#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2guc s LEU 2 N 0.00 4.30 0.35 2.46 2.96 -1.26 -5.00 118.68 122.49 2guc s LEU 2 Ca 0.00 1.80 -0.09 0.00 -0.22 0.00 0.00 54.13 55.63 2guc s LEU 2 Cb 0.00 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.15 2guc s LEU 2 CO 0.00 -0.50 0.60 0.28 -1.32 0.00 0.00 176.35 175.41 2guc s THR 3 N 1.80 0.00 0.05 3.68 -1.32 -1.26 -5.18 115.64 113.41 2guc s THR 3 Ca 0.55 -1.34 -0.06 0.00 -1.21 0.00 0.00 61.69 59.62 2guc s THR 3 Cb -0.24 -2.68 -0.01 0.00 -1.51 0.00 0.00 72.50 68.05 2guc s THR 3 CO 0.24 0.00 0.12 -1.38 -2.21 0.00 0.00 174.62 171.38 2guc s HIS 4 N -2.86 0.20 -0.01 9.09 -3.43 -1.26 -5.16 115.29 111.86 2guc s HIS 4 Ca 0.24 -0.55 0.01 0.00 -0.80 0.00 0.00 55.06 53.96 2guc s HIS 4 Cb -0.02 -0.14 0.01 0.00 -1.43 0.00 0.00 32.58 31.00 2guc s HIS 4 CO 0.16 -0.41 -0.02 1.03 -2.00 0.00 0.00 174.74 173.49 2guc s ARG 5 N -3.01 0.33 -0.13 -0.38 0.52 -1.26 -5.15 118.95 109.89 2guc s ARG 5 Ca -0.02 -0.06 -0.08 0.00 -0.52 0.00 0.00 55.73 55.05 2guc s ARG 5 Cb 0.01 -0.39 -0.04 0.00 0.52 0.00 0.00 34.95 35.05 2guc s ARG 5 CO -0.06 -0.00 0.16 0.21 0.02 0.00 0.00 175.30 175.62 2guc s LYS 6 N 0.35 3.62 0.07 3.54 2.20 -1.26 -5.11 119.74 123.16 2guc s LYS 6 Ca -0.03 -0.11 0.07 0.00 -0.36 0.00 0.00 55.97 55.54 2guc s LYS 6 Cb -0.06 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 2guc s LYS 6 CO -0.01 0.68 -0.19 -0.06 -0.36 0.00 0.00 175.35 175.41 2guc s PHE 7 N -0.75 1.65 0.00 4.03 0.40 -1.26 -5.11 117.98 116.95 2guc s PHE 7 Ca 0.14 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.08 2guc s PHE 7 Cb -0.12 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.46 2guc s PHE 7 CO 0.04 0.12 0.00 0.41 0.70 0.00 0.00 175.22 176.49 2guc n GLY 8 N 1.50 -1.16 0.00 4.36 0.00 -1.26 -5.08 105.19 103.56 2guc n GLY 8 Ca -0.19 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.73 2guc n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2guc n GLY 9 N 0.00 2.08 0.93 -0.02 0.00 -1.26 -5.05 105.19 101.87 2guc n GLY 9 Ca 0.00 -2.13 0.12 0.00 0.00 0.00 0.00 46.02 44.01 2guc n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2guc n SER 10 N -2.74 2.89 -3.14 1.61 3.41 -1.26 -5.00 113.62 109.39 2guc n SER 10 Ca 0.00 -1.96 -0.16 0.00 -0.26 0.00 0.00 58.87 56.49 2guc n SER 10 Cb 0.00 -0.01 0.11 0.00 -0.26 0.00 0.00 64.21 64.05 2guc n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2guc n GLY 11 N 1.34 -1.02 2.73 5.00 0.00 -1.26 -5.01 105.19 106.97 2guc n GLY 11 Ca 0.15 -1.74 0.06 0.00 0.00 0.00 0.00 46.02 44.48 2guc n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2guc n GLY 12 N 0.14 -1.94 3.39 -0.02 0.00 -1.26 -4.92 105.19 100.57 2guc n GLY 12 Ca 0.09 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 2guc n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2guc s SER 13 N -4.19 3.49 0.67 1.61 0.15 -1.26 -5.11 113.70 109.07 2guc s SER 13 Ca 0.00 -0.35 -0.17 0.00 0.70 0.00 0.00 55.95 56.13 2guc s SER 13 Cb 0.00 -0.57 0.01 0.00 -1.71 0.00 0.00 66.02 63.75 2guc s SER 13 CO 0.00 0.33 1.26 -2.84 1.20 0.00 0.00 173.24 173.19 2guc s PRO 14 N -0.67 2.41 0.06 5.44 0.02 -1.26 -5.05 135.00 135.95 2guc s PRO 14 Ca 0.11 1.95 -0.03 0.00 0.02 0.00 0.00 61.00 63.05 2guc s PRO 14 Cb -0.10 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.55 2guc s PRO 14 CO -0.00 -1.67 0.03 -0.59 -0.33 0.00 0.00 177.00 174.44 2guc s PHE 15 N -1.60 0.40 0.02 6.54 -0.12 -1.26 -4.90 117.98 117.07 2guc s PHE 15 Ca 0.80 -0.90 0.06 0.00 -0.05 0.00 0.00 56.93 56.83 2guc s PHE 15 Cb -0.34 -0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 41.73 2guc s PHE 15 CO 0.41 -0.42 -0.14 0.45 -0.05 0.00 0.00 175.22 175.47 2guc s SER 16 N -2.83 4.08 0.50 1.98 0.15 -1.26 -5.03 113.70 111.29 2guc s SER 16 Ca 0.05 -0.32 0.32 0.00 0.70 0.00 0.00 55.95 56.71 2guc s SER 16 Cb 0.06 -0.78 1.38 0.00 -1.71 0.00 0.00 66.02 64.98 2guc s SER 16 CO -0.10 0.27 1.96 1.23 1.20 0.00 0.00 173.24 177.80 2guc h GLY 17 N 4.57 0.00 -6.57 9.45 0.00 -2.02 -3.42 103.07 105.08 2guc h GLY 17 Ca -0.48 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.25 2guc h GLY 17 CO 0.50 0.00 -0.29 -2.27 0.00 0.00 0.00 176.54 174.48 2guc s LEU 18 N -5.80 4.15 0.00 3.11 2.96 -1.26 -4.98 118.68 116.85 2guc s LEU 18 Ca 0.01 0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 2guc s LEU 18 Cb 0.09 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.39 2guc s LEU 18 CO 0.49 -0.03 0.00 -1.54 -1.32 0.00 0.00 176.35 173.95 2guc n SER 19 N 4.39 4.30 -3.48 3.68 3.41 -1.26 -4.90 113.62 119.77 2guc n SER 19 Ca -0.10 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.36 2guc n SER 19 Cb 0.51 0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 64.91 2guc n SER 19 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2guc s SER 20 N -2.59 -0.58 -0.01 4.04 1.04 -1.26 -1.01 113.70 113.33 2guc s SER 20 Ca 0.00 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.68 2guc s SER 20 Cb 0.00 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.70 2guc s SER 20 CO 0.00 -0.82 0.01 -0.63 0.98 0.00 0.00 173.24 172.78 2guc s ILE 21 N -2.75 0.02 0.15 -1.02 -1.09 -0.35 -0.82 121.20 115.34 2guc s ILE 21 Ca -0.04 0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 58.44 2guc s ILE 21 Cb -0.01 -0.08 -0.04 0.00 -1.58 0.00 0.00 42.46 40.76 2guc s ILE 21 CO -0.04 0.05 0.08 0.00 -1.23 0.00 0.00 174.94 173.80 2guc s ALA 22 N 0.44 0.91 0.07 9.38 0.00 -0.35 -0.41 121.76 131.79 2guc s ALA 22 Ca -0.04 -1.51 0.02 0.00 0.00 0.00 0.00 51.96 50.43 2guc s ALA 22 Cb -0.06 0.98 -0.03 0.00 0.00 0.00 0.00 23.12 24.01 2guc s ALA 22 CO -0.01 -0.51 -0.07 0.14 0.00 0.00 0.00 175.76 175.31 2guc s VAL 23 N -4.07 0.57 -0.11 0.00 -7.23 -1.26 -0.49 120.40 107.80 2guc s VAL 23 Ca 0.27 -1.53 -0.09 0.00 -1.81 0.00 0.00 61.98 58.82 2guc s VAL 23 Cb 0.07 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 2guc s VAL 23 CO 0.04 -0.66 0.20 -0.13 -0.31 0.00 0.00 175.10 174.23 2guc s ARG 24 N -2.80 3.67 0.03 4.82 0.52 -0.54 -0.16 118.95 124.50 2guc s ARG 24 Ca 0.01 -0.03 -0.14 0.00 -0.52 0.00 0.00 55.73 55.06 2guc s ARG 24 Cb -0.02 -3.24 0.02 0.00 0.52 0.00 0.00 34.95 32.23 2guc s ARG 24 CO -0.03 0.67 0.30 -1.54 0.02 0.00 0.00 175.30 174.72 2guc s SER 25 N -0.76 -0.13 0.00 0.23 1.04 -0.31 -0.44 113.70 113.33 2guc s SER 25 Ca 0.16 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2guc s SER 25 Cb -0.13 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2guc s SER 25 CO 0.05 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2guc n GLY 26 N 0.72 2.73 0.13 7.32 0.00 -1.26 -0.82 105.19 114.01 2guc n GLY 26 Ca -0.19 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.76 2guc n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2guc h SER 27 N 0.00 0.00 -1.45 1.61 4.64 -1.92 -3.12 113.55 113.32 2guc h SER 27 Ca 0.00 -0.02 -0.63 0.00 -0.47 0.00 0.00 61.79 60.66 2guc h SER 27 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 2guc h SER 27 CO 0.00 0.01 -0.52 -0.31 -0.87 0.00 0.00 176.83 175.15 2guc s TYR 28 N -3.15 1.84 -0.53 4.77 2.02 -1.26 -1.97 117.35 119.07 2guc s TYR 28 Ca 0.09 -1.08 -0.29 0.00 -0.37 0.00 0.00 57.07 55.42 2guc s TYR 28 Cb 0.10 -1.44 0.03 0.00 -0.40 0.00 0.00 41.96 40.25 2guc s TYR 28 CO 0.64 0.03 1.17 -0.51 -1.57 0.00 0.00 175.55 175.30 2guc s LEU 29 N -3.77 3.54 0.31 -1.29 1.02 -0.27 -4.35 118.68 113.86 2guc s LEU 29 Ca 0.13 0.26 0.13 0.00 0.02 0.00 0.00 54.13 54.67 2guc s LEU 29 Cb 0.02 -3.34 0.49 0.00 0.02 0.00 0.00 46.19 43.38 2guc s LEU 29 CO 0.08 -1.38 1.68 0.44 0.02 0.00 0.00 176.35 177.19 2guc h ASP 30 N 9.40 0.00 -4.74 2.29 5.19 -1.06 0.00 116.42 127.51 2guc h ASP 30 Ca -0.24 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.15 2guc h ASP 30 Cb 1.06 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.37 2guc h ASP 30 CO 1.16 0.52 0.30 0.00 -3.12 0.00 0.00 179.24 178.10 2guc s ALA 31 N -3.72 -1.81 0.02 3.45 0.00 -1.03 -0.73 121.76 117.94 2guc s ALA 31 Ca -0.01 1.37 0.07 0.00 0.00 0.00 0.00 51.96 53.38 2guc s ALA 31 Cb 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2guc s ALA 31 CO 0.74 -0.37 -0.18 -1.50 0.00 0.00 0.00 175.76 174.45 2guc s ILE 32 N -1.28 2.75 -0.23 0.00 2.07 -0.30 -1.46 121.20 122.75 2guc s ILE 32 Ca -0.08 -1.11 0.02 0.00 -1.41 0.00 0.00 60.65 58.07 2guc s ILE 32 Cb -0.00 -2.13 0.05 0.00 0.13 0.00 0.00 42.46 40.51 2guc s ILE 32 CO 0.07 0.40 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.74 2guc s ILE 33 N -0.86 1.96 -0.20 2.00 1.09 0.35 -0.64 121.20 124.90 2guc s ILE 33 Ca 0.14 -1.30 -0.00 0.00 -1.10 0.00 0.00 60.65 58.38 2guc s ILE 33 Cb -0.10 -2.01 0.02 0.00 -1.06 0.00 0.00 42.46 39.30 2guc s ILE 33 CO 0.04 0.13 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.23 2guc s ILE 34 N 1.24 2.42 -1.53 2.92 1.01 -0.43 -1.21 121.20 125.62 2guc s ILE 34 Ca -0.04 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.58 2guc s ILE 34 Cb -0.17 -2.08 0.09 0.00 0.01 0.00 0.00 42.46 40.30 2guc s ILE 34 CO -0.08 0.45 0.93 0.47 0.00 0.00 0.00 174.94 176.72 2guc n ASP 35 N 4.65 -4.77 0.00 3.58 8.00 0.00 -1.34 116.55 126.68 2guc n ASP 35 Ca -0.20 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.56 2guc n ASP 35 Cb 0.49 -3.81 0.00 0.00 -0.02 0.00 0.00 41.12 37.78 2guc n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2guc n GLY 36 N -1.64 2.60 3.64 0.44 0.00 -1.26 -4.97 105.19 104.00 2guc n GLY 36 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2guc n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2guc s VAL 37 N -2.38 4.98 0.08 1.61 1.01 -0.45 -5.02 120.40 120.23 2guc s VAL 37 Ca 0.00 1.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.90 2guc s VAL 37 Cb 0.00 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2guc s VAL 37 CO 0.00 0.05 0.94 -2.28 0.00 0.00 0.00 175.10 173.81 2guc s HIS 38 N 2.31 3.77 -0.13 5.22 2.46 -1.26 -1.31 115.29 126.35 2guc s HIS 38 Ca 0.28 1.74 -0.01 0.00 0.47 0.00 0.00 55.06 57.54 2guc s HIS 38 Cb -0.16 -3.04 0.04 0.00 -0.13 0.00 0.00 32.58 29.29 2guc s HIS 38 CO 0.09 0.17 -0.03 -1.01 -2.47 0.00 0.00 174.74 171.50 2guc s HIS 39 N 0.19 1.20 -1.81 3.88 3.76 0.19 -5.00 115.29 117.71 2guc s HIS 39 Ca 0.47 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.71 2guc s HIS 39 Cb -0.22 -1.08 0.00 0.00 1.11 0.00 0.00 32.58 32.38 2guc s HIS 39 CO 0.29 -0.50 0.00 0.41 -0.85 0.00 0.00 174.74 174.09 2guc n GLY 40 N 5.01 0.67 0.00 -2.22 0.00 -1.26 -1.15 105.19 106.24 2guc n GLY 40 Ca -0.10 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.82 2guc n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2guc n GLY 41 N 0.00 1.43 0.48 -0.02 0.00 0.09 -4.81 105.19 102.36 2guc n GLY 41 Ca 0.00 -2.05 0.04 0.00 0.00 0.00 0.00 46.02 44.01 2guc n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2guc n SER 42 N -3.00 2.73 -3.69 1.61 3.41 -1.26 -4.60 113.62 108.81 2guc n SER 42 Ca 0.00 -2.06 -0.28 0.00 -0.26 0.00 0.00 58.87 56.27 2guc n SER 42 Cb 0.00 -0.19 0.20 0.00 -0.26 0.00 0.00 64.21 63.96 2guc n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2guc n GLY 43 N 0.18 -1.82 7.00 5.00 0.00 -1.26 -4.94 105.19 109.35 2guc n GLY 43 Ca 0.09 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2guc n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2guc n GLY 44 N -3.42 0.26 3.27 -0.02 0.00 -1.26 -4.49 105.19 99.53 2guc n GLY 44 Ca 0.15 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 2guc n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2guc s ASN 45 N -4.00 2.58 -0.11 1.61 0.01 -0.00 -4.79 114.94 110.24 2guc s ASN 45 Ca 0.00 -0.54 -0.28 0.00 -0.71 0.00 0.00 52.86 51.33 2guc s ASN 45 Cb 0.00 -0.21 -0.02 0.00 0.41 0.00 0.00 41.25 41.43 2guc s ASN 45 CO 0.00 0.17 0.92 -0.22 -1.51 0.00 0.00 177.10 176.45 2guc s LEU 46 N -1.24 4.25 0.75 0.60 2.96 -1.26 -1.16 118.68 123.57 2guc s LEU 46 Ca 0.08 1.40 -0.11 0.00 -0.22 0.00 0.00 54.13 55.28 2guc s LEU 46 Cb -0.09 -3.41 0.04 0.00 0.50 0.00 0.00 46.19 43.23 2guc s LEU 46 CO 0.02 -0.37 1.08 -0.94 -1.32 0.00 0.00 176.35 174.82 2guc s SER 47 N 1.07 4.86 1.00 3.68 1.04 0.78 -5.00 113.70 121.13 2guc s SER 47 Ca 0.45 1.51 -0.11 0.00 0.48 0.00 0.00 55.95 58.27 2guc s SER 47 Cb -0.18 -2.30 0.19 0.00 0.10 0.00 0.00 66.02 63.83 2guc s SER 47 CO 0.17 -1.76 1.09 -2.84 0.98 0.00 0.00 173.24 170.88 2guc s PRO 48 N -5.07 0.37 -0.07 4.02 0.02 -1.26 -4.64 135.00 128.37 2guc s PRO 48 Ca 0.60 1.08 -0.19 0.00 0.02 0.00 0.00 61.00 62.51 2guc s PRO 48 Cb -0.15 -1.69 -0.05 0.00 0.02 0.00 0.00 34.50 32.64 2guc s PRO 48 CO 0.55 -2.92 0.51 0.99 -0.33 0.00 0.00 177.00 175.80 2guc s THR 49 N -2.66 5.09 -0.34 0.99 2.01 -1.26 -4.62 115.64 114.85 2guc s THR 49 Ca 0.66 1.04 -0.17 0.00 0.31 0.00 0.00 61.69 63.54 2guc s THR 49 Cb -0.22 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 2guc s THR 49 CO 0.60 0.37 0.44 0.12 -0.69 0.00 0.00 174.62 175.47 2guc s PHE 50 N 0.23 3.20 -0.23 4.92 2.19 0.45 -4.97 117.98 123.77 2guc s PHE 50 Ca 0.28 0.12 -0.07 0.00 0.33 0.00 0.00 56.93 57.58 2guc s PHE 50 Cb -0.16 -2.80 -0.03 0.00 -1.31 0.00 0.00 43.02 38.72 2guc s PHE 50 CO 0.13 -0.47 0.06 0.99 1.83 0.00 0.00 175.22 177.76 2guc s THR 51 N 2.22 4.43 0.13 0.12 2.01 -1.26 -1.21 115.64 122.08 2guc s THR 51 Ca 0.16 -0.14 -0.31 0.00 0.31 0.00 0.00 61.69 61.71 2guc s THR 51 Cb -0.16 -3.05 -0.08 0.00 0.01 0.00 0.00 72.50 69.22 2guc s THR 51 CO 0.12 0.38 1.39 -0.36 -0.69 0.00 0.00 174.62 175.46 2guc s PHE 52 N 1.22 3.23 1.03 4.92 0.08 -0.18 -5.01 117.98 123.26 2guc s PHE 52 Ca 0.05 0.97 -0.17 0.00 0.12 0.00 0.00 56.93 57.90 2guc s PHE 52 Cb -0.14 -3.69 0.22 0.00 -0.57 0.00 0.00 43.02 38.84 2guc s PHE 52 CO 0.03 -2.38 1.23 0.20 -0.10 0.00 0.00 175.22 174.20 2guc s GLY 53 N 1.00 1.69 0.15 4.36 0.00 -1.26 -4.92 107.32 108.33 2guc s GLY 53 Ca 0.64 -1.03 -0.32 0.00 0.00 0.00 0.00 44.72 44.00 2guc s GLY 53 CO 0.31 -0.26 1.73 -1.26 0.00 0.00 0.00 173.10 173.62 2guc n SER 54 N -4.07 3.73 -0.39 1.64 2.88 -1.26 -1.85 113.62 114.29 2guc n SER 54 Ca 0.13 1.04 -0.05 0.00 -1.33 0.00 0.00 58.87 58.66 2guc n SER 54 Cb 0.59 -1.51 -0.02 0.00 -0.75 0.00 0.00 64.21 62.52 2guc n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2guc n GLY 55 N 3.92 0.72 3.69 0.46 0.00 -1.26 -5.00 105.19 107.72 2guc n GLY 55 Ca 0.17 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2guc n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2guc s GLU 56 N -1.93 3.78 0.07 1.61 2.12 -0.77 -4.97 118.70 118.62 2guc s GLU 56 Ca 0.00 -0.30 -0.09 0.00 0.36 0.00 0.00 54.97 54.94 2guc s GLU 56 Cb 0.00 -3.18 -0.00 0.00 0.26 0.00 0.00 34.13 31.21 2guc s GLU 56 CO 0.00 0.42 0.19 1.52 -0.54 0.00 0.00 175.26 176.84 2guc s TYR 57 N -0.03 0.12 -0.02 5.30 -0.85 -1.26 -4.66 117.35 115.95 2guc s TYR 57 Ca 0.07 -0.47 -0.30 0.00 -0.52 0.00 0.00 57.07 55.85 2guc s TYR 57 Cb -0.12 -0.06 -0.06 0.00 0.38 0.00 0.00 41.96 42.11 2guc s TYR 57 CO 0.01 -0.49 1.55 0.42 -1.52 0.00 0.00 175.55 175.51 2guc s ILE 58 N -3.35 3.56 -0.07 -3.49 1.01 -1.26 -1.56 121.20 116.04 2guc s ILE 58 Ca 0.01 0.84 0.17 0.00 0.00 0.00 0.00 60.65 61.68 2guc s ILE 58 Cb 0.03 -3.54 -0.26 0.00 0.01 0.00 0.00 42.46 38.69 2guc s ILE 58 CO -0.08 -0.04 0.29 -1.54 0.00 0.00 0.00 174.94 173.57 2guc n SER 59 N 6.25 0.77 -3.80 3.58 3.41 -0.11 -1.33 113.62 122.38 2guc n SER 59 Ca 0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.64 2guc n SER 59 Cb 0.43 1.54 -0.09 0.00 -0.26 0.00 0.00 64.21 65.83 2guc n SER 59 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2guc s ASN 60 N -4.45 -0.11 -0.14 4.04 2.20 -1.00 -1.35 114.94 114.13 2guc s ASN 60 Ca -0.07 -0.02 -0.16 0.00 -0.94 0.00 0.00 52.86 51.66 2guc s ASN 60 Cb 0.10 0.28 0.04 0.00 -2.00 0.00 0.00 41.25 39.66 2guc s ASN 60 CO 0.75 -0.41 0.44 0.00 -2.94 0.00 0.00 177.10 174.93 2guc s MET 61 N -1.32 0.57 -0.13 3.55 0.23 -0.28 -1.69 119.30 120.24 2guc s MET 61 Ca -0.14 0.47 0.02 0.00 -1.03 0.00 0.00 55.69 55.01 2guc s MET 61 Cb -0.06 0.27 0.02 0.00 -1.53 0.00 0.00 34.83 33.53 2guc s MET 61 CO 0.03 -0.10 -0.18 0.99 -2.03 0.00 0.00 175.02 173.74 2guc s THR 62 N -0.09 1.74 -0.14 3.16 2.01 0.35 -0.21 115.64 122.47 2guc s THR 62 Ca -0.03 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.22 2guc s THR 62 Cb -0.03 -1.58 0.01 0.00 0.01 0.00 0.00 72.50 70.91 2guc s THR 62 CO 0.02 0.49 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.61 2guc s ILE 63 N 1.07 1.91 -0.10 1.82 1.01 -0.43 -0.84 121.20 125.65 2guc s ILE 63 Ca -0.03 -0.88 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 2guc s ILE 63 Cb -0.14 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 2guc s ILE 63 CO -0.05 0.52 0.42 -0.13 0.00 0.00 0.00 174.94 175.71 2guc s ARG 64 N 0.93 4.22 0.11 2.79 0.52 -0.52 -1.34 118.95 125.66 2guc s ARG 64 Ca -0.05 0.37 -0.14 0.00 -0.52 0.00 0.00 55.73 55.39 2guc s ARG 64 Cb -0.15 -3.38 0.02 0.00 0.52 0.00 0.00 34.95 31.96 2guc s ARG 64 CO -0.03 0.31 0.33 -1.54 0.02 0.00 0.00 175.30 174.39 2guc s SER 65 N 0.16 -0.12 0.00 0.23 1.04 -0.13 -0.58 113.70 114.30 2guc s SER 65 Ca 0.23 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2guc s SER 65 Cb -0.15 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2guc s SER 65 CO 0.10 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.12 2guc n GLY 66 N -0.14 2.73 0.27 7.32 0.00 -1.26 -1.64 105.19 112.47 2guc n GLY 66 Ca -0.16 -0.16 0.16 0.00 0.00 0.00 0.00 46.02 45.86 2guc n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2guc h ASP 67 N 0.00 0.00 -4.10 1.61 3.32 -2.00 -3.46 116.42 111.79 2guc h ASP 67 Ca 0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 2guc h ASP 67 Cb 0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 2guc h ASP 67 CO 0.00 0.02 -0.31 -1.22 -1.72 0.00 0.00 179.24 176.01 2guc n TYR 68 N -3.12 0.12 -3.16 4.55 4.01 -1.26 -4.77 117.16 113.53 2guc n TYR 68 Ca 0.01 -1.74 -0.41 0.00 -0.16 0.00 0.00 57.90 55.59 2guc n TYR 68 Cb 0.35 -0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.30 2guc n TYR 68 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2guc s ILE 69 N -2.55 4.95 0.04 -0.72 -1.09 0.11 -4.46 121.20 117.48 2guc s ILE 69 Ca 0.13 0.61 -0.10 0.00 -2.23 0.00 0.00 60.65 59.06 2guc s ILE 69 Cb 0.01 -4.01 -0.32 0.00 -1.58 0.00 0.00 42.46 36.56 2guc s ILE 69 CO 0.09 -0.21 1.03 0.44 -1.23 0.00 0.00 174.94 175.07 2guc h ASP 70 N 8.36 0.65 -4.55 3.58 5.19 -1.17 -0.70 116.42 127.78 2guc h ASP 70 Ca -0.27 -0.71 -0.07 0.00 -0.62 0.00 0.00 57.03 55.36 2guc h ASP 70 Cb 1.12 -0.21 -0.20 0.00 0.18 0.00 0.00 39.33 40.21 2guc h ASP 70 CO 0.80 1.56 0.07 0.21 -3.12 0.00 0.00 179.24 178.76 2guc s ASN 71 N -7.37 -0.61 0.01 6.45 3.84 -0.86 -0.89 114.94 115.51 2guc s ASN 71 Ca -0.07 0.90 0.04 0.00 0.21 0.00 0.00 52.86 53.93 2guc s ASN 71 Cb 0.05 0.85 -0.01 0.00 -0.55 0.00 0.00 41.25 41.59 2guc s ASN 71 CO 0.91 -0.42 -0.11 -0.51 -2.79 0.00 0.00 177.10 174.18 2guc s ILE 72 N -0.53 0.88 0.01 -5.21 2.07 -0.53 -1.43 121.20 116.45 2guc s ILE 72 Ca -0.06 -0.67 0.00 0.00 -1.41 0.00 0.00 60.65 58.50 2guc s ILE 72 Cb -0.03 -0.77 -0.01 0.00 0.13 0.00 0.00 42.46 41.78 2guc s ILE 72 CO 0.05 0.10 -0.02 -0.55 -1.91 0.00 0.00 174.94 172.62 2guc s SER 73 N -0.65 0.14 0.07 4.50 0.15 -0.02 -1.13 113.70 116.77 2guc s SER 73 Ca 0.02 -0.27 -0.12 0.00 0.70 0.00 0.00 55.95 56.28 2guc s SER 73 Cb -0.06 0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.32 2guc s SER 73 CO 0.00 -0.16 0.26 0.72 1.20 0.00 0.00 173.24 175.26 2guc s PHE 74 N -0.79 0.00 0.00 3.44 -0.12 -0.54 -0.50 117.98 119.48 2guc s PHE 74 Ca -0.09 -0.29 0.04 0.00 -0.05 0.00 0.00 56.93 56.55 2guc s PHE 74 Cb -0.05 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.37 2guc s PHE 74 CO -0.01 -0.54 -0.14 -2.00 -0.05 0.00 0.00 175.22 172.49 2guc s GLU 75 N -3.24 1.07 0.44 1.99 2.12 -0.68 -0.23 118.70 120.17 2guc s GLU 75 Ca -0.00 -0.56 0.04 0.00 0.36 0.00 0.00 54.97 54.81 2guc s GLU 75 Cb 0.02 -1.04 0.01 0.00 0.26 0.00 0.00 34.13 33.37 2guc s GLU 75 CO -0.08 0.28 0.62 0.95 -0.54 0.00 0.00 175.26 176.49 2guc s THR 76 N -0.45 3.38 0.61 -1.70 -4.23 -0.04 -0.94 115.64 112.27 2guc s THR 76 Ca 0.04 -0.81 0.29 0.00 -1.18 0.00 0.00 61.69 60.03 2guc s THR 76 Cb -0.06 -3.20 0.36 0.00 1.34 0.00 0.00 72.50 70.94 2guc s THR 76 CO -0.00 -0.11 1.93 -0.55 -0.54 0.00 0.00 174.62 175.36 2guc h ASN 77 N 0.51 0.00 -0.02 3.99 -1.07 -1.62 -0.18 115.58 117.19 2guc h ASN 77 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.94 2guc h ASN 77 Cb 1.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 2guc h ASN 77 CO 0.51 0.00 0.00 0.23 0.07 0.00 0.00 177.43 178.24 2guc n MET 78 N -3.55 1.34 -1.07 4.14 2.81 -1.26 -4.91 117.12 114.62 2guc n MET 78 Ca 0.05 -0.50 -0.02 0.00 -1.81 0.00 0.00 57.70 55.42 2guc n MET 78 Cb 0.55 -1.47 -0.01 0.00 -0.71 0.00 0.00 33.22 31.58 2guc n MET 78 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2guc n GLY 79 N 1.07 0.56 3.82 3.03 0.00 -0.08 -5.04 105.19 108.57 2guc n GLY 79 Ca 0.21 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 2guc n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2guc s ARG 80 N -1.39 4.19 -0.01 1.61 0.52 -1.26 -4.81 118.95 117.81 2guc s ARG 80 Ca 0.00 0.88 0.08 0.00 -0.52 0.00 0.00 55.73 56.17 2guc s ARG 80 Cb 0.00 -2.60 -0.02 0.00 0.52 0.00 0.00 34.95 32.85 2guc s ARG 80 CO 0.00 0.23 -0.25 1.03 0.02 0.00 0.00 175.30 176.33 2guc s ARG 81 N -2.54 1.98 -0.13 3.54 0.52 -1.26 -0.86 118.95 120.21 2guc s ARG 81 Ca 0.51 -0.92 0.02 0.00 -0.52 0.00 0.00 55.73 54.82 2guc s ARG 81 Cb -0.13 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.39 2guc s ARG 81 CO 0.19 0.53 -0.21 0.12 0.02 0.00 0.00 175.30 175.95 2guc s PHE 82 N -0.62 2.66 0.00 -0.53 5.36 0.68 -4.99 117.98 120.54 2guc s PHE 82 Ca 0.10 -1.10 0.00 0.00 -0.96 0.00 0.00 56.93 54.97 2guc s PHE 82 Cb -0.10 -1.79 0.00 0.00 -0.34 0.00 0.00 43.02 40.79 2guc s PHE 82 CO -0.01 -0.47 0.00 0.41 -1.46 0.00 0.00 175.22 173.70 2guc n GLY 83 N 3.79 -1.92 3.77 13.12 0.00 -1.26 -1.46 105.19 121.22 2guc n GLY 83 Ca -0.19 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 2guc n GLY 83 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2guc s PRO 84 N 0.00 3.67 -0.01 1.61 0.02 -1.26 -4.88 135.00 134.16 2guc s PRO 84 Ca 0.00 2.40 0.05 0.00 0.02 0.00 0.00 61.00 63.47 2guc s PRO 84 Cb 0.00 -2.64 -0.01 0.00 0.02 0.00 0.00 34.50 31.87 2guc s PRO 84 CO 0.00 -0.83 -0.17 0.71 -0.33 0.00 0.00 177.00 176.39 2guc s TYR 85 N -1.21 1.50 0.00 6.54 2.02 -0.28 -4.99 117.35 120.93 2guc s TYR 85 Ca 0.61 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 2guc s TYR 85 Cb -0.43 -0.95 0.00 0.00 -0.40 0.00 0.00 41.96 40.17 2guc s TYR 85 CO 0.56 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.93 2guc n GLY 86 N 2.56 -0.43 0.00 0.71 0.00 -1.26 -1.45 105.19 105.32 2guc n GLY 86 Ca -0.15 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.72 2guc n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2guc n GLY 87 N 0.00 3.14 0.56 -0.02 0.00 -0.06 -4.78 105.19 104.02 2guc n GLY 87 Ca 0.00 -2.13 0.06 0.00 0.00 0.00 0.00 46.02 43.95 2guc n GLY 87 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2guc n SER 88 N -1.68 2.39 -3.24 1.61 7.64 -1.26 -4.51 113.62 114.56 2guc n SER 88 Ca 0.00 -1.70 -0.20 0.00 1.01 0.00 0.00 58.87 57.99 2guc n SER 88 Cb 0.00 -0.10 0.15 0.00 -1.01 0.00 0.00 64.21 63.25 2guc n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2guc n GLY 89 N 0.64 -1.78 7.00 0.23 0.00 -1.26 -4.94 105.19 105.08 2guc n GLY 89 Ca 0.09 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2guc n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2guc n GLY 90 N -1.26 -0.81 3.05 -0.02 0.00 -1.26 -4.57 105.19 100.31 2guc n GLY 90 Ca 0.11 -1.18 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 2guc n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2guc s SER 91 N -4.00 0.28 -0.02 1.61 0.15 -0.65 -4.84 113.70 106.22 2guc s SER 91 Ca 0.00 -0.62 -0.07 0.00 0.70 0.00 0.00 55.95 55.96 2guc s SER 91 Cb 0.00 0.16 -0.05 0.00 -1.71 0.00 0.00 66.02 64.43 2guc s SER 91 CO 0.00 -0.43 0.24 0.00 1.20 0.00 0.00 173.24 174.25 2guc s ALA 92 N -2.37 3.86 0.01 5.45 0.00 -1.26 -0.95 121.76 126.51 2guc s ALA 92 Ca -0.07 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.30 2guc s ALA 92 Cb -0.03 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.04 2guc s ALA 92 CO -0.04 0.65 -0.05 -0.80 0.00 0.00 0.00 175.76 175.52 2guc s ASN 93 N -1.54 0.50 -0.01 0.00 0.01 -0.45 -4.99 114.94 108.45 2guc s ASN 93 Ca 0.24 -0.28 0.06 0.00 -0.71 0.00 0.00 52.86 52.17 2guc s ASN 93 Cb -0.13 0.00 -0.02 0.00 0.41 0.00 0.00 41.25 41.52 2guc s ASN 93 CO 0.14 -0.09 -0.18 -0.89 -1.51 0.00 0.00 177.10 174.56 2guc s THR 94 N -0.70 1.46 -0.12 1.60 2.01 -1.26 -1.31 115.64 117.32 2guc s THR 94 Ca -0.05 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 2guc s THR 94 Cb -0.05 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 2guc s THR 94 CO -0.00 0.37 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.53 2guc s LEU 95 N -0.53 3.41 0.05 4.42 1.43 0.71 -4.97 118.68 123.19 2guc s LEU 95 Ca 0.07 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 2guc s LEU 95 Cb -0.07 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2guc s LEU 95 CO -0.00 0.27 -0.07 -0.94 0.23 0.00 0.00 176.35 175.83 2guc s SER 96 N -0.21 0.85 -1.35 2.29 1.04 -1.26 -1.12 113.70 113.94 2guc s SER 96 Ca 0.05 -0.63 -0.03 0.00 0.48 0.00 0.00 55.95 55.82 2guc s SER 96 Cb -0.13 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.06 2guc s SER 96 CO 0.02 -0.26 0.74 0.59 0.98 0.00 0.00 173.24 175.32 2guc n ASN 97 N 1.21 -1.82 -4.76 7.02 3.02 -0.78 -4.75 115.26 114.40 2guc n ASN 97 Ca -0.21 -0.82 -0.26 0.00 -0.03 0.00 0.00 54.58 53.26 2guc n ASN 97 Cb 0.56 -4.00 -0.06 0.00 -0.61 0.00 0.00 39.78 35.66 2guc n ASN 97 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2guc s VAL 98 N -3.61 2.02 -0.26 2.41 -7.23 -0.46 -0.50 120.40 112.77 2guc s VAL 98 Ca 0.13 -1.72 -0.01 0.00 -1.81 0.00 0.00 61.98 58.57 2guc s VAL 98 Cb -0.06 -2.74 0.08 0.00 0.56 0.00 0.00 36.38 34.22 2guc s VAL 98 CO 0.82 0.00 0.04 -0.75 -0.31 0.00 0.00 175.10 174.90 2guc s LYS 99 N -3.95 0.94 0.09 4.82 2.20 0.29 -4.02 119.74 120.10 2guc s LYS 99 Ca 0.35 -0.90 -0.31 0.00 -0.36 0.00 0.00 55.97 54.75 2guc s LYS 99 Cb 0.03 -2.22 -0.07 0.00 -1.51 0.00 0.00 37.83 34.06 2guc s LYS 99 CO 0.19 -0.79 1.30 0.08 -0.36 0.00 0.00 175.35 175.77 2guc s VAL 100 N 1.60 3.65 -0.26 4.02 1.01 -0.45 -1.32 120.40 128.66 2guc s VAL 100 Ca 0.03 1.18 0.03 0.00 0.00 0.00 0.00 61.98 63.22 2guc s VAL 100 Cb -0.18 -3.76 -0.18 0.00 0.00 0.00 0.00 36.38 32.27 2guc s VAL 100 CO -0.15 0.09 -0.21 -0.38 0.00 0.00 0.00 175.10 174.45 2guc n ILE 101 N 3.95 1.48 -3.54 2.22 2.08 0.68 -4.59 119.36 121.64 2guc n ILE 101 Ca 0.10 -0.59 -0.15 0.00 0.56 0.00 0.00 62.75 62.67 2guc n ILE 101 Cb 0.44 -1.35 -0.05 0.00 -0.75 0.00 0.00 39.64 37.93 2guc n ILE 101 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2guc s GLN 102 N -2.52 1.07 -0.16 0.38 2.00 -0.95 -4.67 119.66 114.81 2guc s GLN 102 Ca -0.33 -0.08 0.00 0.00 -2.00 0.00 0.00 55.36 52.95 2guc s GLN 102 Cb 0.09 0.50 0.03 0.00 0.80 0.00 0.00 33.01 34.42 2guc s GLN 102 CO 0.62 -0.38 -0.11 0.42 -0.50 0.00 0.00 175.29 175.34 2guc s ILE 103 N -2.12 1.43 0.56 -2.34 1.01 -1.26 -1.45 121.20 117.03 2guc s ILE 103 Ca -0.07 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 59.98 2guc s ILE 103 Cb -0.01 -1.43 0.05 0.00 0.01 0.00 0.00 42.46 41.08 2guc s ILE 103 CO 0.01 0.33 0.43 0.20 0.00 0.00 0.00 174.94 175.91 2guc s ASN 104 N 1.52 4.61 0.00 3.58 0.01 -0.25 -4.97 114.94 119.45 2guc s ASN 104 Ca 0.03 -1.30 0.00 0.00 -0.71 0.00 0.00 52.86 50.88 2guc s ASN 104 Cb -0.14 0.56 0.00 0.00 0.41 0.00 0.00 41.25 42.08 2guc s ASN 104 CO -0.09 -1.18 0.00 0.61 -1.51 0.00 0.00 177.10 174.92 2guc n GLY 105 N -1.82 -0.85 2.99 0.66 0.00 -1.26 -0.08 105.19 104.82 2guc n GLY 105 Ca -0.02 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 2guc n GLY 105 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2guc s SER 106 N -4.00 -0.04 -0.04 1.61 0.15 -0.76 -4.93 113.70 105.69 2guc s SER 106 Ca 0.00 0.04 -0.17 0.00 0.70 0.00 0.00 55.95 56.53 2guc s SER 106 Cb 0.00 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.52 2guc s SER 106 CO 0.00 -0.12 0.36 0.00 1.20 0.00 0.00 173.24 174.68 2guc s ALA 107 N -0.36 -0.92 0.00 5.45 0.00 -1.26 -1.21 121.76 123.46 2guc s ALA 107 Ca -0.04 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.46 2guc s ALA 107 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2guc s ALA 107 CO 0.00 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.91 2guc n GLY 108 N 1.44 2.37 0.17 0.00 0.00 -1.26 -4.75 105.19 103.16 2guc n GLY 108 Ca -0.20 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.64 2guc n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2guc h ASP 109 N 0.00 0.00 -2.33 1.61 3.32 -1.89 -2.98 116.42 114.14 2guc h ASP 109 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 2guc h ASP 109 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 2guc h ASP 109 CO 0.00 0.42 -0.51 -0.31 -1.72 0.00 0.00 179.24 177.12 2guc s TYR 110 N -3.49 1.81 -0.52 4.55 2.02 -1.26 -2.18 117.35 118.29 2guc s TYR 110 Ca 0.01 -1.19 -0.25 0.00 -0.37 0.00 0.00 57.07 55.26 2guc s TYR 110 Cb 0.10 -1.29 0.03 0.00 -0.40 0.00 0.00 41.96 40.41 2guc s TYR 110 CO 0.70 -0.15 0.96 -1.17 -1.57 0.00 0.00 175.55 174.33 2guc s LEU 111 N -3.69 3.99 -0.01 -1.29 2.96 -0.01 -4.46 118.68 116.17 2guc s LEU 111 Ca 0.18 -0.11 -0.20 0.00 -0.22 0.00 0.00 54.13 53.79 2guc s LEU 111 Cb 0.02 -3.02 -0.29 0.00 0.50 0.00 0.00 46.19 43.41 2guc s LEU 111 CO 0.11 -1.18 0.99 0.44 -1.32 0.00 0.00 176.35 175.39 2guc h ASP 112 N 9.24 0.58 -5.08 3.68 5.19 -1.47 0.35 116.42 128.91 2guc h ASP 112 Ca -0.25 -0.88 -0.07 0.00 -0.62 0.00 0.00 57.03 55.21 2guc h ASP 112 Cb 1.07 -0.18 -0.15 0.00 0.18 0.00 0.00 39.33 40.25 2guc h ASP 112 CO 1.07 1.40 -0.17 -0.94 -3.12 0.00 0.00 179.24 177.49 2guc s SER 113 N -7.02 -0.16 -0.02 6.45 1.04 -0.92 -3.51 113.70 109.56 2guc s SER 113 Ca -0.12 -0.30 0.05 0.00 0.48 0.00 0.00 55.95 56.06 2guc s SER 113 Cb 0.03 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 2guc s SER 113 CO 0.85 -0.75 -0.18 -0.76 0.98 0.00 0.00 173.24 173.38 2guc s LEU 114 N -2.53 2.01 -0.33 2.42 1.43 -1.26 -1.83 118.68 118.58 2guc s LEU 114 Ca 0.00 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 2guc s LEU 114 Cb 0.01 -0.95 0.06 0.00 0.03 0.00 0.00 46.19 45.35 2guc s LEU 114 CO -0.09 0.21 0.06 -1.81 0.23 0.00 0.00 176.35 174.95 2guc s ASP 115 N -0.31 5.04 -0.24 2.29 1.01 0.88 -4.92 116.67 120.42 2guc s ASP 115 Ca 0.04 -1.39 -0.13 0.00 0.71 0.00 0.00 52.55 51.79 2guc s ASP 115 Cb -0.08 -1.76 -0.05 0.00 1.01 0.00 0.00 42.92 42.04 2guc s ASP 115 CO 0.00 -0.32 0.25 -0.63 0.21 0.00 0.00 175.17 174.68 2guc s ILE 116 N 1.26 5.28 -0.19 0.77 -1.09 -1.26 -1.09 121.20 124.88 2guc s ILE 116 Ca -0.02 0.36 -0.07 0.00 -2.23 0.00 0.00 60.65 58.69 2guc s ILE 116 Cb -0.20 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 2guc s ILE 116 CO -0.01 0.27 0.06 -0.31 -1.23 0.00 0.00 174.94 173.73 2guc s TYR 117 N 1.42 3.23 0.19 3.97 1.51 -0.53 -5.02 117.35 122.11 2guc s TYR 117 Ca 0.11 0.02 -0.19 0.00 -1.01 0.00 0.00 57.07 56.00 2guc s TYR 117 Cb -0.15 -2.09 0.04 0.00 -0.11 0.00 0.00 41.96 39.65 2guc s TYR 117 CO 0.07 0.09 0.55 1.52 -1.11 0.00 0.00 175.55 176.68 2guc s TYR 118 N 0.51 -0.25 -0.20 2.71 1.13 -1.26 -0.23 117.35 119.76 2guc s TYR 118 Ca 0.03 -0.06 -0.09 0.00 -1.41 0.00 0.00 57.07 55.54 2guc s TYR 118 Cb -0.13 0.46 -0.05 0.00 -1.10 0.00 0.00 41.96 41.14 2guc s TYR 118 CO 0.01 -0.90 0.11 -1.21 -2.51 0.00 0.00 175.55 171.04 2guc s GLU 119 N -3.84 4.12 -0.27 -3.49 2.02 -0.44 -4.92 118.70 111.89 2guc s GLU 119 Ca 0.06 -0.26 -0.12 0.00 0.02 0.00 0.00 54.97 54.67 2guc s GLU 119 Cb -0.01 -3.36 -0.05 0.00 0.10 0.00 0.00 34.13 30.81 2guc s GLU 119 CO -0.06 0.28 0.25 -1.14 0.02 0.00 0.00 175.26 174.62 2guc s GLN 120 N 0.39 3.99 0.00 1.61 2.00 -1.26 -0.54 119.66 125.84 2guc s GLN 120 Ca 0.06 -0.18 0.22 0.00 -2.00 0.00 0.00 55.36 53.47 2guc s GLN 120 Cb -0.12 -3.64 0.18 0.00 0.80 0.00 0.00 33.01 30.23 2guc s GLN 120 CO -0.01 -0.18 1.20 0.66 -0.50 0.00 0.00 175.29 176.46