34.83 32.66 2b3i s MET 7 CO 0.06 -1.24 0.00 0.41 -0.01 0.00 0.00 175.02 174.24 2b3i n GLY 8 N 4.99 2.80 3.97 -0.03 0.00 0.20 -0.09 105.19 117.03 2b3i n GLY 8 Ca -0.09 -1.54 -0.21 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.95 5.26 0.42 2.61 -4.23 0.21 -4.45 115.64 114.51 2b3i s THR 9 Ca 0.00 -0.96 0.30 0.00 -1.18 0.00 0.00 61.69 59.85 2b3i s THR 9 Cb 0.00 -3.85 0.30 0.00 1.34 0.00 0.00 72.50 70.29 2b3i s THR 9 CO 0.00 -0.32 1.91 -0.78 -0.54 0.00 0.00 174.62 174.89 2b3i h ASP 10 N 1.21 0.00 -0.48 3.99 3.58 -1.98 0.03 116.42 122.77 2b3i h ASP 10 Ca -0.52 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 56.61 2b3i h ASP 10 Cb 1.23 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.14 2b3i h ASP 10 CO 0.61 0.00 0.41 1.17 -2.88 0.00 0.00 179.24 178.55 2b3i n LYS 11 N -2.71 1.79 -2.26 0.28 4.81 -1.26 -4.79 118.16 114.01 2b3i n LYS 11 Ca -0.02 -1.56 0.00 0.00 -0.87 0.00 0.00 58.31 55.86 2b3i n LYS 11 Cb 0.22 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 33.66 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 0.30 -1.80 -3.53 5.64 4.01 -0.01 -4.84 117.16 116.93 2b3i n TYR 12 Ca 0.30 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.65 2b3i n TYR 12 Cb 0.61 -0.94 -0.10 0.00 -0.31 0.00 0.00 39.34 38.60 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 3.54 -0.73 -0.72 0.00 -1.17 -4.82 121.76 116.05 2b3i s ALA 13 Ca 0.00 -1.02 -0.26 0.00 0.00 0.00 0.00 51.96 50.68 2b3i s ALA 13 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.57 2b3i s ALA 13 CO 0.00 -0.60 1.59 -1.25 0.00 0.00 0.00 175.76 175.51 2b3i s PRO 14 N 1.85 2.94 -0.02 0.00 0.04 -1.26 0.65 135.00 139.20 2b3i s PRO 14 Ca 0.09 0.01 -0.26 0.00 0.04 0.00 0.00 61.00 60.89 2b3i s PRO 14 Cb -0.16 -4.46 0.06 0.00 0.04 0.00 0.00 34.50 29.97 2b3i s PRO 14 CO 0.11 -2.51 0.57 -0.48 0.04 0.00 0.00 177.00 174.73 2b3i s LEU 15 N 7.43 -0.23 -0.02 -3.56 0.05 -1.26 -4.64 118.68 116.44 2b3i s LEU 15 Ca 0.52 0.48 -0.30 0.00 0.05 0.00 0.00 54.13 54.89 2b3i s LEU 15 Cb -0.09 2.20 -0.03 0.00 -2.05 0.00 0.00 46.19 46.22 2b3i s LEU 15 CO 0.13 -0.60 0.97 -0.31 -0.55 0.00 0.00 176.35 176.00 2b3i s TYR 16 N -1.45 3.63 -0.09 3.48 2.02 -1.26 0.61 117.35 124.30 2b3i s TYR 16 Ca -0.11 1.66 0.01 0.00 -0.37 0.00 0.00 57.07 58.27 2b3i s TYR 16 Cb -0.01 -3.12 0.02 0.00 -0.40 0.00 0.00 41.96 38.45 2b3i s TYR 16 CO 0.07 -0.04 -0.11 -2.00 -1.57 0.00 0.00 175.55 171.90 2b3i s GLU 17 N 1.15 1.75 0.91 -0.62 2.12 0.47 -3.08 118.70 121.39 2b3i s GLU 17 Ca 0.51 -0.39 -0.15 0.00 0.36 0.00 0.00 54.97 55.30 2b3i s GLU 17 Cb -0.20 -1.58 0.22 0.00 0.26 0.00 0.00 34.13 32.83 2b3i s GLU 17 CO 0.26 -0.10 1.00 -0.35 -0.54 0.00 0.00 175.26 175.53 2b3i n PRO 18 N 4.31 -1.91 0.00 4.30 -0.04 -1.26 0.19 135.00 140.59 2b3i n PRO 18 Ca -0.18 -1.57 -0.11 0.00 -0.04 0.00 0.00 63.50 61.60 2b3i n PRO 18 Cb 0.51 -1.24 0.03 0.00 -0.04 0.00 0.00 33.50 32.76 2b3i n PRO 18 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2b3i h LYS 19 N 0.00 0.58 -3.98 0.54 3.64 -1.92 -3.46 116.57 111.97 2b3i h LYS 19 Ca -0.35 -0.39 -0.10 0.00 -1.27 0.00 0.00 60.65 58.54 2b3i h LYS 19 Cb 1.01 0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 32.74 2b3i h LYS 19 CO 0.24 1.01 -0.48 0.00 -2.27 0.00 0.00 179.45 177.95 2b3i s ALA 20 N -3.94 0.09 0.01 5.00 0.00 -1.26 -2.42 121.76 119.24 2b3i s ALA 20 Ca -0.08 -0.87 -0.24 0.00 0.00 0.00 0.00 51.96 50.77 2b3i s ALA 20 Cb 0.11 0.48 0.05 0.00 0.00 0.00 0.00 23.12 23.76 2b3i s ALA 20 CO 0.85 -0.48 0.54 -0.48 0.00 0.00 0.00 175.76 176.19 2b3i s LEU 21 N -2.90 -0.11 0.09 0.00 2.34 -1.17 -4.99 118.68 111.95 2b3i s LEU 21 Ca 0.08 0.32 0.10 0.00 0.06 0.00 0.00 54.13 54.69 2b3i s LEU 21 Cb 0.06 2.12 -0.03 0.00 -0.56 0.00 0.00 46.19 47.78 2b3i s LEU 21 CO -0.09 -0.65 -0.25 -0.55 -1.06 0.00 0.00 176.35 173.76 2b3i s SER 22 N -1.65 3.00 0.25 1.48 0.15 -1.26 -0.87 113.70 114.80 2b3i s SER 22 Ca -0.08 -0.67 -0.05 0.00 0.70 0.00 0.00 55.95 55.84 2b3i s SER 22 Cb -0.01 -0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 64.07 2b3i s SER 22 CO 0.03 0.17 0.34 0.27 1.20 0.00 0.00 173.24 175.24 2b3i s ILE 23 N -0.99 0.00 0.07 6.45 -4.36 0.56 -4.87 121.20 118.06 2b3i s ILE 23 Ca 0.11 -1.70 0.04 0.00 -0.26 0.00 0.00 60.65 58.84 2b3i s ILE 23 Cb -0.10 -2.41 -0.04 0.00 1.25 0.00 0.00 42.46 41.16 2b3i s ILE 23 CO 0.04 0.00 -0.00 -0.44 0.24 0.00 0.00 174.94 174.78 2b3i s SER 24 N -3.13 5.03 -0.54 4.36 0.01 -1.26 0.78 113.70 118.95 2b3i s SER 24 Ca 0.31 -0.15 -0.33 0.00 1.31 0.00 0.00 55.95 57.09 2b3i s SER 24 Cb 0.02 -1.22 -0.14 0.00 0.21 0.00 0.00 66.02 64.90 2b3i s SER 24 CO 0.13 0.20 2.34 0.00 0.41 0.00 0.00 173.24 176.32 2b3i n ALA 25 N 0.73 0.76 0.00 1.44 0.00 -1.25 0.99 120.51 123.18 2b3i n ALA 25 Ca -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2b3i n ALA 25 Cb 0.52 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.41 2b3i n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b3i n GLY 26 N 6.54 1.30 3.85 0.00 0.00 -1.10 -4.96 105.19 110.81 2b3i n GLY 26 Ca 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.52 2.58 0.13 1.61 1.11 0.28 -4.79 116.67 116.06 2b3i s ASP 27 Ca 0.00 0.37 0.05 0.00 0.18 0.00 0.00 52.55 53.15 2b3i s ASP 27 Cb 0.00 -0.46 -0.04 0.00 1.07 0.00 0.00 42.92 43.49 2b3i s ASP 27 CO 0.00 -3.08 -0.12 -0.89 1.18 0.00 0.00 175.17 172.26 2b3i s THR 28 N -3.66 1.25 -0.23 -1.27 2.01 -1.25 -2.28 115.64 110.22 2b3i s THR 28 Ca 0.73 -1.85 -0.00 0.00 0.31 0.00 0.00 61.69 60.88 2b3i s THR 28 Cb -0.05 -1.64 0.06 0.00 0.01 0.00 0.00 72.50 70.88 2b3i s THR 28 CO 0.54 -0.55 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.20 2b3i s VAL 29 N -2.61 1.24 0.62 3.82 1.01 0.15 -2.14 120.40 122.48 2b3i s VAL 29 Ca 0.12 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 2b3i s VAL 29 Cb -0.02 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.80 2b3i s VAL 29 CO 0.02 -0.16 0.91 -0.70 0.00 0.00 0.00 175.10 175.17 2b3i s GLU 30 N 1.53 2.63 -0.13 2.72 2.12 0.86 -1.97 118.70 126.45 2b3i s GLU 30 Ca -0.04 -0.22 -0.05 0.00 0.36 0.00 0.00 54.97 55.02 2b3i s GLU 30 Cb -0.18 -2.28 0.06 0.00 0.26 0.00 0.00 34.13 31.99 2b3i s GLU 30 CO -0.07 -0.86 0.27 -0.06 -0.54 0.00 0.00 175.26 173.99 2b3i s PHE 31 N -3.02 -0.43 0.14 5.30 0.40 -0.84 0.20 117.98 119.74 2b3i s PHE 31 Ca 0.56 0.97 0.10 0.00 -0.60 0.00 0.00 56.93 57.96 2b3i s PHE 31 Cb -0.11 -0.01 -0.04 0.00 0.51 0.00 0.00 43.02 43.37 2b3i s PHE 31 CO 0.44 -0.34 -0.23 0.54 0.70 0.00 0.00 175.22 176.33 2b3i s VAL 32 N 2.26 2.04 -0.25 -0.44 0.11 0.39 -1.24 120.40 123.27 2b3i s VAL 32 Ca -0.00 -1.79 -0.11 0.00 -2.93 0.00 0.00 61.98 57.15 2b3i s VAL 32 Cb -0.12 -1.87 -0.05 0.00 -1.53 0.00 0.00 36.38 32.81 2b3i s VAL 32 CO -0.09 -0.08 0.17 -0.32 -3.33 0.00 0.00 175.10 171.45 2b3i s MET 33 N -2.30 4.04 -0.06 1.54 1.75 -1.26 -0.13 119.30 122.88 2b3i s MET 33 Ca 0.14 -0.28 -0.02 0.00 -1.25 0.00 0.00 55.69 54.28 2b3i s MET 33 Cb -0.09 -3.56 -0.01 0.00 2.84 0.00 0.00 34.83 34.01 2b3i s MET 33 CO 0.07 0.01 -0.04 -0.91 -0.65 0.00 0.00 175.02 173.50 2b3i h ASN 34 N 7.70 0.00 -0.22 1.11 4.21 -0.72 -3.42 115.58 124.25 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 0.63 0.33 0.00 2.29 -1.29 0.00 0.00 177.43 179.39 2b3i n LYS 35 N -3.55 0.00 -3.99 0.81 0.00 -1.14 -5.01 118.16 105.28 2b3i n LYS 35 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.03 2b3i n LYS 35 Cb 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.06 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 -2.82 -2.84 0.58 3.14 -1.26 -4.54 118.33 110.59 2b3i n VAL 36 Ca 0.00 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 2b3i n VAL 36 Cb 0.00 -2.49 0.00 0.00 -1.06 0.00 0.00 33.84 30.29 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 -2.00 3.45 2.38 7.55 0.00 -1.26 -4.83 105.19 110.48 2b3i n GLY 37 Ca -0.30 -2.09 -0.19 0.00 0.00 0.00 0.00 46.02 43.44 2b3i n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2b3i n PRO 38 N -0.30 -1.61 0.00 1.61 -0.04 -1.26 -5.17 135.00 128.23 2b3i n PRO 38 Ca 0.00 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 2b3i n PRO 38 Cb 0.00 -0.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2b3i n PRO 38 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2b3i n HIS 39 N -3.60 0.00 0.00 0.54 8.25 -1.26 -4.91 115.22 114.23 2b3i n HIS 39 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2b3i n HIS 39 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 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 -4.31 0.41 0.23 -1.26 -3.95 115.26 106.38 2b3i n ASN 40 Ca 0.00 0.00 -0.46 0.00 -0.53 0.00 0.00 54.58 53.59 2b3i n ASN 40 Cb 0.00 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.65 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 5.21 -0.81 3.53 1.01 -1.18 -4.60 120.40 121.56 2b3i s VAL 41 Ca 0.00 -1.52 0.02 0.00 0.00 0.00 0.00 61.98 60.48 2b3i s VAL 41 Cb 0.00 -4.35 0.28 0.00 0.00 0.00 0.00 36.38 32.32 2b3i s VAL 41 CO 0.00 -0.88 1.09 -0.38 0.00 0.00 0.00 175.10 174.93 2b3i n ILE 42 N 5.22 3.70 -0.92 2.22 2.08 -1.03 0.57 119.36 131.19 2b3i n ILE 42 Ca -0.13 -5.56 -0.31 0.00 0.56 0.00 0.00 62.75 57.31 2b3i n ILE 42 Cb 0.40 -2.01 0.02 0.00 -0.75 0.00 0.00 39.64 37.30 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 0.88 -3.43 -0.10 1.39 3.72 -1.26 -2.62 117.46 116.04 2b3i n PHE 43 Ca 0.30 0.16 -0.12 0.00 -0.05 0.00 0.00 57.45 57.74 2b3i n PHE 43 Cb 0.37 -1.28 -0.04 0.00 -0.94 0.00 0.00 39.48 37.59 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 2.51 1.94 0.00 4.37 2.03 -0.41 -4.67 116.55 122.32 2b3i n ASP 44 Ca 0.02 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.67 2b3i n ASP 44 Cb 0.43 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.07 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 -4.44 0.00 -3.87 -0.67 5.02 -1.25 -4.67 118.16 108.29 2b3i n LYS 45 Ca -0.20 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 55.98 2b3i n LYS 45 Cb 0.56 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.44 2b3i n LYS 45 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2b3i s VAL 46 N -1.88 0.01 0.94 -0.18 0.11 -1.26 -3.53 120.40 114.61 2b3i s VAL 46 Ca 0.00 -0.08 -0.13 0.00 -2.93 0.00 0.00 61.98 58.84 2b3i s VAL 46 Cb 0.00 -0.09 0.16 0.00 -1.53 0.00 0.00 36.38 34.91 2b3i s VAL 46 CO 0.00 -0.05 1.15 -2.16 -3.33 0.00 0.00 175.10 170.72 2b3i s PRO 47 N -0.12 0.90 0.00 1.54 0.04 -1.26 -4.08 135.00 132.02 2b3i s PRO 47 Ca -0.02 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.22 2b3i s PRO 47 Cb -0.01 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2b3i s PRO 47 CO 0.00 -2.34 0.00 0.00 0.04 0.00 0.00 177.00 174.70 2b3i n ALA 48 N -3.85 0.00 -3.54 8.56 0.00 -1.26 -4.09 120.51 116.33 2b3i n ALA 48 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.34 2b3i n ALA 48 Cb 0.59 -0.40 -0.04 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.49 -0.13 0.59 0.00 0.00 -1.26 -4.87 105.19 99.03 2b3i n GLY 49 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.94 0.51 -3.40 1.61 -0.58 -1.26 -5.04 120.64 109.55 2b3i n GLU 50 Ca -0.15 -0.42 -0.30 0.00 -0.42 0.00 0.00 57.16 55.87 2b3i n GLU 50 Cb 0.36 -0.10 -0.07 0.00 -0.57 0.00 0.00 31.44 31.06 2b3i n GLU 50 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2b3i n SER 51 N -2.98 4.19 -0.05 1.62 3.41 -1.26 -4.84 113.62 113.70 2b3i n SER 51 Ca 0.03 -3.41 -0.14 0.00 -0.26 0.00 0.00 58.87 55.09 2b3i n SER 51 Cb 0.09 -0.80 -0.12 0.00 -0.26 0.00 0.00 64.21 63.12 2b3i n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b3i h ALA 52 N 4.56 0.00 0.00 7.33 0.00 -1.95 -1.46 119.26 127.75 2b3i h ALA 52 Ca 0.19 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2b3i h ALA 52 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2b3i h ALA 52 CO 0.91 -0.08 0.00 -0.35 0.00 0.00 0.00 179.25 179.73 2b3i n PRO 53 N -4.69 0.75 -0.02 0.00 -0.04 -1.26 -2.16 135.00 127.58 2b3i n PRO 53 Ca -0.09 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.41 2b3i n PRO 53 Cb 0.40 -1.46 -0.11 0.00 -0.04 0.00 0.00 33.50 32.30 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 -0.96 2.33 0.09 0.55 0.00 -1.20 -4.43 120.51 116.89 2b3i n ALA 54 Ca 0.17 -0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.04 2b3i n ALA 54 Cb 0.08 -0.37 -0.13 0.00 0.00 0.00 0.00 19.45 19.02 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 0.27 -9.18 0.00 3.38 -0.75 -3.45 115.31 105.58 2b3i h LEU 55 Ca -0.07 -0.30 -0.71 0.00 0.09 0.00 0.00 57.88 56.89 2b3i h LEU 55 Cb 0.88 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.56 2b3i h LEU 55 CO 0.00 1.23 0.88 -1.54 0.09 0.00 0.00 178.44 179.11 2b3i n SER 56 N -3.46 2.48 -4.24 -0.43 3.41 -1.05 -4.91 113.62 105.41 2b3i n SER 56 Ca -0.06 1.06 -0.34 0.00 -0.26 0.00 0.00 58.87 59.27 2b3i n SER 56 Cb 1.00 -1.19 -0.14 0.00 -0.26 0.00 0.00 64.21 63.62 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 3.24 4.10 -0.29 4.04 -0.87 0.19 -4.92 114.94 120.43 2b3i s ASN 57 Ca 0.96 -0.62 -0.01 0.00 -1.57 0.00 0.00 52.86 51.61 2b3i s ASN 57 Cb -1.00 -1.67 0.18 0.00 -0.02 0.00 0.00 41.25 38.75 2b3i s ASN 57 CO 0.61 -0.06 2.07 1.07 -2.57 0.00 0.00 177.10 178.22 2b3i n THR 58 N 4.72 2.73 -3.02 1.60 5.66 -1.26 -3.08 114.28 121.62 2b3i n THR 58 Ca -0.18 -1.60 -0.42 0.00 -3.05 0.00 0.00 64.05 58.79 2b3i n THR 58 Cb 0.49 -1.37 0.01 0.00 -1.55 0.00 0.00 70.33 67.91 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 0.50 4.40 -1.40 1.09 4.81 -1.26 -4.99 118.16 121.31 2b3i n LYS 59 Ca 0.28 -4.56 -0.49 0.00 -0.87 0.00 0.00 58.31 52.67 2b3i n LYS 59 Cb 0.57 -2.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.00 2b3i n LYS 59 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2b3i n LEU 60 N 1.30 0.73 -4.48 3.14 4.32 -1.26 -4.80 117.00 115.96 2b3i n LEU 60 Ca 0.26 0.36 -0.42 0.00 -0.02 0.00 0.00 56.01 56.19 2b3i n LEU 60 Cb 0.33 -0.98 -0.03 0.00 -1.62 0.00 0.00 43.42 41.12 2b3i n LEU 60 CO 0.71 -0.79 0.91 0.00 -1.22 0.00 0.00 177.39 177.01 2b3i s ALA 61 N 7.85 3.01 -0.07 -1.18 0.00 -1.25 -4.86 121.76 125.26 2b3i s ALA 61 Ca 1.25 -1.78 -0.21 0.00 0.00 0.00 0.00 51.96 51.22 2b3i s ALA 61 Cb -1.26 -4.01 -0.16 0.00 0.00 0.00 0.00 23.12 17.68 2b3i s ALA 61 CO 0.54 -2.96 0.82 0.82 0.00 0.00 0.00 175.76 174.98 2b3i h ILE 62 N 6.01 0.97 -1.16 0.00 5.03 -1.92 -3.41 117.51 123.02 2b3i h ILE 62 Ca -0.24 -1.30 -0.69 0.00 -0.12 0.00 0.00 64.86 62.50 2b3i h ILE 62 Cb 1.06 1.67 -0.01 0.00 -3.03 0.00 0.00 36.82 36.51 2b3i h ILE 62 CO 1.22 0.27 1.26 0.00 -0.68 0.00 0.00 178.15 180.21 2b3i n ALA 63 N -2.57 0.68 -2.39 1.87 0.00 -1.26 -4.87 120.51 111.97 2b3i n ALA 63 Ca -0.08 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 2b3i n ALA 63 Cb 0.28 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.27 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 5.40 4.47 0.00 0.00 0.04 -1.26 -4.52 135.00 139.13 2b3i s PRO 64 Ca 1.07 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.83 2b3i s PRO 64 Cb -0.96 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.24 2b3i s PRO 64 CO 0.55 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.82 2b3i n GLY 65 N 2.96 -0.49 0.00 0.56 0.00 -1.26 -5.09 105.19 101.88 2b3i n GLY 65 Ca 0.07 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2b3i n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2b3i n SER 66 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.76 113.62 116.85 2b3i n SER 66 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2b3i n SER 66 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2b3i n SER 66 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2b3i n PHE 67 N 0.00 0.00 -3.81 1.43 3.01 -0.37 -4.93 117.46 112.78 2b3i n PHE 67 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 2b3i n PHE 67 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2b3i n PHE 67 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 2b3i s TYR 68 N -0.33 -0.02 0.23 1.38 -0.85 -1.21 -5.03 117.35 111.53 2b3i s TYR 68 Ca 0.00 -0.33 0.10 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 42.96 2b3i s TYR 68 CO 0.00 -0.85 -0.11 -1.54 -1.52 0.00 0.00 175.55 171.54 2b3i s SER 69 N -3.19 4.10 -0.06 -0.18 1.04 -1.26 -1.98 113.70 112.17 2b3i s SER 69 Ca 0.17 -0.72 -0.05 0.00 0.48 0.00 0.00 55.95 55.83 2b3i s SER 69 Cb -0.02 -0.61 0.02 0.00 0.10 0.00 0.00 66.02 65.51 2b3i s SER 69 CO 0.04 0.06 0.16 0.68 0.98 0.00 0.00 173.24 175.15 2b3i s VAL 70 N -2.04 -0.01 0.09 5.02 -7.23 -0.83 -4.98 120.40 110.42 2b3i s VAL 70 Ca 0.27 0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.51 2b3i s VAL 70 Cb -0.07 -0.23 -0.04 0.00 0.56 0.00 0.00 36.38 36.60 2b3i s VAL 70 CO 0.16 0.02 0.16 -0.89 -0.31 0.00 0.00 175.10 174.24 2b3i s THR 71 N 0.38 4.94 0.42 5.32 2.01 -1.26 0.32 115.64 127.77 2b3i s THR 71 Ca -0.02 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.37 2b3i s THR 71 Cb -0.04 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 2b3i s THR 71 CO -0.02 0.08 0.03 -0.76 -0.69 0.00 0.00 174.62 173.27 2b3i s LEU 72 N -2.61 2.44 0.00 4.42 1.43 -0.97 -4.98 118.68 118.42 2b3i s LEU 72 Ca 0.32 -1.50 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 2b3i s LEU 72 Cb -0.12 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.46 2b3i s LEU 72 CO 0.25 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 176.78 2b3i n GLY 73 N -0.99 -0.08 3.75 -3.19 0.00 -1.26 -2.70 105.19 100.72 2b3i n GLY 73 Ca -0.09 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 2b3i n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b3i s THR 74 N -1.49 3.56 0.56 2.61 2.01 -1.26 -4.59 115.64 117.04 2b3i s THR 74 Ca 0.00 1.49 -0.17 0.00 0.31 0.00 0.00 61.69 63.32 2b3i s THR 74 Cb 0.00 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 2b3i s THR 74 CO 0.00 0.32 1.04 -2.16 -0.69 0.00 0.00 174.62 173.14 2b3i s PRO 75 N -1.08 3.50 0.00 4.92 0.04 -1.26 -4.77 135.00 136.35 2b3i s PRO 75 Ca 0.47 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.71 2b3i s PRO 75 Cb -0.32 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.17 2b3i s PRO 75 CO 0.39 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.18 2b3i n GLY 76 N -0.89 1.02 3.43 0.56 0.00 -1.20 -4.67 105.19 103.44 2b3i n GLY 76 Ca 0.09 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.12 3.95 -0.19 2.61 2.01 -1.26 -1.21 115.64 120.42 2b3i s THR 77 Ca 0.00 -0.31 -0.09 0.00 0.31 0.00 0.00 61.69 61.60 2b3i s THR 77 Cb 0.00 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 2b3i s THR 77 CO 0.00 0.41 0.10 -0.31 -0.69 0.00 0.00 174.62 174.13 2b3i s TYR 78 N 1.18 3.35 0.32 4.92 1.51 0.12 -4.28 117.35 124.46 2b3i s TYR 78 Ca 0.03 0.23 0.10 0.00 -1.01 0.00 0.00 57.07 56.43 2b3i s TYR 78 Cb -0.14 -2.11 -0.06 0.00 -0.11 0.00 0.00 41.96 39.53 2b3i s TYR 78 CO 0.01 0.26 -0.12 0.45 -1.11 0.00 0.00 175.55 175.04 2b3i s SER 79 N 0.29 3.74 0.39 2.29 0.15 -1.23 0.20 113.70 119.52 2b3i s SER 79 Ca 0.06 -1.10 -0.12 0.00 0.70 0.00 0.00 55.95 55.49 2b3i s SER 79 Cb -0.12 -0.36 0.05 0.00 -1.71 0.00 0.00 66.02 63.88 2b3i s SER 79 CO -0.01 -0.10 0.73 0.72 1.20 0.00 0.00 173.24 175.78 2b3i s PHE 80 N -2.55 0.35 0.24 3.44 -0.71 -1.11 -1.28 117.98 116.35 2b3i s PHE 80 Ca 0.32 -0.95 -0.22 0.00 -1.04 0.00 0.00 56.93 55.04 2b3i s PHE 80 Cb -0.01 0.65 0.04 0.00 -1.21 0.00 0.00 43.02 42.48 2b3i s PHE 80 CO 0.16 -1.50 0.70 1.52 -1.34 0.00 0.00 175.22 174.76 2b3i s TYR 81 N -2.36 -0.29 0.12 3.49 -0.85 -1.08 -2.36 117.35 114.03 2b3i s TYR 81 Ca 0.19 -0.09 -0.15 0.00 -0.52 0.00 0.00 57.07 56.50 2b3i s TYR 81 Cb -0.04 0.66 -0.07 0.00 0.38 0.00 0.00 41.96 42.89 2b3i s TYR 81 CO 0.14 -1.10 0.54 0.00 -1.52 0.00 0.00 175.55 173.61 2b3i h THR 83 N 2.98 1.72 -0.02 0.00 2.02 -1.91 -1.24 112.91 116.46 2b3i h THR 83 Ca -0.49 -2.37 -0.09 0.00 0.77 0.00 0.00 66.41 64.24 2b3i h THR 83 Cb 1.20 3.31 0.01 0.00 -1.74 0.00 0.00 68.15 70.93 2b3i h THR 83 CO 0.65 0.63 -0.33 1.55 0.37 0.00 0.00 175.52 178.39 2b3i h PRO 84 N -0.82 0.26 -0.31 6.66 0.13 -1.94 -3.12 132.00 132.86 2b3i h PRO 84 Ca -0.04 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2b3i h PRO 84 Cb 1.15 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2b3i h PRO 84 CO 0.04 0.94 0.00 0.72 -0.23 0.00 0.00 178.00 179.47 2b3i n HIS 85 N -4.44 0.36 -0.15 1.56 8.25 -1.26 -4.20 115.22 115.35 2b3i n HIS 85 Ca -0.09 -0.17 0.27 0.00 -0.26 0.00 0.00 57.72 57.47 2b3i n HIS 85 Cb 0.53 -0.03 0.58 0.00 1.12 0.00 0.00 29.99 32.20 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 1.39 0.00 0.00 -0.41 2.43 -1.15 1.51 114.38 118.15 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 0.40 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 2b3i h ARG 86 CO 0.02 0.00 -2.20 0.41 -1.51 0.00 0.00 179.97 176.69 2b3i n GLY 87 N -1.66 -1.01 0.28 2.80 0.00 -1.26 -4.15 105.19 100.19 2b3i n GLY 87 Ca 0.19 -0.36 0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 1.29 1.34 -0.85 4.61 0.00 0.18 -3.46 119.26 122.37 2b3i h ALA 88 Ca -0.37 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2b3i h ALA 88 Cb 1.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2b3i h ALA 88 CO 0.02 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.76 2b3i n GLY 89 N -0.94 0.67 3.13 0.00 0.00 -0.43 -5.07 105.19 102.54 2b3i n GLY 89 Ca -0.02 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.44 2.18 0.02 1.61 -1.94 -1.23 -4.93 119.30 113.58 2b3i s MET 90 Ca 0.00 -1.95 -0.01 0.00 -1.71 0.00 0.00 55.69 52.03 2b3i s MET 90 Cb 0.00 -3.67 -0.02 0.00 2.01 0.00 0.00 34.83 33.15 2b3i s MET 90 CO 0.00 -1.11 -0.02 0.14 -0.01 0.00 0.00 175.02 174.02 2b3i s VAL 91 N 0.95 0.12 0.05 -6.03 -7.23 -1.26 -0.39 120.40 106.61 2b3i s VAL 91 Ca 0.10 -1.02 0.01 0.00 -1.81 0.00 0.00 61.98 59.25 2b3i s VAL 91 Cb -0.23 -0.45 -0.00 0.00 0.56 0.00 0.00 36.38 36.26 2b3i s VAL 91 CO -0.04 -0.56 0.03 0.61 -0.31 0.00 0.00 175.10 174.83 2b3i n GLY 92 N 1.38 3.92 3.52 2.32 0.00 -0.99 -4.63 105.19 110.71 2b3i n GLY 92 Ca -0.23 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.01 0.03 0.18 2.61 2.01 -1.02 -2.76 115.64 114.69 2b3i s THR 93 Ca 0.05 -0.89 -0.13 0.00 0.31 0.00 0.00 61.69 61.03 2b3i s THR 93 Cb 0.00 -1.66 0.01 0.00 0.01 0.00 0.00 72.50 70.86 2b3i s THR 93 CO 0.03 -0.12 0.39 -0.63 -0.69 0.00 0.00 174.62 173.60 2b3i s ILE 94 N -3.89 0.04 -0.05 1.82 1.01 0.52 -3.02 121.20 117.64 2b3i s ILE 94 Ca 0.11 -1.16 -0.04 0.00 0.00 0.00 0.00 60.65 59.56 2b3i s ILE 94 Cb -0.01 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.71 2b3i s ILE 94 CO -0.01 -0.20 0.13 -0.89 0.00 0.00 0.00 174.94 173.96 2b3i s THR 95 N -3.94 -0.01 -0.61 2.92 2.01 -0.05 -0.71 115.64 115.26 2b3i s THR 95 Ca 0.14 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.21 2b3i s THR 95 Cb 0.01 -0.19 0.17 0.00 0.01 0.00 0.00 72.50 72.50 2b3i s THR 95 CO -0.00 0.01 0.43 -0.69 -0.69 0.00 0.00 174.62 173.67 2b3i s VAL 96 N 0.20 2.18 -2.25 3.82 1.01 -0.35 0.21 120.40 125.21 2b3i s VAL 96 Ca -0.01 -3.73 0.30 0.00 0.00 0.00 0.00 61.98 58.54 2b3i s VAL 96 Cb -0.02 -2.45 0.73 0.00 0.00 0.00 0.00 36.38 34.64 2b3i s VAL 96 CO -0.01 -1.04 1.99 1.21 0.00 0.00 0.00 175.10 177.25