#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtw n ILE 1 N 0.00 0.60 -4.15 1.12 5.41 -1.26 -5.01 119.36 116.07 2gtw n ILE 1 Ca 0.00 -0.15 -0.17 0.00 1.00 0.00 0.00 62.75 63.43 2gtw n ILE 1 Cb 0.00 -1.94 -0.15 0.00 -0.71 0.00 0.00 39.64 36.84 2gtw n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2gtw s GLN 2 N 0.18 0.54 -0.04 0.38 -0.21 -1.26 -4.45 119.66 114.80 2gtw s GLN 2 Ca 0.69 -0.14 0.03 0.00 0.02 0.00 0.00 55.36 55.96 2gtw s GLN 2 Cb -0.51 -0.56 0.01 0.00 1.00 0.00 0.00 33.01 32.95 2gtw s GLN 2 CO 0.42 0.03 -0.10 1.03 -2.12 0.00 0.00 175.29 174.55 2gtw s ARG 3 N 0.31 1.15 0.09 2.91 0.52 0.61 -4.92 118.95 119.62 2gtw s ARG 3 Ca -0.03 -0.33 -0.28 0.00 -0.52 0.00 0.00 55.73 54.56 2gtw s ARG 3 Cb -0.07 -1.04 -0.06 0.00 0.52 0.00 0.00 34.95 34.30 2gtw s ARG 3 CO -0.00 0.10 0.89 0.99 0.02 0.00 0.00 175.30 177.29 2gtw s THR 4 N 0.32 4.59 0.43 0.02 2.01 -1.26 -1.69 115.64 120.06 2gtw s THR 4 Ca -0.06 1.91 -0.25 0.00 0.31 0.00 0.00 61.69 63.60 2gtw s THR 4 Cb -0.11 -4.25 -0.08 0.00 0.01 0.00 0.00 72.50 68.07 2gtw s THR 4 CO 0.01 0.33 1.34 -2.16 -0.69 0.00 0.00 174.62 173.46 2gtw s PRO 5 N -0.01 3.81 -0.27 4.92 0.04 -1.26 -4.32 135.00 137.92 2gtw s PRO 5 Ca 0.44 2.23 -0.11 0.00 0.04 0.00 0.00 61.00 63.61 2gtw s PRO 5 Cb -0.22 -2.67 -0.05 0.00 0.04 0.00 0.00 34.50 31.59 2gtw s PRO 5 CO 0.27 -0.65 0.18 0.15 0.04 0.00 0.00 177.00 176.99 2gtw s LYS 6 N -2.38 3.98 -0.13 4.56 3.01 0.31 -4.92 119.74 124.17 2gtw s LYS 6 Ca 0.59 -0.31 -0.01 0.00 -1.01 0.00 0.00 55.97 55.24 2gtw s LYS 6 Cb -0.40 -3.61 -0.02 0.00 -1.01 0.00 0.00 37.83 32.80 2gtw s LYS 6 CO 0.51 -0.10 -0.11 0.42 0.51 0.00 0.00 175.35 176.57 2gtw s ILE 7 N 1.52 3.21 -0.07 2.17 1.01 -1.26 -1.74 121.20 126.04 2gtw s ILE 7 Ca 0.07 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2gtw s ILE 7 Cb -0.15 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 39.98 2gtw s ILE 7 CO 0.09 0.52 -0.11 -1.10 0.00 0.00 0.00 174.94 174.34 2gtw s GLN 8 N 0.30 1.56 -0.13 2.79 -0.21 -0.22 -4.99 119.66 118.75 2gtw s GLN 8 Ca -0.09 -0.35 0.01 0.00 0.02 0.00 0.00 55.36 54.95 2gtw s GLN 8 Cb -0.15 -1.36 -0.01 0.00 1.00 0.00 0.00 33.01 32.49 2gtw s GLN 8 CO 0.05 -0.03 -0.17 0.08 -2.12 0.00 0.00 175.29 173.10 2gtw s VAL 9 N 0.85 2.64 0.07 1.09 1.01 -1.26 -0.50 120.40 124.31 2gtw s VAL 9 Ca -0.11 -0.80 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 2gtw s VAL 9 Cb -0.15 -2.09 0.08 0.00 0.00 0.00 0.00 36.38 34.23 2gtw s VAL 9 CO 0.02 0.53 0.83 -0.72 0.00 0.00 0.00 175.10 175.75 2gtw s TYR 10 N 0.50 -0.35 0.26 5.22 1.13 -0.57 -4.62 117.35 118.92 2gtw s TYR 10 Ca -0.11 0.15 -0.03 0.00 -1.41 0.00 0.00 57.07 55.67 2gtw s TYR 10 Cb -0.16 0.57 -0.05 0.00 -1.10 0.00 0.00 41.96 41.22 2gtw s TYR 10 CO 0.05 -0.69 0.49 -1.54 -2.51 0.00 0.00 175.55 171.34 2gtw s SER 11 N -2.64 6.41 0.11 -0.18 1.04 -1.26 -0.64 113.70 116.55 2gtw s SER 11 Ca 0.06 0.57 -0.17 0.00 0.48 0.00 0.00 55.95 56.89 2gtw s SER 11 Cb -0.01 -2.08 -0.04 0.00 0.10 0.00 0.00 66.02 63.99 2gtw s SER 11 CO -0.07 -0.14 1.63 -0.09 0.98 0.00 0.00 173.24 175.55 2gtw h ARG 12 N 1.75 0.50 -6.30 4.02 2.43 -1.60 -3.45 114.38 111.74 2gtw h ARG 12 Ca -0.48 -0.11 -0.60 0.00 -0.81 0.00 0.00 59.98 57.98 2gtw h ARG 12 Cb 1.19 -0.07 -0.13 0.00 -0.42 0.00 0.00 29.97 30.53 2gtw h ARG 12 CO 0.67 0.54 -0.73 -1.01 -1.51 0.00 0.00 179.97 177.92 2gtw s HIS 13 N -5.42 2.47 0.18 2.20 3.76 -1.26 -5.06 115.29 112.17 2gtw s HIS 13 Ca -0.13 -0.28 -0.33 0.00 -0.15 0.00 0.00 55.06 54.16 2gtw s HIS 13 Cb 0.09 -1.12 -0.14 0.00 1.11 0.00 0.00 32.58 32.52 2gtw s HIS 13 CO 0.74 0.63 1.47 -2.30 -0.85 0.00 0.00 174.74 174.43 2gtw n PRO 14 N -0.47 1.97 -2.60 8.40 -0.02 -1.26 -4.87 135.00 136.15 2gtw n PRO 14 Ca -0.07 0.71 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 2gtw n PRO 14 Cb 0.58 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 2gtw n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gtw s ALA 15 N 0.45 3.35 -0.03 3.55 0.00 -1.26 -5.04 121.76 122.78 2gtw s ALA 15 Ca 0.75 0.74 -0.00 0.00 0.00 0.00 0.00 51.96 53.45 2gtw s ALA 15 Cb -0.70 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.15 2gtw s ALA 15 CO 0.44 -0.07 0.02 -2.00 0.00 0.00 0.00 175.76 174.14 2gtw s GLU 16 N -0.68 0.17 0.21 0.00 2.12 -1.26 -5.11 118.70 114.14 2gtw s GLU 16 Ca 0.46 0.15 -0.32 0.00 0.36 0.00 0.00 54.97 55.62 2gtw s GLU 16 Cb -0.28 -0.45 -0.13 0.00 0.26 0.00 0.00 34.13 33.53 2gtw s GLU 16 CO 0.34 -0.18 1.60 0.09 -0.54 0.00 0.00 175.26 176.57 2gtw n ASN 17 N 4.39 3.45 0.00 -1.70 3.02 -1.26 -2.04 115.26 121.12 2gtw n ASN 17 Ca -0.22 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.42 2gtw n ASN 17 Cb 0.50 -1.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.17 2gtw n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gtw n GLY 18 N 3.24 1.11 3.39 7.41 0.00 -0.08 -5.01 105.19 115.25 2gtw n GLY 18 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 2gtw n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gtw s LYS 19 N -0.52 3.50 0.46 1.61 2.20 -0.87 -4.97 119.74 121.14 2gtw s LYS 19 Ca 0.00 -0.58 -0.24 0.00 -0.36 0.00 0.00 55.97 54.79 2gtw s LYS 19 Cb 0.00 -3.00 -0.09 0.00 -1.51 0.00 0.00 37.83 33.24 2gtw s LYS 19 CO 0.00 -0.04 1.16 0.45 -0.36 0.00 0.00 175.35 176.56 2gtw n SER 20 N 4.36 1.92 -1.87 1.43 2.88 -1.26 -4.28 113.62 116.81 2gtw n SER 20 Ca -0.18 1.03 -0.04 0.00 -1.33 0.00 0.00 58.87 58.36 2gtw n SER 20 Cb 0.52 -1.45 0.01 0.00 -0.75 0.00 0.00 64.21 62.54 2gtw n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2gtw n ASN 21 N 0.05 -1.02 -4.03 -3.46 2.85 0.09 -5.00 115.26 104.74 2gtw n ASN 21 Ca 0.09 -1.68 -0.21 0.00 -0.11 0.00 0.00 54.58 52.67 2gtw n ASN 21 Cb 0.41 1.69 -0.15 0.00 1.24 0.00 0.00 39.78 42.96 2gtw n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2gtw s PHE 22 N -5.54 1.10 -0.19 1.20 0.40 -1.26 -1.32 117.98 112.38 2gtw s PHE 22 Ca 0.08 -0.28 -0.09 0.00 -0.60 0.00 0.00 56.93 56.04 2gtw s PHE 22 Cb -0.02 -0.77 -0.05 0.00 0.51 0.00 0.00 43.02 42.70 2gtw s PHE 22 CO 0.05 -0.10 0.11 -1.17 0.70 0.00 0.00 175.22 174.80 2gtw s LEU 23 N 0.11 4.08 0.01 -0.37 2.96 0.14 -1.34 118.68 124.27 2gtw s LEU 23 Ca -0.02 0.19 0.08 0.00 -0.22 0.00 0.00 54.13 54.15 2gtw s LEU 23 Cb -0.09 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 2gtw s LEU 23 CO 0.01 0.18 -0.24 0.20 -1.32 0.00 0.00 176.35 175.18 2gtw s ASN 24 N 0.34 3.28 -0.22 3.68 0.01 0.19 -1.55 114.94 120.66 2gtw s ASN 24 Ca 0.06 -0.49 -0.00 0.00 -0.71 0.00 0.00 52.86 51.72 2gtw s ASN 24 Cb -0.11 -0.40 0.06 0.00 0.41 0.00 0.00 41.25 41.21 2gtw s ASN 24 CO -0.01 0.29 -0.03 0.00 -1.51 0.00 0.00 177.10 175.83 2gtw s TYR 26 N 1.52 3.25 -0.09 0.00 5.04 0.35 -0.84 117.35 126.57 2gtw s TYR 26 Ca -0.04 0.10 0.03 0.00 -2.44 0.00 0.00 57.07 54.71 2gtw s TYR 26 Cb -0.18 -2.28 -0.01 0.00 0.35 0.00 0.00 41.96 39.84 2gtw s TYR 26 CO -0.07 -0.05 -0.19 0.14 -1.34 0.00 0.00 175.55 174.04 2gtw s VAL 27 N 1.29 2.52 0.13 3.14 -7.23 -0.46 -1.06 120.40 118.73 2gtw s VAL 27 Ca 0.07 -0.87 -0.05 0.00 -1.81 0.00 0.00 61.98 59.32 2gtw s VAL 27 Cb -0.14 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 2gtw s VAL 27 CO 0.06 0.55 0.14 -0.94 -0.31 0.00 0.00 175.10 174.61 2gtw s SER 28 N 0.10 0.21 -0.07 4.85 1.04 -0.71 -0.97 113.70 118.15 2gtw s SER 28 Ca -0.09 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2gtw s SER 28 Cb -0.15 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.31 2gtw s SER 28 CO 0.06 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.11 2gtw n GLY 29 N -0.11 0.48 3.90 7.32 0.00 -0.21 -0.53 105.19 116.04 2gtw n GLY 29 Ca -0.08 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 2gtw n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2gtw s PHE 30 N -1.98 3.38 -0.28 1.61 -0.71 -1.17 -4.13 117.98 114.70 2gtw s PHE 30 Ca 0.00 0.07 -0.21 0.00 -1.04 0.00 0.00 56.93 55.75 2gtw s PHE 30 Cb 0.00 -1.61 0.08 0.00 -1.21 0.00 0.00 43.02 40.28 2gtw s PHE 30 CO 0.00 0.51 0.75 -1.58 -1.34 0.00 0.00 175.22 173.57 2gtw s HIS 31 N -1.76 -0.86 0.36 3.49 2.46 -0.68 -0.74 115.29 117.55 2gtw s HIS 31 Ca 0.33 1.89 -0.06 0.00 0.47 0.00 0.00 55.06 57.69 2gtw s HIS 31 Cb -0.11 0.43 0.09 0.00 -0.13 0.00 0.00 32.58 32.86 2gtw s HIS 31 CO 0.27 -0.42 0.40 -0.35 -2.47 0.00 0.00 174.74 172.17 2gtw n PRO 32 N 3.37 -1.01 0.19 2.88 -0.04 -1.26 -0.28 135.00 138.85 2gtw n PRO 32 Ca -0.17 -0.63 0.12 0.00 -0.04 0.00 0.00 63.50 62.78 2gtw n PRO 32 Cb 0.57 -0.49 0.15 0.00 -0.04 0.00 0.00 33.50 33.69 2gtw n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2gtw h SER 33 N -1.03 0.00 -2.86 3.54 4.64 -2.00 -3.45 113.55 112.39 2gtw h SER 33 Ca -0.14 -0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.63 2gtw h SER 33 Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 2gtw h SER 33 CO 0.09 0.00 0.89 -1.81 -0.87 0.00 0.00 176.83 175.14 2gtw s ASP 34 N -5.96 6.86 -0.07 4.97 1.01 -1.26 -4.97 116.67 117.25 2gtw s ASP 34 Ca 0.06 1.99 -0.15 0.00 0.71 0.00 0.00 52.55 55.15 2gtw s ASP 34 Cb 0.06 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.48 2gtw s ASP 34 CO 0.69 -0.76 0.37 -0.51 0.21 0.00 0.00 175.17 175.17 2gtw s ILE 35 N 3.05 0.03 -0.14 0.77 2.07 -1.26 -4.65 121.20 121.06 2gtw s ILE 35 Ca 0.62 -0.24 0.01 0.00 -1.41 0.00 0.00 60.65 59.64 2gtw s ILE 35 Cb -0.28 -0.61 -0.00 0.00 0.13 0.00 0.00 42.46 41.69 2gtw s ILE 35 CO 0.23 -0.13 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.26 2gtw s GLU 36 N -0.66 3.21 -0.08 3.50 2.12 -0.66 -4.99 118.70 121.13 2gtw s GLU 36 Ca -0.08 -0.77 -0.01 0.00 0.36 0.00 0.00 54.97 54.48 2gtw s GLU 36 Cb -0.04 -2.56 0.03 0.00 0.26 0.00 0.00 34.13 31.82 2gtw s GLU 36 CO 0.03 0.08 -0.03 0.08 -0.54 0.00 0.00 175.26 174.88 2gtw s VAL 37 N 0.65 0.59 -0.03 3.70 1.01 -1.26 -0.99 120.40 124.07 2gtw s VAL 37 Ca -0.09 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 61.92 2gtw s VAL 37 Cb -0.16 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 2gtw s VAL 37 CO 0.02 0.28 -0.21 -1.81 0.00 0.00 0.00 175.10 173.38 2gtw s ASP 38 N 1.70 2.55 0.02 3.32 1.01 -0.01 -4.98 116.67 120.28 2gtw s ASP 38 Ca 0.02 -0.40 -0.17 0.00 0.71 0.00 0.00 52.55 52.70 2gtw s ASP 38 Cb -0.13 -0.42 -0.06 0.00 1.01 0.00 0.00 42.92 43.32 2gtw s ASP 38 CO -0.05 0.24 0.49 -0.76 0.21 0.00 0.00 175.17 175.30 2gtw s LEU 39 N -0.36 4.48 0.01 1.23 1.43 -1.26 -0.56 118.68 123.65 2gtw s LEU 39 Ca 0.04 1.08 0.08 0.00 -1.03 0.00 0.00 54.13 54.31 2gtw s LEU 39 Cb -0.10 -2.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 2gtw s LEU 39 CO 0.00 0.27 -0.24 -0.76 0.23 0.00 0.00 176.35 175.85 2gtw s LEU 40 N -0.92 2.10 -0.20 1.79 1.43 0.41 -0.90 118.68 122.39 2gtw s LEU 40 Ca 0.26 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2gtw s LEU 40 Cb -0.18 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 44.87 2gtw s LEU 40 CO 0.16 0.26 -0.17 -0.75 0.23 0.00 0.00 176.35 176.08 2gtw s LYS 41 N -0.86 2.83 -1.67 1.70 2.20 -0.34 -1.88 119.74 121.72 2gtw s LYS 41 Ca 0.10 -0.94 -0.17 0.00 -0.36 0.00 0.00 55.97 54.59 2gtw s LYS 41 Cb -0.09 -2.67 0.14 0.00 -1.51 0.00 0.00 37.83 33.70 2gtw s LYS 41 CO 0.00 -0.30 0.82 0.09 -0.36 0.00 0.00 175.35 175.61 2gtw n ASN 42 N 4.59 -3.56 0.00 1.43 3.02 0.54 -1.77 115.26 119.51 2gtw n ASN 42 Ca -0.19 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 2gtw n ASN 42 Cb 0.48 -2.97 0.00 0.00 -0.61 0.00 0.00 39.78 36.68 2gtw n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gtw n GLY 43 N -1.46 1.07 3.61 7.41 0.00 -1.26 -5.03 105.19 109.52 2gtw n GLY 43 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2gtw n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gtw s GLU 44 N -0.46 3.26 0.17 1.61 2.12 -0.73 -5.02 118.70 119.65 2gtw s GLU 44 Ca 0.00 -0.45 -0.31 0.00 0.36 0.00 0.00 54.97 54.57 2gtw s GLU 44 Cb 0.00 -2.85 -0.10 0.00 0.26 0.00 0.00 34.13 31.44 2gtw s GLU 44 CO 0.00 0.52 1.54 0.50 -0.54 0.00 0.00 175.26 177.28 2gtw s ARG 45 N -0.38 4.23 -0.22 4.30 3.52 -1.26 -1.20 118.95 127.94 2gtw s ARG 45 Ca 0.07 2.33 -0.24 0.00 -0.13 0.00 0.00 55.73 57.76 2gtw s ARG 45 Cb -0.12 -3.16 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 2gtw s ARG 45 CO 0.02 -0.58 0.78 0.42 -0.81 0.00 0.00 175.30 175.13 2gtw s ILE 46 N 1.06 4.89 0.11 4.11 1.01 -0.08 -4.89 121.20 127.40 2gtw s ILE 46 Ca 0.69 1.47 0.04 0.00 0.00 0.00 0.00 60.65 62.85 2gtw s ILE 46 Cb -0.43 -4.07 -0.23 0.00 0.01 0.00 0.00 42.46 37.74 2gtw s ILE 46 CO 0.32 -0.02 1.24 -0.33 0.00 0.00 0.00 174.94 176.15 2gtw h GLU 47 N 7.62 0.08 -3.69 2.79 5.08 -1.93 -3.38 114.58 121.15 2gtw h GLU 47 Ca -0.26 -0.13 -0.76 0.00 -1.00 0.00 0.00 59.36 57.21 2gtw h GLU 47 Cb 1.11 0.05 -0.17 0.00 0.50 0.00 0.00 28.75 30.24 2gtw h GLU 47 CO 0.84 1.06 1.80 0.36 -1.00 0.00 0.00 179.01 182.07 2gtw n LYS 48 N -3.40 3.64 -5.16 2.33 2.85 -1.26 -4.93 118.16 112.22 2gtw n LYS 48 Ca -0.02 -3.67 -0.32 0.00 -1.05 0.00 0.00 58.31 53.25 2gtw n LYS 48 Cb 0.96 -2.91 -0.16 0.00 -0.65 0.00 0.00 35.03 32.27 2gtw n LYS 48 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2gtw s VAL 49 N 0.36 2.28 0.28 0.58 1.01 -1.26 -4.71 120.40 118.94 2gtw s VAL 49 Ca 0.39 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.47 2gtw s VAL 49 Cb 0.07 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2gtw s VAL 49 CO 0.01 0.57 0.21 -1.61 0.00 0.00 0.00 175.10 174.28 2gtw s GLU 50 N -0.11 2.80 0.05 2.72 2.02 -0.48 -4.94 118.70 120.75 2gtw s GLU 50 Ca -0.04 -1.17 -0.04 0.00 0.02 0.00 0.00 54.97 53.73 2gtw s GLU 50 Cb -0.14 -2.49 -0.02 0.00 0.10 0.00 0.00 34.13 31.58 2gtw s GLU 50 CO 0.04 0.29 0.06 -3.38 0.02 0.00 0.00 175.26 172.29 2gtw s HIS 51 N -2.21 0.31 0.89 1.61 -3.43 -1.26 -1.12 115.29 110.07 2gtw s HIS 51 Ca 0.35 -0.73 -0.12 0.00 -0.80 0.00 0.00 55.06 53.77 2gtw s HIS 51 Cb -0.07 -0.22 0.12 0.00 -1.43 0.00 0.00 32.58 30.98 2gtw s HIS 51 CO 0.25 -0.39 1.09 -1.54 -2.00 0.00 0.00 174.74 172.15 2gtw s SER 52 N -2.52 3.58 0.16 7.38 1.04 0.20 -5.00 113.70 118.53 2gtw s SER 52 Ca 0.01 1.46 -0.30 0.00 0.48 0.00 0.00 55.95 57.59 2gtw s SER 52 Cb 0.03 -2.14 -0.07 0.00 0.10 0.00 0.00 66.02 63.94 2gtw s SER 52 CO -0.08 -2.57 1.00 -1.81 0.98 0.00 0.00 173.24 170.77 2gtw s ASP 53 N -3.48 7.45 0.15 7.02 -0.00 -1.26 -4.78 116.67 121.76 2gtw s ASP 53 Ca 0.63 1.91 -0.31 0.00 -0.00 0.00 0.00 52.55 54.78 2gtw s ASP 53 Cb -0.17 -2.60 -0.11 0.00 -0.00 0.00 0.00 42.92 40.04 2gtw s ASP 53 CO 0.57 -0.07 1.81 -0.22 -0.00 0.00 0.00 175.17 177.25 2gtw s LEU 54 N -0.34 4.39 0.35 1.23 0.20 -1.26 -4.95 118.68 118.31 2gtw s LEU 54 Ca 0.47 2.80 0.07 0.00 0.69 0.00 0.00 54.13 58.15 2gtw s LEU 54 Cb -0.26 -3.58 -0.03 0.00 -0.43 0.00 0.00 46.19 41.90 2gtw s LEU 54 CO 0.32 -1.00 0.26 -0.55 -0.29 0.00 0.00 176.35 175.08 2gtw s SER 55 N 2.32 1.92 0.14 3.68 0.15 -1.21 -5.04 113.70 115.65 2gtw s SER 55 Ca 0.80 -1.76 -0.09 0.00 0.70 0.00 0.00 55.95 55.60 2gtw s SER 55 Cb -0.47 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 64.40 2gtw s SER 55 CO 0.35 -1.05 0.25 0.72 1.20 0.00 0.00 173.24 174.71 2gtw s PHE 56 N -3.39 0.32 0.56 3.44 -0.12 -1.26 -1.72 117.98 115.81 2gtw s PHE 56 Ca 0.37 -0.70 0.02 0.00 -0.05 0.00 0.00 56.93 56.57 2gtw s PHE 56 Cb 0.02 -0.07 0.11 0.00 -0.63 0.00 0.00 43.02 42.45 2gtw s PHE 56 CO 0.26 -0.65 0.78 0.43 -0.05 0.00 0.00 175.22 175.98 2gtw n SER 57 N -0.16 1.28 0.19 1.98 7.64 -0.03 -4.94 113.62 119.58 2gtw n SER 57 Ca -0.10 -2.03 0.08 0.00 1.01 0.00 0.00 58.87 57.84 2gtw n SER 57 Cb 0.63 -0.48 0.60 0.00 -1.01 0.00 0.00 64.21 63.95 2gtw n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2gtw h LYS 58 N 0.00 0.11 -0.29 1.43 1.63 -2.03 -1.24 116.57 116.18 2gtw h LYS 58 Ca -0.26 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 2gtw h LYS 58 Cb 1.01 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 2gtw h LYS 58 CO 0.30 0.07 0.00 -0.40 -3.45 0.00 0.00 179.45 175.97 2gtw n ASP 59 N -4.52 1.94 0.00 4.20 5.75 -1.26 -4.89 116.55 117.77 2gtw n ASP 59 Ca -0.01 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 2gtw n ASP 59 Cb 0.13 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 2gtw n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2gtw n TRP 60 N 0.53 0.00 -2.69 2.11 7.02 -0.47 -5.03 117.44 118.91 2gtw n TRP 60 Ca 0.14 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.28 2gtw n TRP 60 Cb 0.34 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.17 2gtw n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2gtw s SER 61 N -3.36 6.81 0.52 -0.99 1.04 -1.26 -4.64 113.70 111.81 2gtw s SER 61 Ca 0.00 1.84 -0.10 0.00 0.48 0.00 0.00 55.95 58.16 2gtw s SER 61 Cb 0.00 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 2gtw s SER 61 CO 0.00 -0.45 0.90 -0.36 0.98 0.00 0.00 173.24 174.31 2gtw s PHE 62 N -1.95 3.54 -0.01 5.02 0.08 0.08 -0.85 117.98 123.90 2gtw s PHE 62 Ca 0.61 1.14 -0.06 0.00 0.12 0.00 0.00 56.93 58.75 2gtw s PHE 62 Cb -0.15 -2.56 0.00 0.00 -0.57 0.00 0.00 43.02 39.74 2gtw s PHE 62 CO 0.19 -0.39 0.11 1.52 -0.10 0.00 0.00 175.22 176.55 2gtw s TYR 63 N -2.78 0.02 -0.05 0.36 -0.85 -0.70 -1.05 117.35 112.30 2gtw s TYR 63 Ca 0.53 -0.05 -0.08 0.00 -0.52 0.00 0.00 57.07 56.95 2gtw s TYR 63 Cb -0.10 -0.04 0.01 0.00 0.38 0.00 0.00 41.96 42.21 2gtw s TYR 63 CO 0.42 -0.21 0.20 -0.51 -1.52 0.00 0.00 175.55 173.93 2gtw s LEU 64 N -0.97 1.26 -0.15 -3.49 1.43 -0.14 -3.33 118.68 113.28 2gtw s LEU 64 Ca -0.11 0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 2gtw s LEU 64 Cb -0.06 0.78 -0.01 0.00 0.03 0.00 0.00 46.19 46.93 2gtw s LEU 64 CO 0.01 -0.21 -0.13 -0.22 0.23 0.00 0.00 176.35 176.02 2gtw s LEU 65 N -0.53 2.62 -0.09 1.79 2.96 -1.26 -1.35 118.68 122.81 2gtw s LEU 65 Ca -0.06 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.43 2gtw s LEU 65 Cb -0.04 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 2gtw s LEU 65 CO 0.01 0.11 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.82 2gtw s TYR 66 N 0.68 3.10 0.01 5.38 1.51 -0.02 -0.63 117.35 127.38 2gtw s TYR 66 Ca -0.07 0.09 -0.16 0.00 -1.01 0.00 0.00 57.07 55.93 2gtw s TYR 66 Cb -0.15 -1.80 0.03 0.00 -0.11 0.00 0.00 41.96 39.92 2gtw s TYR 66 CO 0.02 0.37 0.35 1.52 -1.11 0.00 0.00 175.55 176.70 2gtw s TYR 67 N -0.68 -0.20 0.03 2.71 1.13 -0.28 -0.52 117.35 119.54 2gtw s TYR 67 Ca 0.11 0.21 -0.15 0.00 -1.41 0.00 0.00 57.07 55.83 2gtw s TYR 67 Cb -0.12 0.14 0.02 0.00 -1.10 0.00 0.00 41.96 40.91 2gtw s TYR 67 CO 0.02 -0.48 0.33 -0.08 -2.51 0.00 0.00 175.55 172.83 2gtw s THR 68 N -1.96 0.07 0.40 -3.49 -1.32 -0.60 -1.38 115.64 107.36 2gtw s THR 68 Ca -0.09 -0.59 -0.25 0.00 -1.21 0.00 0.00 61.69 59.55 2gtw s THR 68 Cb -0.03 -0.88 -0.09 0.00 -1.51 0.00 0.00 72.50 69.99 2gtw s THR 68 CO 0.01 -0.32 1.12 -1.61 -2.21 0.00 0.00 174.62 171.61 2gtw s GLU 69 N -2.30 4.10 0.11 7.08 2.02 -1.26 -0.68 118.70 127.76 2gtw s GLU 69 Ca -0.07 1.72 -0.16 0.00 0.02 0.00 0.00 54.97 56.48 2gtw s GLU 69 Cb -0.02 -2.64 0.03 0.00 0.10 0.00 0.00 34.13 31.61 2gtw s GLU 69 CO -0.02 -0.25 0.39 -0.59 0.02 0.00 0.00 175.26 174.82 2gtw s PHE 70 N -1.49 -0.20 -0.28 1.61 -0.71 -0.43 -4.81 117.98 111.67 2gtw s PHE 70 Ca 0.57 -0.07 0.02 0.00 -1.04 0.00 0.00 56.93 56.41 2gtw s PHE 70 Cb -0.28 0.23 0.07 0.00 -1.21 0.00 0.00 43.02 41.84 2gtw s PHE 70 CO 0.35 -0.67 -0.03 0.99 -1.34 0.00 0.00 175.22 174.52 2gtw s THR 71 N -3.54 1.84 0.39 -4.49 2.01 -1.26 -0.73 115.64 109.86 2gtw s THR 71 Ca 0.01 -1.65 -0.27 0.00 0.31 0.00 0.00 61.69 60.10 2gtw s THR 71 Cb 0.01 -2.15 -0.11 0.00 0.01 0.00 0.00 72.50 70.27 2gtw s THR 71 CO -0.10 -0.26 1.41 -2.65 -0.69 0.00 0.00 174.62 172.32 2gtw n PRO 72 N 4.51 2.38 -4.51 4.92 -0.02 -1.26 -4.80 135.00 136.21 2gtw n PRO 72 Ca -0.08 0.84 -0.25 0.00 -2.02 0.00 0.00 63.50 61.99 2gtw n PRO 72 Cb 0.43 -2.56 -0.09 0.00 -0.02 0.00 0.00 33.50 31.26 2gtw n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2gtw s THR 73 N -1.14 0.80 0.12 3.45 -4.23 -1.26 -0.90 115.64 112.48 2gtw s THR 73 Ca 0.56 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.89 2gtw s THR 73 Cb -0.49 -2.46 -0.05 0.00 1.34 0.00 0.00 72.50 70.83 2gtw s THR 73 CO 0.61 0.00 1.74 -0.08 -0.54 0.00 0.00 174.62 176.36 2gtw h GLU 74 N 1.86 0.35 0.00 3.99 4.57 -1.98 -3.35 114.58 120.02 2gtw h GLU 74 Ca -0.37 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 57.57 2gtw h GLU 74 Cb 1.27 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 2gtw h GLU 74 CO 0.62 0.29 -1.41 1.57 -1.18 0.00 0.00 179.01 178.89 2gtw h LYS 75 N 0.32 0.00 -6.60 1.92 2.10 -2.02 -3.47 116.57 108.82 2gtw h LYS 75 Ca 0.09 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.22 2gtw h LYS 75 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 2gtw h LYS 75 CO -0.02 0.39 0.50 -0.51 -2.00 0.00 0.00 179.45 177.81 2gtw s ASP 76 N -5.95 7.21 -0.16 7.07 1.01 -1.26 -5.02 116.67 119.58 2gtw s ASP 76 Ca -0.03 2.06 -0.07 0.00 0.71 0.00 0.00 52.55 55.22 2gtw s ASP 76 Cb 0.08 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 2gtw s ASP 76 CO 0.81 -0.30 0.07 -1.61 0.21 0.00 0.00 175.17 174.35 2gtw s GLU 77 N 0.08 3.77 0.16 8.23 0.41 -1.26 -4.76 118.70 125.33 2gtw s GLU 77 Ca 0.52 -0.31 0.10 0.00 -0.41 0.00 0.00 54.97 54.87 2gtw s GLU 77 Cb -0.29 -3.17 -0.04 0.00 -1.78 0.00 0.00 34.13 28.85 2gtw s GLU 77 CO 0.33 0.42 -0.19 0.71 -0.49 0.00 0.00 175.26 176.04 2gtw s TYR 78 N -0.04 2.45 0.29 1.61 2.02 -1.26 -0.34 117.35 122.09 2gtw s TYR 78 Ca 0.07 -0.30 -0.20 0.00 -0.37 0.00 0.00 57.07 56.27 2gtw s TYR 78 Cb -0.12 -1.26 0.02 0.00 -0.40 0.00 0.00 41.96 40.21 2gtw s TYR 78 CO 0.01 0.44 0.71 0.00 -1.57 0.00 0.00 175.55 175.14 2gtw s ALA 79 N -1.42 -1.07 -0.05 3.71 0.00 -0.79 -0.75 121.76 121.38 2gtw s ALA 79 Ca 0.20 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.76 2gtw s ALA 79 Cb -0.09 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.88 2gtw s ALA 79 CO 0.11 -1.02 -0.11 0.00 0.00 0.00 0.00 175.76 174.74 2gtw s ARG 81 N 0.57 3.43 -0.05 0.00 3.52 0.28 -0.89 118.95 125.81 2gtw s ARG 81 Ca -0.12 -0.63 0.04 0.00 -0.13 0.00 0.00 55.73 54.89 2gtw s ARG 81 Cb -0.14 -2.83 -0.00 0.00 -1.56 0.00 0.00 34.95 30.42 2gtw s ARG 81 CO 0.03 0.05 -0.17 0.08 -0.81 0.00 0.00 175.30 174.48 2gtw s VAL 82 N 0.81 1.41 0.03 7.11 1.01 -0.16 -0.83 120.40 129.79 2gtw s VAL 82 Ca -0.03 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.31 2gtw s VAL 82 Cb -0.15 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 2gtw s VAL 82 CO 0.01 0.41 -0.18 0.21 0.00 0.00 0.00 175.10 175.55 2gtw s ASN 83 N 0.09 2.13 0.15 3.32 2.47 -0.17 -0.63 114.94 122.30 2gtw s ASN 83 Ca -0.05 -0.47 -0.21 0.00 0.42 0.00 0.00 52.86 52.55 2gtw s ASN 83 Cb -0.12 -0.17 0.06 0.00 -1.45 0.00 0.00 41.25 39.57 2gtw s ASN 83 CO 0.02 0.12 0.56 -2.28 -3.72 0.00 0.00 177.10 171.81 2gtw s HIS 84 N -0.76 -0.47 0.56 0.43 5.65 -1.26 -1.66 115.29 117.78 2gtw s HIS 84 Ca 0.05 0.23 0.23 0.00 0.25 0.00 0.00 55.06 55.82 2gtw s HIS 84 Cb -0.08 0.50 1.56 0.00 -1.18 0.00 0.00 32.58 33.37 2gtw s HIS 84 CO 0.01 -0.82 2.21 -0.24 -0.65 0.00 0.00 174.74 175.25 2gtw h VAL 85 N 2.08 0.76 0.00 0.89 3.04 -1.95 -2.08 116.25 118.98 2gtw h VAL 85 Ca -0.34 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 2gtw h VAL 85 Cb 1.30 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 2gtw h VAL 85 CO 0.40 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.31 2gtw n THR 86 N -4.18 0.09 -4.06 3.17 -2.24 -1.26 -4.77 114.28 101.02 2gtw n THR 86 Ca -0.03 0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.43 2gtw n THR 86 Cb 0.09 -0.55 -0.10 0.00 -2.10 0.00 0.00 70.33 67.67 2gtw n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2gtw s LEU 87 N -2.87 3.77 0.22 3.22 1.43 -0.78 -5.00 118.68 118.67 2gtw s LEU 87 Ca 0.18 0.08 0.25 0.00 -1.03 0.00 0.00 54.13 53.61 2gtw s LEU 87 Cb 0.18 -1.94 0.87 0.00 0.03 0.00 0.00 46.19 45.33 2gtw s LEU 87 CO 0.48 0.20 1.76 -1.54 0.23 0.00 0.00 176.35 177.48 2gtw n SER 88 N 3.38 0.76 -3.67 2.29 3.41 -1.26 -4.74 113.62 113.79 2gtw n SER 88 Ca -0.17 0.60 -0.10 0.00 -0.26 0.00 0.00 58.87 58.95 2gtw n SER 88 Cb 0.52 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 2gtw n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gtw s GLN 89 N -3.16 1.44 0.35 4.33 -2.07 -1.26 -5.14 119.66 114.15 2gtw s GLN 89 Ca 0.09 -0.78 -0.28 0.00 -1.82 0.00 0.00 55.36 52.57 2gtw s GLN 89 Cb 0.12 0.56 -0.12 0.00 -1.09 0.00 0.00 33.01 32.48 2gtw s GLN 89 CO 0.54 -0.63 1.37 -2.30 -1.32 0.00 0.00 175.29 172.95 2gtw n PRO 90 N -0.38 2.32 -3.68 9.60 -0.02 -1.26 -4.92 135.00 136.65 2gtw n PRO 90 Ca -0.11 0.81 -0.36 0.00 -2.02 0.00 0.00 63.50 61.83 2gtw n PRO 90 Cb 0.62 -2.45 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 2gtw n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2gtw s LYS 91 N -1.82 4.13 -0.23 -0.52 2.47 0.19 -4.90 119.74 119.07 2gtw s LYS 91 Ca 0.56 -0.23 -0.06 0.00 -1.56 0.00 0.00 55.97 54.68 2gtw s LYS 91 Cb -0.54 -3.49 -0.02 0.00 -1.46 0.00 0.00 37.83 32.32 2gtw s LYS 91 CO 0.62 0.16 0.03 0.42 0.16 0.00 0.00 175.35 176.73 2gtw s ILE 92 N 0.76 4.02 -0.21 5.43 1.01 -1.26 -0.99 121.20 129.96 2gtw s ILE 92 Ca 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 2gtw s ILE 92 Cb -0.12 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 2gtw s ILE 92 CO 0.02 0.38 -0.04 -0.69 0.00 0.00 0.00 174.94 174.61 2gtw s VAL 93 N 1.38 3.45 0.28 2.92 1.01 -0.07 -4.96 120.40 124.42 2gtw s VAL 93 Ca 0.05 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.35 2gtw s VAL 93 Cb -0.15 -2.56 -0.09 0.00 0.00 0.00 0.00 36.38 33.58 2gtw s VAL 93 CO 0.02 0.43 0.80 -0.54 0.00 0.00 0.00 175.10 175.81 2gtw s LYS 94 N 1.28 4.30 -0.00 2.72 1.02 -1.26 -1.07 119.74 126.73 2gtw s LYS 94 Ca 0.03 0.98 -0.30 0.00 0.02 0.00 0.00 55.97 56.70 2gtw s LYS 94 Cb -0.14 -2.75 -0.05 0.00 -0.52 0.00 0.00 37.83 34.36 2gtw s LYS 94 CO -0.01 0.30 1.39 -0.46 -0.92 0.00 0.00 175.35 175.65 2gtw s TRP 95 N -1.65 2.87 -0.30 3.18 -0.00 0.07 -4.88 118.94 118.23 2gtw s TRP 95 Ca 0.48 0.84 0.03 0.00 -0.00 0.00 0.00 56.10 57.45 2gtw s TRP 95 Cb -0.16 -3.65 0.08 0.00 -0.00 0.00 0.00 33.47 29.74 2gtw s TRP 95 CO 0.21 -2.39 -0.02 0.34 -0.00 0.00 0.00 176.95 175.09 2gtw s ASP 96 N 1.86 4.56 0.02 5.86 -1.08 -1.26 -4.77 116.67 121.86 2gtw s ASP 96 Ca 0.63 -1.77 0.23 0.00 -0.52 0.00 0.00 52.55 51.12 2gtw s ASP 96 Cb -0.31 -1.55 0.95 0.00 -1.46 0.00 0.00 42.92 40.56 2gtw s ASP 96 CO 0.26 -0.29 1.72 -2.11 0.52 0.00 0.00 175.17 175.27 2gtw n ARG 97 N 4.37 0.02 -0.78 4.34 1.85 -1.26 -3.59 116.66 121.60 2gtw n ARG 97 Ca -0.05 0.13 0.07 0.00 -1.00 0.00 0.00 57.85 57.00 2gtw n ARG 97 Cb 0.42 -1.53 0.36 0.00 -1.05 0.00 0.00 32.46 30.66 2gtw n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2gtw n ASP 98 N -1.57 5.19 0.00 2.89 10.43 -1.26 -4.94 116.55 127.28 2gtw n ASP 98 Ca 0.05 -2.78 0.11 0.00 2.57 0.00 0.00 54.79 54.74 2gtw n ASP 98 Cb 0.27 -0.65 0.63 0.00 1.84 0.00 0.00 41.12 43.21 2gtw n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36