#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbt s LYS 3 N 0.00 0.90 0.20 -2.82 1.02 -1.26 -0.84 119.74 116.94 2gbt s LYS 3 Ca 0.00 -0.78 -0.07 0.00 0.02 0.00 0.00 55.97 55.14 2gbt s LYS 3 Cb 0.00 -0.90 -0.02 0.00 -0.52 0.00 0.00 37.83 36.39 2gbt s LYS 3 CO 0.00 0.22 0.27 0.00 -0.92 0.00 0.00 175.35 174.92 2gbt s ALA 4 N -0.93 0.43 -0.05 5.17 0.00 -0.05 -1.86 121.76 124.47 2gbt s ALA 4 Ca 0.01 -1.23 -0.13 0.00 0.00 0.00 0.00 51.96 50.61 2gbt s ALA 4 Cb -0.08 1.12 0.02 0.00 0.00 0.00 0.00 23.12 24.19 2gbt s ALA 4 CO 0.01 -0.68 0.29 0.54 0.00 0.00 0.00 175.76 175.93 2gbt s VAL 5 N -4.06 0.04 -0.06 0.00 0.11 0.02 -0.55 120.40 115.89 2gbt s VAL 5 Ca 0.27 -0.35 0.02 0.00 -2.93 0.00 0.00 61.98 59.00 2gbt s VAL 5 Cb 0.04 -0.54 0.01 0.00 -1.53 0.00 0.00 36.38 34.36 2gbt s VAL 5 CO 0.07 -0.19 -0.11 0.00 -3.33 0.00 0.00 175.10 171.55 2gbt s ALA 6 N -0.86 1.16 -0.32 1.54 0.00 0.12 -0.75 121.76 122.65 2gbt s ALA 6 Ca -0.09 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 51.41 2gbt s ALA 6 Cb -0.05 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 2gbt s ALA 6 CO 0.03 0.09 0.18 0.08 0.00 0.00 0.00 175.76 176.14 2gbt s VAL 7 N 0.71 4.79 -0.18 0.00 1.01 -1.26 -1.19 120.40 124.29 2gbt s VAL 7 Ca -0.14 -0.40 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 2gbt s VAL 7 Cb -0.16 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2gbt s VAL 7 CO 0.03 0.02 0.59 -0.76 0.00 0.00 0.00 175.10 174.98 2gbt s LEU 8 N 1.64 4.18 0.03 3.92 1.43 0.63 -3.91 118.68 126.60 2gbt s LEU 8 Ca 0.05 0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 53.96 2gbt s LEU 8 Cb -0.17 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.19 2gbt s LEU 8 CO 0.07 -0.20 0.00 -0.54 0.23 0.00 0.00 176.35 175.91 2gbt s LYS 9 N 1.57 0.43 0.00 1.70 1.02 -0.51 -2.27 119.74 121.68 2gbt s LYS 9 Ca 0.28 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.52 2gbt s LYS 9 Cb -0.16 0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.31 2gbt s LYS 9 CO 0.11 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 2gbt n GLY 10 N 1.15 4.21 1.21 -3.33 0.00 -1.25 -1.28 105.19 105.90 2gbt n GLY 10 Ca -0.21 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 44.97 2gbt n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gbt n ASP 11 N 0.00 3.52 0.00 1.61 8.00 -1.26 -4.96 116.55 123.46 2gbt n ASP 11 Ca 0.00 -2.21 0.00 0.00 0.71 0.00 0.00 54.79 53.29 2gbt n ASP 11 Cb 0.00 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 2gbt n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gbt n GLY 12 N 1.13 5.36 0.00 0.44 0.00 -1.26 -5.03 105.19 105.83 2gbt n GLY 12 Ca 0.20 -1.24 0.13 0.00 0.00 0.00 0.00 46.02 45.10 2gbt n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gbt n PRO 13 N 0.00 0.05 -2.40 1.61 -0.04 -1.26 -4.84 135.00 128.13 2gbt n PRO 13 Ca 0.00 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 63.09 2gbt n PRO 13 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2gbt n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gbt s VAL 14 N -2.94 4.21 0.02 0.52 1.01 -1.26 -4.17 120.40 117.80 2gbt s VAL 14 Ca 0.14 1.44 -0.10 0.00 0.00 0.00 0.00 61.98 63.46 2gbt s VAL 14 Cb 0.17 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.55 2gbt s VAL 14 CO 0.46 -0.22 0.21 0.00 0.00 0.00 0.00 175.10 175.55 2gbt s GLN 15 N 3.71 0.64 0.04 2.72 -2.07 -0.78 -3.80 119.66 120.12 2gbt s GLN 15 Ca 0.56 -0.48 -0.28 0.00 -1.82 0.00 0.00 55.36 53.33 2gbt s GLN 15 Cb -0.21 0.27 0.10 0.00 -1.09 0.00 0.00 33.01 32.08 2gbt s GLN 15 CO 0.17 -0.18 1.10 0.20 -1.32 0.00 0.00 175.29 175.27 2gbt s GLY 16 N -1.76 -0.33 -0.09 2.60 0.00 -0.96 -0.49 107.32 106.28 2gbt s GLY 16 Ca -0.09 0.58 0.01 0.00 0.00 0.00 0.00 44.72 45.22 2gbt s GLY 16 CO -0.01 0.14 -0.12 -0.42 0.00 0.00 0.00 173.10 172.69 2gbt s ILE 17 N -2.86 1.21 -0.13 0.90 1.01 -0.90 -0.27 121.20 120.16 2gbt s ILE 17 Ca 0.12 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2gbt s ILE 17 Cb 0.01 -1.14 0.01 0.00 0.01 0.00 0.00 42.46 41.35 2gbt s ILE 17 CO -0.02 0.38 -0.20 -0.63 0.00 0.00 0.00 174.94 174.47 2gbt s ILE 18 N 1.10 1.91 0.02 2.92 -1.09 -0.33 -2.34 121.20 123.40 2gbt s ILE 18 Ca -0.06 -0.89 -0.03 0.00 -2.23 0.00 0.00 60.65 57.44 2gbt s ILE 18 Cb -0.14 -1.70 -0.04 0.00 -1.58 0.00 0.00 42.46 39.00 2gbt s ILE 18 CO -0.02 0.52 0.22 0.20 -1.23 0.00 0.00 174.94 174.63 2gbt s ASN 19 N 0.83 6.40 -0.03 3.58 -0.87 0.16 -0.71 114.94 124.29 2gbt s ASN 19 Ca -0.08 0.38 0.05 0.00 -1.57 0.00 0.00 52.86 51.64 2gbt s ASN 19 Cb -0.15 -2.01 -0.01 0.00 -0.02 0.00 0.00 41.25 39.06 2gbt s ASN 19 CO -0.01 0.22 -0.18 -0.36 -2.57 0.00 0.00 177.10 174.20 2gbt s PHE 20 N -1.40 1.69 -0.02 2.20 0.40 0.28 -1.53 117.98 119.61 2gbt s PHE 20 Ca 0.30 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 56.19 2gbt s PHE 20 Cb -0.13 -1.12 0.01 0.00 0.51 0.00 0.00 43.02 42.29 2gbt s PHE 20 CO 0.21 -0.12 0.04 -2.00 0.70 0.00 0.00 175.22 174.05 2gbt s GLU 21 N -0.11 0.03 -0.27 0.44 2.12 -0.24 -0.87 118.70 119.79 2gbt s GLU 21 Ca -0.00 0.10 -0.02 0.00 0.36 0.00 0.00 54.97 55.41 2gbt s GLU 21 Cb -0.10 -0.05 0.09 0.00 0.26 0.00 0.00 34.13 34.33 2gbt s GLU 21 CO 0.01 -0.05 0.08 -1.14 -0.54 0.00 0.00 175.26 173.62 2gbt s GLN 22 N 0.30 0.67 0.29 4.30 0.74 -0.02 -0.28 119.66 125.67 2gbt s GLN 22 Ca -0.02 -0.83 0.02 0.00 0.05 0.00 0.00 55.36 54.58 2gbt s GLN 22 Cb -0.03 -1.94 0.45 0.00 1.10 0.00 0.00 33.01 32.58 2gbt s GLN 22 CO -0.01 -0.88 1.78 0.87 -0.55 0.00 0.00 175.29 176.50 2gbt h LYS 23 N 8.16 0.57 -5.08 1.67 1.57 -1.83 -1.95 116.57 119.68 2gbt h LYS 23 Ca -0.15 -0.17 -0.43 0.00 -1.87 0.00 0.00 60.65 58.03 2gbt h LYS 23 Cb 1.04 -0.06 -0.27 0.00 0.08 0.00 0.00 32.23 33.02 2gbt h LYS 23 CO 0.43 0.68 -0.79 -1.21 -0.57 0.00 0.00 179.45 177.98 2gbt s GLU 24 N -4.77 0.92 0.57 3.15 8.01 -1.26 -4.73 118.70 120.59 2gbt s GLU 24 Ca -0.08 -0.52 0.31 0.00 0.01 0.00 0.00 54.97 54.69 2gbt s GLU 24 Cb 0.15 -0.90 1.73 0.00 -4.31 0.00 0.00 34.13 30.80 2gbt s GLU 24 CO 0.79 0.24 2.19 0.66 0.01 0.00 0.00 175.26 179.14 2gbt h SER 25 N 5.54 0.00 -0.37 -0.19 4.64 -1.97 -0.14 113.55 121.06 2gbt h SER 25 Ca -0.34 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.84 2gbt h SER 25 Cb 1.17 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.18 2gbt h SER 25 CO 0.47 0.05 0.01 -0.46 -0.87 0.00 0.00 176.83 176.03 2gbt n ASN 26 N -3.64 3.13 -4.83 4.97 6.94 -1.26 -4.91 115.26 115.66 2gbt n ASN 26 Ca -0.02 -3.47 -0.29 0.00 -0.02 0.00 0.00 54.58 50.77 2gbt n ASN 26 Cb 0.15 -0.62 -0.04 0.00 -2.36 0.00 0.00 39.78 36.91 2gbt n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2gbt s GLY 27 N -2.20 2.65 0.67 4.83 0.00 -0.07 -5.12 107.32 108.09 2gbt s GLY 27 Ca 0.45 -0.94 -0.15 0.00 0.00 0.00 0.00 44.72 44.08 2gbt s GLY 27 CO 0.04 -2.05 1.13 -4.14 0.00 0.00 0.00 173.10 168.08 2gbt s PRO 28 N -4.08 2.66 -0.24 2.90 0.02 -1.26 -4.85 135.00 130.16 2gbt s PRO 28 Ca 0.22 1.46 -0.11 0.00 0.02 0.00 0.00 61.00 62.59 2gbt s PRO 28 Cb -0.00 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 2gbt s PRO 28 CO 0.13 -1.37 0.20 0.08 -0.33 0.00 0.00 177.00 175.71 2gbt s VAL 29 N -2.27 5.33 -0.10 3.83 1.01 0.87 -4.38 120.40 124.68 2gbt s VAL 29 Ca 0.68 0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.69 2gbt s VAL 29 Cb -0.22 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2gbt s VAL 29 CO 0.42 0.32 0.71 -0.75 0.00 0.00 0.00 175.10 175.80 2gbt s LYS 30 N 1.15 4.38 -0.17 2.72 2.20 0.62 -1.00 119.74 129.64 2gbt s LYS 30 Ca 0.09 0.85 0.01 0.00 -0.36 0.00 0.00 55.97 56.56 2gbt s LYS 30 Cb -0.14 -3.49 0.02 0.00 -1.51 0.00 0.00 37.83 32.72 2gbt s LYS 30 CO 0.05 -0.05 -0.16 0.08 -0.36 0.00 0.00 175.35 174.92 2gbt s VAL 31 N 1.19 1.78 0.09 4.02 1.01 0.74 -1.08 120.40 128.15 2gbt s VAL 31 Ca 0.36 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 2gbt s VAL 31 Cb -0.17 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.57 2gbt s VAL 31 CO 0.16 0.47 0.27 -1.66 0.00 0.00 0.00 175.10 174.33 2gbt s TRP 32 N 1.40 -0.00 -5.00 5.22 -2.14 -0.58 -0.75 118.94 117.08 2gbt s TRP 32 Ca 0.04 -0.33 0.00 0.00 2.66 0.00 0.00 56.10 58.48 2gbt s TRP 32 Cb -0.13 0.06 0.00 0.00 -3.10 0.00 0.00 33.47 30.30 2gbt s TRP 32 CO -0.11 -0.57 0.00 0.41 -2.66 0.00 0.00 176.95 174.01 2gbt n GLY 33 N 0.06 -0.17 3.12 3.67 0.00 -0.63 0.36 105.19 111.61 2gbt n GLY 33 Ca -0.16 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 2gbt n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gbt s SER 34 N -4.00 -0.20 -0.05 1.61 0.15 -0.99 -0.44 113.70 109.79 2gbt s SER 34 Ca 0.00 0.33 0.05 0.00 0.70 0.00 0.00 55.95 57.03 2gbt s SER 34 Cb 0.00 0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 64.72 2gbt s SER 34 CO 0.00 -0.16 -0.21 -0.63 1.20 0.00 0.00 173.24 173.45 2gbt s ILE 35 N -0.23 1.71 0.36 6.45 1.01 0.03 -2.12 121.20 128.40 2gbt s ILE 35 Ca -0.03 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.79 2gbt s ILE 35 Cb -0.03 -1.46 -0.07 0.00 0.01 0.00 0.00 42.46 40.92 2gbt s ILE 35 CO 0.01 0.48 0.04 -1.59 0.00 0.00 0.00 174.94 173.88 2gbt s LYS 36 N -0.06 1.77 0.00 2.79 -2.85 0.36 0.36 119.74 122.10 2gbt s LYS 36 Ca -0.03 -1.99 0.00 0.00 -1.00 0.00 0.00 55.97 52.94 2gbt s LYS 36 Cb -0.12 -1.13 0.00 0.00 -2.06 0.00 0.00 37.83 34.51 2gbt s LYS 36 CO 0.03 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 175.74 2gbt n GLY 37 N -0.79 0.55 3.94 0.59 0.00 -1.06 -1.87 105.19 106.54 2gbt n GLY 37 Ca -0.03 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 2gbt n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gbt s LEU 38 N 0.00 3.99 0.43 0.99 1.43 -0.82 -4.12 118.68 120.58 2gbt s LEU 38 Ca 0.00 0.51 -0.23 0.00 -1.03 0.00 0.00 54.13 53.38 2gbt s LEU 38 Cb 0.00 -3.37 -0.09 0.00 0.03 0.00 0.00 46.19 42.76 2gbt s LEU 38 CO 0.00 -0.30 1.07 0.42 0.23 0.00 0.00 176.35 177.77 2gbt s THR 39 N -2.32 3.63 0.21 5.49 -4.23 -1.26 -4.14 115.64 113.02 2gbt s THR 39 Ca 0.41 1.19 -0.32 0.00 -1.18 0.00 0.00 61.69 61.79 2gbt s THR 39 Cb -0.10 -3.59 -0.14 0.00 1.34 0.00 0.00 72.50 70.02 2gbt s THR 39 CO 0.36 -0.05 1.43 1.21 -0.54 0.00 0.00 174.62 177.03 2gbt n GLU 40 N -0.33 1.99 0.00 3.99 2.13 -1.26 -4.64 120.64 122.51 2gbt n GLU 40 Ca 0.06 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.59 2gbt n GLU 40 Cb 0.50 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.83 2gbt n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gbt n GLY 41 N 2.44 0.38 3.79 8.31 0.00 -0.53 -4.94 105.19 114.63 2gbt n GLY 41 Ca 0.13 -2.29 -0.39 0.00 0.00 0.00 0.00 46.02 43.47 2gbt n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gbt s LEU 42 N 0.00 4.56 -0.04 0.99 1.43 -1.26 -1.03 118.68 123.33 2gbt s LEU 42 Ca 0.00 1.57 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 2gbt s LEU 42 Cb 0.00 -3.27 0.02 0.00 0.03 0.00 0.00 46.19 42.97 2gbt s LEU 42 CO 0.00 0.20 -0.03 -1.00 0.23 0.00 0.00 176.35 175.75 2gbt s HIS 43 N -1.19 0.60 0.38 0.29 3.76 -0.12 -2.35 115.29 116.66 2gbt s HIS 43 Ca 0.36 -0.14 -0.27 0.00 -0.15 0.00 0.00 55.06 54.86 2gbt s HIS 43 Cb -0.22 -0.60 -0.11 0.00 1.11 0.00 0.00 32.58 32.76 2gbt s HIS 43 CO 0.25 -0.19 1.29 0.41 -0.85 0.00 0.00 174.74 175.65 2gbt n GLY 44 N 4.19 0.61 2.61 -2.22 0.00 0.08 -1.15 105.19 109.31 2gbt n GLY 44 Ca -0.23 0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 2gbt n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gbt s PHE 45 N -1.14 0.16 0.03 1.61 5.36 -0.04 -0.63 117.98 123.33 2gbt s PHE 45 Ca 0.57 -0.46 -0.00 0.00 -0.96 0.00 0.00 56.93 56.08 2gbt s PHE 45 Cb -0.54 -0.72 -0.03 0.00 -0.34 0.00 0.00 43.02 41.39 2gbt s PHE 45 CO 0.61 -0.66 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.67 2gbt s HIS 46 N 2.15 0.36 -0.22 10.12 3.76 -0.80 -2.86 115.29 127.80 2gbt s HIS 46 Ca 0.05 -0.73 -0.16 0.00 -0.15 0.00 0.00 55.06 54.08 2gbt s HIS 46 Cb -0.16 -0.27 -0.04 0.00 1.11 0.00 0.00 32.58 33.23 2gbt s HIS 46 CO -0.21 -0.26 0.39 0.08 -0.85 0.00 0.00 174.74 173.90 2gbt s VAL 47 N -2.38 5.19 0.22 -0.90 1.01 -0.59 -0.97 120.40 121.98 2gbt s VAL 47 Ca -0.07 0.68 0.05 0.00 0.00 0.00 0.00 61.98 62.63 2gbt s VAL 47 Cb -0.03 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2gbt s VAL 47 CO -0.04 0.23 0.33 -1.00 0.00 0.00 0.00 175.10 174.61 2gbt s HIS 48 N 1.49 3.43 0.18 5.22 3.76 0.16 -1.15 115.29 128.38 2gbt s HIS 48 Ca 0.18 0.01 -0.12 0.00 -0.15 0.00 0.00 55.06 54.98 2gbt s HIS 48 Cb -0.15 -1.58 0.09 0.00 1.11 0.00 0.00 32.58 32.05 2gbt s HIS 48 CO 0.08 0.46 1.77 1.49 -0.85 0.00 0.00 174.74 177.70 2gbt h GLU 49 N 1.44 0.86 -5.97 1.40 4.81 -0.73 -2.72 114.58 113.68 2gbt h GLU 49 Ca -0.51 -0.12 -0.68 0.00 -0.13 0.00 0.00 59.36 57.93 2gbt h GLU 49 Cb 1.22 -0.16 -0.21 0.00 0.63 0.00 0.00 28.75 30.23 2gbt h GLU 49 CO 0.63 0.68 -0.72 -0.06 -0.73 0.00 0.00 179.01 178.81 2gbt s PHE 50 N -5.76 2.88 -0.57 0.92 0.08 -0.47 -4.67 117.98 110.39 2gbt s PHE 50 Ca -0.13 -0.15 -0.06 0.00 0.12 0.00 0.00 56.93 56.72 2gbt s PHE 50 Cb 0.13 -1.74 -0.06 0.00 -0.57 0.00 0.00 43.02 40.78 2gbt s PHE 50 CO 0.78 0.18 3.03 0.41 -0.10 0.00 0.00 175.22 179.52 2gbt n GLY 51 N 2.58 4.01 3.11 4.36 0.00 -0.95 -3.69 105.19 114.62 2gbt n GLY 51 Ca -0.18 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 2gbt n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gbt s ASP 52 N 1.13 3.74 -0.19 1.61 -1.08 -1.26 -4.96 116.67 115.67 2gbt s ASP 52 Ca 0.62 -0.94 0.16 0.00 -0.52 0.00 0.00 52.55 51.87 2gbt s ASP 52 Cb 0.31 -1.53 0.48 0.00 -1.46 0.00 0.00 42.92 40.72 2gbt s ASP 52 CO -0.11 -0.08 1.37 -3.20 0.52 0.00 0.00 175.17 173.67 2gbt n ASN 53 N 4.56 3.34 -0.31 -0.34 4.05 -1.26 -2.65 115.26 122.65 2gbt n ASN 53 Ca -0.18 -3.16 -0.01 0.00 0.45 0.00 0.00 54.58 51.68 2gbt n ASN 53 Cb 0.47 -0.54 0.17 0.00 1.23 0.00 0.00 39.78 41.11 2gbt n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2gbt h THR 54 N 1.31 1.22 -1.46 -0.44 1.35 -1.93 -2.62 112.91 110.33 2gbt h THR 54 Ca 0.03 -0.41 -0.59 0.00 -0.55 0.00 0.00 66.41 64.89 2gbt h THR 54 Cb 1.39 -0.09 -0.42 0.00 -1.73 0.00 0.00 68.15 67.30 2gbt h THR 54 CO 0.20 0.22 -0.68 0.00 -0.25 0.00 0.00 175.52 175.01 2gbt n ALA 55 N -2.40 5.11 -0.49 6.62 0.00 -1.26 -5.07 120.51 123.02 2gbt n ALA 55 Ca 0.10 -4.28 0.00 0.00 0.00 0.00 0.00 53.44 49.27 2gbt n ALA 55 Cb 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2gbt n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbt n GLY 56 N -0.50 0.10 0.21 0.00 0.00 -0.99 -3.61 105.19 100.40 2gbt n GLY 56 Ca 0.40 -0.94 0.15 0.00 0.00 0.00 0.00 46.02 45.63 2gbt n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gbt h THR 58 N 0.00 1.22 0.00 0.00 1.35 -1.91 -2.83 112.91 110.74 2gbt h THR 58 Ca 0.00 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 2gbt h THR 58 Cb 0.54 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2gbt h THR 58 CO 0.00 0.31 0.00 0.28 -0.25 0.00 0.00 175.52 175.86 2gbt h SER 59 N 0.04 0.00 0.35 5.36 0.02 -1.63 -2.64 113.55 115.04 2gbt h SER 59 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gbt h SER 59 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2gbt h SER 59 CO 0.04 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.73 2gbt n ALA 60 N -2.04 1.36 -0.40 3.77 0.00 -1.07 -4.51 120.51 117.62 2gbt n ALA 60 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2gbt n ALA 60 Cb 0.21 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2gbt n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbt n GLY 61 N -0.65 -0.32 3.88 0.00 0.00 -1.00 -1.37 105.19 105.73 2gbt n GLY 61 Ca 0.01 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 2gbt n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gbt s PRO 62 N 0.00 0.86 0.29 1.61 0.04 -1.26 -4.63 135.00 131.91 2gbt s PRO 62 Ca 0.00 -0.18 -0.29 0.00 0.04 0.00 0.00 61.00 60.57 2gbt s PRO 62 Cb 0.00 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.56 2gbt s PRO 62 CO 0.00 -2.30 1.24 0.72 0.04 0.00 0.00 177.00 176.70 2gbt n HIS 63 N -3.74 1.95 -2.05 0.56 8.25 -1.26 -0.59 115.22 118.34 2gbt n HIS 63 Ca 0.12 0.57 -0.43 0.00 -0.26 0.00 0.00 57.72 57.72 2gbt n HIS 63 Cb 0.60 -2.38 -0.03 0.00 1.12 0.00 0.00 29.99 29.30 2gbt n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2gbt s PHE 64 N -0.78 1.98 -0.39 4.41 5.36 -0.30 -4.49 117.98 123.76 2gbt s PHE 64 Ca 0.60 0.48 0.10 0.00 -0.96 0.00 0.00 56.93 57.15 2gbt s PHE 64 Cb -0.64 -4.00 0.31 0.00 -0.34 0.00 0.00 43.02 38.36 2gbt s PHE 64 CO 0.58 -3.19 0.72 -1.71 -1.46 0.00 0.00 175.22 170.16 2gbt n ASN 65 N 8.65 0.05 0.27 6.13 5.15 -1.26 -1.14 115.26 133.10 2gbt n ASN 65 Ca 0.20 -3.02 0.14 0.00 -0.60 0.00 0.00 54.58 51.30 2gbt n ASN 65 Cb 0.45 -0.18 0.75 0.00 -0.53 0.00 0.00 39.78 40.26 2gbt n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2gbt h PRO 66 N 3.35 0.00 -0.31 1.20 0.13 -1.98 -2.32 132.00 132.06 2gbt h PRO 66 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2gbt h PRO 66 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2gbt h PRO 66 CO 0.44 0.11 0.00 1.28 -0.23 0.00 0.00 178.00 179.59 2gbt n LEU 67 N -3.54 2.44 -3.63 1.56 4.77 -1.26 -4.97 117.00 112.36 2gbt n LEU 67 Ca -0.02 -1.08 -0.21 0.00 -0.03 0.00 0.00 56.01 54.67 2gbt n LEU 67 Cb 0.24 -0.20 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2gbt n LEU 67 CO 0.29 0.54 -0.04 -1.20 -1.33 0.00 0.00 177.39 175.65 2gbt n SER 68 N 0.83 -2.07 -4.97 -1.43 7.64 -0.87 -5.00 113.62 107.74 2gbt n SER 68 Ca 0.17 -0.81 -0.19 0.00 1.01 0.00 0.00 58.87 59.06 2gbt n SER 68 Cb 0.43 -4.21 0.00 0.00 -1.01 0.00 0.00 64.21 59.42 2gbt n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2gbt s ARG 69 N -5.78 2.68 0.49 1.43 1.81 -1.26 -5.12 118.95 113.21 2gbt s ARG 69 Ca 0.08 -1.38 -0.13 0.00 -1.72 0.00 0.00 55.73 52.58 2gbt s ARG 69 Cb -0.02 -2.62 -0.07 0.00 -0.45 0.00 0.00 34.95 31.79 2gbt s ARG 69 CO 0.80 -0.31 0.91 0.15 -0.68 0.00 0.00 175.30 176.17 2gbt s LYS 70 N -4.31 3.82 0.33 3.54 1.02 -1.26 -4.72 119.74 118.16 2gbt s LYS 70 Ca 0.53 0.73 -0.29 0.00 0.02 0.00 0.00 55.97 56.96 2gbt s LYS 70 Cb -0.07 -2.22 -0.10 0.00 -0.52 0.00 0.00 37.83 34.91 2gbt s LYS 70 CO 0.32 -0.24 1.31 -1.58 -0.92 0.00 0.00 175.35 174.23 2gbt s HIS 71 N -2.64 3.05 0.00 3.18 5.65 -1.05 -3.21 115.29 120.26 2gbt s HIS 71 Ca 0.55 1.41 0.00 0.00 0.25 0.00 0.00 55.06 57.28 2gbt s HIS 71 Cb -0.10 -3.68 0.00 0.00 -1.18 0.00 0.00 32.58 27.62 2gbt s HIS 71 CO 0.36 -1.86 0.00 0.41 -0.65 0.00 0.00 174.74 173.00 2gbt n GLY 72 N 0.80 2.52 3.92 1.59 0.00 -1.25 -4.48 105.19 108.28 2gbt n GLY 72 Ca -0.00 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 2gbt n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gbt s GLY 73 N -0.96 1.60 0.53 -0.02 0.00 -1.25 -4.79 107.32 102.44 2gbt s GLY 73 Ca 0.00 -0.67 0.19 0.00 0.00 0.00 0.00 44.72 44.24 2gbt s GLY 73 CO 0.00 -0.39 2.16 -0.56 0.00 0.00 0.00 173.10 174.31 2gbt h PRO 74 N -0.17 0.00 0.00 2.90 0.13 -1.88 -1.42 132.00 131.57 2gbt h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2gbt h PRO 74 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2gbt h PRO 74 CO 0.61 0.01 -0.02 1.63 -0.23 0.00 0.00 178.00 180.00 2gbt n LYS 75 N -4.36 0.17 -2.65 0.86 5.02 -1.26 -4.89 118.16 111.05 2gbt n LYS 75 Ca -0.03 0.14 -0.37 0.00 -2.02 0.00 0.00 58.31 56.03 2gbt n LYS 75 Cb 0.10 -1.70 -0.05 0.00 -0.02 0.00 0.00 35.03 33.36 2gbt n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gbt s ASP 76 N -4.00 7.07 0.15 4.39 1.01 -0.54 -4.96 116.67 119.79 2gbt s ASP 76 Ca 0.12 1.95 -0.09 0.00 0.71 0.00 0.00 52.55 55.24 2gbt s ASP 76 Cb 0.15 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.48 2gbt s ASP 76 CO 0.58 -0.27 1.47 -0.08 0.21 0.00 0.00 175.17 177.08 2gbt h GLU 77 N 2.89 0.84 -5.49 8.23 4.81 -1.90 -3.38 114.58 120.58 2gbt h GLU 77 Ca -0.47 -0.48 -0.63 0.00 -0.13 0.00 0.00 59.36 57.65 2gbt h GLU 77 Cb 1.20 0.04 -0.14 0.00 0.63 0.00 0.00 28.75 30.48 2gbt h GLU 77 CO 0.64 1.12 0.53 -2.00 -0.73 0.00 0.00 179.01 178.57 2gbt s GLU 78 N -4.24 3.14 0.19 1.92 2.56 -1.26 -4.98 118.70 116.03 2gbt s GLU 78 Ca -0.10 -0.75 -0.22 0.00 0.00 0.00 0.00 54.97 53.91 2gbt s GLU 78 Cb 0.11 -4.20 0.05 0.00 2.00 0.00 0.00 34.13 32.10 2gbt s GLU 78 CO 0.88 -1.75 0.61 -0.98 -0.56 0.00 0.00 175.26 173.46 2gbt s ARG 79 N 4.00 1.38 0.55 4.30 1.04 -1.20 -3.83 118.95 125.20 2gbt s ARG 79 Ca 0.23 -0.62 -0.18 0.00 -1.04 0.00 0.00 55.73 54.12 2gbt s ARG 79 Cb -0.16 0.58 -0.06 0.00 -2.04 0.00 0.00 34.95 33.27 2gbt s ARG 79 CO 0.12 -0.61 1.05 -1.01 -0.04 0.00 0.00 175.30 174.81 2gbt s HIS 80 N -3.80 2.99 0.29 5.89 3.76 -1.23 -4.69 115.29 118.50 2gbt s HIS 80 Ca 0.04 1.54 0.04 0.00 -0.15 0.00 0.00 55.06 56.52 2gbt s HIS 80 Cb -0.02 -3.04 0.66 0.00 1.11 0.00 0.00 32.58 31.29 2gbt s HIS 80 CO -0.08 -1.00 1.79 0.28 -0.85 0.00 0.00 174.74 174.88 2gbt h VAL 81 N 0.93 0.77 0.00 -0.90 2.07 -1.88 -1.99 116.25 115.25 2gbt h VAL 81 Ca -0.48 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2gbt h VAL 81 Cb 1.22 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2gbt h VAL 81 CO 0.58 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.93 2gbt n GLY 82 N -1.33 -0.89 3.53 2.17 0.00 -0.29 -4.42 105.19 103.95 2gbt n GLY 82 Ca 0.21 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2gbt n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gbt s ASP 83 N -1.76 6.71 -0.12 1.61 1.01 -0.75 -1.54 116.67 121.83 2gbt s ASP 83 Ca 0.31 -2.08 0.15 0.00 0.71 0.00 0.00 52.55 51.64 2gbt s ASP 83 Cb 0.14 -2.51 0.63 0.00 1.01 0.00 0.00 42.92 42.19 2gbt s ASP 83 CO 0.24 -1.21 1.50 0.18 0.21 0.00 0.00 175.17 176.10 2gbt n LEU 84 N 7.77 4.28 0.00 1.23 4.77 -1.14 -3.50 117.00 130.41 2gbt n LEU 84 Ca 0.36 -2.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.18 2gbt n LEU 84 Cb 0.48 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2gbt n LEU 84 CO 0.65 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.99 2gbt n GLY 85 N 0.91 1.40 3.19 -0.72 0.00 -1.18 -4.77 105.19 104.02 2gbt n GLY 85 Ca 0.22 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 2gbt n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gbt s ASN 86 N -4.00 1.86 0.09 1.61 0.01 -1.26 -0.86 114.94 112.38 2gbt s ASN 86 Ca 0.00 -0.60 0.04 0.00 -0.71 0.00 0.00 52.86 51.59 2gbt s ASN 86 Cb 0.00 -0.08 -0.04 0.00 0.41 0.00 0.00 41.25 41.54 2gbt s ASN 86 CO 0.00 -0.03 0.03 0.68 -1.51 0.00 0.00 177.10 176.27 2gbt s VAL 87 N -1.17 4.21 -0.22 1.60 -7.23 -0.30 -4.91 120.40 112.38 2gbt s VAL 87 Ca 0.00 -0.90 -0.04 0.00 -1.81 0.00 0.00 61.98 59.23 2gbt s VAL 87 Cb -0.10 -3.01 -0.01 0.00 0.56 0.00 0.00 36.38 33.82 2gbt s VAL 87 CO 0.02 0.12 -0.03 -0.89 -0.31 0.00 0.00 175.10 174.02 2gbt s THR 88 N -1.34 3.56 -0.04 5.32 2.01 -1.26 -0.95 115.64 122.94 2gbt s THR 88 Ca 0.27 -0.43 -0.16 0.00 0.31 0.00 0.00 61.69 61.68 2gbt s THR 88 Cb -0.12 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 2gbt s THR 88 CO 0.20 0.42 0.42 0.00 -0.69 0.00 0.00 174.62 174.96 2gbt s ALA 89 N 1.39 3.63 1.02 7.40 0.00 -0.20 -4.21 121.76 130.79 2gbt s ALA 89 Ca 0.05 -0.22 -0.10 0.00 0.00 0.00 0.00 51.96 51.68 2gbt s ALA 89 Cb -0.14 -2.46 0.14 0.00 0.00 0.00 0.00 23.12 20.66 2gbt s ALA 89 CO -0.01 0.32 0.80 -0.40 0.00 0.00 0.00 175.76 176.47 2gbt n ASP 90 N 2.43 -0.12 0.31 0.00 5.68 -0.53 -1.45 116.55 122.88 2gbt n ASP 90 Ca -0.12 -1.25 0.21 0.00 -0.50 0.00 0.00 54.79 53.12 2gbt n ASP 90 Cb 0.52 -0.62 1.04 0.00 -1.14 0.00 0.00 41.12 40.92 2gbt n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2gbt h LYS 91 N 0.00 0.00 -0.03 0.11 2.10 -1.97 -0.03 116.57 116.75 2gbt h LYS 91 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2gbt h LYS 91 Cb 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 2gbt h LYS 91 CO 0.18 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.38 2gbt n ASP 92 N -3.05 1.40 0.00 7.07 8.00 -1.26 -4.87 116.55 123.84 2gbt n ASP 92 Ca -0.02 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 53.99 2gbt n ASP 92 Cb 0.14 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 2gbt n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gbt n GLY 93 N 1.15 0.44 3.48 0.44 0.00 -0.02 -4.77 105.19 105.91 2gbt n GLY 93 Ca 0.19 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 2gbt n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gbt s VAL 94 N -2.00 4.15 -0.40 1.61 1.01 -1.26 -1.94 120.40 121.57 2gbt s VAL 94 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 2gbt s VAL 94 Cb 0.00 -2.88 0.05 0.00 0.00 0.00 0.00 36.38 33.54 2gbt s VAL 94 CO 0.00 0.42 0.24 0.00 0.00 0.00 0.00 175.10 175.76 2gbt s ALA 95 N 0.97 3.30 -0.21 5.51 0.00 0.16 -1.45 121.76 130.05 2gbt s ALA 95 Ca 0.02 -1.88 -0.29 0.00 0.00 0.00 0.00 51.96 49.81 2gbt s ALA 95 Cb -0.14 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.33 2gbt s ALA 95 CO 0.02 -1.50 1.09 0.34 0.00 0.00 0.00 175.76 175.71 2gbt s ASP 96 N 1.80 7.07 -0.21 0.00 2.15 -1.26 -0.79 116.67 125.43 2gbt s ASP 96 Ca 0.02 1.46 -0.08 0.00 0.43 0.00 0.00 52.55 54.38 2gbt s ASP 96 Cb -0.21 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.83 2gbt s ASP 96 CO 0.05 -0.68 0.09 -0.69 -0.17 0.00 0.00 175.17 173.78 2gbt s VAL 97 N 3.19 4.88 -0.29 1.11 1.01 0.41 -4.81 120.40 125.90 2gbt s VAL 97 Ca 0.47 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.46 2gbt s VAL 97 Cb -0.17 -3.23 0.15 0.00 0.00 0.00 0.00 36.38 33.13 2gbt s VAL 97 CO 0.09 0.41 0.37 -0.55 0.00 0.00 0.00 175.10 175.42 2gbt s SER 98 N 0.77 0.76 0.06 3.32 0.15 -1.25 -1.61 113.70 115.91 2gbt s SER 98 Ca 0.05 -0.45 -0.03 0.00 0.70 0.00 0.00 55.95 56.22 2gbt s SER 98 Cb -0.13 0.93 -0.03 0.00 -1.71 0.00 0.00 66.02 65.07 2gbt s SER 98 CO 0.02 -0.36 0.02 0.27 1.20 0.00 0.00 173.24 174.39 2gbt s ILE 99 N 2.49 0.20 -0.03 6.45 -4.36 0.07 -5.02 121.20 121.00 2gbt s ILE 99 Ca 0.10 -1.70 0.07 0.00 -0.26 0.00 0.00 60.65 58.86 2gbt s ILE 99 Cb -0.13 -1.53 -0.02 0.00 1.25 0.00 0.00 42.46 42.04 2gbt s ILE 99 CO -0.30 -0.89 -0.23 -1.61 0.24 0.00 0.00 174.94 172.15 2gbt s GLU 100 N -3.92 1.94 -0.02 0.37 2.02 -1.26 -0.18 118.70 117.65 2gbt s GLU 100 Ca 0.08 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.27 2gbt s GLU 100 Cb 0.07 -1.82 0.01 0.00 0.10 0.00 0.00 34.13 32.49 2gbt s GLU 100 CO -0.09 0.46 -0.03 0.34 0.02 0.00 0.00 175.26 175.95 2gbt s ASP 101 N -0.44 0.56 0.00 -0.19 2.15 -0.17 -4.96 116.67 113.62 2gbt s ASP 101 Ca 0.06 -0.07 0.15 0.00 0.43 0.00 0.00 52.55 53.12 2gbt s ASP 101 Cb -0.10 -0.17 0.20 0.00 -0.30 0.00 0.00 42.92 42.55 2gbt s ASP 101 CO -0.00 -0.01 1.09 -1.20 -0.17 0.00 0.00 175.17 174.88 2gbt n SER 102 N 3.49 2.56 -0.11 -0.34 7.64 -1.26 -0.09 113.62 125.51 2gbt n SER 102 Ca -0.19 -1.74 -0.22 0.00 1.01 0.00 0.00 58.87 57.73 2gbt n SER 102 Cb 0.55 -0.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.56 2gbt n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2gbt n VAL 103 N 0.89 1.52 -1.45 0.44 0.31 -1.26 -4.92 118.33 113.86 2gbt n VAL 103 Ca 0.11 -0.10 -0.34 0.00 -0.01 0.00 0.00 64.34 64.00 2gbt n VAL 103 Cb 0.42 -2.04 0.09 0.00 -0.91 0.00 0.00 33.84 31.40 2gbt n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2gbt s ILE 104 N -2.42 2.51 0.04 2.52 -4.36 -1.26 -5.03 121.20 113.21 2gbt s ILE 104 Ca -0.30 0.24 -0.03 0.00 -0.26 0.00 0.00 60.65 60.29 2gbt s ILE 104 Cb 0.08 -2.76 -0.02 0.00 1.25 0.00 0.00 42.46 41.01 2gbt s ILE 104 CO 0.52 -0.14 0.04 -0.55 0.24 0.00 0.00 174.94 175.04 2gbt s SER 105 N -2.21 0.31 0.00 4.36 0.15 -1.26 -4.59 113.70 110.45 2gbt s SER 105 Ca 0.72 -0.72 0.25 0.00 0.70 0.00 0.00 55.95 56.89 2gbt s SER 105 Cb -0.27 0.21 0.42 0.00 -1.71 0.00 0.00 66.02 64.67 2gbt s SER 105 CO 0.45 -0.53 1.36 0.18 1.20 0.00 0.00 173.24 175.90 2gbt n LEU 106 N 0.55 1.82 -4.25 3.45 4.77 -1.26 -1.14 117.00 120.95 2gbt n LEU 106 Ca -0.17 -0.61 -0.14 0.00 -0.03 0.00 0.00 56.01 55.05 2gbt n LEU 106 Cb 0.59 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.55 2gbt n LEU 106 CO 0.24 0.33 -0.23 -0.94 -1.33 0.00 0.00 177.39 175.46 2gbt s SER 107 N -2.33 0.65 0.00 -1.43 1.04 -1.26 -4.62 113.70 105.75 2gbt s SER 107 Ca 0.25 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.24 2gbt s SER 107 Cb 0.19 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2gbt s SER 107 CO 0.47 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.46 2gbt n GLY 108 N -0.37 -0.67 0.34 7.32 0.00 -1.26 -3.83 105.19 106.71 2gbt n GLY 108 Ca 0.02 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.42 2gbt n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gbt h ASP 109 N 0.00 0.21 -0.54 1.61 5.19 -2.01 -2.13 116.42 118.76 2gbt h ASP 109 Ca 0.00 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.31 2gbt h ASP 109 Cb 0.00 -0.04 -0.06 0.00 0.18 0.00 0.00 39.33 39.41 2gbt h ASP 109 CO 0.00 0.13 0.10 1.41 -3.12 0.00 0.00 179.24 177.76 2gbt n HIS 110 N -4.46 1.85 -1.64 4.55 8.25 -1.26 -5.02 115.22 117.49 2gbt n HIS 110 Ca 0.07 -1.03 -0.39 0.00 -0.26 0.00 0.00 57.72 56.10 2gbt n HIS 110 Cb 0.35 -0.53 0.03 0.00 1.12 0.00 0.00 29.99 30.96 2gbt n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gbt n ALA 111 N -0.14 0.45 1.22 -1.41 0.00 -0.80 -4.60 120.51 115.22 2gbt n ALA 111 Ca 0.32 0.12 0.13 0.00 0.00 0.00 0.00 53.44 54.01 2gbt n ALA 111 Cb 1.18 -2.14 0.35 0.00 0.00 0.00 0.00 19.45 18.84 2gbt n ALA 111 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2gbt n ILE 112 N -1.05 0.00 -1.71 0.00 -5.35 -0.29 -4.88 119.36 106.08 2gbt n ILE 112 Ca 0.11 -0.13 -0.43 0.00 -0.27 0.00 0.00 62.75 62.03 2gbt n ILE 112 Cb 0.43 0.44 -0.03 0.00 -1.74 0.00 0.00 39.64 38.74 2gbt n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2gbt n ILE 113 N -0.67 0.13 -0.57 7.28 5.41 -1.26 -1.58 119.36 128.10 2gbt n ILE 113 Ca 0.12 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.83 2gbt n ILE 113 Cb 0.35 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.42 2gbt n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2gbt n GLY 114 N 3.60 0.80 2.48 7.39 0.00 0.46 -5.00 105.19 114.92 2gbt n GLY 114 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 2gbt n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbt n ARG 115 N -2.00 0.86 -5.06 1.61 1.74 -0.62 -2.23 116.66 110.96 2gbt n ARG 115 Ca 0.00 -2.10 -0.32 0.00 -0.77 0.00 0.00 57.85 54.65 2gbt n ARG 115 Cb 0.00 0.04 -0.16 0.00 -1.02 0.00 0.00 32.46 31.32 2gbt n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2gbt s THR 116 N -1.52 2.46 -0.13 0.55 2.01 -1.03 0.14 115.64 118.12 2gbt s THR 116 Ca 0.30 -0.89 -0.18 0.00 0.31 0.00 0.00 61.69 61.23 2gbt s THR 116 Cb -0.02 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 2gbt s THR 116 CO 0.19 0.55 0.47 -0.22 -0.69 0.00 0.00 174.62 174.92 2gbt s LEU 117 N 0.15 4.26 -0.02 4.42 2.96 -0.51 0.39 118.68 130.33 2gbt s LEU 117 Ca -0.11 0.78 0.06 0.00 -0.22 0.00 0.00 54.13 54.65 2gbt s LEU 117 Cb -0.16 -2.68 -0.01 0.00 0.50 0.00 0.00 46.19 43.84 2gbt s LEU 117 CO 0.06 -0.01 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.19 2gbt s VAL 118 N 0.72 1.57 -0.08 1.68 1.01 -0.14 -1.91 120.40 123.26 2gbt s VAL 118 Ca 0.25 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2gbt s VAL 118 Cb -0.15 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 2gbt s VAL 118 CO 0.10 0.45 -0.10 0.54 0.00 0.00 0.00 175.10 176.09 2gbt s VAL 119 N -0.43 3.43 0.29 2.92 0.11 -0.64 -1.91 120.40 124.18 2gbt s VAL 119 Ca 0.07 -0.57 0.08 0.00 -2.93 0.00 0.00 61.98 58.62 2gbt s VAL 119 Cb -0.08 -2.40 -0.03 0.00 -1.53 0.00 0.00 36.38 32.33 2gbt s VAL 119 CO -0.00 0.58 0.19 -1.00 -3.33 0.00 0.00 175.10 171.53 2gbt s HIS 120 N -0.52 2.93 0.20 1.54 3.76 0.20 -1.15 115.29 122.26 2gbt s HIS 120 Ca 0.07 -0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 54.65 2gbt s HIS 120 Cb -0.12 -1.53 0.17 0.00 1.11 0.00 0.00 32.58 32.22 2gbt s HIS 120 CO 0.02 0.41 1.84 1.49 -0.85 0.00 0.00 174.74 177.64 2gbt h GLU 121 N 1.48 0.77 -5.34 1.40 4.81 -0.64 -3.37 114.58 113.69 2gbt h GLU 121 Ca -0.46 -0.05 -0.59 0.00 -0.13 0.00 0.00 59.36 58.13 2gbt h GLU 121 Cb 1.25 -0.17 -0.13 0.00 0.63 0.00 0.00 28.75 30.32 2gbt h GLU 121 CO 0.60 0.51 -0.57 0.15 -0.73 0.00 0.00 179.01 178.98 2gbt s LYS 122 N -6.12 1.94 0.36 1.92 1.02 0.50 -4.91 119.74 114.45 2gbt s LYS 122 Ca -0.13 -2.14 -0.28 0.00 0.02 0.00 0.00 55.97 53.44 2gbt s LYS 122 Cb 0.15 -1.26 -0.10 0.00 -0.52 0.00 0.00 37.83 36.10 2gbt s LYS 122 CO 0.76 -0.23 1.36 0.00 -0.92 0.00 0.00 175.35 176.33 2gbt s ALA 123 N -2.98 3.46 -0.09 5.17 0.00 -0.99 -0.74 121.76 125.59 2gbt s ALA 123 Ca 0.26 1.36 -0.30 0.00 0.00 0.00 0.00 51.96 53.28 2gbt s ALA 123 Cb 0.06 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2gbt s ALA 123 CO 0.13 -0.82 1.39 0.34 0.00 0.00 0.00 175.76 176.80 2gbt s ASP 124 N -0.43 6.86 0.00 0.00 -1.08 -1.26 -3.97 116.67 116.79 2gbt s ASP 124 Ca 0.52 1.94 0.31 0.00 -0.52 0.00 0.00 52.55 54.79 2gbt s ASP 124 Cb -0.42 -2.54 1.75 0.00 -1.46 0.00 0.00 42.92 40.25 2gbt s ASP 124 CO 0.55 -0.78 2.14 -0.90 0.52 0.00 0.00 175.17 176.70 2gbt n ASP 125 N 6.36 0.20 -1.45 -0.34 5.68 0.00 -4.91 116.55 122.09 2gbt n ASP 125 Ca 0.14 -1.09 -0.15 0.00 -0.50 0.00 0.00 54.79 53.19 2gbt n ASP 125 Cb 0.44 -0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.38 2gbt n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2gbt n LEU 126 N -0.83 -1.39 0.00 -2.12 4.77 -1.26 -1.91 117.00 114.25 2gbt n LEU 126 Ca 0.23 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2gbt n LEU 126 Cb 0.14 -2.27 0.00 0.00 -2.33 0.00 0.00 43.42 38.96 2gbt n LEU 126 CO 0.17 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.34 2gbt n GLY 127 N -1.05 0.70 1.42 -0.72 0.00 -1.23 -3.77 105.19 100.53 2gbt n GLY 127 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 2gbt n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gbt n LYS 128 N -2.55 2.46 0.00 1.61 4.76 -0.80 -4.55 118.16 119.09 2gbt n LYS 128 Ca 0.00 -3.58 0.12 0.00 -2.87 0.00 0.00 58.31 51.98 2gbt n LYS 128 Cb 0.00 -1.97 0.21 0.00 -1.84 0.00 0.00 35.03 31.43 2gbt n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gbt n GLY 129 N -0.96 0.17 2.07 0.72 0.00 -1.26 -4.99 105.19 100.94 2gbt n GLY 129 Ca 0.36 -0.57 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 2gbt n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbt n GLY 130 N 1.33 0.25 3.61 -0.02 0.00 -1.26 -4.98 105.19 104.12 2gbt n GLY 130 Ca 0.13 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 2gbt n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbt s ASN 131 N -2.84 0.12 0.19 1.61 2.20 -1.26 -5.05 114.94 109.90 2gbt s ASN 131 Ca 0.00 -1.05 -0.11 0.00 -0.94 0.00 0.00 52.86 50.76 2gbt s ASN 131 Cb 0.00 0.64 0.18 0.00 -2.00 0.00 0.00 41.25 40.07 2gbt s ASN 131 CO 0.00 -1.25 1.79 -0.08 -2.94 0.00 0.00 177.10 174.63 2gbt h GLU 132 N 2.18 0.56 -0.06 3.55 4.57 -2.01 -2.54 114.58 120.83 2gbt h GLU 132 Ca -0.27 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 57.81 2gbt h GLU 132 Cb 1.25 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 2gbt h GLU 132 CO 0.36 0.37 -0.28 1.49 -1.18 0.00 0.00 179.01 179.77 2gbt h GLU 133 N 0.58 0.11 -0.68 1.92 4.57 -1.99 -2.90 114.58 116.19 2gbt h GLU 133 Ca 0.25 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.47 2gbt h GLU 133 Cb 0.15 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.67 2gbt h GLU 133 CO -0.17 0.39 0.36 1.03 -1.18 0.00 0.00 179.01 179.45 2gbt h SER 134 N 0.10 0.51 -0.08 1.04 0.87 -1.79 0.64 113.55 114.85 2gbt h SER 134 Ca 0.02 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2gbt h SER 134 Cb 0.56 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2gbt h SER 134 CO 0.04 0.32 0.00 0.35 -0.53 0.00 0.00 176.83 177.01 2gbt n THR 135 N -4.82 0.10 -0.08 2.23 -2.24 -1.10 -1.39 114.28 106.98 2gbt n THR 135 Ca 0.09 -0.20 -0.17 0.00 -2.27 0.00 0.00 64.05 61.50 2gbt n THR 135 Cb 0.21 0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.51 2gbt n THR 135 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2gbt n LYS 136 N -0.13 0.36 0.00 -0.78 4.81 -0.79 -2.53 118.16 119.10 2gbt n LYS 136 Ca 0.17 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 2gbt n LYS 136 Cb 0.24 -1.14 0.00 0.00 0.02 0.00 0.00 35.03 34.16 2gbt n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2gbt n THR 137 N -3.61 0.00 -1.00 3.15 -2.24 0.15 -4.69 114.28 106.04 2gbt n THR 137 Ca -0.32 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2gbt n THR 137 Cb 0.75 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 70.15 2gbt n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gbt n GLY 138 N 0.26 0.57 3.82 3.38 0.00 -0.48 -4.19 105.19 108.55 2gbt n GLY 138 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2gbt n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gbt n ASN 139 N -0.01 -5.04 -0.31 1.61 3.02 -1.25 -0.82 115.26 112.45 2gbt n ASN 139 Ca 0.00 -0.72 0.14 0.00 -0.03 0.00 0.00 54.58 53.98 2gbt n ASN 139 Cb 0.01 -4.21 0.66 0.00 -0.61 0.00 0.00 39.78 35.62 2gbt n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gbt n ALA 140 N -4.75 2.61 -0.11 5.41 0.00 -1.25 -4.77 120.51 117.65 2gbt n ALA 140 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2gbt n ALA 140 Cb 0.54 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2gbt n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbt n GLY 141 N 1.11 -0.62 3.72 0.00 0.00 -1.26 -0.37 105.19 107.76 2gbt n GLY 141 Ca 0.20 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 2gbt n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gbt s SER 142 N -4.00 3.50 -0.32 1.61 1.04 -1.26 -4.64 113.70 109.63 2gbt s SER 142 Ca 0.00 1.52 -0.16 0.00 0.48 0.00 0.00 55.95 57.79 2gbt s SER 142 Cb 0.00 -2.20 -0.02 0.00 0.10 0.00 0.00 66.02 63.90 2gbt s SER 142 CO 0.00 -2.62 0.44 -0.13 0.98 0.00 0.00 173.24 171.90 2gbt s ARG 143 N -4.92 3.76 -0.03 4.02 0.52 -1.26 -0.45 118.95 120.60 2gbt s ARG 143 Ca 0.63 -0.12 -0.06 0.00 -0.52 0.00 0.00 55.73 55.66 2gbt s ARG 143 Cb -0.18 -3.75 -0.29 0.00 0.52 0.00 0.00 34.95 31.25 2gbt s ARG 143 CO 0.57 -0.48 0.74 -0.07 0.02 0.00 0.00 175.30 176.08 2gbt h LEU 144 N 8.84 0.48 -7.08 2.53 3.38 -1.43 -3.48 115.31 118.55 2gbt h LEU 144 Ca -0.29 -0.72 -0.05 0.00 0.09 0.00 0.00 57.88 56.90 2gbt h LEU 144 Cb 1.14 -0.16 -0.17 0.00 0.09 0.00 0.00 40.66 41.57 2gbt h LEU 144 CO 0.71 1.61 0.13 0.00 0.09 0.00 0.00 178.44 180.98 2gbt s ALA 145 N -2.60 -1.56 0.24 1.53 0.00 -1.17 -4.11 121.76 114.09 2gbt s ALA 145 Ca -0.13 0.90 -0.15 0.00 0.00 0.00 0.00 51.96 52.59 2gbt s ALA 145 Cb 0.06 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.47 2gbt s ALA 145 CO 0.85 -0.48 0.53 0.00 0.00 0.00 0.00 175.76 176.65 2gbt s GLY 147 N -2.98 -0.30 0.31 0.00 0.00 -0.80 -1.43 107.32 102.12 2gbt s GLY 147 Ca 0.18 2.15 -0.29 0.00 0.00 0.00 0.00 44.72 46.77 2gbt s GLY 147 CO 0.07 1.38 1.14 0.14 0.00 0.00 0.00 173.10 175.82 2gbt s VAL 148 N -0.50 3.33 -0.36 1.40 1.01 -1.26 -1.42 120.40 122.60 2gbt s VAL 148 Ca -0.01 1.30 -0.25 0.00 0.00 0.00 0.00 61.98 63.01 2gbt s VAL 148 Cb -0.02 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.56 2gbt s VAL 148 CO 0.00 0.28 0.90 -0.63 0.00 0.00 0.00 175.10 175.65 2gbt s ILE 149 N -1.21 4.62 0.21 2.22 1.01 0.12 -4.45 121.20 123.72 2gbt s ILE 149 Ca 0.47 1.16 0.09 0.00 0.00 0.00 0.00 60.65 62.38 2gbt s ILE 149 Cb -0.33 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.79 2gbt s ILE 149 CO 0.42 -0.50 -0.09 -0.83 0.00 0.00 0.00 174.94 173.94 2gbt s GLY 150 N 1.85 1.72 0.24 6.18 0.00 0.07 -0.40 107.32 116.98 2gbt s GLY 150 Ca 0.37 -1.57 -0.30 0.00 0.00 0.00 0.00 44.72 43.21 2gbt s GLY 150 CO 0.18 -1.61 1.51 -0.42 0.00 0.00 0.00 173.10 172.75 2gbt s ILE 151 N -1.95 2.53 0.24 0.90 1.01 -1.26 -0.80 121.20 121.85 2gbt s ILE 151 Ca 0.27 0.42 0.11 0.00 0.00 0.00 0.00 60.65 61.45 2gbt s ILE 151 Cb -0.08 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 2gbt s ILE 151 CO 0.16 0.06 -0.19 0.00 0.00 0.00 0.00 174.94 174.97 2gbt s ALA 152 N 0.30 2.49 -2.00 9.38 0.00 -0.78 -4.79 121.76 126.37 2gbt s ALA 152 Ca 0.63 -1.76 0.19 0.00 0.00 0.00 0.00 51.96 51.02 2gbt s ALA 152 Cb -0.44 -0.23 1.11 0.00 0.00 0.00 0.00 23.12 23.57 2gbt s ALA 152 CO 0.41 0.25 1.51 0.94 0.00 0.00 0.00 175.76 178.87