#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 4.20 0.27 7.83 1.01 -1.26 -5.10 116.67 123.63 3bal s ASP 2 Ca 0.00 -1.46 -0.29 0.00 0.71 0.00 0.00 52.55 51.50 3bal s ASP 2 Cb 0.00 0.21 -0.14 0.00 1.01 0.00 0.00 42.92 44.00 3bal s ASP 2 CO 0.00 -0.78 1.18 0.00 0.21 0.00 0.00 175.17 175.78 3bal n TYR 3 N -1.29 1.70 -3.50 4.23 9.36 -1.26 -4.95 117.16 121.45 3bal n TYR 3 Ca -0.11 0.61 -0.39 0.00 3.32 0.00 0.00 57.90 61.32 3bal n TYR 3 Cb 0.66 -2.34 -0.10 0.00 -0.63 0.00 0.00 39.34 36.93 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 1.72 6.36 0.15 0.00 0.01 -1.26 -5.03 114.94 116.89 3bal s ASN 5 Ca 0.09 2.57 0.07 0.00 -0.71 0.00 0.00 52.86 54.88 3bal s ASN 5 Cb -0.16 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.82 3bal s ASN 5 CO 0.11 -0.80 -0.15 -0.54 -1.51 0.00 0.00 177.10 174.20 3bal s LYS 6 N -2.25 1.14 0.22 -0.60 -0.14 -1.26 -5.16 119.74 111.69 3bal s LYS 6 Ca 0.57 -1.35 0.08 0.00 -1.36 0.00 0.00 55.97 53.91 3bal s LYS 6 Cb -0.36 -1.04 -0.05 0.00 -1.68 0.00 0.00 37.83 34.70 3bal s LYS 6 CO 0.46 0.20 -0.15 -1.59 -0.76 0.00 0.00 175.35 173.51 3bal s LYS 7 N -2.91 1.39 0.18 1.68 -2.85 -1.26 -5.10 119.74 110.88 3bal s LYS 7 Ca 0.13 -1.63 -0.33 0.00 -1.00 0.00 0.00 55.97 53.15 3bal s LYS 7 Cb -0.04 -1.21 -0.15 0.00 -2.06 0.00 0.00 37.83 34.37 3bal s LYS 7 CO 0.04 0.19 1.24 1.58 0.10 0.00 0.00 175.35 178.50 3bal n HIS 8 N -0.43 1.53 -2.48 1.78 -0.00 -1.26 -4.93 115.22 109.43 3bal n HIS 8 Ca -0.07 0.61 -0.41 0.00 -0.00 0.00 0.00 57.72 57.85 3bal n HIS 8 Cb 0.61 -2.33 -0.04 0.00 -0.00 0.00 0.00 29.99 28.23 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 -0.11 3.67 0.18 3.57 2.01 -1.26 -4.99 115.64 118.72 3bal s THR 9 Ca 0.73 1.53 -0.31 0.00 0.31 0.00 0.00 61.69 63.95 3bal s THR 9 Cb -0.80 -3.98 -0.09 0.00 0.01 0.00 0.00 72.50 67.64 3bal s THR 9 CO 0.51 0.30 1.45 0.00 -0.69 0.00 0.00 174.62 176.19 3bal s ALA 10 N -0.60 3.65 0.79 7.40 0.00 -1.26 -5.01 121.76 126.73 3bal s ALA 10 Ca 0.48 1.26 -0.10 0.00 0.00 0.00 0.00 51.96 53.59 3bal s ALA 10 Cb -0.31 -3.56 0.07 0.00 0.00 0.00 0.00 23.12 19.32 3bal s ALA 10 CO 0.38 -0.69 1.10 -1.21 0.00 0.00 0.00 175.76 175.33 3bal s GLU 11 N 0.49 2.12 0.03 0.00 8.01 -1.26 -5.06 118.70 123.03 3bal s GLU 11 Ca 0.64 1.20 0.02 0.00 0.01 0.00 0.00 54.97 56.83 3bal s GLU 11 Cb -0.40 -1.88 -0.02 0.00 -4.31 0.00 0.00 34.13 27.52 3bal s GLU 11 CO 0.36 -1.75 -0.06 -1.21 0.01 0.00 0.00 175.26 172.61 3bal s GLU 12 N -4.88 0.44 -0.05 1.61 2.02 -1.26 -5.14 118.70 111.44 3bal s GLU 12 Ca 0.62 -0.61 0.01 0.00 0.02 0.00 0.00 54.97 55.00 3bal s GLU 12 Cb -0.18 -0.21 0.02 0.00 0.10 0.00 0.00 34.13 33.87 3bal s GLU 12 CO 0.56 0.03 -0.03 -0.47 0.02 0.00 0.00 175.26 175.37 3bal s TYR 13 N -1.16 0.68 -0.10 1.61 5.04 -1.26 -5.14 117.35 117.03 3bal s TYR 13 Ca -0.09 -0.18 -0.00 0.00 -2.44 0.00 0.00 57.07 54.36 3bal s TYR 13 Cb -0.08 -0.65 0.02 0.00 0.35 0.00 0.00 41.96 41.60 3bal s TYR 13 CO 0.00 -0.20 -0.06 0.08 -1.34 0.00 0.00 175.55 174.03 3bal s VAL 14 N 1.05 0.87 -0.06 3.14 1.01 -1.26 -5.11 120.40 120.04 3bal s VAL 14 Ca -0.09 -0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 3bal s VAL 14 Cb -0.14 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3bal s VAL 14 CO -0.01 0.34 0.88 -0.75 0.00 0.00 0.00 175.10 175.56 3bal s LYS 15 N 1.68 4.46 -0.64 2.72 2.47 -1.26 -4.99 119.74 124.19 3bal s LYS 15 Ca 0.03 1.20 -0.22 0.00 -1.56 0.00 0.00 55.97 55.43 3bal s LYS 15 Cb -0.13 -3.49 0.08 0.00 -1.46 0.00 0.00 37.83 32.83 3bal s LYS 15 CO -0.07 -0.10 0.89 0.42 0.16 0.00 0.00 175.35 176.65 3bal s ILE 16 N 1.29 4.46 0.07 5.43 1.01 -1.26 -5.02 121.20 127.18 3bal s ILE 16 Ca 0.45 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.64 3bal s ILE 16 Cb -0.19 -4.63 -0.04 0.00 0.01 0.00 0.00 42.46 37.62 3bal s ILE 16 CO 0.21 -1.36 -0.03 -0.55 0.00 0.00 0.00 174.94 173.22 3bal s SER 17 N 3.63 4.88 0.39 3.58 0.15 -1.26 -5.00 113.70 120.07 3bal s SER 17 Ca 0.19 -0.18 0.28 0.00 0.70 0.00 0.00 55.95 56.94 3bal s SER 17 Cb -0.19 -1.14 1.31 0.00 -1.71 0.00 0.00 66.02 64.29 3bal s SER 17 CO 0.09 0.21 1.84 0.44 1.20 0.00 0.00 173.24 177.02 3bal h ASP 18 N 3.76 0.00 0.33 5.45 3.32 -1.99 -2.21 116.42 125.08 3bal h ASP 18 Ca -0.48 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 3bal h ASP 18 Cb 1.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 3bal h ASP 18 CO 0.57 0.00 -0.10 0.78 -1.72 0.00 0.00 179.24 178.77 3bal h ASN 19 N 0.00 0.00 0.29 6.45 4.21 -2.00 -3.05 115.58 121.48 3bal h ASN 19 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3bal h ASN 19 Cb 0.24 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 3bal h ASN 19 CO 0.00 0.10 -0.55 0.59 -1.29 0.00 0.00 177.43 176.28 3bal n ASN 20 N -3.66 0.87 -4.70 5.81 4.13 -0.83 -4.91 115.26 111.96 3bal n ASN 20 Ca -0.02 -0.67 -0.42 0.00 1.68 0.00 0.00 54.58 55.15 3bal n ASN 20 Cb 0.22 0.40 -0.03 0.00 -1.54 0.00 0.00 39.78 38.83 3bal n ASN 20 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3bal s TYR 21 N -2.84 3.22 0.25 3.10 1.51 -1.15 -4.71 117.35 116.73 3bal s TYR 21 Ca 0.14 1.13 0.06 0.00 -1.01 0.00 0.00 57.07 57.40 3bal s TYR 21 Cb 0.18 -3.50 -0.05 0.00 -0.11 0.00 0.00 41.96 38.47 3bal s TYR 21 CO 0.68 -1.66 -0.07 0.14 -1.11 0.00 0.00 175.55 173.54 3bal s VAL 22 N 1.69 1.55 0.22 0.71 -7.23 -0.73 -4.84 120.40 111.77 3bal s VAL 22 Ca 0.60 -2.13 -0.31 0.00 -1.81 0.00 0.00 61.98 58.32 3bal s VAL 22 Cb -0.29 -2.31 -0.11 0.00 0.56 0.00 0.00 36.38 34.22 3bal s VAL 22 CO 0.27 -0.39 1.65 -2.84 -0.31 0.00 0.00 175.10 173.47 3bal s PRO 23 N -3.73 4.15 0.31 4.82 0.02 -1.26 -0.88 135.00 138.43 3bal s PRO 23 Ca 0.27 2.53 -0.27 0.00 0.02 0.00 0.00 61.00 63.55 3bal s PRO 23 Cb 0.03 -3.08 -0.09 0.00 0.02 0.00 0.00 34.50 31.37 3bal s PRO 23 CO 0.10 -0.68 1.00 0.12 -0.33 0.00 0.00 177.00 177.21 3bal s PHE 24 N 0.89 3.65 -0.03 6.54 5.36 0.11 -4.85 117.98 129.65 3bal s PHE 24 Ca 0.71 1.77 -0.38 0.00 -0.96 0.00 0.00 56.93 58.07 3bal s PHE 24 Cb -0.48 -3.07 -0.16 0.00 -0.34 0.00 0.00 43.02 38.97 3bal s PHE 24 CO 0.35 -0.10 1.46 -0.35 -1.46 0.00 0.00 175.22 175.13 3bal n PRO 25 N 0.81 1.12 0.23 10.12 -0.04 -1.26 -4.84 135.00 141.14 3bal n PRO 25 Ca 0.01 0.41 0.16 0.00 -0.04 0.00 0.00 63.50 64.03 3bal n PRO 25 Cb 0.48 -2.06 0.73 0.00 -0.04 0.00 0.00 33.50 32.61 3bal n PRO 25 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3bal h GLU 26 N 5.35 0.00 0.00 0.54 4.11 -1.92 -2.43 114.58 120.22 3bal h GLU 26 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3bal h GLU 26 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3bal h GLU 26 CO 0.83 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.91 3bal n ALA 27 N -1.94 2.01 -1.00 1.06 0.00 -1.26 -3.36 120.51 116.01 3bal n ALA 27 Ca -0.00 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.46 3bal n ALA 27 Cb 0.18 -1.40 0.07 0.00 0.00 0.00 0.00 19.45 18.30 3bal n ALA 27 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3bal n PHE 28 N -1.88 0.00 -3.59 0.00 3.01 -0.92 -4.92 117.46 109.16 3bal n PHE 28 Ca 0.05 -0.58 -0.08 0.00 1.01 0.00 0.00 57.45 57.84 3bal n PHE 28 Cb 0.30 -0.09 -0.02 0.00 -0.01 0.00 0.00 39.48 39.66 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 -1.78 -0.36 -0.00 4.37 1.04 -1.20 -1.21 113.70 114.55 3bal s SER 29 Ca 0.15 -0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.45 3bal s SER 29 Cb 0.13 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 3bal s SER 29 CO 0.01 -0.87 -0.15 -0.62 0.98 0.00 0.00 173.24 172.60 3bal s ASP 30 N -2.71 1.71 0.00 7.02 3.68 0.05 -4.67 116.67 121.75 3bal s ASP 30 Ca 0.06 -0.29 0.00 0.00 2.13 0.00 0.00 52.55 54.45 3bal s ASP 30 Cb -0.02 -0.18 0.00 0.00 -1.45 0.00 0.00 42.92 41.27 3bal s ASP 30 CO -0.05 0.16 0.00 0.61 0.13 0.00 0.00 175.17 176.01 3bal n GLY 31 N 2.59 0.70 2.41 2.66 0.00 -1.26 -1.05 105.19 111.24 3bal n GLY 31 Ca -0.15 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 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 1.00 4.81 3.72 -0.02 0.00 -1.26 -4.94 105.19 108.50 3bal n GLY 32 Ca 0.00 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 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 0.25 3.83 0.26 -0.61 1.01 -1.26 -4.42 121.20 120.26 3bal s ILE 33 Ca 0.61 1.34 0.11 0.00 0.00 0.00 0.00 60.65 62.71 3bal s ILE 33 Cb 0.18 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 3bal s ILE 33 CO -0.08 0.12 -0.13 0.42 0.00 0.00 0.00 174.94 175.27 3bal s THR 34 N 0.92 2.85 0.34 2.92 -4.23 -0.65 -0.71 115.64 117.09 3bal s THR 34 Ca 0.59 -2.13 -0.14 0.00 -1.18 0.00 0.00 61.69 58.83 3bal s THR 34 Cb -0.31 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.07 3bal s THR 34 CO 0.30 -0.33 0.69 -1.66 -0.54 0.00 0.00 174.62 173.09 3bal s TRP 35 N -2.27 0.22 -0.09 3.99 1.48 -0.06 -1.28 118.94 120.93 3bal s TRP 35 Ca 0.29 -0.75 -0.04 0.00 -1.06 0.00 0.00 56.10 54.53 3bal s TRP 35 Cb -0.06 0.60 0.04 0.00 -1.16 0.00 0.00 33.47 32.89 3bal s TRP 35 CO 0.16 -1.37 0.21 -0.65 -4.06 0.00 0.00 176.95 171.24 3bal s GLN 36 N -2.97 0.16 0.01 3.25 -0.21 -0.60 -1.77 119.66 117.54 3bal s GLN 36 Ca 0.18 0.49 -0.24 0.00 0.02 0.00 0.00 55.36 55.81 3bal s GLN 36 Cb -0.04 -0.14 -0.05 0.00 1.00 0.00 0.00 33.01 33.78 3bal s GLN 36 CO 0.12 -0.17 0.72 -1.17 -2.12 0.00 0.00 175.29 172.66 3bal s LEU 37 N 1.31 4.42 -0.15 2.90 2.96 -1.26 -1.63 118.68 127.23 3bal s LEU 37 Ca -0.09 1.33 0.05 0.00 -0.22 0.00 0.00 54.13 55.21 3bal s LEU 37 Cb -0.11 -3.14 -0.12 0.00 0.50 0.00 0.00 46.19 43.32 3bal s LEU 37 CO -0.08 0.01 -0.07 0.18 -1.32 0.00 0.00 176.35 175.07 3bal n LEU 38 N 2.99 1.88 -3.59 -0.68 4.77 0.16 -4.97 117.00 117.56 3bal n LEU 38 Ca -0.03 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.75 3bal n LEU 38 Cb 0.51 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 3bal n LEU 38 CO 0.46 0.60 0.52 -2.28 -1.33 0.00 0.00 177.39 175.36 3bal s HIS 39 N -2.31 -0.65 -0.07 -1.77 5.04 -0.98 -4.96 115.29 109.59 3bal s HIS 39 Ca -0.16 1.42 0.02 0.00 -1.54 0.00 0.00 55.06 54.80 3bal s HIS 39 Cb 0.05 0.35 0.01 0.00 0.04 0.00 0.00 32.58 33.03 3bal s HIS 39 CO 0.42 -0.42 -0.13 -1.12 -2.34 0.00 0.00 174.74 171.14 3bal s SER 40 N -0.29 1.87 -0.54 9.88 0.01 -1.26 -0.41 113.70 122.96 3bal s SER 40 Ca -0.03 -0.32 -0.04 0.00 1.31 0.00 0.00 55.95 56.87 3bal s SER 40 Cb -0.03 -0.85 0.14 0.00 0.21 0.00 0.00 66.02 65.49 3bal s SER 40 CO 0.03 0.05 0.36 -0.44 0.41 0.00 0.00 173.24 173.65 3bal s SER 41 N 0.60 5.36 0.57 2.44 0.01 0.68 -4.95 113.70 118.41 3bal s SER 41 Ca -0.14 -2.46 0.31 0.00 1.31 0.00 0.00 55.95 54.96 3bal s SER 41 Cb -0.16 -1.88 1.70 0.00 0.21 0.00 0.00 66.02 65.90 3bal s SER 41 CO 0.04 -0.47 2.17 1.55 0.41 0.00 0.00 173.24 176.94 3bal h PRO 42 N 7.57 0.00 0.09 12.44 0.13 -1.95 0.32 132.00 150.59 3bal h PRO 42 Ca -0.07 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.88 3bal h PRO 42 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3bal h PRO 42 CO 0.73 0.06 -0.87 1.49 -0.23 0.00 0.00 178.00 179.17 3bal h GLU 43 N 0.00 0.18 0.05 0.86 4.81 -1.95 -3.37 114.58 115.16 3bal h GLU 43 Ca -0.00 -0.31 -0.23 0.00 -0.13 0.00 0.00 59.36 58.68 3bal h GLU 43 Cb 0.19 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3bal h GLU 43 CO 0.01 1.15 -1.04 1.15 -0.73 0.00 0.00 179.01 179.55 3bal h THR 44 N -0.56 1.54 0.00 0.32 2.02 -1.95 -3.48 112.91 110.80 3bal h THR 44 Ca -0.18 -2.93 0.00 0.00 0.77 0.00 0.00 66.41 64.06 3bal h THR 44 Cb 1.50 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 70.63 3bal h THR 44 CO 0.05 0.85 0.00 -0.24 0.37 0.00 0.00 175.52 176.55 3bal n SER 45 N -3.56 -0.41 -4.93 4.18 2.88 0.11 -4.84 113.62 107.05 3bal n SER 45 Ca -0.05 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.23 3bal n SER 45 Cb 0.92 -0.07 -0.02 0.00 -0.75 0.00 0.00 64.21 64.29 3bal n SER 45 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3bal s SER 46 N -2.57 6.35 0.09 -3.46 1.04 -1.18 -2.07 113.70 111.90 3bal s SER 46 Ca 0.00 0.56 -0.15 0.00 0.48 0.00 0.00 55.95 56.84 3bal s SER 46 Cb 0.00 -2.08 0.03 0.00 0.10 0.00 0.00 66.02 64.07 3bal s SER 46 CO 0.00 -0.25 0.35 -1.66 0.98 0.00 0.00 173.24 172.66 3bal s TRP 47 N -2.22 -0.14 0.01 5.02 1.48 0.11 -0.23 118.94 122.97 3bal s TRP 47 Ca 0.41 -0.13 0.02 0.00 -1.06 0.00 0.00 56.10 55.34 3bal s TRP 47 Cb -0.10 0.17 -0.01 0.00 -1.16 0.00 0.00 33.47 32.37 3bal s TRP 47 CO 0.34 -0.62 -0.06 0.99 -4.06 0.00 0.00 176.95 173.54 3bal s THR 48 N -3.42 0.43 0.29 0.66 2.01 0.45 -0.11 115.64 115.96 3bal s THR 48 Ca 0.01 -0.50 -0.14 0.00 0.31 0.00 0.00 61.69 61.37 3bal s THR 48 Cb 0.02 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 72.12 3bal s THR 48 CO -0.09 -0.06 0.59 0.00 -0.69 0.00 0.00 174.62 174.38 3bal s ALA 49 N -0.54 -0.47 0.01 7.40 0.00 -0.84 -0.66 121.76 126.66 3bal s ALA 49 Ca -0.02 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.19 3bal s ALA 49 Cb -0.05 0.96 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 3bal s ALA 49 CO -0.00 -0.92 -0.09 -1.50 0.00 0.00 0.00 175.76 173.25 3bal s ILE 50 N -3.60 0.66 0.03 0.00 2.07 -0.65 -1.47 121.20 118.24 3bal s ILE 50 Ca 0.19 -0.58 0.05 0.00 -1.41 0.00 0.00 60.65 58.90 3bal s ILE 50 Cb -0.03 -0.60 -0.02 0.00 0.13 0.00 0.00 42.46 41.94 3bal s ILE 50 CO 0.10 0.03 -0.15 -0.36 -1.91 0.00 0.00 174.94 172.65 3bal s PHE 51 N -0.52 1.32 -0.23 3.50 0.40 -0.13 -1.56 117.98 120.76 3bal s PHE 51 Ca 0.00 -0.33 -0.03 0.00 -0.60 0.00 0.00 56.93 55.97 3bal s PHE 51 Cb -0.05 -0.80 0.01 0.00 0.51 0.00 0.00 43.02 42.69 3bal s PHE 51 CO 0.00 0.03 -0.06 -0.80 0.70 0.00 0.00 175.22 175.09 3bal s ASN 52 N -0.96 4.23 -0.18 1.36 0.01 -0.40 -2.13 114.94 116.86 3bal s ASN 52 Ca 0.03 -0.61 0.00 0.00 -0.71 0.00 0.00 52.86 51.58 3bal s ASN 52 Cb -0.07 -1.69 0.01 0.00 0.41 0.00 0.00 41.25 39.90 3bal s ASN 52 CO 0.01 -0.07 -0.16 0.00 -1.51 0.00 0.00 177.10 175.37 3bal s PRO 54 N 1.23 2.02 0.31 0.00 0.02 -1.26 -0.77 135.00 136.54 3bal s PRO 54 Ca 0.03 1.49 -0.30 0.00 0.02 0.00 0.00 61.00 62.24 3bal s PRO 54 Cb -0.14 -1.85 -0.12 0.00 0.02 0.00 0.00 34.50 32.42 3bal s PRO 54 CO -0.08 -1.87 1.58 0.00 -0.33 0.00 0.00 177.00 176.30 3bal n ALA 55 N -3.23 2.55 -0.73 -1.55 0.00 -1.26 -1.95 120.51 114.34 3bal n ALA 55 Ca 0.11 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3bal n ALA 55 Cb 0.52 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.51 3bal n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bal n GLY 56 N 1.93 0.85 3.93 0.00 0.00 0.22 -4.93 105.19 107.19 3bal n GLY 56 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.95 5.54 0.22 1.61 1.04 -0.82 -4.80 113.70 113.54 3bal s SER 57 Ca 0.00 0.58 -0.23 0.00 0.48 0.00 0.00 55.95 56.79 3bal s SER 57 Cb 0.00 -1.58 0.04 0.00 0.10 0.00 0.00 66.02 64.58 3bal s SER 57 CO 0.00 -1.06 0.80 -0.94 0.98 0.00 0.00 173.24 173.02 3bal s SER 58 N -4.32 -0.24 0.05 7.02 1.04 -0.21 -1.77 113.70 115.27 3bal s SER 58 Ca 0.54 -0.50 0.03 0.00 0.48 0.00 0.00 55.95 56.50 3bal s SER 58 Cb -0.10 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 3bal s SER 58 CO 0.44 -1.16 0.00 -0.36 0.98 0.00 0.00 173.24 173.14 3bal s PHE 59 N -3.67 3.03 0.83 5.02 0.40 -1.06 -0.77 117.98 121.77 3bal s PHE 59 Ca 0.11 0.02 -0.11 0.00 -0.60 0.00 0.00 56.93 56.35 3bal s PHE 59 Cb -0.04 -1.60 0.10 0.00 0.51 0.00 0.00 43.02 41.99 3bal s PHE 59 CO 0.04 0.47 1.14 0.00 0.70 0.00 0.00 175.22 177.57 3bal s ALA 60 N -1.21 1.83 0.18 5.36 0.00 -0.35 -4.10 121.76 123.47 3bal s ALA 60 Ca 0.23 0.56 -0.33 0.00 0.00 0.00 0.00 51.96 52.42 3bal s ALA 60 Cb -0.12 -3.40 -0.13 0.00 0.00 0.00 0.00 23.12 19.47 3bal s ALA 60 CO 0.15 -2.29 1.64 0.43 0.00 0.00 0.00 175.76 175.69 3bal n SER 61 N -3.71 3.49 -3.80 0.00 7.64 -1.20 -4.81 113.62 111.24 3bal n SER 61 Ca 0.11 1.07 -0.09 0.00 1.01 0.00 0.00 58.87 60.97 3bal n SER 61 Cb 0.52 -1.49 -0.04 0.00 -1.01 0.00 0.00 64.21 62.19 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 1.01 -0.02 -0.01 1.43 -3.43 -0.94 -1.64 115.29 111.68 3bal s HIS 62 Ca 0.77 -0.34 0.06 0.00 -0.80 0.00 0.00 55.06 54.75 3bal s HIS 62 Cb -0.60 0.35 -0.01 0.00 -1.43 0.00 0.00 32.58 30.88 3bal s HIS 62 CO 0.36 -0.93 -0.18 0.42 -2.00 0.00 0.00 174.74 172.40 3bal s ILE 63 N -3.90 1.44 -0.34 -5.38 1.01 -0.24 -1.04 121.20 112.75 3bal s ILE 63 Ca 0.12 -0.78 -0.23 0.00 0.00 0.00 0.00 60.65 59.75 3bal s ILE 63 Cb -0.01 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 41.27 3bal s ILE 63 CO -0.00 0.40 0.78 -1.00 0.00 0.00 0.00 174.94 175.12 3bal s HIS 64 N -0.43 3.15 0.34 3.97 3.76 -0.59 -0.96 115.29 124.53 3bal s HIS 64 Ca 0.07 0.65 0.21 0.00 -0.15 0.00 0.00 55.06 55.84 3bal s HIS 64 Cb -0.07 -3.31 1.05 0.00 1.11 0.00 0.00 32.58 31.35 3bal s HIS 64 CO -0.01 -0.66 1.92 0.00 -0.85 0.00 0.00 174.74 175.15 3bal h ALA 65 N 8.33 1.27 -2.89 -1.40 0.00 -1.76 0.63 119.26 123.45 3bal h ALA 65 Ca -0.25 -0.22 -0.39 0.00 0.00 0.00 0.00 54.91 54.05 3bal h ALA 65 Cb 1.10 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 3bal h ALA 65 CO 0.90 0.30 -0.40 0.20 0.00 0.00 0.00 179.25 180.25 3bal s GLY 66 N -4.26 1.99 0.42 0.00 0.00 -1.21 -4.47 107.32 99.79 3bal s GLY 66 Ca -0.02 -1.87 -0.26 0.00 0.00 0.00 0.00 44.72 42.58 3bal s GLY 66 CO 0.65 -1.31 1.33 2.56 0.00 0.00 0.00 173.10 176.33 3bal s PRO 67 N -3.37 3.87 0.01 2.90 0.04 -1.26 -3.89 135.00 133.30 3bal s PRO 67 Ca 0.37 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.64 3bal s PRO 67 Cb 0.02 -2.71 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 3bal s PRO 67 CO 0.24 -0.59 -0.07 0.20 0.04 0.00 0.00 177.00 176.82 3bal s GLY 68 N -0.71 0.36 -0.07 0.56 0.00 0.15 -2.04 107.32 105.57 3bal s GLY 68 Ca 0.58 -0.41 0.03 0.00 0.00 0.00 0.00 44.72 44.92 3bal s GLY 68 CO 0.50 -0.40 -0.15 -0.54 0.00 0.00 0.00 173.10 172.51 3bal s GLU 69 N -0.57 1.97 0.19 2.90 2.02 -0.63 -0.72 118.70 123.85 3bal s GLU 69 Ca -0.01 -0.53 0.10 0.00 0.02 0.00 0.00 54.97 54.55 3bal s GLU 69 Cb -0.05 -1.59 -0.04 0.00 0.10 0.00 0.00 34.13 32.55 3bal s GLU 69 CO 0.00 0.09 -0.20 1.52 0.02 0.00 0.00 175.26 176.69 3bal s TYR 70 N 0.52 2.00 -0.28 1.61 -0.85 -0.67 -1.38 117.35 118.30 3bal s TYR 70 Ca -0.14 -0.43 -0.00 0.00 -0.52 0.00 0.00 57.07 55.98 3bal s TYR 70 Cb -0.16 -0.98 0.09 0.00 0.38 0.00 0.00 41.96 41.29 3bal s TYR 70 CO 0.05 0.42 0.05 0.12 -1.52 0.00 0.00 175.55 174.66 3bal s PHE 71 N -2.01 2.07 -0.50 -3.49 5.99 0.01 -1.69 117.98 118.35 3bal s PHE 71 Ca 0.19 -1.80 -0.26 0.00 0.00 0.00 0.00 56.93 55.05 3bal s PHE 71 Cb -0.06 -1.77 0.03 0.00 0.00 0.00 0.00 43.02 41.22 3bal s PHE 71 CO 0.08 -0.83 1.02 -1.17 -0.00 0.00 0.00 175.22 174.33 3bal s LEU 72 N 1.50 3.84 0.07 6.12 2.96 0.07 -1.50 118.68 131.74 3bal s LEU 72 Ca 0.05 0.11 0.19 0.00 -0.22 0.00 0.00 54.13 54.26 3bal s LEU 72 Cb -0.18 -3.21 -0.13 0.00 0.50 0.00 0.00 46.19 43.18 3bal s LEU 72 CO -0.16 -1.20 0.80 0.35 -1.32 0.00 0.00 176.35 174.82 3bal n THR 73 N 6.53 0.95 -3.82 3.68 -2.24 -0.54 -2.17 114.28 116.66 3bal n THR 73 Ca 0.07 -0.65 -0.12 0.00 -2.27 0.00 0.00 64.05 61.08 3bal n THR 73 Cb 0.49 -0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 68.05 3bal n THR 73 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3bal s LYS 74 N -3.07 0.37 2.75 -0.78 2.20 -1.06 -4.69 119.74 115.47 3bal s LYS 74 Ca -0.03 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 3bal s LYS 74 Cb 0.09 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 3bal s LYS 74 CO 0.82 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 176.14 3bal n GLY 75 N 2.28 -0.13 3.10 5.54 0.00 -1.25 -1.37 105.19 113.36 3bal n GLY 75 Ca -0.17 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 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 0.43 -0.06 1.61 2.20 -1.26 -2.17 119.74 120.49 3bal s LYS 76 Ca 0.00 -0.27 -0.03 0.00 -0.36 0.00 0.00 55.97 55.31 3bal s LYS 76 Cb 0.00 0.18 0.04 0.00 -1.51 0.00 0.00 37.83 36.54 3bal s LYS 76 CO 0.00 -0.10 0.14 1.41 -0.36 0.00 0.00 175.35 176.44 3bal s MET 77 N -1.10 0.09 -0.31 4.03 -2.45 -0.17 -4.18 119.30 115.22 3bal s MET 77 Ca -0.12 0.35 -0.11 0.00 -1.25 0.00 0.00 55.69 54.56 3bal s MET 77 Cb -0.06 -0.16 -0.02 0.00 1.25 0.00 0.00 34.83 35.83 3bal s MET 77 CO 0.01 -0.15 0.18 -1.21 1.05 0.00 0.00 175.02 174.90 3bal s GLU 78 N 1.07 3.59 0.03 4.11 2.02 -0.27 -0.14 118.70 129.10 3bal s GLU 78 Ca -0.08 -0.56 0.06 0.00 0.02 0.00 0.00 54.97 54.41 3bal s GLU 78 Cb -0.11 -3.65 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 3bal s GLU 78 CO -0.05 -0.34 -0.16 0.14 0.02 0.00 0.00 175.26 174.87 3bal s VAL 79 N 1.69 2.92 -1.49 2.63 -7.23 0.18 -2.19 120.40 116.92 3bal s VAL 79 Ca 0.06 -1.08 -0.05 0.00 -1.81 0.00 0.00 61.98 59.10 3bal s VAL 79 Cb -0.17 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.57 3bal s VAL 79 CO 0.09 0.38 0.46 0.54 -0.31 0.00 0.00 175.10 176.25 3bal n ARG 80 N 1.65 -3.97 -0.20 4.82 1.74 -1.26 -1.17 116.66 118.26 3bal n ARG 80 Ca -0.16 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 3bal n ARG 80 Cb 0.52 -5.59 0.00 0.00 -1.02 0.00 0.00 32.46 26.37 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 -1.33 0.81 0.00 -0.13 0.00 -1.26 -3.55 105.19 99.73 3bal n GLY 81 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.64 0.27 -0.02 0.00 -0.73 -3.50 105.19 97.57 3bal n GLY 82 Ca 0.00 -1.55 0.18 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 0.00 1.61 9.09 -1.69 0.43 114.58 124.02 3bal h GLU 83 Ca 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.35 3bal h GLU 83 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 3bal h GLU 83 CO 0.00 0.00 -0.29 0.37 0.05 0.00 0.00 179.01 179.14 3bal h GLN 84 N 0.00 0.00 -0.09 1.06 5.75 -1.86 -3.17 115.11 116.80 3bal h GLN 84 Ca 0.00 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 3bal h GLN 84 Cb 0.11 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.57 3bal h GLN 84 CO 0.00 0.29 -0.59 0.39 -2.65 0.00 0.00 178.83 176.28 3bal n GLU 85 N -3.83 1.68 -1.00 1.69 1.02 -0.08 -4.94 120.64 115.19 3bal n GLU 85 Ca -0.01 -3.30 -0.00 0.00 -0.02 0.00 0.00 57.16 53.83 3bal n GLU 85 Cb 0.38 -1.56 -0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3bal n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bal n GLY 86 N -0.94 0.47 0.00 0.62 0.00 -1.16 -4.83 105.19 99.36 3bal n GLY 86 Ca 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.99 2.95 3.12 -0.02 0.00 0.13 -4.95 105.19 103.43 3bal n GLY 87 Ca -0.00 -1.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.35 1.45 -0.29 1.61 0.01 -0.32 -3.56 113.70 112.25 3bal s SER 88 Ca 0.00 -0.47 0.03 0.00 1.31 0.00 0.00 55.95 56.83 3bal s SER 88 Cb 0.00 -0.07 0.07 0.00 0.21 0.00 0.00 66.02 66.23 3bal s SER 88 CO 0.00 -0.02 -0.05 -0.89 0.41 0.00 0.00 173.24 172.69 3bal s THR 89 N -0.94 2.19 -0.03 1.44 2.01 -1.26 -0.64 115.64 118.41 3bal s THR 89 Ca -0.01 -1.87 -0.20 0.00 0.31 0.00 0.00 61.69 59.93 3bal s THR 89 Cb -0.08 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.97 3bal s THR 89 CO 0.01 -0.22 0.56 0.00 -0.69 0.00 0.00 174.62 174.28 3bal s ALA 90 N 1.04 3.50 -0.11 7.40 0.00 0.80 -4.92 121.76 129.47 3bal s ALA 90 Ca -0.02 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.93 3bal s ALA 90 Cb -0.20 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 3bal s ALA 90 CO -0.06 0.15 -0.18 0.71 0.00 0.00 0.00 175.76 176.38 3bal s TYR 91 N -0.08 2.68 0.23 0.00 1.51 -1.26 -1.00 117.35 119.43 3bal s TYR 91 Ca 0.30 -0.75 -0.30 0.00 -1.01 0.00 0.00 57.07 55.31 3bal s TYR 91 Cb -0.18 -1.76 -0.09 0.00 -0.11 0.00 0.00 41.96 39.83 3bal s TYR 91 CO 0.16 -0.25 1.26 0.00 -1.11 0.00 0.00 175.55 175.61 3bal s ALA 92 N 0.21 3.49 -0.02 3.71 0.00 -0.92 -3.13 121.76 125.10 3bal s ALA 92 Ca -0.11 1.08 -0.20 0.00 0.00 0.00 0.00 51.96 52.73 3bal s ALA 92 Cb -0.16 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 3bal s ALA 92 CO 0.06 -0.48 0.56 -1.25 0.00 0.00 0.00 175.76 174.66 3bal s PRO 93 N -0.59 4.29 0.17 0.00 0.04 -1.26 -4.89 135.00 132.75 3bal s PRO 93 Ca 0.53 0.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.09 3bal s PRO 93 Cb -0.36 -3.35 0.02 0.00 0.04 0.00 0.00 34.50 30.86 3bal s PRO 93 CO 0.41 0.36 0.43 -1.54 0.04 0.00 0.00 177.00 176.70 3bal s SER 94 N -0.13 -0.17 0.18 6.66 1.04 -0.92 -5.01 113.70 115.34 3bal s SER 94 Ca 0.30 -0.54 0.10 0.00 0.48 0.00 0.00 55.95 56.28 3bal s SER 94 Cb -0.18 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 3bal s SER 94 CO 0.16 -0.96 -0.20 -0.47 0.98 0.00 0.00 173.24 172.74 3bal s TYR 95 N -3.88 1.99 -0.10 5.02 5.04 -1.26 -0.75 117.35 123.41 3bal s TYR 95 Ca 0.09 -0.43 -0.13 0.00 -2.44 0.00 0.00 57.07 54.17 3bal s TYR 95 Cb 0.01 -0.98 0.03 0.00 0.35 0.00 0.00 41.96 41.36 3bal s TYR 95 CO -0.04 0.39 0.34 0.20 -1.34 0.00 0.00 175.55 175.10 3bal s GLY 96 N -2.68 -0.23 -0.27 8.97 0.00 -0.68 -4.99 107.32 107.44 3bal s GLY 96 Ca 0.18 0.79 -0.02 0.00 0.00 0.00 0.00 44.72 45.66 3bal s GLY 96 CO 0.08 0.63 -0.03 -0.12 0.00 0.00 0.00 173.10 173.66 3bal s PHE 97 N -0.26 3.14 -0.41 1.90 5.36 -1.26 -1.67 117.98 124.78 3bal s PHE 97 Ca -0.04 -1.61 -0.06 0.00 -0.96 0.00 0.00 56.93 54.25 3bal s PHE 97 Cb -0.03 -2.09 0.09 0.00 -0.34 0.00 0.00 43.02 40.65 3bal s PHE 97 CO 0.02 -0.74 0.23 -1.21 -1.46 0.00 0.00 175.22 172.05 3bal s GLU 98 N 1.32 2.36 0.93 10.12 0.41 0.10 -4.99 118.70 128.94 3bal s GLU 98 Ca -0.02 -1.61 -0.12 0.00 -0.41 0.00 0.00 54.97 52.82 3bal s GLU 98 Cb -0.18 -3.67 0.15 0.00 -1.78 0.00 0.00 34.13 28.65 3bal s GLU 98 CO -0.03 -1.00 1.09 -1.54 -0.49 0.00 0.00 175.26 173.30 3bal s SER 99 N 2.01 3.19 0.03 -0.19 1.04 -1.26 -0.68 113.70 117.84 3bal s SER 99 Ca 0.04 1.38 -0.32 0.00 0.48 0.00 0.00 55.95 57.53 3bal s SER 99 Cb -0.23 -2.05 -0.11 0.00 0.10 0.00 0.00 66.02 63.72 3bal s SER 99 CO -0.01 -2.80 1.85 -0.24 0.98 0.00 0.00 173.24 173.02 3bal n SER 100 N -3.98 3.71 0.00 7.02 2.88 -1.25 -1.16 113.62 120.84 3bal n SER 100 Ca 0.06 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 3bal n SER 100 Cb 0.56 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 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 4.25 0.40 3.71 0.46 0.00 0.22 -4.94 105.19 109.29 3bal n GLY 101 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3bal n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bal s ALA 102 N -2.00 3.83 -0.31 4.61 0.00 -0.31 -4.72 121.76 122.86 3bal s ALA 102 Ca 0.00 1.48 -0.13 0.00 0.00 0.00 0.00 51.96 53.31 3bal s ALA 102 Cb 0.00 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 3bal s ALA 102 CO 0.00 -1.05 0.25 -1.17 0.00 0.00 0.00 175.76 173.79 3bal s LEU 103 N 1.95 4.29 -0.69 0.00 2.96 -1.26 -1.55 118.68 124.38 3bal s LEU 103 Ca 0.77 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.50 3bal s LEU 103 Cb -0.47 -2.18 0.17 0.00 0.50 0.00 0.00 46.19 44.21 3bal s LEU 103 CO 0.34 -0.18 0.50 -1.00 -1.32 0.00 0.00 176.35 174.69 3bal s HIS 104 N 1.81 3.53 0.30 5.38 3.76 -0.21 -4.57 115.29 125.29 3bal s HIS 104 Ca 0.08 -3.08 -0.02 0.00 -0.15 0.00 0.00 55.06 51.89 3bal s HIS 104 Cb -0.17 -2.99 0.45 0.00 1.11 0.00 0.00 32.58 30.99 3bal s HIS 104 CO 0.11 -0.71 1.95 0.78 -0.85 0.00 0.00 174.74 176.02 3bal h GLY 105 N 6.18 1.11 -5.00 -2.22 0.00 -1.91 -2.50 103.07 98.73 3bal h GLY 105 Ca 0.06 -0.44 -0.16 0.00 0.00 0.00 0.00 47.33 46.79 3bal h GLY 105 CO 0.74 0.43 -0.37 1.17 0.00 0.00 0.00 176.54 178.52 3bal n LYS 106 N -4.39 0.54 -1.68 4.80 4.81 -1.26 -3.23 118.16 117.75 3bal n LYS 106 Ca 0.08 -1.49 -0.46 0.00 -0.87 0.00 0.00 58.31 55.57 3bal n LYS 106 Cb 0.05 -1.08 -0.04 0.00 0.02 0.00 0.00 35.03 33.98 3bal n LYS 106 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3bal n THR 107 N 1.92 0.44 -4.72 3.15 -1.04 -1.26 -4.84 114.28 107.93 3bal n THR 107 Ca 0.09 -0.08 -0.29 0.00 -2.04 0.00 0.00 64.05 61.73 3bal n THR 107 Cb 0.64 -1.88 -0.14 0.00 -1.82 0.00 0.00 70.33 67.13 3bal n THR 107 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3bal s PHE 108 N 3.21 2.24 -0.32 -1.42 5.36 -0.93 -2.55 117.98 123.57 3bal s PHE 108 Ca 0.88 -0.40 0.03 0.00 -0.96 0.00 0.00 56.93 56.48 3bal s PHE 108 Cb -0.63 -1.30 0.09 0.00 -0.34 0.00 0.00 43.02 40.83 3bal s PHE 108 CO 0.46 0.18 0.02 -0.06 -1.46 0.00 0.00 175.22 174.36 3bal s PHE 109 N -0.89 3.62 0.20 10.12 0.40 -0.73 -1.11 117.98 129.60 3bal s PHE 109 Ca 0.12 -2.77 0.30 0.00 -0.60 0.00 0.00 56.93 53.97 3bal s PHE 109 Cb -0.10 -2.69 1.29 0.00 0.51 0.00 0.00 43.02 42.03 3bal s PHE 109 CO 0.03 -0.93 1.97 -1.35 0.70 0.00 0.00 175.22 175.64 3bal h PRO 110 N 7.69 0.00 -4.96 0.24 0.11 -1.88 0.63 132.00 133.84 3bal h PRO 110 Ca -0.09 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.69 3bal h PRO 110 Cb 1.03 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.99 3bal h PRO 110 CO 0.52 0.10 -0.67 0.08 -0.21 0.00 0.00 178.00 177.82 3bal s VAL 111 N -3.78 0.90 0.21 3.15 1.01 -1.26 -4.04 120.40 116.59 3bal s VAL 111 Ca -0.00 -2.01 -0.32 0.00 0.00 0.00 0.00 61.98 59.65 3bal s VAL 111 Cb 0.10 -2.17 -0.12 0.00 0.00 0.00 0.00 36.38 34.20 3bal s VAL 111 CO 0.58 -0.46 1.72 -0.70 0.00 0.00 0.00 175.10 176.24 3bal s GLU 112 N -3.87 4.12 0.34 2.72 2.12 -1.26 -4.08 118.70 118.79 3bal s GLU 112 Ca 0.25 2.62 0.07 0.00 0.36 0.00 0.00 54.97 58.27 3bal s GLU 112 Cb 0.05 -3.07 -0.03 0.00 0.26 0.00 0.00 34.13 31.35 3bal s GLU 112 CO 0.05 -0.75 0.27 0.43 -0.54 0.00 0.00 175.26 174.72 3bal n SER 113 N 3.88 -0.55 -3.65 -1.70 7.64 0.05 -3.84 113.62 115.44 3bal n SER 113 Ca 0.16 -3.18 -0.11 0.00 1.01 0.00 0.00 58.87 56.75 3bal n SER 113 Cb 0.35 1.61 -0.08 0.00 -1.01 0.00 0.00 64.21 65.08 3bal n SER 113 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3bal s GLN 114 N -3.36 0.70 -0.08 1.43 0.74 -0.47 -1.76 119.66 116.86 3bal s GLN 114 Ca 0.38 1.01 -0.11 0.00 0.05 0.00 0.00 55.36 56.69 3bal s GLN 114 Cb 0.02 0.24 0.03 0.00 1.10 0.00 0.00 33.01 34.39 3bal s GLN 114 CO 0.27 -0.12 0.29 -0.59 -0.55 0.00 0.00 175.29 174.59 3bal s PHE 115 N 0.96 -0.26 -0.06 1.67 -0.12 -0.91 -1.47 117.98 117.79 3bal s PHE 115 Ca -0.05 0.58 -0.02 0.00 -0.05 0.00 0.00 56.93 57.39 3bal s PHE 115 Cb -0.05 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 3bal s PHE 115 CO -0.09 -0.23 0.06 -0.47 -0.05 0.00 0.00 175.22 174.44 3bal s TYR 116 N -0.38 3.30 -0.19 3.49 5.04 -0.56 -0.96 117.35 127.10 3bal s TYR 116 Ca -0.05 0.26 -0.18 0.00 -2.44 0.00 0.00 57.07 54.67 3bal s TYR 116 Cb -0.03 -1.80 0.05 0.00 0.35 0.00 0.00 41.96 40.53 3bal s TYR 116 CO 0.02 0.56 0.50 1.41 -1.34 0.00 0.00 175.55 176.69 3bal s MET 117 N -1.26 0.59 -0.09 4.97 -2.45 -0.54 -0.81 119.30 119.70 3bal s MET 117 Ca 0.18 0.68 -0.01 0.00 -1.25 0.00 0.00 55.69 55.29 3bal s MET 117 Cb -0.12 0.29 -0.03 0.00 1.25 0.00 0.00 34.83 36.22 3bal s MET 117 CO 0.07 -0.07 -0.06 0.95 1.05 0.00 0.00 175.02 176.97 3bal s THR 118 N 0.24 3.79 -0.02 10.11 -4.23 -0.48 -2.00 115.64 123.06 3bal s THR 118 Ca -0.00 -0.43 0.06 0.00 -1.18 0.00 0.00 61.69 60.14 3bal s THR 118 Cb -0.03 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 3bal s THR 118 CO 0.01 0.57 -0.20 -0.36 -0.54 0.00 0.00 174.62 174.10 3bal s PHE 119 N -0.51 1.79 -0.30 3.99 0.40 0.84 -1.60 117.98 122.60 3bal s PHE 119 Ca 0.08 -0.37 -0.04 0.00 -0.60 0.00 0.00 56.93 55.99 3bal s PHE 119 Cb -0.12 -1.16 0.03 0.00 0.51 0.00 0.00 43.02 42.28 3bal s PHE 119 CO 0.02 -0.06 0.04 -1.17 0.70 0.00 0.00 175.22 174.75 3bal s LEU 120 N -0.39 3.84 0.00 -0.37 2.96 -0.87 -0.72 118.68 123.14 3bal s LEU 120 Ca 0.06 -0.99 0.00 0.00 -0.22 0.00 0.00 54.13 52.98 3bal s LEU 120 Cb -0.08 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.81 3bal s LEU 120 CO -0.00 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.41 3bal n GLY 121 N 4.75 -2.53 3.96 7.98 0.00 -0.88 -3.36 105.19 115.11 3bal n GLY 121 Ca -0.14 -1.77 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.45 2.49 -0.26 1.61 0.04 -1.26 -4.72 135.00 132.46 3bal s PRO 122 Ca 0.00 -0.60 -0.05 0.00 0.04 0.00 0.00 61.00 60.39 3bal s PRO 122 Cb 0.00 -2.40 -0.00 0.00 0.04 0.00 0.00 34.50 32.14 3bal s PRO 122 CO 0.00 -0.83 0.02 -0.51 0.04 0.00 0.00 177.00 175.73 3bal s LEU 123 N -4.89 3.40 -0.52 -3.56 1.43 0.43 -2.25 118.68 112.72 3bal s LEU 123 Ca 0.57 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.94 3bal s LEU 123 Cb -0.10 -1.82 0.06 0.00 0.03 0.00 0.00 46.19 44.35 3bal s LEU 123 CO 0.40 -0.10 0.72 0.20 0.23 0.00 0.00 176.35 177.80 3bal s ASN 124 N 1.50 6.25 0.05 2.29 0.01 -0.13 -1.28 114.94 123.62 3bal s ASN 124 Ca 0.04 -0.78 -0.30 0.00 -0.71 0.00 0.00 52.86 51.11 3bal s ASN 124 Cb -0.16 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 3bal s ASN 124 CO 0.00 -1.00 1.00 -0.36 -1.51 0.00 0.00 177.10 175.23 3bal s PHE 125 N 3.01 3.68 0.22 2.20 0.40 0.43 -1.08 117.98 126.84 3bal s PHE 125 Ca 0.19 1.69 0.10 0.00 -0.60 0.00 0.00 56.93 58.31 3bal s PHE 125 Cb -0.18 -3.13 -0.04 0.00 0.51 0.00 0.00 43.02 40.18 3bal s PHE 125 CO 0.14 -0.09 -0.08 0.96 0.70 0.00 0.00 175.22 176.85 3bal s ILE 126 N 0.65 3.16 0.00 0.64 -4.36 -0.65 -0.52 121.20 120.12 3bal s ILE 126 Ca 0.51 -1.83 0.00 0.00 -0.26 0.00 0.00 60.65 59.07 3bal s ILE 126 Cb -0.23 -2.62 0.00 0.00 1.25 0.00 0.00 42.46 40.87 3bal s ILE 126 CO 0.29 -0.22 0.00 -0.90 0.24 0.00 0.00 174.94 174.35 3bal n ASP 127 N -0.32 0.00 0.23 4.36 5.68 -0.19 -4.64 116.55 121.69 3bal n ASP 127 Ca -0.09 -0.97 0.10 0.00 -0.50 0.00 0.00 54.79 53.33 3bal n ASP 127 Cb 0.57 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 41.11 3bal n ASP 127 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 3bal h ASP 128 N 0.00 0.00 0.49 -1.12 1.82 -2.01 -2.65 116.42 112.95 3bal h ASP 128 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3bal h ASP 128 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 3bal h ASP 128 CO 0.00 0.21 -0.36 0.59 -1.61 0.00 0.00 179.24 178.07 3bal n ASN 129 N -3.60 0.55 0.00 2.28 3.02 -1.26 -4.93 115.26 111.33 3bal n ASN 129 Ca -0.01 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 3bal n ASN 129 Cb 0.35 0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 3bal n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bal n GLY 130 N 1.45 0.87 3.72 7.41 0.00 -1.00 -5.08 105.19 112.56 3bal n GLY 130 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3bal n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bal s LYS 131 N -0.98 4.61 -0.14 1.61 -0.14 -1.26 -4.75 119.74 118.69 3bal s LYS 131 Ca 0.00 1.36 -0.29 0.00 -1.36 0.00 0.00 55.97 55.68 3bal s LYS 131 Cb 0.00 -3.41 -0.04 0.00 -1.68 0.00 0.00 37.83 32.70 3bal s LYS 131 CO 0.00 0.13 1.70 0.08 -0.76 0.00 0.00 175.35 176.50 3bal s VAL 132 N 0.37 3.55 -1.28 3.17 1.01 -1.26 -1.02 120.40 124.94 3bal s VAL 132 Ca 0.47 0.64 0.16 0.00 0.00 0.00 0.00 61.98 63.25 3bal s VAL 132 Cb -0.22 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 3bal s VAL 132 CO 0.28 -0.16 0.81 2.30 0.00 0.00 0.00 175.10 178.33 3bal n ILE 133 N 6.09 0.00 -3.44 2.22 -5.35 0.32 -4.95 119.36 114.25 3bal n ILE 133 Ca 0.19 -0.27 0.01 0.00 -0.27 0.00 0.00 62.75 62.41 3bal n ILE 133 Cb 0.44 1.14 -0.05 0.00 -1.74 0.00 0.00 39.64 39.43 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 -2.09 -2.74 -0.48 -1.28 0.00 -1.10 -5.00 121.76 109.06 3bal s ALA 134 Ca 0.11 2.02 -0.12 0.00 0.00 0.00 0.00 51.96 53.97 3bal s ALA 134 Cb 0.13 -2.03 0.11 0.00 0.00 0.00 0.00 23.12 21.34 3bal s ALA 134 CO 0.48 -0.74 0.38 0.45 0.00 0.00 0.00 175.76 176.33 3bal s SER 135 N 1.94 5.88 -0.41 0.00 0.15 -1.26 -0.43 113.70 119.56 3bal s SER 135 Ca -0.04 -1.77 -0.16 0.00 0.70 0.00 0.00 55.95 54.68 3bal s SER 135 Cb -0.04 -2.08 0.02 0.00 -1.71 0.00 0.00 66.02 62.21 3bal s SER 135 CO -0.16 -0.72 0.37 -0.63 1.20 0.00 0.00 173.24 173.30 3bal s ILE 136 N 1.47 5.17 0.00 6.45 -1.09 -0.40 -4.88 121.20 127.91 3bal s ILE 136 Ca 0.04 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 57.97 3bal s ILE 136 Cb -0.27 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 3bal s ILE 136 CO 0.01 -0.36 0.00 0.61 -1.23 0.00 0.00 174.94 173.97 3bal n GLY 137 N 5.13 5.04 0.32 6.18 0.00 -1.26 -0.43 105.19 120.17 3bal n GLY 137 Ca -0.09 -2.12 0.05 0.00 0.00 0.00 0.00 46.02 43.86 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 0.45 0.90 -0.56 1.61 5.08 -1.84 0.97 115.95 122.55 3bal h TRP 138 Ca 0.00 0.03 -0.11 0.00 1.08 0.00 0.00 58.89 59.89 3bal h TRP 138 Cb 0.00 -0.27 -0.02 0.00 -3.00 0.00 0.00 29.16 25.87 3bal h TRP 138 CO 0.00 0.32 -0.09 0.00 -1.28 0.00 0.00 178.44 177.39 3bal h ALA 139 N 1.50 0.77 -0.23 0.11 0.00 -1.96 0.11 119.26 119.57 3bal h ALA 139 Ca 0.44 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 3bal h ALA 139 Cb 0.47 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3bal h ALA 139 CO -0.28 0.68 -0.62 0.93 0.00 0.00 0.00 179.25 179.95 3bal h GLU 140 N 0.94 0.79 -0.64 0.00 3.07 -1.78 -2.10 114.58 114.86 3bal h GLU 140 Ca 0.15 -0.55 -0.07 0.00 -0.50 0.00 0.00 59.36 58.39 3bal h GLU 140 Cb 0.66 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.63 3bal h GLU 140 CO 0.05 1.17 0.13 0.00 -1.40 0.00 0.00 179.01 178.96 3bal h ALA 141 N 0.70 0.85 -0.42 3.43 0.00 -0.66 -2.08 119.26 121.09 3bal h ALA 141 Ca -0.01 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3bal h ALA 141 Cb 1.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3bal h ALA 141 CO 0.13 0.59 -0.17 0.37 0.00 0.00 0.00 179.25 180.18 3bal h GLN 142 N 0.97 0.79 -0.67 0.00 4.15 -0.74 -1.56 115.11 118.04 3bal h GLN 142 Ca 0.20 -0.29 -0.04 0.00 0.77 0.00 0.00 58.65 59.29 3bal h GLN 142 Cb 0.40 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 3bal h GLN 142 CO 0.01 0.91 0.27 0.78 -1.93 0.00 0.00 178.83 178.87 3bal h GLY 143 N 0.97 1.08 1.56 2.39 0.00 -1.13 0.43 103.07 108.36 3bal h GLY 143 Ca 0.11 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 46.74 3bal h GLY 143 CO 0.05 0.55 -0.35 0.00 0.00 0.00 0.00 176.54 176.79 3bal h ALA 144 N 1.12 0.97 -0.07 3.60 0.00 -1.21 -1.54 119.26 122.13 3bal h ALA 144 Ca 0.22 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3bal h ALA 144 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3bal h ALA 144 CO -0.02 0.61 -0.11 2.35 0.00 0.00 0.00 179.25 182.08 3bal h TRP 145 N 0.42 0.24 -0.53 0.00 2.91 -0.90 -2.53 115.95 115.56 3bal h TRP 145 Ca 0.05 -0.08 -0.12 0.00 1.13 0.00 0.00 58.89 59.87 3bal h TRP 145 Cb 0.81 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 29.40 3bal h TRP 145 CO 0.03 0.69 -0.12 -0.07 -1.03 0.00 0.00 178.44 177.94 3bal h LEU 146 N -0.27 1.03 0.23 0.65 3.38 -0.93 -3.19 115.31 116.20 3bal h LEU 146 Ca 0.01 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3bal h LEU 146 Cb 0.66 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3bal h LEU 146 CO 0.02 1.15 -0.23 0.00 0.09 0.00 0.00 178.44 179.47 3bal h ALA 147 N 0.92 -0.48 -0.47 1.53 0.00 -1.32 -2.72 119.26 116.72 3bal h ALA 147 Ca 0.14 -0.07 -0.58 0.00 0.00 0.00 0.00 54.91 54.39 3bal h ALA 147 Cb 0.69 0.34 -0.12 0.00 0.00 0.00 0.00 17.79 18.69 3bal h ALA 147 CO 0.05 -0.80 1.46 0.25 0.00 0.00 0.00 179.25 180.21 3bal n THR 148 N -5.36 4.17 1.32 0.00 -2.24 -0.95 -5.10 114.28 106.12 3bal n THR 148 Ca -0.08 -3.34 0.11 0.00 -2.27 0.00 0.00 64.05 58.46 3bal n THR 148 Cb 0.27 -1.93 0.63 0.00 -2.10 0.00 0.00 70.33 67.20 3bal n THR 148 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67