#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtz n ILE 1 N 0.00 0.44 -4.05 1.12 5.41 -1.26 -5.02 119.36 116.00 2gtz n ILE 1 Ca 0.00 -0.11 -0.16 0.00 1.00 0.00 0.00 62.75 63.48 2gtz n ILE 1 Cb 0.00 -1.34 -0.15 0.00 -0.71 0.00 0.00 39.64 37.44 2gtz n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2gtz s GLN 2 N 0.23 0.37 -0.03 0.38 -0.21 -1.26 -4.48 119.66 114.65 2gtz s GLN 2 Ca 0.75 -0.07 0.03 0.00 0.02 0.00 0.00 55.36 56.09 2gtz s GLN 2 Cb -0.72 -0.42 0.00 0.00 1.00 0.00 0.00 33.01 32.87 2gtz s GLN 2 CO 0.45 0.00 -0.13 1.03 -2.12 0.00 0.00 175.29 174.53 2gtz s ARG 3 N 0.34 1.31 0.17 2.91 0.52 0.58 -4.92 118.95 119.86 2gtz s ARG 3 Ca -0.03 -0.44 -0.30 0.00 -0.52 0.00 0.00 55.73 54.44 2gtz s ARG 3 Cb -0.07 -1.18 -0.07 0.00 0.52 0.00 0.00 34.95 34.15 2gtz s ARG 3 CO -0.01 0.17 0.94 0.99 0.02 0.00 0.00 175.30 177.41 2gtz s THR 4 N 0.12 4.30 0.32 0.02 2.01 -1.26 -1.75 115.64 119.39 2gtz s THR 4 Ca -0.03 2.05 -0.29 0.00 0.31 0.00 0.00 61.69 63.73 2gtz s THR 4 Cb -0.10 -4.31 -0.10 0.00 0.01 0.00 0.00 72.50 68.00 2gtz s THR 4 CO 0.01 0.42 1.35 -2.16 -0.69 0.00 0.00 174.62 173.55 2gtz s PRO 5 N -0.62 4.31 -0.27 4.92 0.04 -1.26 -4.28 135.00 137.84 2gtz s PRO 5 Ca 0.43 2.27 -0.14 0.00 0.04 0.00 0.00 61.00 63.61 2gtz s PRO 5 Cb -0.24 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 2gtz s PRO 5 CO 0.30 -0.28 0.32 0.15 0.04 0.00 0.00 177.00 177.54 2gtz s LYS 6 N -1.52 4.00 -0.16 4.56 3.01 0.47 -4.92 119.74 125.18 2gtz s LYS 6 Ca 0.51 -0.06 -0.01 0.00 -1.01 0.00 0.00 55.97 55.40 2gtz s LYS 6 Cb -0.41 -3.65 -0.01 0.00 -1.01 0.00 0.00 37.83 32.75 2gtz s LYS 6 CO 0.52 -0.24 -0.11 0.42 0.51 0.00 0.00 175.35 176.44 2gtz s ILE 7 N 1.97 3.07 -0.06 2.17 1.01 -1.26 -1.75 121.20 126.36 2gtz s ILE 7 Ca 0.13 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.18 2gtz s ILE 7 Cb -0.16 -2.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.99 2gtz s ILE 7 CO 0.10 0.50 -0.18 -1.10 0.00 0.00 0.00 174.94 174.26 2gtz s GLN 8 N 0.72 2.01 -0.11 2.79 -0.21 -0.28 -4.99 119.66 119.59 2gtz s GLN 8 Ca -0.05 -0.64 0.03 0.00 0.02 0.00 0.00 55.36 54.72 2gtz s GLN 8 Cb -0.15 -1.68 0.00 0.00 1.00 0.00 0.00 33.01 32.17 2gtz s GLN 8 CO 0.02 0.21 -0.23 0.08 -2.12 0.00 0.00 175.29 173.25 2gtz s VAL 9 N 0.16 2.14 0.07 1.09 1.01 -1.26 -0.57 120.40 123.04 2gtz s VAL 9 Ca -0.08 -0.98 -0.27 0.00 0.00 0.00 0.00 61.98 60.65 2gtz s VAL 9 Cb -0.13 -1.83 0.08 0.00 0.00 0.00 0.00 36.38 34.50 2gtz s VAL 9 CO 0.03 0.56 0.87 -0.72 0.00 0.00 0.00 175.10 175.84 2gtz s TYR 10 N 0.40 -0.30 0.12 5.22 1.13 -0.53 -4.62 117.35 118.77 2gtz s TYR 10 Ca -0.17 0.09 -0.03 0.00 -1.41 0.00 0.00 57.07 55.56 2gtz s TYR 10 Cb -0.18 0.58 -0.05 0.00 -1.10 0.00 0.00 41.96 41.21 2gtz s TYR 10 CO 0.07 -0.69 0.32 -1.54 -2.51 0.00 0.00 175.55 171.20 2gtz s SER 11 N -2.67 6.43 0.18 -0.18 1.04 -1.26 -0.48 113.70 116.76 2gtz s SER 11 Ca 0.07 0.45 -0.12 0.00 0.48 0.00 0.00 55.95 56.83 2gtz s SER 11 Cb -0.01 -2.03 0.09 0.00 0.10 0.00 0.00 66.02 64.16 2gtz s SER 11 CO -0.06 0.08 1.79 -0.09 0.98 0.00 0.00 173.24 175.94 2gtz h ARG 12 N 2.80 0.85 -6.42 4.02 2.43 -1.46 -3.45 114.38 113.16 2gtz h ARG 12 Ca -0.46 -0.10 -0.63 0.00 -0.81 0.00 0.00 59.98 57.98 2gtz h ARG 12 Cb 1.17 -0.16 -0.16 0.00 -0.42 0.00 0.00 29.97 30.39 2gtz h ARG 12 CO 0.73 0.65 -0.78 -1.01 -1.51 0.00 0.00 179.97 178.06 2gtz s HIS 13 N -5.83 2.36 0.06 2.20 3.76 -1.26 -5.05 115.29 111.54 2gtz s HIS 13 Ca -0.13 -0.32 -0.36 0.00 -0.15 0.00 0.00 55.06 54.10 2gtz s HIS 13 Cb 0.13 -1.11 -0.16 0.00 1.11 0.00 0.00 32.58 32.56 2gtz s HIS 13 CO 0.78 0.59 1.47 -2.30 -0.85 0.00 0.00 174.74 174.43 2gtz n PRO 14 N -0.16 1.48 -2.40 8.40 -0.02 -1.26 -4.89 135.00 136.15 2gtz n PRO 14 Ca -0.09 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.52 2gtz n PRO 14 Cb 0.58 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 2gtz n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gtz s ALA 15 N 1.09 3.43 -0.05 3.55 0.00 -1.26 -5.05 121.76 123.47 2gtz s ALA 15 Ca 0.85 0.97 -0.02 0.00 0.00 0.00 0.00 51.96 53.76 2gtz s ALA 15 Cb -0.87 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 18.92 2gtz s ALA 15 CO 0.46 -0.26 0.10 -2.00 0.00 0.00 0.00 175.76 174.06 2gtz s GLU 16 N -1.51 0.01 0.19 0.00 2.12 -1.26 -5.12 118.70 113.12 2gtz s GLU 16 Ca 0.45 0.35 -0.33 0.00 0.36 0.00 0.00 54.97 55.80 2gtz s GLU 16 Cb -0.34 -0.27 -0.13 0.00 0.26 0.00 0.00 34.13 33.65 2gtz s GLU 16 CO 0.43 -0.22 1.61 0.09 -0.54 0.00 0.00 175.26 176.63 2gtz n ASN 17 N 4.58 3.36 0.00 -1.70 3.02 -1.26 -2.02 115.26 121.24 2gtz n ASN 17 Ca -0.19 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 2gtz n ASN 17 Cb 0.50 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.20 2gtz n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gtz n GLY 18 N 3.44 0.88 3.18 7.41 0.00 0.09 -4.99 105.19 115.20 2gtz n GLY 18 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2gtz n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gtz s LYS 19 N -0.49 3.09 0.55 1.61 2.20 -0.85 -4.98 119.74 120.86 2gtz s LYS 19 Ca 0.00 -0.79 -0.21 0.00 -0.36 0.00 0.00 55.97 54.60 2gtz s LYS 19 Cb 0.00 -2.61 -0.05 0.00 -1.51 0.00 0.00 37.83 33.66 2gtz s LYS 19 CO 0.00 -0.12 1.23 0.45 -0.36 0.00 0.00 175.35 176.55 2gtz n SER 20 N 4.42 2.08 -2.46 1.43 2.88 -1.26 -4.31 113.62 116.40 2gtz n SER 20 Ca -0.20 0.94 -0.06 0.00 -1.33 0.00 0.00 58.87 58.22 2gtz n SER 20 Cb 0.51 -1.51 0.02 0.00 -0.75 0.00 0.00 64.21 62.48 2gtz n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2gtz n ASN 21 N -0.80 -1.71 -4.16 -3.46 2.85 0.10 -4.99 115.26 103.09 2gtz n ASN 21 Ca 0.11 -2.14 -0.26 0.00 -0.11 0.00 0.00 54.58 52.18 2gtz n ASN 21 Cb 0.45 2.83 -0.16 0.00 1.24 0.00 0.00 39.78 44.14 2gtz n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2gtz s PHE 22 N -3.55 1.72 -0.19 1.20 0.40 -1.26 -1.08 117.98 115.22 2gtz s PHE 22 Ca 0.13 -0.44 -0.08 0.00 -0.60 0.00 0.00 56.93 55.94 2gtz s PHE 22 Cb -0.04 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.31 2gtz s PHE 22 CO 0.08 -0.12 0.08 -1.17 0.70 0.00 0.00 175.22 174.80 2gtz s LEU 23 N -0.13 3.95 0.02 -0.37 2.96 0.67 -1.02 118.68 124.75 2gtz s LEU 23 Ca -0.00 0.13 0.07 0.00 -0.22 0.00 0.00 54.13 54.11 2gtz s LEU 23 Cb -0.10 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 2gtz s LEU 23 CO 0.01 0.18 -0.19 0.20 -1.32 0.00 0.00 176.35 175.23 2gtz s ASN 24 N 0.35 3.67 -0.24 3.68 0.01 0.37 -1.39 114.94 121.39 2gtz s ASN 24 Ca 0.05 -0.41 0.01 0.00 -0.71 0.00 0.00 52.86 51.80 2gtz s ASN 24 Cb -0.12 -0.58 0.06 0.00 0.41 0.00 0.00 41.25 41.02 2gtz s ASN 24 CO -0.01 0.28 -0.04 0.00 -1.51 0.00 0.00 177.10 175.83 2gtz s TYR 26 N 1.39 3.36 -0.13 0.00 5.04 0.26 -0.59 117.35 126.69 2gtz s TYR 26 Ca -0.04 0.45 0.03 0.00 -2.44 0.00 0.00 57.07 55.06 2gtz s TYR 26 Cb -0.19 -2.38 0.00 0.00 0.35 0.00 0.00 41.96 39.74 2gtz s TYR 26 CO -0.07 0.07 -0.21 0.14 -1.34 0.00 0.00 175.55 174.13 2gtz s VAL 27 N 1.06 2.19 0.17 3.14 -7.23 -0.28 -1.12 120.40 118.32 2gtz s VAL 27 Ca 0.14 -0.95 -0.01 0.00 -1.81 0.00 0.00 61.98 59.35 2gtz s VAL 27 Cb -0.14 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 2gtz s VAL 27 CO 0.06 0.55 0.09 -0.94 -0.31 0.00 0.00 175.10 174.54 2gtz s SER 28 N 0.64 0.37 0.00 4.85 1.04 -0.72 -1.02 113.70 118.86 2gtz s SER 28 Ca -0.11 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.02 2gtz s SER 28 Cb -0.16 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2gtz s SER 28 CO 0.02 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2gtz n GLY 29 N -0.21 0.67 3.94 7.32 0.00 -0.39 -0.39 105.19 116.13 2gtz n GLY 29 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 2gtz n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2gtz s PHE 30 N -2.46 3.42 -0.28 1.61 -0.71 -1.13 -4.22 117.98 114.21 2gtz s PHE 30 Ca 0.00 0.00 -0.19 0.00 -1.04 0.00 0.00 56.93 55.70 2gtz s PHE 30 Cb 0.00 -1.58 0.10 0.00 -1.21 0.00 0.00 43.02 40.34 2gtz s PHE 30 CO 0.00 0.47 0.83 -1.58 -1.34 0.00 0.00 175.22 173.60 2gtz s HIS 31 N -1.93 -0.78 0.88 3.49 2.46 -0.72 -0.51 115.29 118.19 2gtz s HIS 31 Ca 0.34 1.66 -0.15 0.00 0.47 0.00 0.00 55.06 57.38 2gtz s HIS 31 Cb -0.09 0.44 0.21 0.00 -0.13 0.00 0.00 32.58 33.01 2gtz s HIS 31 CO 0.28 -0.38 0.92 -0.35 -2.47 0.00 0.00 174.74 172.74 2gtz n PRO 32 N 3.47 -2.06 0.21 2.88 -0.04 -1.26 -0.31 135.00 137.89 2gtz n PRO 32 Ca -0.17 -1.45 0.13 0.00 -0.04 0.00 0.00 63.50 61.97 2gtz n PRO 32 Cb 0.57 -1.20 0.25 0.00 -0.04 0.00 0.00 33.50 33.09 2gtz n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2gtz h SER 33 N -1.98 0.00 -2.77 3.54 4.64 -2.00 -3.45 113.55 111.54 2gtz h SER 33 Ca -0.33 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.45 2gtz h SER 33 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2gtz h SER 33 CO 0.22 0.00 0.95 -1.81 -0.87 0.00 0.00 176.83 175.32 2gtz s ASP 34 N -5.94 6.73 -0.01 4.97 1.01 -1.26 -4.97 116.67 117.20 2gtz s ASP 34 Ca 0.07 2.25 -0.18 0.00 0.71 0.00 0.00 52.55 55.39 2gtz s ASP 34 Cb 0.06 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.47 2gtz s ASP 34 CO 0.65 -0.82 0.40 -0.51 0.21 0.00 0.00 175.17 175.09 2gtz s ILE 35 N 2.90 0.05 -0.14 0.77 2.07 -1.26 -4.66 121.20 120.92 2gtz s ILE 35 Ca 0.69 -0.38 0.02 0.00 -1.41 0.00 0.00 60.65 59.56 2gtz s ILE 35 Cb -0.34 -0.74 0.00 0.00 0.13 0.00 0.00 42.46 41.51 2gtz s ILE 35 CO 0.29 -0.21 -0.19 -0.70 -1.91 0.00 0.00 174.94 172.21 2gtz s GLU 36 N -1.46 3.11 -0.06 3.50 2.12 -0.56 -5.00 118.70 120.35 2gtz s GLU 36 Ca -0.12 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.42 2gtz s GLU 36 Cb -0.04 -2.50 0.02 0.00 0.26 0.00 0.00 34.13 31.87 2gtz s GLU 36 CO 0.05 0.03 -0.09 0.08 -0.54 0.00 0.00 175.26 174.78 2gtz s VAL 37 N 0.75 0.92 -0.01 3.70 1.01 -1.26 -1.23 120.40 124.28 2gtz s VAL 37 Ca -0.08 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.60 2gtz s VAL 37 Cb -0.16 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 2gtz s VAL 37 CO 0.00 0.31 -0.13 -1.81 0.00 0.00 0.00 175.10 173.47 2gtz s ASP 38 N 0.86 1.57 -0.03 3.32 1.01 0.03 -4.98 116.67 118.45 2gtz s ASP 38 Ca -0.11 -0.24 -0.13 0.00 0.71 0.00 0.00 52.55 52.77 2gtz s ASP 38 Cb -0.15 -0.20 -0.05 0.00 1.01 0.00 0.00 42.92 43.52 2gtz s ASP 38 CO 0.01 0.16 0.36 -0.76 0.21 0.00 0.00 175.17 175.15 2gtz s LEU 39 N -0.26 4.45 0.00 1.23 1.43 -1.26 -0.40 118.68 123.88 2gtz s LEU 39 Ca 0.04 0.87 0.08 0.00 -1.03 0.00 0.00 54.13 54.09 2gtz s LEU 39 Cb -0.06 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 2gtz s LEU 39 CO -0.00 0.33 -0.24 -0.76 0.23 0.00 0.00 176.35 175.91 2gtz s LEU 40 N -1.02 2.09 -0.23 1.79 1.43 0.29 -0.97 118.68 122.06 2gtz s LEU 40 Ca 0.22 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2gtz s LEU 40 Cb -0.16 -1.21 0.04 0.00 0.03 0.00 0.00 46.19 44.89 2gtz s LEU 40 CO 0.11 0.27 -0.13 -0.75 0.23 0.00 0.00 176.35 176.09 2gtz s LYS 41 N -0.79 2.58 -1.50 1.70 2.20 0.09 -1.99 119.74 122.04 2gtz s LYS 41 Ca 0.10 -1.12 -0.09 0.00 -0.36 0.00 0.00 55.97 54.50 2gtz s LYS 41 Cb -0.09 -2.81 0.06 0.00 -1.51 0.00 0.00 37.83 33.48 2gtz s LYS 41 CO 0.00 -0.43 0.76 0.09 -0.36 0.00 0.00 175.35 175.41 2gtz n ASN 42 N 4.54 -2.74 0.00 1.43 3.02 0.55 -1.55 115.26 120.51 2gtz n ASN 42 Ca -0.17 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 2gtz n ASN 42 Cb 0.45 -3.49 0.00 0.00 -0.61 0.00 0.00 39.78 36.13 2gtz n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gtz n GLY 43 N -1.68 1.72 3.80 7.41 0.00 -1.26 -5.02 105.19 110.15 2gtz n GLY 43 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 2gtz n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gtz s GLU 44 N -0.06 3.94 0.16 1.61 2.12 -0.60 -5.00 118.70 120.88 2gtz s GLU 44 Ca 0.00 0.09 -0.32 0.00 0.36 0.00 0.00 54.97 55.10 2gtz s GLU 44 Cb 0.00 -3.31 -0.10 0.00 0.26 0.00 0.00 34.13 30.98 2gtz s GLU 44 CO 0.00 0.50 1.62 0.50 -0.54 0.00 0.00 175.26 177.34 2gtz s ARG 45 N -0.34 4.19 -0.22 4.30 3.52 -1.26 -0.73 118.95 128.41 2gtz s ARG 45 Ca 0.17 2.41 -0.26 0.00 -0.13 0.00 0.00 55.73 57.93 2gtz s ARG 45 Cb -0.13 -3.21 -0.00 0.00 -1.56 0.00 0.00 34.95 30.05 2gtz s ARG 45 CO 0.06 -0.66 0.89 0.42 -0.81 0.00 0.00 175.30 175.20 2gtz s ILE 46 N 1.38 4.80 -0.15 4.11 1.01 -0.14 -4.88 121.20 127.33 2gtz s ILE 46 Ca 0.72 1.70 0.15 0.00 0.00 0.00 0.00 60.65 63.22 2gtz s ILE 46 Cb -0.44 -4.17 0.05 0.00 0.01 0.00 0.00 42.46 37.90 2gtz s ILE 46 CO 0.32 -0.08 1.41 -0.33 0.00 0.00 0.00 174.94 176.26 2gtz h GLU 47 N 7.55 0.00 -2.48 2.79 5.08 -1.93 -3.37 114.58 122.23 2gtz h GLU 47 Ca -0.23 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.44 2gtz h GLU 47 Cb 1.09 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.21 2gtz h GLU 47 CO 0.89 0.51 1.95 0.36 -1.00 0.00 0.00 179.01 181.72 2gtz n LYS 48 N -3.22 4.12 -4.40 2.33 2.85 -1.26 -4.95 118.16 113.64 2gtz n LYS 48 Ca 0.01 -3.22 -0.35 0.00 -1.05 0.00 0.00 58.31 53.71 2gtz n LYS 48 Cb 0.75 -2.52 -0.10 0.00 -0.65 0.00 0.00 35.03 32.51 2gtz n LYS 48 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2gtz s VAL 49 N -1.42 4.18 0.36 0.58 1.01 -1.26 -4.71 120.40 119.16 2gtz s VAL 49 Ca 0.55 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.32 2gtz s VAL 49 Cb 0.23 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2gtz s VAL 49 CO -0.12 0.58 0.24 -1.61 0.00 0.00 0.00 175.10 174.19 2gtz s GLU 50 N -0.64 2.50 0.10 2.72 2.02 -0.29 -4.94 118.70 120.17 2gtz s GLU 50 Ca 0.10 -1.50 -0.07 0.00 0.02 0.00 0.00 54.97 53.52 2gtz s GLU 50 Cb -0.12 -2.29 -0.01 0.00 0.10 0.00 0.00 34.13 31.81 2gtz s GLU 50 CO 0.02 0.01 0.16 -3.38 0.02 0.00 0.00 175.26 172.10 2gtz s HIS 51 N -2.42 0.31 0.74 1.61 -3.43 -1.26 -0.87 115.29 109.97 2gtz s HIS 51 Ca 0.41 -0.74 -0.12 0.00 -0.80 0.00 0.00 55.06 53.82 2gtz s HIS 51 Cb -0.03 -0.14 0.04 0.00 -1.43 0.00 0.00 32.58 31.02 2gtz s HIS 51 CO 0.25 -0.55 1.13 -1.54 -2.00 0.00 0.00 174.74 172.02 2gtz s SER 52 N -2.90 5.07 0.22 7.38 1.04 -0.18 -4.99 113.70 119.33 2gtz s SER 52 Ca 0.09 0.98 -0.30 0.00 0.48 0.00 0.00 55.95 57.20 2gtz s SER 52 Cb 0.05 -1.66 -0.08 0.00 0.10 0.00 0.00 66.02 64.43 2gtz s SER 52 CO -0.08 -1.56 0.96 -1.81 0.98 0.00 0.00 173.24 171.73 2gtz s ASP 53 N -4.45 7.58 0.18 7.02 -0.00 -1.26 -4.76 116.67 120.98 2gtz s ASP 53 Ca 0.60 1.95 -0.32 0.00 -0.00 0.00 0.00 52.55 54.78 2gtz s ASP 53 Cb -0.11 -2.61 -0.12 0.00 -0.00 0.00 0.00 42.92 40.09 2gtz s ASP 53 CO 0.50 0.08 1.76 -0.11 -0.00 0.00 0.00 175.17 177.40 2gtz n LEU 54 N 1.75 4.00 0.00 1.23 0.00 -1.26 -4.95 117.00 117.77 2gtz n LEU 54 Ca -0.01 1.04 -0.18 0.00 0.00 0.00 0.00 56.01 56.86 2gtz n LEU 54 Cb 0.47 -1.56 -0.06 0.00 0.00 0.00 0.00 43.42 42.26 2gtz n LEU 54 CO 0.51 0.17 -0.03 -0.24 0.00 0.00 0.00 177.39 177.80 2gtz n SER 55 N 4.48 -0.86 -3.75 1.96 2.88 -1.23 -5.05 113.62 112.04 2gtz n SER 55 Ca 0.17 -3.07 -0.10 0.00 -1.33 0.00 0.00 58.87 54.54 2gtz n SER 55 Cb 0.35 1.86 -0.05 0.00 -0.75 0.00 0.00 64.21 65.62 2gtz n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2gtz s PHE 56 N -3.22 -0.02 0.57 0.66 -0.12 -1.26 -1.65 117.98 112.94 2gtz s PHE 56 Ca 0.36 -0.34 0.02 0.00 -0.05 0.00 0.00 56.93 56.92 2gtz s PHE 56 Cb 0.01 0.15 0.11 0.00 -0.63 0.00 0.00 43.02 42.66 2gtz s PHE 56 CO 0.26 -0.69 0.78 0.43 -0.05 0.00 0.00 175.22 175.95 2gtz n SER 57 N -0.19 1.28 0.08 1.98 7.64 -0.39 -4.93 113.62 119.09 2gtz n SER 57 Ca -0.14 -2.03 0.17 0.00 1.01 0.00 0.00 58.87 57.88 2gtz n SER 57 Cb 0.63 -0.49 0.68 0.00 -1.01 0.00 0.00 64.21 64.02 2gtz n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2gtz h LYS 58 N 0.00 0.00 -0.40 1.43 1.63 -2.03 -1.18 116.57 116.03 2gtz h LYS 58 Ca -0.26 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 2gtz h LYS 58 Cb 1.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 2gtz h LYS 58 CO 0.30 0.00 0.00 -0.40 -3.45 0.00 0.00 179.45 175.90 2gtz n ASP 59 N -4.41 2.24 0.00 4.20 5.75 -1.26 -4.91 116.55 118.16 2gtz n ASP 59 Ca 0.06 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 2gtz n ASP 59 Cb 0.46 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 2gtz n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2gtz n TRP 60 N 0.72 0.00 -2.56 2.11 7.02 -0.45 -5.02 117.44 119.26 2gtz n TRP 60 Ca 0.15 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.25 2gtz n TRP 60 Cb 0.36 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.21 2gtz n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2gtz s SER 61 N -3.23 6.96 0.46 -0.99 1.04 -1.26 -4.69 113.70 111.99 2gtz s SER 61 Ca 0.00 2.07 -0.13 0.00 0.48 0.00 0.00 55.95 58.37 2gtz s SER 61 Cb 0.00 -2.60 -0.07 0.00 0.10 0.00 0.00 66.02 63.46 2gtz s SER 61 CO 0.00 -0.35 0.86 -0.36 0.98 0.00 0.00 173.24 174.38 2gtz s PHE 62 N -1.52 3.47 0.04 5.02 0.08 0.33 -1.26 117.98 124.15 2gtz s PHE 62 Ca 0.53 1.21 0.01 0.00 0.12 0.00 0.00 56.93 58.81 2gtz s PHE 62 Cb -0.24 -2.59 -0.03 0.00 -0.57 0.00 0.00 43.02 39.60 2gtz s PHE 62 CO 0.30 -0.23 -0.06 1.52 -0.10 0.00 0.00 175.22 176.65 2gtz s TYR 63 N -2.51 0.56 -0.06 0.36 -0.85 -0.66 -1.27 117.35 112.93 2gtz s TYR 63 Ca 0.54 -0.59 -0.14 0.00 -0.52 0.00 0.00 57.07 56.36 2gtz s TYR 63 Cb -0.10 -0.35 0.03 0.00 0.38 0.00 0.00 41.96 41.92 2gtz s TYR 63 CO 0.32 -0.14 0.33 -0.51 -1.52 0.00 0.00 175.55 174.03 2gtz s LEU 64 N -1.79 0.75 -0.16 -3.49 1.43 -0.19 -3.56 118.68 111.67 2gtz s LEU 64 Ca -0.08 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2gtz s LEU 64 Cb -0.07 1.26 -0.00 0.00 0.03 0.00 0.00 46.19 47.41 2gtz s LEU 64 CO -0.01 -0.32 -0.16 -0.22 0.23 0.00 0.00 176.35 175.88 2gtz s LEU 65 N -0.71 2.45 -0.10 1.79 2.96 -1.26 -1.13 118.68 122.68 2gtz s LEU 65 Ca -0.08 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.33 2gtz s LEU 65 Cb -0.04 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 2gtz s LEU 65 CO 0.03 0.08 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.81 2gtz s TYR 66 N 0.85 3.10 -0.01 5.38 1.51 0.24 -1.01 117.35 127.42 2gtz s TYR 66 Ca -0.05 0.06 -0.17 0.00 -1.01 0.00 0.00 57.07 55.90 2gtz s TYR 66 Cb -0.15 -1.83 0.03 0.00 -0.11 0.00 0.00 41.96 39.90 2gtz s TYR 66 CO -0.01 0.33 0.37 1.52 -1.11 0.00 0.00 175.55 176.65 2gtz s TYR 67 N -0.55 -0.25 0.04 2.71 1.13 -0.05 -0.59 117.35 119.79 2gtz s TYR 67 Ca 0.09 0.34 -0.14 0.00 -1.41 0.00 0.00 57.07 55.95 2gtz s TYR 67 Cb -0.12 0.15 0.02 0.00 -1.10 0.00 0.00 41.96 40.92 2gtz s TYR 67 CO 0.02 -0.45 0.31 -0.08 -2.51 0.00 0.00 175.55 172.84 2gtz s THR 68 N -1.59 0.08 0.26 -3.49 -1.32 -0.48 -1.13 115.64 107.96 2gtz s THR 68 Ca -0.11 -0.65 -0.30 0.00 -1.21 0.00 0.00 61.69 59.42 2gtz s THR 68 Cb -0.03 -0.92 -0.09 0.00 -1.51 0.00 0.00 72.50 69.95 2gtz s THR 68 CO 0.03 -0.36 1.25 -1.61 -2.21 0.00 0.00 174.62 171.72 2gtz s GLU 69 N -2.46 4.45 0.11 7.08 2.02 -1.26 -0.24 118.70 128.39 2gtz s GLU 69 Ca -0.06 2.02 -0.07 0.00 0.02 0.00 0.00 54.97 56.89 2gtz s GLU 69 Cb -0.01 -3.16 -0.01 0.00 0.10 0.00 0.00 34.13 31.05 2gtz s GLU 69 CO -0.03 -0.10 0.17 -0.59 0.02 0.00 0.00 175.26 174.73 2gtz s PHE 70 N -0.58 0.32 -0.29 1.61 -0.71 -0.24 -4.83 117.98 113.25 2gtz s PHE 70 Ca 0.51 -0.74 0.02 0.00 -1.04 0.00 0.00 56.93 55.68 2gtz s PHE 70 Cb -0.36 -0.14 0.08 0.00 -1.21 0.00 0.00 43.02 41.40 2gtz s PHE 70 CO 0.43 -0.56 0.00 0.99 -1.34 0.00 0.00 175.22 174.74 2gtz s THR 71 N -3.91 1.80 0.49 -4.49 2.01 -1.26 -0.72 115.64 109.56 2gtz s THR 71 Ca 0.10 -1.74 -0.23 0.00 0.31 0.00 0.00 61.69 60.13 2gtz s THR 71 Cb 0.05 -2.19 -0.06 0.00 0.01 0.00 0.00 72.50 70.31 2gtz s THR 71 CO -0.07 -0.37 1.31 -2.16 -0.69 0.00 0.00 174.62 172.63 2gtz s PRO 72 N 1.20 3.49 0.37 4.92 0.04 -1.26 -4.78 135.00 138.98 2gtz s PRO 72 Ca 0.03 2.12 0.04 0.00 0.04 0.00 0.00 61.00 63.23 2gtz s PRO 72 Cb -0.19 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.90 2gtz s PRO 72 CO -0.10 -0.88 0.14 0.95 0.04 0.00 0.00 177.00 177.15 2gtz s THR 73 N -1.35 0.55 0.12 1.26 -4.23 -1.26 -0.73 115.64 110.00 2gtz s THR 73 Ca 0.66 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.99 2gtz s THR 73 Cb -0.37 -2.44 -0.05 0.00 1.34 0.00 0.00 72.50 70.98 2gtz s THR 73 CO 0.45 0.00 1.72 -0.08 -0.54 0.00 0.00 174.62 176.17 2gtz h GLU 74 N 1.95 0.39 0.00 3.99 4.57 -1.97 -3.34 114.58 120.17 2gtz h GLU 74 Ca -0.35 -0.05 -0.19 0.00 -1.18 0.00 0.00 59.36 57.59 2gtz h GLU 74 Cb 1.26 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.74 2gtz h GLU 74 CO 0.55 0.35 -1.30 1.57 -1.18 0.00 0.00 179.01 179.01 2gtz h LYS 75 N 0.34 0.00 -6.59 1.92 2.10 -2.02 -3.47 116.57 108.85 2gtz h LYS 75 Ca 0.10 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.23 2gtz h LYS 75 Cb 0.07 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 2gtz h LYS 75 CO -0.02 0.45 0.42 -0.51 -2.00 0.00 0.00 179.45 177.80 2gtz s ASP 76 N -6.06 7.37 -0.16 7.07 1.01 -1.26 -5.02 116.67 119.62 2gtz s ASP 76 Ca -0.02 1.92 -0.06 0.00 0.71 0.00 0.00 52.55 55.10 2gtz s ASP 76 Cb 0.08 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 2gtz s ASP 76 CO 0.81 -0.17 0.05 -1.61 0.21 0.00 0.00 175.17 174.45 2gtz s GLU 77 N 0.01 3.71 0.11 8.23 0.41 -1.26 -4.75 118.70 125.16 2gtz s GLU 77 Ca 0.49 -0.35 0.09 0.00 -0.41 0.00 0.00 54.97 54.79 2gtz s GLU 77 Cb -0.26 -3.10 -0.04 0.00 -1.78 0.00 0.00 34.13 28.95 2gtz s GLU 77 CO 0.32 0.40 -0.21 0.71 -0.49 0.00 0.00 175.26 175.98 2gtz s TYR 78 N -0.01 2.45 0.25 1.61 2.02 -1.26 -0.33 117.35 122.08 2gtz s TYR 78 Ca 0.05 -0.31 -0.17 0.00 -0.37 0.00 0.00 57.07 56.27 2gtz s TYR 78 Cb -0.12 -1.33 0.01 0.00 -0.40 0.00 0.00 41.96 40.12 2gtz s TYR 78 CO 0.01 0.34 0.58 0.00 -1.57 0.00 0.00 175.55 174.91 2gtz s ALA 79 N -1.07 -0.76 -0.08 3.71 0.00 -0.84 -0.25 121.76 122.48 2gtz s ALA 79 Ca 0.16 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.62 2gtz s ALA 79 Cb -0.10 0.94 0.01 0.00 0.00 0.00 0.00 23.12 23.97 2gtz s ALA 79 CO 0.08 -0.91 -0.17 0.00 0.00 0.00 0.00 175.76 174.75 2gtz s ARG 81 N 0.50 3.45 -0.06 0.00 3.52 0.47 -1.08 118.95 125.75 2gtz s ARG 81 Ca -0.16 -0.61 0.05 0.00 -0.13 0.00 0.00 55.73 54.88 2gtz s ARG 81 Cb -0.17 -2.93 -0.00 0.00 -1.56 0.00 0.00 34.95 30.29 2gtz s ARG 81 CO 0.06 -0.03 -0.21 0.08 -0.81 0.00 0.00 175.30 174.39 2gtz s VAL 82 N 1.04 1.74 0.10 7.11 1.01 0.05 -0.79 120.40 130.65 2gtz s VAL 82 Ca 0.01 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.19 2gtz s VAL 82 Cb -0.15 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2gtz s VAL 82 CO -0.00 0.49 -0.20 0.21 0.00 0.00 0.00 175.10 175.59 2gtz s ASN 83 N 0.05 2.47 0.04 3.32 3.84 -0.37 -0.91 114.94 123.39 2gtz s ASN 83 Ca -0.07 -0.67 -0.27 0.00 0.21 0.00 0.00 52.86 52.06 2gtz s ASN 83 Cb -0.14 -0.14 0.09 0.00 -0.55 0.00 0.00 41.25 40.52 2gtz s ASN 83 CO 0.04 0.06 0.79 -2.28 -2.79 0.00 0.00 177.10 172.92 2gtz s HIS 84 N -1.14 -0.42 0.51 0.43 5.65 -1.26 -1.49 115.29 117.56 2gtz s HIS 84 Ca 0.06 0.30 0.25 0.00 0.25 0.00 0.00 55.06 55.92 2gtz s HIS 84 Cb -0.10 0.54 1.53 0.00 -1.18 0.00 0.00 32.58 33.37 2gtz s HIS 84 CO 0.04 -0.64 2.15 -0.24 -0.65 0.00 0.00 174.74 175.40 2gtz h VAL 85 N 2.06 0.68 0.00 0.89 3.04 -1.95 -2.15 116.25 118.83 2gtz h VAL 85 Ca -0.26 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 2gtz h VAL 85 Cb 1.26 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 2gtz h VAL 85 CO 0.33 0.06 0.00 0.35 -1.01 0.00 0.00 177.57 177.31 2gtz n THR 86 N -3.93 0.21 -3.94 3.17 -2.24 -1.26 -4.76 114.28 101.53 2gtz n THR 86 Ca -0.03 0.05 -0.35 0.00 -2.27 0.00 0.00 64.05 61.46 2gtz n THR 86 Cb 0.15 -0.61 -0.10 0.00 -2.10 0.00 0.00 70.33 67.68 2gtz n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2gtz s LEU 87 N -2.95 3.87 0.35 3.22 1.43 -0.81 -4.99 118.68 118.81 2gtz s LEU 87 Ca 0.14 0.09 0.27 0.00 -1.03 0.00 0.00 54.13 53.60 2gtz s LEU 87 Cb 0.17 -1.99 0.96 0.00 0.03 0.00 0.00 46.19 45.36 2gtz s LEU 87 CO 0.46 0.16 1.79 0.77 0.23 0.00 0.00 176.35 179.76 2gtz h SER 88 N 6.79 0.00 -5.09 2.29 4.64 -1.86 -3.44 113.55 116.87 2gtz h SER 88 Ca -0.38 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 2gtz h SER 88 Cb 1.17 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.15 2gtz h SER 88 CO 0.71 0.00 0.01 0.00 -0.87 0.00 0.00 176.83 176.67 2gtz s GLN 89 N -3.35 1.35 0.38 4.77 -2.07 -1.26 -5.14 119.66 114.34 2gtz s GLN 89 Ca 0.05 -0.87 -0.27 0.00 -1.82 0.00 0.00 55.36 52.46 2gtz s GLN 89 Cb 0.09 0.51 -0.11 0.00 -1.09 0.00 0.00 33.01 32.42 2gtz s GLN 89 CO 0.52 -0.57 1.37 -2.30 -1.32 0.00 0.00 175.29 172.99 2gtz n PRO 90 N -0.33 2.28 -3.54 9.60 -0.02 -1.26 -4.93 135.00 136.80 2gtz n PRO 90 Ca -0.10 0.80 -0.37 0.00 -2.02 0.00 0.00 63.50 61.81 2gtz n PRO 90 Cb 0.63 -2.49 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 2gtz n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2gtz s LYS 91 N -2.10 4.12 -0.21 -0.52 2.47 -0.08 -4.91 119.74 118.52 2gtz s LYS 91 Ca 0.57 -0.05 -0.06 0.00 -1.56 0.00 0.00 55.97 54.87 2gtz s LYS 91 Cb -0.51 -3.53 -0.03 0.00 -1.46 0.00 0.00 37.83 32.30 2gtz s LYS 91 CO 0.61 0.03 0.02 0.42 0.16 0.00 0.00 175.35 176.59 2gtz s ILE 92 N 1.13 4.04 -0.17 5.43 1.01 -1.26 -0.77 121.20 130.61 2gtz s ILE 92 Ca 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.49 2gtz s ILE 92 Cb -0.14 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 2gtz s ILE 92 CO 0.06 0.41 -0.12 -0.69 0.00 0.00 0.00 174.94 174.60 2gtz s VAL 93 N 1.13 2.91 0.24 2.92 1.01 -0.25 -4.96 120.40 123.40 2gtz s VAL 93 Ca 0.03 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.15 2gtz s VAL 93 Cb -0.14 -2.25 -0.08 0.00 0.00 0.00 0.00 36.38 33.90 2gtz s VAL 93 CO 0.02 0.50 0.71 -0.54 0.00 0.00 0.00 175.10 175.79 2gtz s LYS 94 N 0.88 4.17 0.03 2.72 1.02 -1.26 -1.25 119.74 126.05 2gtz s LYS 94 Ca -0.03 0.79 -0.30 0.00 0.02 0.00 0.00 55.97 56.44 2gtz s LYS 94 Cb -0.15 -2.78 -0.06 0.00 -0.52 0.00 0.00 37.83 34.32 2gtz s LYS 94 CO -0.00 0.34 1.45 -0.46 -0.92 0.00 0.00 175.35 175.76 2gtz s TRP 95 N -1.63 2.84 -0.30 3.18 -0.00 0.66 -4.88 118.94 118.82 2gtz s TRP 95 Ca 0.45 0.75 0.03 0.00 -0.00 0.00 0.00 56.10 57.33 2gtz s TRP 95 Cb -0.15 -3.72 0.08 0.00 -0.00 0.00 0.00 33.47 29.67 2gtz s TRP 95 CO 0.20 -2.71 -0.04 0.34 -0.00 0.00 0.00 176.95 174.75 2gtz s ASP 96 N 1.84 4.61 0.07 5.86 -1.08 -1.26 -4.77 116.67 121.94 2gtz s ASP 96 Ca 0.66 -1.70 0.27 0.00 -0.52 0.00 0.00 52.55 51.25 2gtz s ASP 96 Cb -0.34 -1.59 1.06 0.00 -1.46 0.00 0.00 42.92 40.58 2gtz s ASP 96 CO 0.28 -0.27 1.84 -2.11 0.52 0.00 0.00 175.17 175.43 2gtz n ARG 97 N 4.37 0.08 -0.62 4.34 1.85 -1.26 -3.41 116.66 122.01 2gtz n ARG 97 Ca -0.07 0.10 0.06 0.00 -1.00 0.00 0.00 57.85 56.95 2gtz n ARG 97 Cb 0.42 -1.60 0.31 0.00 -1.05 0.00 0.00 32.46 30.54 2gtz n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2gtz n ASP 98 N -1.74 4.38 0.00 2.89 10.43 -1.26 -4.94 116.55 126.32 2gtz n ASP 98 Ca 0.06 -2.56 0.09 0.00 2.57 0.00 0.00 54.79 54.95 2gtz n ASP 98 Cb 0.35 -0.59 0.55 0.00 1.84 0.00 0.00 41.12 43.27 2gtz n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36