#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bal s ASP 2 N 0.00 3.38 0.22 7.83 1.01 -1.26 -5.10 116.67 122.75 3bal s ASP 2 Ca 0.00 -1.10 -0.31 0.00 0.71 0.00 0.00 52.55 51.85 3bal s ASP 2 Cb 0.00 -0.27 -0.15 0.00 1.01 0.00 0.00 42.92 43.51 3bal s ASP 2 CO 0.00 -0.12 1.18 0.00 0.21 0.00 0.00 175.17 176.44 3bal n TYR 3 N -0.64 1.48 -3.44 4.23 9.36 -1.26 -4.95 117.16 121.95 3bal n TYR 3 Ca -0.05 0.63 -0.39 0.00 3.32 0.00 0.00 57.90 61.41 3bal n TYR 3 Cb 0.62 -2.31 -0.10 0.00 -0.63 0.00 0.00 39.34 36.92 3bal n TYR 3 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3bal s ASN 5 N 1.69 6.12 0.13 0.00 0.02 -1.26 -5.02 114.94 116.62 3bal s ASN 5 Ca 0.12 2.70 0.08 0.00 -1.02 0.00 0.00 52.86 54.75 3bal s ASN 5 Cb -0.16 -2.64 -0.04 0.00 0.02 0.00 0.00 41.25 38.43 3bal s ASN 5 CO 0.11 -0.98 -0.19 -0.54 0.02 0.00 0.00 177.10 175.52 3bal s LYS 6 N -2.36 1.18 0.26 -0.60 -0.14 -1.26 -5.15 119.74 111.66 3bal s LYS 6 Ca 0.59 -1.28 0.11 0.00 -1.36 0.00 0.00 55.97 54.03 3bal s LYS 6 Cb -0.39 -1.30 -0.05 0.00 -1.68 0.00 0.00 37.83 34.41 3bal s LYS 6 CO 0.50 0.28 -0.18 0.15 -0.76 0.00 0.00 175.35 175.34 3bal s LYS 7 N -2.40 1.75 0.19 1.68 -0.14 -1.26 -5.09 119.74 114.47 3bal s LYS 7 Ca 0.11 -1.65 -0.33 0.00 -1.36 0.00 0.00 55.97 52.74 3bal s LYS 7 Cb -0.07 -1.85 -0.14 0.00 -1.68 0.00 0.00 37.83 34.08 3bal s LYS 7 CO 0.05 0.35 1.50 1.58 -0.76 0.00 0.00 175.35 178.07 3bal n HIS 8 N -0.46 2.22 -2.27 3.18 -0.00 -1.26 -4.93 115.22 111.70 3bal n HIS 8 Ca -0.07 0.35 -0.41 0.00 -0.00 0.00 0.00 57.72 57.59 3bal n HIS 8 Cb 0.59 -2.50 -0.03 0.00 -0.00 0.00 0.00 29.99 28.05 3bal n HIS 8 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3bal s THR 9 N 0.47 3.08 0.24 3.57 2.01 -1.26 -4.98 115.64 118.77 3bal s THR 9 Ca 0.74 1.06 -0.30 0.00 0.31 0.00 0.00 61.69 63.50 3bal s THR 9 Cb -0.67 -3.68 -0.10 0.00 0.01 0.00 0.00 72.50 68.07 3bal s THR 9 CO 0.43 0.24 1.37 0.00 -0.69 0.00 0.00 174.62 175.97 3bal s ALA 10 N -1.01 3.57 0.74 7.40 0.00 -1.26 -5.02 121.76 126.18 3bal s ALA 10 Ca 0.48 1.23 -0.11 0.00 0.00 0.00 0.00 51.96 53.56 3bal s ALA 10 Cb -0.36 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.28 3bal s ALA 10 CO 0.47 -0.64 1.08 -1.21 0.00 0.00 0.00 175.76 175.45 3bal s GLU 11 N -0.53 2.55 0.03 0.00 8.01 -1.26 -5.06 118.70 122.43 3bal s GLU 11 Ca 0.56 1.10 0.02 0.00 0.01 0.00 0.00 54.97 56.67 3bal s GLU 11 Cb -0.39 -1.94 -0.02 0.00 -4.31 0.00 0.00 34.13 27.47 3bal s GLU 11 CO 0.43 -1.41 -0.07 -1.21 0.01 0.00 0.00 175.26 173.00 3bal s GLU 12 N -4.90 0.50 -0.06 1.61 2.02 -1.26 -5.14 118.70 111.46 3bal s GLU 12 Ca 0.60 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 55.01 3bal s GLU 12 Cb -0.16 -0.33 0.02 0.00 0.10 0.00 0.00 34.13 33.76 3bal s GLU 12 CO 0.55 0.07 -0.04 -0.47 0.02 0.00 0.00 175.26 175.38 3bal s TYR 13 N -1.00 0.90 -0.17 1.61 5.04 -1.26 -5.13 117.35 117.35 3bal s TYR 13 Ca -0.06 -0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.26 3bal s TYR 13 Cb -0.08 -0.83 0.03 0.00 0.35 0.00 0.00 41.96 41.44 3bal s TYR 13 CO 0.00 -0.29 -0.10 0.08 -1.34 0.00 0.00 175.55 173.90 3bal s VAL 14 N 1.33 1.41 0.04 3.14 1.01 -1.26 -5.11 120.40 120.95 3bal s VAL 14 Ca -0.04 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 3bal s VAL 14 Cb -0.14 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3bal s VAL 14 CO -0.02 0.27 0.95 -0.75 0.00 0.00 0.00 175.10 175.54 3bal s LYS 15 N 1.52 4.60 -0.45 2.72 2.47 -1.26 -5.00 119.74 124.33 3bal s LYS 15 Ca 0.02 1.38 -0.16 0.00 -1.56 0.00 0.00 55.97 55.65 3bal s LYS 15 Cb -0.15 -3.43 0.05 0.00 -1.46 0.00 0.00 37.83 32.85 3bal s LYS 15 CO -0.09 0.06 0.41 0.42 0.16 0.00 0.00 175.35 176.31 3bal s ILE 16 N 0.61 5.17 -0.06 5.43 1.01 -1.26 -5.06 121.20 127.04 3bal s ILE 16 Ca 0.49 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 60.36 3bal s ILE 16 Cb -0.22 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 3bal s ILE 16 CO 0.28 -0.52 0.04 -0.44 0.00 0.00 0.00 174.94 174.30 3bal s SER 17 N 2.25 5.51 0.57 3.58 0.01 -1.26 -4.99 113.70 119.38 3bal s SER 17 Ca 0.07 0.17 0.27 0.00 1.31 0.00 0.00 55.95 57.77 3bal s SER 17 Cb -0.21 -1.59 1.70 0.00 0.21 0.00 0.00 66.02 66.14 3bal s SER 17 CO 0.09 0.34 2.23 0.44 0.41 0.00 0.00 173.24 176.76 3bal h ASP 18 N 4.75 0.00 0.63 2.44 3.32 -2.00 -1.81 116.42 123.74 3bal h ASP 18 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3bal h ASP 18 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3bal h ASP 18 CO 0.57 0.00 0.00 0.78 -1.72 0.00 0.00 179.24 178.88 3bal h ASN 19 N 0.00 0.00 -0.18 6.45 2.35 -2.02 -3.14 115.58 119.04 3bal h ASN 19 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3bal h ASN 19 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3bal h ASN 19 CO 0.00 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.37 3bal n ASN 20 N -2.81 2.86 -4.72 5.81 3.02 -0.68 -4.92 115.26 113.82 3bal n ASN 20 Ca -0.00 -1.91 -0.42 0.00 -0.03 0.00 0.00 54.58 52.22 3bal n ASN 20 Cb 0.21 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 3bal n ASN 20 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3bal s TYR 21 N -1.79 3.55 0.27 3.10 1.51 -1.19 -4.75 117.35 118.06 3bal s TYR 21 Ca 0.34 1.49 0.07 0.00 -1.01 0.00 0.00 57.07 57.96 3bal s TYR 21 Cb 0.21 -3.30 -0.06 0.00 -0.11 0.00 0.00 41.96 38.70 3bal s TYR 21 CO 0.31 -0.75 -0.08 0.14 -1.11 0.00 0.00 175.55 174.06 3bal s VAL 22 N 0.62 1.74 0.22 0.71 -7.23 -0.33 -4.82 120.40 111.30 3bal s VAL 22 Ca 0.54 -2.16 -0.31 0.00 -1.81 0.00 0.00 61.98 58.24 3bal s VAL 22 Cb -0.27 -2.41 -0.11 0.00 0.56 0.00 0.00 36.38 34.15 3bal s VAL 22 CO 0.31 -0.33 1.63 -2.84 -0.31 0.00 0.00 175.10 173.55 3bal s PRO 23 N -3.70 4.16 0.36 4.82 0.02 -1.26 -0.56 135.00 138.84 3bal s PRO 23 Ca 0.29 2.51 -0.25 0.00 0.02 0.00 0.00 61.00 63.57 3bal s PRO 23 Cb 0.03 -3.09 -0.10 0.00 0.02 0.00 0.00 34.50 31.37 3bal s PRO 23 CO 0.12 -0.66 1.00 0.12 -0.33 0.00 0.00 177.00 177.25 3bal s PHE 24 N 0.81 3.46 0.12 6.54 5.36 0.42 -4.83 117.98 129.86 3bal s PHE 24 Ca 0.70 1.70 -0.35 0.00 -0.96 0.00 0.00 56.93 58.02 3bal s PHE 24 Cb -0.47 -3.03 -0.16 0.00 -0.34 0.00 0.00 43.02 39.02 3bal s PHE 24 CO 0.36 -0.24 1.27 -0.35 -1.46 0.00 0.00 175.22 174.81 3bal n PRO 25 N 0.21 1.15 0.28 10.12 -0.04 -1.26 -4.85 135.00 140.61 3bal n PRO 25 Ca 0.04 0.41 0.17 0.00 -0.04 0.00 0.00 63.50 64.08 3bal n PRO 25 Cb 0.50 -2.00 0.77 0.00 -0.04 0.00 0.00 33.50 32.73 3bal n PRO 25 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3bal h GLU 26 N 4.11 0.00 0.00 0.54 5.08 -1.92 -2.72 114.58 119.67 3bal h GLU 26 Ca -0.46 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.84 3bal h GLU 26 Cb 1.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 3bal h GLU 26 CO 0.75 0.05 -0.29 0.00 -1.00 0.00 0.00 179.01 178.52 3bal h ALA 27 N 1.95 0.99 -0.14 3.43 0.00 -2.03 -3.27 119.26 120.18 3bal h ALA 27 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3bal h ALA 27 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3bal h ALA 27 CO 0.01 0.37 0.00 1.19 0.00 0.00 0.00 179.25 180.82 3bal n PHE 28 N -3.43 0.45 -3.72 0.00 3.01 -1.03 -4.89 117.46 107.84 3bal n PHE 28 Ca 0.00 -0.86 -0.07 0.00 1.01 0.00 0.00 57.45 57.54 3bal n PHE 28 Cb 0.48 -0.20 -0.02 0.00 -0.01 0.00 0.00 39.48 39.73 3bal n PHE 28 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3bal s SER 29 N -2.13 -0.29 0.03 4.37 1.04 -1.19 -1.32 113.70 114.20 3bal s SER 29 Ca 0.33 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.39 3bal s SER 29 Cb 0.27 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.97 3bal s SER 29 CO 0.06 -1.08 -0.08 -0.62 0.98 0.00 0.00 173.24 172.50 3bal s ASP 30 N -2.86 0.90 0.00 7.02 -1.08 -0.04 -4.71 116.67 115.89 3bal s ASP 30 Ca 0.09 -0.41 0.00 0.00 -0.52 0.00 0.00 52.55 51.71 3bal s ASP 30 Cb -0.03 -0.01 0.00 0.00 -1.46 0.00 0.00 42.92 41.42 3bal s ASP 30 CO 0.01 -0.10 0.00 0.61 0.52 0.00 0.00 175.17 176.21 3bal n GLY 31 N 1.92 -2.12 2.73 2.66 0.00 -1.26 -1.33 105.19 107.78 3bal n GLY 31 Ca -0.19 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.53 3bal n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bal n GLY 32 N -0.04 5.95 3.72 -0.02 0.00 -1.26 -4.97 105.19 108.57 3bal n GLY 32 Ca 0.00 -2.61 -0.42 0.00 0.00 0.00 0.00 46.02 42.99 3bal n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bal s ILE 33 N -4.54 2.76 0.26 -0.61 1.01 -1.26 -4.60 121.20 114.21 3bal s ILE 33 Ca 0.43 0.56 0.11 0.00 0.00 0.00 0.00 60.65 61.75 3bal s ILE 33 Cb 0.26 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 3bal s ILE 33 CO -0.18 0.05 -0.16 0.42 0.00 0.00 0.00 174.94 175.07 3bal s THR 34 N 0.95 2.70 0.26 2.92 -4.23 -0.75 -0.44 115.64 117.05 3bal s THR 34 Ca 0.67 -2.21 -0.09 0.00 -1.18 0.00 0.00 61.69 58.89 3bal s THR 34 Cb -0.42 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.05 3bal s THR 34 CO 0.33 -0.34 0.49 -2.67 -0.54 0.00 0.00 174.62 171.90 3bal n TRP 35 N -0.50 -1.80 -3.70 3.99 4.27 0.28 -1.13 117.44 118.84 3bal n TRP 35 Ca -0.07 -1.26 -0.12 0.00 -3.89 0.00 0.00 57.50 52.16 3bal n TRP 35 Cb 0.59 0.58 -0.10 0.00 -1.36 0.00 0.00 31.31 31.02 3bal n TRP 35 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 3bal s GLN 36 N -2.12 0.52 -0.18 -2.67 -0.21 -0.91 -1.19 119.66 112.90 3bal s GLN 36 Ca 0.12 0.77 -0.18 0.00 0.02 0.00 0.00 55.36 56.08 3bal s GLN 36 Cb -0.03 0.15 -0.04 0.00 1.00 0.00 0.00 33.01 34.10 3bal s GLN 36 CO 0.09 -0.11 0.48 -1.17 -2.12 0.00 0.00 175.29 172.46 3bal s LEU 37 N 0.80 4.18 -0.20 2.90 2.96 -1.26 -1.87 118.68 126.20 3bal s LEU 37 Ca -0.04 0.68 0.04 0.00 -0.22 0.00 0.00 54.13 54.58 3bal s LEU 37 Cb -0.05 -2.66 -0.21 0.00 0.50 0.00 0.00 46.19 43.76 3bal s LEU 37 CO -0.06 -0.11 0.05 0.18 -1.32 0.00 0.00 176.35 175.08 3bal n LEU 38 N 4.42 2.20 -3.56 -0.68 4.77 0.27 -4.98 117.00 119.45 3bal n LEU 38 Ca -0.06 0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.78 3bal n LEU 38 Cb 0.51 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 3bal n LEU 38 CO 0.42 0.80 0.49 -2.28 -1.33 0.00 0.00 177.39 175.49 3bal s HIS 39 N -2.53 -0.64 -0.02 -1.77 5.04 -0.98 -4.97 115.29 109.41 3bal s HIS 39 Ca -0.25 1.26 0.04 0.00 -1.54 0.00 0.00 55.06 54.57 3bal s HIS 39 Cb 0.08 0.38 -0.01 0.00 0.04 0.00 0.00 32.58 33.07 3bal s HIS 39 CO 0.70 -0.50 -0.13 -1.12 -2.34 0.00 0.00 174.74 171.34 3bal s SER 40 N -0.74 1.64 -0.55 9.88 0.01 -1.26 -1.05 113.70 121.62 3bal s SER 40 Ca -0.07 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 56.95 3bal s SER 40 Cb -0.01 -0.28 0.14 0.00 0.21 0.00 0.00 66.02 66.08 3bal s SER 40 CO 0.06 0.15 0.32 -0.44 0.41 0.00 0.00 173.24 173.74 3bal s SER 41 N -0.17 4.70 0.60 2.44 0.01 0.15 -4.97 113.70 116.47 3bal s SER 41 Ca 0.02 -2.91 0.33 0.00 1.31 0.00 0.00 55.95 54.71 3bal s SER 41 Cb -0.07 -1.72 1.92 0.00 0.21 0.00 0.00 66.02 66.35 3bal s SER 41 CO 0.00 -0.29 2.25 1.55 0.41 0.00 0.00 173.24 177.16 3bal h PRO 42 N 6.76 0.00 0.13 12.44 0.13 -1.96 0.38 132.00 149.88 3bal h PRO 42 Ca -0.05 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.86 3bal h PRO 42 Cb 0.92 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.06 3bal h PRO 42 CO 0.69 0.02 -1.02 1.49 -0.23 0.00 0.00 178.00 178.96 3bal h GLU 43 N 0.00 0.27 0.16 0.86 4.81 -1.95 -3.37 114.58 115.36 3bal h GLU 43 Ca -0.00 -0.46 -0.29 0.00 -0.13 0.00 0.00 59.36 58.48 3bal h GLU 43 Cb 0.07 0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.63 3bal h GLU 43 CO 0.00 1.22 -1.30 1.15 -0.73 0.00 0.00 179.01 179.35 3bal h THR 44 N -0.38 1.45 0.00 0.32 2.02 -1.96 -3.48 112.91 110.89 3bal h THR 44 Ca -0.20 -2.98 0.00 0.00 0.77 0.00 0.00 66.41 64.00 3bal h THR 44 Cb 1.66 2.97 0.00 0.00 -1.74 0.00 0.00 68.15 71.04 3bal h THR 44 CO 0.11 0.88 0.00 -1.54 0.37 0.00 0.00 175.52 175.33 3bal n SER 45 N -3.58 -1.50 -4.88 4.18 3.41 0.13 -4.85 113.62 106.53 3bal n SER 45 Ca -0.10 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.26 3bal n SER 45 Cb 1.04 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 64.61 3bal n SER 45 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3bal s SER 46 N -2.68 5.95 0.08 4.04 1.04 -1.17 -1.38 113.70 119.58 3bal s SER 46 Ca 0.00 -0.00 -0.15 0.00 0.48 0.00 0.00 55.95 56.28 3bal s SER 46 Cb 0.00 -1.68 0.03 0.00 0.10 0.00 0.00 66.02 64.47 3bal s SER 46 CO 0.00 0.03 0.35 -1.66 0.98 0.00 0.00 173.24 172.94 3bal s TRP 47 N -1.83 -0.14 -0.00 5.02 1.48 0.07 -0.67 118.94 122.86 3bal s TRP 47 Ca 0.33 -0.08 0.02 0.00 -1.06 0.00 0.00 56.10 55.31 3bal s TRP 47 Cb -0.10 0.16 -0.01 0.00 -1.16 0.00 0.00 33.47 32.37 3bal s TRP 47 CO 0.26 -0.60 -0.07 0.99 -4.06 0.00 0.00 176.95 173.48 3bal s THR 48 N -3.17 0.54 0.25 0.66 2.01 -0.22 0.07 115.64 115.78 3bal s THR 48 Ca -0.01 -0.32 -0.10 0.00 0.31 0.00 0.00 61.69 61.56 3bal s THR 48 Cb 0.01 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 3bal s THR 48 CO -0.07 0.13 0.44 0.00 -0.69 0.00 0.00 174.62 174.43 3bal s ALA 49 N -0.21 0.02 -0.01 7.40 0.00 -0.69 -0.57 121.76 127.71 3bal s ALA 49 Ca 0.02 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.96 3bal s ALA 49 Cb -0.03 1.11 0.00 0.00 0.00 0.00 0.00 23.12 24.20 3bal s ALA 49 CO -0.00 -0.82 -0.05 -1.50 0.00 0.00 0.00 175.76 173.38 3bal s ILE 50 N -3.89 0.46 0.05 0.00 2.07 -0.78 -1.32 121.20 117.78 3bal s ILE 50 Ca 0.25 -0.22 0.08 0.00 -1.41 0.00 0.00 60.65 59.35 3bal s ILE 50 Cb 0.00 -0.41 -0.03 0.00 0.13 0.00 0.00 42.46 42.16 3bal s ILE 50 CO 0.11 0.14 -0.22 -0.36 -1.91 0.00 0.00 174.94 172.70 3bal s PHE 51 N 0.05 1.88 -0.26 3.50 0.40 0.08 -2.14 117.98 121.49 3bal s PHE 51 Ca -0.00 -0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 55.92 3bal s PHE 51 Cb -0.04 -1.11 0.02 0.00 0.51 0.00 0.00 43.02 42.40 3bal s PHE 51 CO -0.00 0.11 -0.03 -0.80 0.70 0.00 0.00 175.22 175.20 3bal s ASN 52 N -1.28 4.50 -0.22 1.36 0.01 -0.29 -1.87 114.94 117.15 3bal s ASN 52 Ca 0.08 -0.84 -0.02 0.00 -0.71 0.00 0.00 52.86 51.37 3bal s ASN 52 Cb -0.09 -1.71 0.01 0.00 0.41 0.00 0.00 41.25 39.87 3bal s ASN 52 CO 0.02 -0.14 -0.09 0.00 -1.51 0.00 0.00 177.10 175.38 3bal s PRO 54 N 1.38 1.63 0.34 0.00 0.02 -1.26 0.00 135.00 137.10 3bal s PRO 54 Ca 0.03 1.45 -0.29 0.00 0.02 0.00 0.00 61.00 62.22 3bal s PRO 54 Cb -0.15 -1.80 -0.11 0.00 0.02 0.00 0.00 34.50 32.46 3bal s PRO 54 CO -0.06 -2.16 1.47 0.00 -0.33 0.00 0.00 177.00 175.92 3bal s ALA 55 N -2.63 3.60 0.00 -1.55 0.00 -1.26 -2.15 121.76 117.77 3bal s ALA 55 Ca 0.66 1.49 0.00 0.00 0.00 0.00 0.00 51.96 54.11 3bal s ALA 55 Cb -0.22 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3bal s ALA 55 CO 0.55 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.79 3bal n GLY 56 N 1.07 0.69 3.95 0.00 0.00 0.26 -4.91 105.19 106.24 3bal n GLY 56 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3bal n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bal s SER 57 N -2.35 5.23 0.18 1.61 1.04 -0.91 -4.73 113.70 113.76 3bal s SER 57 Ca 0.00 0.25 -0.24 0.00 0.48 0.00 0.00 55.95 56.44 3bal s SER 57 Cb 0.00 -1.12 0.06 0.00 0.10 0.00 0.00 66.02 65.06 3bal s SER 57 CO 0.00 -1.22 0.89 -0.94 0.98 0.00 0.00 173.24 172.95 3bal s SER 58 N -4.42 -0.22 0.12 7.02 1.04 -0.44 -1.61 113.70 115.19 3bal s SER 58 Ca 0.57 -0.42 0.04 0.00 0.48 0.00 0.00 55.95 56.62 3bal s SER 58 Cb -0.10 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 3bal s SER 58 CO 0.41 -1.00 0.07 -0.36 0.98 0.00 0.00 173.24 173.35 3bal s PHE 59 N -3.44 3.11 0.85 5.02 0.40 -0.98 -0.86 117.98 122.08 3bal s PHE 59 Ca 0.11 0.01 -0.11 0.00 -0.60 0.00 0.00 56.93 56.35 3bal s PHE 59 Cb -0.02 -1.55 0.10 0.00 0.51 0.00 0.00 43.02 42.06 3bal s PHE 59 CO 0.02 0.51 1.10 0.00 0.70 0.00 0.00 175.22 177.56 3bal s ALA 60 N -1.51 1.78 0.27 5.36 0.00 -0.44 -4.02 121.76 123.21 3bal s ALA 60 Ca 0.29 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.23 3bal s ALA 60 Cb -0.11 -3.31 -0.12 0.00 0.00 0.00 0.00 23.12 19.58 3bal s ALA 60 CO 0.21 -2.25 1.62 0.43 0.00 0.00 0.00 175.76 175.77 3bal n SER 61 N -3.85 3.84 -3.55 0.00 7.64 -1.16 -4.79 113.62 111.75 3bal n SER 61 Ca 0.09 1.13 -0.11 0.00 1.01 0.00 0.00 58.87 60.99 3bal n SER 61 Cb 0.53 -1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 62.12 3bal n SER 61 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 3bal s HIS 62 N 0.27 -0.37 -0.04 1.43 -3.43 -0.72 -1.68 115.29 110.74 3bal s HIS 62 Ca 0.67 0.10 0.06 0.00 -0.80 0.00 0.00 55.06 55.09 3bal s HIS 62 Cb -0.51 0.47 -0.01 0.00 -1.43 0.00 0.00 32.58 31.10 3bal s HIS 62 CO 0.45 -0.85 -0.23 0.42 -2.00 0.00 0.00 174.74 172.53 3bal s ILE 63 N -3.79 1.84 -0.33 -5.38 1.01 -0.27 -0.73 121.20 113.56 3bal s ILE 63 Ca 0.03 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 59.47 3bal s ILE 63 Cb -0.01 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.91 3bal s ILE 63 CO -0.10 0.52 0.86 -1.00 0.00 0.00 0.00 174.94 175.22 3bal s HIS 64 N -0.21 3.16 0.28 3.97 3.76 -0.74 -0.78 115.29 124.73 3bal s HIS 64 Ca -0.01 0.83 0.01 0.00 -0.15 0.00 0.00 55.06 55.74 3bal s HIS 64 Cb -0.12 -3.39 0.39 0.00 1.11 0.00 0.00 32.58 30.57 3bal s HIS 64 CO 0.02 -0.67 1.74 0.00 -0.85 0.00 0.00 174.74 174.98 3bal h ALA 65 N 8.23 1.11 -4.40 -1.40 0.00 -1.70 0.81 119.26 121.91 3bal h ALA 65 Ca -0.24 -0.31 -0.36 0.00 0.00 0.00 0.00 54.91 54.00 3bal h ALA 65 Cb 1.09 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 3bal h ALA 65 CO 0.93 0.55 -0.32 0.41 0.00 0.00 0.00 179.25 180.82 3bal n GLY 66 N -0.48 3.42 3.77 0.00 0.00 -1.20 -4.41 105.19 106.29 3bal n GLY 66 Ca 0.00 -1.97 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 3bal n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bal s PRO 67 N -3.01 4.18 -0.00 1.61 0.04 -1.26 -3.78 135.00 132.78 3bal s PRO 67 Ca 0.19 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.19 3bal s PRO 67 Cb 0.01 -2.82 -0.01 0.00 0.04 0.00 0.00 34.50 31.72 3bal s PRO 67 CO 0.13 -0.24 -0.08 0.20 0.04 0.00 0.00 177.00 177.05 3bal s GLY 68 N -0.94 0.40 -0.09 0.56 0.00 -0.16 -1.84 107.32 105.24 3bal s GLY 68 Ca 0.54 -0.37 0.02 0.00 0.00 0.00 0.00 44.72 44.91 3bal s GLY 68 CO 0.43 -0.31 -0.14 -0.54 0.00 0.00 0.00 173.10 172.53 3bal s GLU 69 N -0.26 2.04 0.13 2.90 2.02 -0.66 -0.90 118.70 123.97 3bal s GLU 69 Ca 0.03 -0.51 0.10 0.00 0.02 0.00 0.00 54.97 54.61 3bal s GLU 69 Cb -0.03 -1.71 -0.04 0.00 0.10 0.00 0.00 34.13 32.45 3bal s GLU 69 CO -0.00 -0.01 -0.22 1.52 0.02 0.00 0.00 175.26 176.57 3bal s TYR 70 N 0.83 2.42 -0.30 1.61 -0.85 -0.43 -1.62 117.35 119.01 3bal s TYR 70 Ca -0.10 -0.32 0.02 0.00 -0.52 0.00 0.00 57.07 56.14 3bal s TYR 70 Cb -0.15 -1.28 0.09 0.00 0.38 0.00 0.00 41.96 40.99 3bal s TYR 70 CO 0.01 0.39 0.03 0.12 -1.52 0.00 0.00 175.55 174.59 3bal s PHE 71 N -1.20 2.78 -0.50 -3.49 5.99 0.16 -1.28 117.98 120.45 3bal s PHE 71 Ca 0.17 -2.29 -0.28 0.00 0.00 0.00 0.00 56.93 54.53 3bal s PHE 71 Cb -0.10 -2.19 0.03 0.00 0.00 0.00 0.00 43.02 40.76 3bal s PHE 71 CO 0.09 -0.88 1.10 -1.17 -0.00 0.00 0.00 175.22 174.35 3bal s LEU 72 N 1.25 3.70 0.10 6.12 2.96 0.49 -1.58 118.68 131.71 3bal s LEU 72 Ca 0.06 0.30 0.20 0.00 -0.22 0.00 0.00 54.13 54.47 3bal s LEU 72 Cb -0.18 -3.39 -0.12 0.00 0.50 0.00 0.00 46.19 43.00 3bal s LEU 72 CO -0.13 -1.25 0.82 0.35 -1.32 0.00 0.00 176.35 174.82 3bal n THR 73 N 6.72 0.72 -3.76 3.68 -2.24 -0.71 -2.00 114.28 116.68 3bal n THR 73 Ca 0.10 -0.60 -0.13 0.00 -2.27 0.00 0.00 64.05 61.15 3bal n THR 73 Cb 0.49 -0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 68.22 3bal n THR 73 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3bal s LYS 74 N -3.22 0.50 2.19 -0.78 1.02 -1.01 -4.71 119.74 113.73 3bal s LYS 74 Ca -0.03 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.15 3bal s LYS 74 Cb 0.10 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.64 3bal s LYS 74 CO 0.82 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.56 3bal n GLY 75 N 2.23 -0.44 3.04 -3.33 0.00 -1.25 -1.34 105.19 104.11 3bal n GLY 75 Ca -0.17 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 3bal n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bal s LYS 76 N 0.00 0.21 -0.04 1.61 2.20 -1.26 -1.94 119.74 120.52 3bal s LYS 76 Ca 0.00 0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.79 3bal s LYS 76 Cb 0.00 0.10 0.02 0.00 -1.51 0.00 0.00 37.83 36.44 3bal s LYS 76 CO 0.00 -0.03 -0.06 1.41 -0.36 0.00 0.00 175.35 176.31 3bal s MET 77 N -0.05 0.90 -0.32 4.03 -2.45 -0.43 -3.98 119.30 117.00 3bal s MET 77 Ca -0.01 -0.16 -0.10 0.00 -1.25 0.00 0.00 55.69 54.17 3bal s MET 77 Cb -0.02 -0.87 -0.00 0.00 1.25 0.00 0.00 34.83 35.19 3bal s MET 77 CO 0.00 -0.04 0.17 -1.21 1.05 0.00 0.00 175.02 174.99 3bal s GLU 78 N 0.76 3.30 -0.01 4.11 2.02 0.37 -0.44 118.70 128.81 3bal s GLU 78 Ca -0.11 -0.75 0.05 0.00 0.02 0.00 0.00 54.97 54.18 3bal s GLU 78 Cb -0.14 -3.62 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 3bal s GLU 78 CO 0.01 -0.45 -0.15 0.54 0.02 0.00 0.00 175.26 175.22 3bal s VAL 79 N 1.62 3.00 -1.63 2.63 0.11 -0.44 -1.97 120.40 123.72 3bal s VAL 79 Ca 0.04 -0.92 -0.02 0.00 -2.93 0.00 0.00 61.98 58.16 3bal s VAL 79 Cb -0.17 -2.22 0.00 0.00 -1.53 0.00 0.00 36.38 32.46 3bal s VAL 79 CO 0.07 0.47 0.23 0.54 -3.33 0.00 0.00 175.10 173.08 3bal n ARG 80 N 1.93 -2.92 -0.02 1.54 1.74 -1.26 -1.40 116.66 116.27 3bal n ARG 80 Ca -0.16 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 3bal n ARG 80 Cb 0.52 -5.66 0.00 0.00 -1.02 0.00 0.00 32.46 26.30 3bal n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bal n GLY 81 N -1.18 0.40 0.00 -0.13 0.00 -1.26 -3.34 105.19 99.68 3bal n GLY 81 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3bal n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bal n GLY 82 N -2.00 -1.40 0.29 -0.02 0.00 -0.85 -3.66 105.19 97.55 3bal n GLY 82 Ca 0.00 -1.57 0.02 0.00 0.00 0.00 0.00 46.02 44.47 3bal n GLY 82 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3bal h GLU 83 N 0.00 0.53 0.00 1.61 4.11 -1.72 0.71 114.58 119.82 3bal h GLU 83 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.36 3bal h GLU 83 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3bal h GLU 83 CO 0.00 0.46 0.00 0.00 0.07 0.00 0.00 179.01 179.54 3bal n GLN 84 N -4.38 0.14 -0.99 1.06 0.00 -1.26 -2.86 117.38 109.09 3bal n GLN 84 Ca 0.02 0.47 0.05 0.00 0.00 0.00 0.00 57.00 57.54 3bal n GLN 84 Cb 0.15 -1.81 0.12 0.00 0.00 0.00 0.00 30.24 28.70 3bal n GLN 84 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3bal n GLU 85 N -2.08 0.88 -0.86 2.61 -0.58 -0.83 -4.97 120.64 114.80 3bal n GLU 85 Ca 0.01 -2.71 0.00 0.00 -0.42 0.00 0.00 57.16 54.04 3bal n GLU 85 Cb 0.15 -0.90 0.00 0.00 -0.57 0.00 0.00 31.44 30.12 3bal n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bal n GLY 86 N -0.40 0.79 0.00 0.62 0.00 -1.13 -4.80 105.19 100.26 3bal n GLY 86 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3bal n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bal n GLY 87 N -2.34 2.36 3.05 -0.02 0.00 0.24 -4.96 105.19 103.52 3bal n GLY 87 Ca 0.00 -1.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.09 3bal n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bal s SER 88 N -0.73 0.99 -0.26 1.61 0.01 -0.49 -3.81 113.70 111.02 3bal s SER 88 Ca 0.00 -0.37 -0.02 0.00 1.31 0.00 0.00 55.95 56.87 3bal s SER 88 Cb 0.00 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.22 3bal s SER 88 CO 0.00 -0.05 -0.04 -0.89 0.41 0.00 0.00 173.24 172.67 3bal s THR 89 N -0.81 2.95 -0.10 1.44 2.01 -1.26 -1.33 115.64 118.54 3bal s THR 89 Ca -0.03 -1.11 -0.12 0.00 0.31 0.00 0.00 61.69 60.73 3bal s THR 89 Cb -0.07 -2.56 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 3bal s THR 89 CO 0.00 0.11 0.29 0.00 -0.69 0.00 0.00 174.62 174.33 3bal s ALA 90 N 1.31 3.70 -0.08 7.40 0.00 0.41 -4.94 121.76 129.56 3bal s ALA 90 Ca -0.01 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.57 3bal s ALA 90 Cb -0.18 -2.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.64 3bal s ALA 90 CO -0.03 0.35 -0.20 0.71 0.00 0.00 0.00 175.76 176.58 3bal s TYR 91 N -0.40 2.58 0.25 0.00 1.51 -1.26 -1.31 117.35 118.72 3bal s TYR 91 Ca 0.19 -0.66 -0.30 0.00 -1.01 0.00 0.00 57.07 55.29 3bal s TYR 91 Cb -0.14 -1.68 -0.09 0.00 -0.11 0.00 0.00 41.96 39.94 3bal s TYR 91 CO 0.07 -0.18 1.27 0.00 -1.11 0.00 0.00 175.55 175.60 3bal s ALA 92 N -0.06 3.50 0.08 3.71 0.00 -0.82 -3.35 121.76 124.82 3bal s ALA 92 Ca -0.05 1.12 -0.18 0.00 0.00 0.00 0.00 51.96 52.85 3bal s ALA 92 Cb -0.14 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.45 3bal s ALA 92 CO 0.04 -0.51 0.56 -1.25 0.00 0.00 0.00 175.76 174.61 3bal s PRO 93 N -0.85 4.15 0.18 0.00 0.04 -1.26 -4.91 135.00 132.36 3bal s PRO 93 Ca 0.52 0.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.05 3bal s PRO 93 Cb -0.37 -3.19 0.04 0.00 0.04 0.00 0.00 34.50 31.03 3bal s PRO 93 CO 0.43 0.62 0.57 -1.54 0.04 0.00 0.00 177.00 177.11 3bal s SER 94 N -1.20 -0.38 0.23 6.66 1.04 -0.85 -5.00 113.70 114.20 3bal s SER 94 Ca 0.30 -0.29 0.11 0.00 0.48 0.00 0.00 55.95 56.55 3bal s SER 94 Cb -0.19 0.59 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 3bal s SER 94 CO 0.19 -1.04 -0.21 -0.47 0.98 0.00 0.00 173.24 172.69 3bal s TYR 95 N -3.82 2.33 -0.14 5.02 5.04 -1.26 -0.38 117.35 124.13 3bal s TYR 95 Ca 0.05 -0.34 -0.17 0.00 -2.44 0.00 0.00 57.07 54.17 3bal s TYR 95 Cb -0.01 -1.09 0.04 0.00 0.35 0.00 0.00 41.96 41.25 3bal s TYR 95 CO -0.07 0.59 0.47 0.20 -1.34 0.00 0.00 175.55 175.40 3bal s GLY 96 N -3.03 -0.34 -0.23 8.97 0.00 -0.41 -4.98 107.32 107.29 3bal s GLY 96 Ca 0.25 1.19 -0.01 0.00 0.00 0.00 0.00 44.72 46.15 3bal s GLY 96 CO 0.12 0.98 -0.10 -0.12 0.00 0.00 0.00 173.10 173.99 3bal s PHE 97 N -0.10 3.02 -0.34 1.90 5.36 -1.26 -1.32 117.98 125.24 3bal s PHE 97 Ca -0.03 -1.64 -0.04 0.00 -0.96 0.00 0.00 56.93 54.27 3bal s PHE 97 Cb -0.03 -2.01 0.06 0.00 -0.34 0.00 0.00 43.02 40.69 3bal s PHE 97 CO 0.02 -0.76 0.09 -1.21 -1.46 0.00 0.00 175.22 171.90 3bal s GLU 98 N 1.30 2.40 0.91 10.12 0.41 -0.07 -5.00 118.70 128.76 3bal s GLU 98 Ca 0.00 -1.37 -0.12 0.00 -0.41 0.00 0.00 54.97 53.07 3bal s GLU 98 Cb -0.16 -3.38 0.14 0.00 -1.78 0.00 0.00 34.13 28.95 3bal s GLU 98 CO -0.06 -0.75 1.10 -1.54 -0.49 0.00 0.00 175.26 173.52 3bal s SER 99 N 1.46 3.39 0.12 -0.19 1.04 -1.26 -0.99 113.70 117.27 3bal s SER 99 Ca -0.01 1.32 -0.33 0.00 0.48 0.00 0.00 55.95 57.41 3bal s SER 99 Cb -0.20 -1.99 -0.13 0.00 0.10 0.00 0.00 66.02 63.79 3bal s SER 99 CO -0.00 -2.67 1.68 -0.24 0.98 0.00 0.00 173.24 172.99 3bal n SER 100 N -3.89 3.39 0.00 7.02 2.88 -1.25 -1.59 113.62 120.19 3bal n SER 100 Ca 0.06 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3bal n SER 100 Cb 0.56 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 3bal n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bal n GLY 101 N 3.76 2.20 3.66 0.46 0.00 0.28 -4.96 105.19 110.58 3bal n GLY 101 Ca 0.18 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.71 3bal n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bal n ALA 102 N -1.79 0.53 -2.58 4.61 0.00 -0.62 -4.65 120.51 116.01 3bal n ALA 102 Ca 0.00 0.42 -0.39 0.00 0.00 0.00 0.00 53.44 53.47 3bal n ALA 102 Cb 0.00 -2.31 -0.10 0.00 0.00 0.00 0.00 19.45 17.05 3bal n ALA 102 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3bal s LEU 103 N 1.81 4.16 -0.64 0.00 2.96 -1.26 -1.79 118.68 123.93 3bal s LEU 103 Ca 0.85 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.80 3bal s LEU 103 Cb -0.79 -2.30 0.16 0.00 0.50 0.00 0.00 46.19 43.76 3bal s LEU 103 CO 0.46 -0.19 0.43 -1.00 -1.32 0.00 0.00 176.35 174.73 3bal s HIS 104 N 1.95 3.41 0.21 5.38 3.76 0.09 -4.62 115.29 125.48 3bal s HIS 104 Ca 0.11 -3.06 -0.08 0.00 -0.15 0.00 0.00 55.06 51.88 3bal s HIS 104 Cb -0.16 -2.96 0.16 0.00 1.11 0.00 0.00 32.58 30.73 3bal s HIS 104 CO 0.11 -0.73 1.80 0.78 -0.85 0.00 0.00 174.74 175.85 3bal h GLY 105 N 6.35 1.25 -5.00 -2.22 0.00 -1.90 -1.91 103.07 99.64 3bal h GLY 105 Ca 0.02 -0.64 -0.15 0.00 0.00 0.00 0.00 47.33 46.56 3bal h GLY 105 CO 0.72 0.60 -0.46 1.17 0.00 0.00 0.00 176.54 178.57 3bal n LYS 106 N -4.33 0.54 -1.76 4.80 4.81 -1.26 -2.99 118.16 117.97 3bal n LYS 106 Ca 0.07 -1.90 -0.42 0.00 -0.87 0.00 0.00 58.31 55.20 3bal n LYS 106 Cb 0.15 -1.35 -0.03 0.00 0.02 0.00 0.00 35.03 33.82 3bal n LYS 106 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3bal s THR 107 N 0.84 3.06 -0.02 3.15 2.01 -1.26 -4.85 115.64 118.57 3bal s THR 107 Ca 0.30 0.19 0.06 0.00 0.31 0.00 0.00 61.69 62.55 3bal s THR 107 Cb 0.04 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 3bal s THR 107 CO -0.08 -0.01 -0.21 0.12 -0.69 0.00 0.00 174.62 173.75 3bal s PHE 108 N 4.03 2.49 -0.38 4.92 5.36 -0.83 -2.31 117.98 131.27 3bal s PHE 108 Ca 0.84 -0.31 -0.00 0.00 -0.96 0.00 0.00 56.93 56.49 3bal s PHE 108 Cb -0.41 -1.54 0.10 0.00 -0.34 0.00 0.00 43.02 40.83 3bal s PHE 108 CO 0.38 0.08 0.13 -0.06 -1.46 0.00 0.00 175.22 174.29 3bal s PHE 109 N -0.69 3.64 0.28 10.12 0.40 -0.63 -0.48 117.98 130.62 3bal s PHE 109 Ca 0.11 -2.63 0.36 0.00 -0.60 0.00 0.00 56.93 54.17 3bal s PHE 109 Cb -0.10 -3.05 1.65 0.00 0.51 0.00 0.00 43.02 42.02 3bal s PHE 109 CO 0.00 -0.96 2.09 -1.35 0.70 0.00 0.00 175.22 175.71 3bal h PRO 110 N 7.87 0.00 -4.52 0.24 0.11 -1.87 0.75 132.00 134.58 3bal h PRO 110 Ca -0.10 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.80 3bal h PRO 110 Cb 1.04 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 31.98 3bal h PRO 110 CO 0.62 0.02 -0.70 0.08 -0.21 0.00 0.00 178.00 177.80 3bal s VAL 111 N -3.83 0.54 0.12 3.15 1.01 -1.26 -4.12 120.40 116.02 3bal s VAL 111 Ca -0.01 -1.64 -0.33 0.00 0.00 0.00 0.00 61.98 60.00 3bal s VAL 111 Cb 0.10 -1.31 -0.13 0.00 0.00 0.00 0.00 36.38 35.05 3bal s VAL 111 CO 0.51 -0.75 1.68 1.21 0.00 0.00 0.00 175.10 177.75 3bal n GLU 112 N 0.45 2.32 -4.38 2.72 2.13 -1.26 -4.29 120.64 118.33 3bal n GLU 112 Ca -0.16 0.84 -0.22 0.00 0.66 0.00 0.00 57.16 58.28 3bal n GLU 112 Cb 0.59 -2.65 -0.08 0.00 0.27 0.00 0.00 31.44 29.57 3bal n GLU 112 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3bal s SER 113 N 1.68 2.13 -0.21 4.31 0.01 0.10 -3.79 113.70 117.92 3bal s SER 113 Ca 0.81 -1.73 -0.18 0.00 1.31 0.00 0.00 55.95 56.16 3bal s SER 113 Cb -0.63 0.55 0.06 0.00 0.21 0.00 0.00 66.02 66.21 3bal s SER 113 CO 0.39 -1.01 0.56 -1.58 0.41 0.00 0.00 173.24 172.01 3bal s GLN 114 N -3.57 0.64 -0.07 12.44 0.74 -0.45 -0.88 119.66 128.50 3bal s GLN 114 Ca 0.33 0.83 -0.17 0.00 0.05 0.00 0.00 55.36 56.40 3bal s GLN 114 Cb 0.02 0.27 0.04 0.00 1.10 0.00 0.00 33.01 34.44 3bal s GLN 114 CO 0.22 -0.09 0.41 -0.59 -0.55 0.00 0.00 175.29 174.69 3bal s PHE 115 N 0.53 -0.36 -0.05 1.67 -0.12 -0.78 -1.74 117.98 117.13 3bal s PHE 115 Ca -0.02 0.73 -0.02 0.00 -0.05 0.00 0.00 56.93 57.57 3bal s PHE 115 Cb -0.04 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 3bal s PHE 115 CO -0.03 -0.36 0.05 -0.47 -0.05 0.00 0.00 175.22 174.36 3bal s TYR 116 N -0.73 3.26 -0.13 3.49 5.04 -0.61 -0.74 117.35 126.93 3bal s TYR 116 Ca -0.08 0.24 -0.16 0.00 -2.44 0.00 0.00 57.07 54.63 3bal s TYR 116 Cb -0.04 -1.78 0.04 0.00 0.35 0.00 0.00 41.96 40.54 3bal s TYR 116 CO 0.04 0.54 0.42 1.41 -1.34 0.00 0.00 175.55 176.62 3bal s MET 117 N -1.30 0.56 -0.09 4.97 1.75 -0.44 -0.66 119.30 124.09 3bal s MET 117 Ca 0.18 0.43 0.01 0.00 -1.25 0.00 0.00 55.69 55.06 3bal s MET 117 Cb -0.12 0.27 -0.02 0.00 2.84 0.00 0.00 34.83 37.80 3bal s MET 117 CO 0.08 -0.10 -0.11 0.95 -0.65 0.00 0.00 175.02 175.19 3bal s THR 118 N -0.13 3.29 -0.02 10.11 -4.23 -0.64 -1.70 115.64 122.32 3bal s THR 118 Ca -0.03 -0.61 0.06 0.00 -1.18 0.00 0.00 61.69 59.93 3bal s THR 118 Cb -0.03 -2.35 -0.01 0.00 1.34 0.00 0.00 72.50 71.45 3bal s THR 118 CO 0.02 0.56 -0.20 -0.36 -0.54 0.00 0.00 174.62 174.10 3bal s PHE 119 N -0.32 1.81 -0.31 3.99 0.40 0.11 -1.66 117.98 122.00 3bal s PHE 119 Ca 0.03 -0.36 -0.06 0.00 -0.60 0.00 0.00 56.93 55.94 3bal s PHE 119 Cb -0.13 -1.17 0.02 0.00 0.51 0.00 0.00 43.02 42.26 3bal s PHE 119 CO 0.02 -0.05 0.07 -1.17 0.70 0.00 0.00 175.22 174.80 3bal s LEU 120 N -0.42 3.94 0.00 -0.37 2.96 -0.77 -0.75 118.68 123.27 3bal s LEU 120 Ca 0.06 -0.90 0.00 0.00 -0.22 0.00 0.00 54.13 53.08 3bal s LEU 120 Cb -0.08 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.76 3bal s LEU 120 CO -0.00 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.40 3bal n GLY 121 N 4.82 -2.45 3.94 7.98 0.00 -0.48 -3.22 105.19 115.79 3bal n GLY 121 Ca -0.14 -1.72 -0.24 0.00 0.00 0.00 0.00 46.02 43.92 3bal n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bal s PRO 122 N -0.43 2.60 -0.22 1.61 0.04 -1.26 -4.71 135.00 132.63 3bal s PRO 122 Ca 0.00 -0.41 -0.03 0.00 0.04 0.00 0.00 61.00 60.60 3bal s PRO 122 Cb 0.00 -2.35 -0.00 0.00 0.04 0.00 0.00 34.50 32.18 3bal s PRO 122 CO 0.00 -0.80 -0.06 -0.51 0.04 0.00 0.00 177.00 175.67 3bal s LEU 123 N -4.93 2.84 -0.54 -3.56 1.43 -0.10 -1.92 118.68 111.89 3bal s LEU 123 Ca 0.56 -0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 53.04 3bal s LEU 123 Cb -0.10 -1.72 0.07 0.00 0.03 0.00 0.00 46.19 44.47 3bal s LEU 123 CO 0.42 -0.02 0.68 0.20 0.23 0.00 0.00 176.35 177.85 3bal s ASN 124 N 1.46 6.21 0.00 2.29 0.01 0.04 -0.50 114.94 124.45 3bal s ASN 124 Ca 0.06 -1.07 -0.30 0.00 -0.71 0.00 0.00 52.86 50.84 3bal s ASN 124 Cb -0.14 -2.31 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 3bal s ASN 124 CO -0.04 -1.00 1.09 -0.36 -1.51 0.00 0.00 177.10 175.27 3bal s PHE 125 N 2.76 3.50 0.21 2.20 0.40 0.28 -1.11 117.98 126.23 3bal s PHE 125 Ca 0.15 1.48 0.11 0.00 -0.60 0.00 0.00 56.93 58.07 3bal s PHE 125 Cb -0.20 -3.27 -0.04 0.00 0.51 0.00 0.00 43.02 40.01 3bal s PHE 125 CO 0.10 -0.65 -0.17 0.96 0.70 0.00 0.00 175.22 176.17 3bal s ILE 126 N 1.31 2.73 0.38 0.64 -4.36 -0.68 -0.58 121.20 120.65 3bal s ILE 126 Ca 0.54 -1.99 -0.04 0.00 -0.26 0.00 0.00 60.65 58.91 3bal s ILE 126 Cb -0.24 -2.37 0.08 0.00 1.25 0.00 0.00 42.46 41.19 3bal s ILE 126 CO 0.26 -0.20 0.52 -0.90 0.24 0.00 0.00 174.94 174.86 3bal n ASP 127 N -0.10 0.32 0.11 4.36 5.68 -0.46 -4.59 116.55 121.87 3bal n ASP 127 Ca -0.10 -1.36 0.10 0.00 -0.50 0.00 0.00 54.79 52.94 3bal n ASP 127 Cb 0.57 -0.37 0.45 0.00 -1.14 0.00 0.00 41.12 40.63 3bal n ASP 127 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3bal n ASP 128 N -3.18 0.49 -1.00 -1.12 8.00 -1.26 -1.31 116.55 117.18 3bal n ASP 128 Ca 0.07 0.64 0.12 0.00 0.71 0.00 0.00 54.79 56.34 3bal n ASP 128 Cb 0.26 -0.74 0.18 0.00 -0.02 0.00 0.00 41.12 40.80 3bal n ASP 128 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3bal n ASN 129 N -2.07 3.07 0.00 -2.24 5.03 -1.26 -4.95 115.26 112.84 3bal n ASN 129 Ca 0.02 -1.96 0.00 0.00 0.87 0.00 0.00 54.58 53.50 3bal n ASN 129 Cb 0.17 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 3bal n ASN 129 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bal n GLY 130 N 1.40 0.64 3.73 7.41 0.00 -0.43 -5.04 105.19 112.91 3bal n GLY 130 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3bal n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bal s LYS 131 N -0.23 4.56 -0.05 1.61 2.20 -1.26 -4.73 119.74 121.84 3bal s LYS 131 Ca 0.00 1.22 -0.30 0.00 -0.36 0.00 0.00 55.97 56.53 3bal s LYS 131 Cb 0.00 -3.39 -0.06 0.00 -1.51 0.00 0.00 37.83 32.87 3bal s LYS 131 CO 0.00 0.19 1.73 0.08 -0.36 0.00 0.00 175.35 176.99 3bal s VAL 132 N 0.20 3.46 -0.31 4.02 1.01 -1.26 -1.35 120.40 126.18 3bal s VAL 132 Ca 0.43 0.56 0.19 0.00 0.00 0.00 0.00 61.98 63.16 3bal s VAL 132 Cb -0.21 -3.37 -0.27 0.00 0.00 0.00 0.00 36.38 32.53 3bal s VAL 132 CO 0.25 -0.06 0.55 2.30 0.00 0.00 0.00 175.10 178.14 3bal n ILE 133 N 5.60 0.00 -3.64 2.22 -5.35 0.26 -4.95 119.36 113.50 3bal n ILE 133 Ca 0.18 -0.32 -0.03 0.00 -0.27 0.00 0.00 62.75 62.32 3bal n ILE 133 Cb 0.43 0.37 -0.07 0.00 -1.74 0.00 0.00 39.64 38.63 3bal n ILE 133 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bal s ALA 134 N -3.15 -2.25 -0.44 -1.28 0.00 -1.12 -5.02 121.76 108.51 3bal s ALA 134 Ca -0.02 2.22 -0.10 0.00 0.00 0.00 0.00 51.96 54.06 3bal s ALA 134 Cb 0.13 -1.69 0.09 0.00 0.00 0.00 0.00 23.12 21.65 3bal s ALA 134 CO 0.79 -0.36 0.30 0.45 0.00 0.00 0.00 175.76 176.95 3bal s SER 135 N 1.38 5.74 -0.46 0.00 0.15 -1.26 -0.56 113.70 118.68 3bal s SER 135 Ca -0.09 -1.56 -0.16 0.00 0.70 0.00 0.00 55.95 54.83 3bal s SER 135 Cb -0.04 -2.03 0.05 0.00 -1.71 0.00 0.00 66.02 62.30 3bal s SER 135 CO -0.15 -0.59 0.44 -0.63 1.20 0.00 0.00 173.24 173.50 3bal s ILE 136 N 1.45 5.14 0.00 6.45 -1.09 0.34 -4.86 121.20 128.63 3bal s ILE 136 Ca 0.04 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.69 3bal s ILE 136 Cb -0.24 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.52 3bal s ILE 136 CO 0.02 -0.56 0.00 0.61 -1.23 0.00 0.00 174.94 173.78 3bal n GLY 137 N 5.18 4.30 0.36 6.18 0.00 -1.26 -0.93 105.19 119.02 3bal n GLY 137 Ca -0.10 -2.13 0.08 0.00 0.00 0.00 0.00 46.02 43.88 3bal n GLY 137 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3bal h TRP 138 N 0.40 1.13 -0.06 1.61 5.08 -1.84 0.27 115.95 122.54 3bal h TRP 138 Ca 0.00 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.99 3bal h TRP 138 Cb 0.00 -0.35 -0.00 0.00 -3.00 0.00 0.00 29.16 25.80 3bal h TRP 138 CO 0.00 0.40 0.00 0.00 -1.28 0.00 0.00 178.44 177.56 3bal h ALA 139 N 1.56 0.08 -0.78 0.11 0.00 -1.97 -0.35 119.26 117.92 3bal h ALA 139 Ca 0.52 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 3bal h ALA 139 Cb 0.59 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3bal h ALA 139 CO -0.29 -0.25 0.28 0.93 0.00 0.00 0.00 179.25 179.93 3bal h GLU 140 N -0.18 1.18 -0.39 0.00 3.07 -1.80 -0.43 114.58 116.03 3bal h GLU 140 Ca 0.02 -0.23 -0.03 0.00 -0.50 0.00 0.00 59.36 58.62 3bal h GLU 140 Cb 0.33 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 3bal h GLU 140 CO 0.00 0.97 0.12 0.00 -1.40 0.00 0.00 179.01 178.71 3bal h ALA 141 N 1.16 0.50 -0.26 3.43 0.00 -0.89 -1.56 119.26 121.65 3bal h ALA 141 Ca 0.26 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3bal h ALA 141 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3bal h ALA 141 CO -0.02 0.15 -0.11 0.37 0.00 0.00 0.00 179.25 179.64 3bal h GLN 142 N 0.48 0.42 -0.33 0.00 4.15 -0.80 -0.67 115.11 118.36 3bal h GLN 142 Ca 0.12 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 3bal h GLN 142 Cb 0.25 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 3bal h GLN 142 CO -0.00 0.54 0.05 0.78 -1.93 0.00 0.00 178.83 178.26 3bal h GLY 143 N 0.87 0.59 1.40 2.39 0.00 -0.68 -1.00 103.07 106.64 3bal h GLY 143 Ca 0.08 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 3bal h GLY 143 CO 0.02 0.37 -0.19 0.00 0.00 0.00 0.00 176.54 176.75 3bal h ALA 144 N 0.89 0.98 0.14 3.60 0.00 -1.02 -2.40 119.26 121.45 3bal h ALA 144 Ca 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3bal h ALA 144 Cb 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3bal h ALA 144 CO 0.01 0.60 -0.07 2.35 0.00 0.00 0.00 179.25 182.14 3bal h TRP 145 N 0.62 -0.18 0.00 0.00 2.91 -1.00 -2.80 115.95 115.50 3bal h TRP 145 Ca 0.10 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.11 3bal h TRP 145 Cb 0.66 0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.37 3bal h TRP 145 CO 0.03 0.11 -0.01 -0.07 -1.03 0.00 0.00 178.44 177.48 3bal h LEU 146 N -0.47 0.00 0.00 0.65 3.38 -1.17 -0.42 115.31 117.29 3bal h LEU 146 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3bal h LEU 146 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3bal h LEU 146 CO 0.03 0.01 -0.45 0.00 0.09 0.00 0.00 178.44 178.12 3bal h ALA 147 N 1.99 0.77 0.00 1.53 0.00 -1.33 -3.35 119.26 118.88 3bal h ALA 147 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3bal h ALA 147 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3bal h ALA 147 CO 0.00 0.00 -1.92 2.41 0.00 0.00 0.00 179.25 179.74 3bal n THR 148 N -2.86 0.61 -0.96 0.00 -1.04 -0.95 -5.10 114.28 103.98 3bal n THR 148 Ca 0.02 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 3bal n THR 148 Cb 0.53 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.75 3bal n THR 148 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60