#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gmb s PRO 2 N 0.00 0.37 0.32 0.00 0.04 -1.26 -4.92 135.00 129.54 1gmb s PRO 2 Ca 0.00 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 1gmb s PRO 2 Cb 0.00 -1.68 -0.10 0.00 0.04 0.00 0.00 34.50 32.77 1gmb s PRO 2 CO 0.00 -2.97 1.22 0.00 0.04 0.00 0.00 177.00 175.29 1gmb s ALA 3 N -2.61 3.43 0.31 8.56 0.00 -1.26 -4.98 121.76 125.21 1gmb s ALA 3 Ca 0.67 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 53.44 1gmb s ALA 3 Cb -0.23 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.38 1gmb s ALA 3 CO 0.60 -0.46 1.26 0.54 0.00 0.00 0.00 175.76 177.71 1gmb s VAL 4 N -1.17 2.93 0.30 0.00 0.11 -1.26 -4.94 120.40 116.36 1gmb s VAL 4 Ca 0.48 0.92 -0.30 0.00 -2.93 0.00 0.00 61.98 60.15 1gmb s VAL 4 Cb -0.36 -3.59 -0.12 0.00 -1.53 0.00 0.00 36.38 30.78 1gmb s VAL 4 CO 0.47 0.21 1.47 -2.65 -3.33 0.00 0.00 175.10 171.28 1gmb n PRO 5 N 1.06 2.40 -0.22 1.54 -0.02 -1.26 -4.92 135.00 133.59 1gmb n PRO 5 Ca 0.00 0.85 0.11 0.00 -2.02 0.00 0.00 63.50 62.45 1gmb n PRO 5 Cb 0.43 -2.56 0.26 0.00 -0.02 0.00 0.00 33.50 31.61 1gmb n PRO 5 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1gmb n ASP 6 N 1.71 3.24 -4.05 2.55 5.75 -1.26 -4.62 116.55 119.87 1gmb n ASP 6 Ca 0.08 -1.96 -0.11 0.00 -0.01 0.00 0.00 54.79 52.79 1gmb n ASP 6 Cb 0.35 -0.29 -0.11 0.00 -1.03 0.00 0.00 41.12 40.05 1gmb n ASP 6 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1gmb s LYS 7 N -1.43 0.50 0.28 0.11 1.02 -1.26 -5.01 119.74 113.96 1gmb s LYS 7 Ca 0.39 -0.82 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 1gmb s LYS 7 Cb 0.22 -0.10 -0.13 0.00 -0.52 0.00 0.00 37.83 37.30 1gmb s LYS 7 CO 0.30 -0.01 1.36 -2.30 -0.92 0.00 0.00 175.35 173.79 1gmb n PRO 8 N 1.19 2.07 -4.27 -1.68 -0.02 -1.26 -4.77 135.00 126.27 1gmb n PRO 8 Ca -0.21 0.73 -0.23 0.00 -2.02 0.00 0.00 63.50 61.78 1gmb n PRO 8 Cb 0.56 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.62 1gmb n PRO 8 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1gmb s VAL 9 N -0.48 3.61 -0.08 -1.45 -7.23 -0.14 -4.84 120.40 109.79 1gmb s VAL 9 Ca 0.63 -1.83 -0.21 0.00 -1.81 0.00 0.00 61.98 58.75 1gmb s VAL 9 Cb -0.61 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.35 1gmb s VAL 9 CO 0.55 -0.37 0.61 -1.61 -0.31 0.00 0.00 175.10 173.97 1gmb s GLU 10 N -3.70 4.40 -0.50 4.82 2.02 -1.26 0.25 118.70 124.72 1gmb s GLU 10 Ca 0.32 0.71 -0.02 0.00 0.02 0.00 0.00 54.97 56.00 1gmb s GLU 10 Cb -0.07 -3.44 0.13 0.00 0.10 0.00 0.00 34.13 30.86 1gmb s GLU 10 CO 0.21 0.11 0.29 0.08 0.02 0.00 0.00 175.26 175.97 1gmb s VAL 11 N 0.70 3.32 -0.06 2.63 1.01 0.46 -4.92 120.40 123.54 1gmb s VAL 11 Ca 0.33 -2.55 -0.28 0.00 0.00 0.00 0.00 61.98 59.48 1gmb s VAL 11 Cb -0.17 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1gmb s VAL 11 CO 0.15 -0.77 0.92 -0.54 0.00 0.00 0.00 175.10 174.86 1gmb s LYS 12 N 0.52 4.47 0.00 2.72 1.02 -1.26 -1.48 119.74 125.73 1gmb s LYS 12 Ca 0.13 1.27 0.00 0.00 0.02 0.00 0.00 55.97 57.38 1gmb s LYS 12 Cb -0.22 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 1gmb s LYS 12 CO -0.04 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 1gmb n GLY 13 N 3.06 2.18 0.11 -3.33 0.00 0.40 -4.96 105.19 102.65 1gmb n GLY 13 Ca 0.05 -2.06 -0.02 0.00 0.00 0.00 0.00 46.02 44.00 1gmb n GLY 13 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gmb h SER 14 N 0.00 0.00 0.00 1.61 4.64 -1.97 -3.42 113.55 114.42 1gmb h SER 14 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gmb h SER 14 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1gmb h SER 14 CO 0.00 0.71 -0.68 0.00 -0.87 0.00 0.00 176.83 175.99 1gmb n GLN 15 N -3.27 0.00 -3.95 4.77 6.02 -1.26 -5.09 117.38 114.61 1gmb n GLN 15 Ca 0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.72 1gmb n GLN 15 Cb 0.83 -0.71 -0.04 0.00 1.02 0.00 0.00 30.24 31.34 1gmb n GLN 15 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1gmb s LYS 16 N -1.77 3.40 -0.10 -1.09 1.02 -1.26 -5.10 119.74 114.84 1gmb s LYS 16 Ca 0.00 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.45 1gmb s LYS 16 Cb 0.00 -2.97 0.01 0.00 -0.52 0.00 0.00 37.83 34.35 1gmb s LYS 16 CO 0.00 0.55 -0.18 0.99 -0.92 0.00 0.00 175.35 175.79 1gmb s THR 17 N -1.66 1.68 -0.09 2.17 2.01 -1.26 -0.45 115.64 118.04 1gmb s THR 17 Ca 0.34 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.58 1gmb s THR 17 Cb -0.12 -1.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 1gmb s THR 17 CO 0.28 0.48 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.87 1gmb s VAL 18 N 0.73 3.17 -0.08 3.82 1.01 -0.55 -4.94 120.40 123.56 1gmb s VAL 18 Ca -0.11 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 60.98 1gmb s VAL 18 Cb -0.16 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1gmb s VAL 18 CO 0.02 0.56 0.69 -0.04 0.00 0.00 0.00 175.10 176.33 1gmb s MET 19 N -0.25 4.42 -0.23 2.72 -1.94 -1.26 -0.41 119.30 122.35 1gmb s MET 19 Ca 0.02 0.85 -0.08 0.00 -1.71 0.00 0.00 55.69 54.77 1gmb s MET 19 Cb -0.13 -3.46 -0.03 0.00 2.01 0.00 0.00 34.83 33.22 1gmb s MET 19 CO 0.03 0.04 0.07 0.12 -0.01 0.00 0.00 175.02 175.27 1gmb s PHE 20 N 0.90 3.13 -0.28 -0.03 5.36 0.14 -4.87 117.98 122.32 1gmb s PHE 20 Ca 0.37 -0.25 -0.11 0.00 -0.96 0.00 0.00 56.93 55.98 1gmb s PHE 20 Cb -0.17 -2.20 -0.05 0.00 -0.34 0.00 0.00 43.02 40.26 1gmb s PHE 20 CO 0.17 -0.21 0.18 -1.25 -1.46 0.00 0.00 175.22 172.66 1gmb s PRO 21 N 1.28 3.88 0.14 10.12 0.04 -1.26 -0.96 135.00 148.24 1gmb s PRO 21 Ca 0.05 -0.36 -0.07 0.00 0.04 0.00 0.00 61.00 60.65 1gmb s PRO 21 Cb -0.15 -3.64 -0.03 0.00 0.04 0.00 0.00 34.50 30.72 1gmb s PRO 21 CO 0.04 -0.21 1.39 0.45 0.04 0.00 0.00 177.00 178.71 1gmb h HIS 22 N 8.37 0.85 -0.69 0.56 3.86 -1.86 -3.37 115.15 122.87 1gmb h HIS 22 Ca -0.35 -0.35 0.13 0.00 -1.16 0.00 0.00 60.37 58.64 1gmb h HIS 22 Cb 1.19 -0.14 -0.13 0.00 1.06 0.00 0.00 27.41 29.39 1gmb h HIS 22 CO 0.74 1.15 -0.24 0.00 0.86 0.00 0.00 177.93 180.44 1gmb h ALA 23 N 0.76 0.29 0.00 2.45 0.00 -1.95 0.21 119.26 121.02 1gmb h ALA 23 Ca -0.03 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1gmb h ALA 23 Cb 1.29 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1gmb h ALA 23 CO 0.14 -0.51 0.00 -0.35 0.00 0.00 0.00 179.25 178.53 1gmb n PRO 24 N -5.47 0.01 -0.54 0.00 -0.04 -1.26 -1.71 135.00 126.00 1gmb n PRO 24 Ca 0.08 0.36 0.08 0.00 -0.04 0.00 0.00 63.50 63.98 1gmb n PRO 24 Cb 0.37 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.62 1gmb n PRO 24 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1gmb n HIS 25 N -1.48 1.21 0.25 0.54 8.25 0.72 -4.65 115.22 120.06 1gmb n HIS 25 Ca 0.02 -0.80 0.16 0.00 -0.26 0.00 0.00 57.72 56.85 1gmb n HIS 25 Cb 0.08 -0.33 0.88 0.00 1.12 0.00 0.00 29.99 31.74 1gmb n HIS 25 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1gmb h GLU 26 N 2.49 0.00 -0.00 -0.41 4.11 -1.15 -0.04 114.58 119.57 1gmb h GLU 26 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1gmb h GLU 26 Cb 1.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1gmb h GLU 26 CO 0.27 0.00 -0.44 1.63 0.07 0.00 0.00 179.01 180.54 1gmb n LYS 27 N -3.79 0.18 -3.13 1.06 4.76 -1.26 -4.84 118.16 111.13 1gmb n LYS 27 Ca -0.01 -0.10 -0.39 0.00 -2.87 0.00 0.00 58.31 54.94 1gmb n LYS 27 Cb 0.21 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.85 1gmb n LYS 27 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1gmb s VAL 28 N -2.89 4.83 0.33 -0.18 1.01 -0.03 -5.03 120.40 118.44 1gmb s VAL 28 Ca 0.14 1.38 -0.29 0.00 0.00 0.00 0.00 61.98 63.21 1gmb s VAL 28 Cb 0.18 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.46 1gmb s VAL 28 CO 0.66 0.41 1.42 -1.61 0.00 0.00 0.00 175.10 175.98 1gmb s GLU 29 N -0.20 4.22 0.25 2.72 2.02 -1.26 -4.90 118.70 121.55 1gmb s GLU 29 Ca 0.33 2.40 -0.03 0.00 0.02 0.00 0.00 54.97 57.70 1gmb s GLU 29 Cb -0.19 -3.03 0.50 0.00 0.10 0.00 0.00 34.13 31.51 1gmb s GLU 29 CO 0.19 -0.40 1.73 0.00 0.02 0.00 0.00 175.26 176.80 1gmb h VAL 31 N 0.44 0.00 -0.77 0.00 3.04 -1.91 0.22 116.25 117.27 1gmb h VAL 31 Ca 0.44 -0.09 0.01 0.00 -1.01 0.00 0.00 66.70 66.04 1gmb h VAL 31 Cb 0.69 1.08 -0.04 0.00 -2.01 0.00 0.00 31.29 31.01 1gmb h VAL 31 CO -0.42 0.00 0.51 0.74 -1.01 0.00 0.00 177.57 177.38 1gmb h THR 32 N 0.00 1.20 0.00 3.17 2.02 -1.44 -2.85 112.91 115.01 1gmb h THR 32 Ca 0.00 -0.37 -0.41 0.00 0.77 0.00 0.00 66.41 66.41 1gmb h THR 32 Cb 0.10 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 66.52 1gmb h THR 32 CO 0.00 0.19 -2.28 0.00 0.37 0.00 0.00 175.52 173.80 1gmb n HIS 34 N -4.29 3.08 -1.19 0.00 8.25 0.70 -4.97 115.22 116.81 1gmb n HIS 34 Ca -0.49 -2.87 -0.32 0.00 -0.26 0.00 0.00 57.72 53.78 1gmb n HIS 34 Cb 0.83 -2.17 0.11 0.00 1.12 0.00 0.00 29.99 29.88 1gmb n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1gmb s HIS 35 N 1.31 2.20 0.54 4.41 -3.43 -1.07 -4.09 115.29 115.16 1gmb s HIS 35 Ca 0.44 1.64 -0.20 0.00 -0.80 0.00 0.00 55.06 56.14 1gmb s HIS 35 Cb 0.12 -3.23 -0.05 0.00 -1.43 0.00 0.00 32.58 27.99 1gmb s HIS 35 CO -0.04 -2.23 1.17 -0.51 -2.00 0.00 0.00 174.74 171.14 1gmb s LEU 36 N -5.84 3.78 -0.08 5.38 1.43 -1.26 -4.49 118.68 117.59 1gmb s LEU 36 Ca 0.66 2.30 -0.00 0.00 -1.03 0.00 0.00 54.13 56.05 1gmb s LEU 36 Cb -0.21 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 41.52 1gmb s LEU 36 CO 0.53 -1.30 -0.04 -0.69 0.23 0.00 0.00 176.35 175.08 1gmb s VAL 37 N -1.65 0.64 -1.44 -1.59 1.01 -0.21 -4.75 120.40 112.40 1gmb s VAL 37 Ca 0.73 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.52 1gmb s VAL 37 Cb -0.28 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.43 1gmb s VAL 37 CO 0.31 0.29 1.03 0.47 0.00 0.00 0.00 175.10 177.20 1gmb n ASP 38 N 4.74 -5.77 0.00 3.32 10.43 -1.26 -0.93 116.55 127.08 1gmb n ASP 38 Ca -0.14 -0.58 0.00 0.00 2.57 0.00 0.00 54.79 56.64 1gmb n ASP 38 Cb 0.50 -4.58 0.00 0.00 1.84 0.00 0.00 41.12 38.89 1gmb n ASP 38 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1gmb n GLY 39 N -1.82 0.23 3.54 0.44 0.00 -1.26 -4.98 105.19 101.33 1gmb n GLY 39 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1gmb n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gmb s LYS 40 N -1.11 1.96 0.40 1.61 1.02 -0.11 -5.06 119.74 118.45 1gmb s LYS 40 Ca 0.00 -1.27 -0.24 0.00 0.02 0.00 0.00 55.97 54.48 1gmb s LYS 40 Cb 0.00 -2.13 -0.09 0.00 -0.52 0.00 0.00 37.83 35.10 1gmb s LYS 40 CO 0.00 0.44 1.07 -1.21 -0.92 0.00 0.00 175.35 174.74 1gmb s GLU 41 N -2.65 4.14 -0.24 1.68 2.02 -1.26 -1.05 118.70 121.34 1gmb s GLU 41 Ca 0.23 1.58 -0.17 0.00 0.02 0.00 0.00 54.97 56.63 1gmb s GLU 41 Cb -0.09 -2.57 0.07 0.00 0.10 0.00 0.00 34.13 31.63 1gmb s GLU 41 CO 0.14 -0.18 0.61 0.45 0.02 0.00 0.00 175.26 176.29 1gmb s SER 42 N -1.47 -0.74 -0.13 -0.19 0.15 -1.26 -4.89 113.70 105.17 1gmb s SER 42 Ca 0.58 1.29 0.18 0.00 0.70 0.00 0.00 55.95 58.69 1gmb s SER 42 Cb -0.24 1.22 0.31 0.00 -1.71 0.00 0.00 66.02 65.60 1gmb s SER 42 CO 0.30 -0.22 1.17 -1.22 1.20 0.00 0.00 173.24 174.47 1gmb n TYR 43 N 3.62 0.09 -1.17 3.44 4.02 -1.26 -4.60 117.16 121.30 1gmb n TYR 43 Ca -0.18 -0.98 -0.31 0.00 -0.01 0.00 0.00 57.90 56.42 1gmb n TYR 43 Cb 0.57 -0.16 0.11 0.00 -0.02 0.00 0.00 39.34 39.83 1gmb n TYR 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1gmb s ALA 44 N -2.83 2.07 0.33 -0.72 0.00 -1.26 -4.93 121.76 114.42 1gmb s ALA 44 Ca 0.32 0.41 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 1gmb s ALA 44 Cb 0.28 -3.34 -0.12 0.00 0.00 0.00 0.00 23.12 19.95 1gmb s ALA 44 CO 0.04 -1.98 1.50 1.63 0.00 0.00 0.00 175.76 176.94 1gmb n LYS 45 N -3.55 2.58 -0.27 0.00 5.02 -1.26 -4.89 118.16 115.79 1gmb n LYS 45 Ca 0.10 0.91 0.05 0.00 -2.02 0.00 0.00 58.31 57.36 1gmb n LYS 45 Cb 0.52 -2.64 0.20 0.00 -0.02 0.00 0.00 35.03 33.09 1gmb n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gmb n GLY 47 N -1.32 2.00 3.72 0.00 0.00 -1.26 -1.51 105.19 106.83 1gmb n GLY 47 Ca 0.15 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1gmb n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gmb s SER 48 N -0.07 4.17 0.10 1.61 0.01 -0.44 -4.27 113.70 114.81 1gmb s SER 48 Ca 0.13 2.31 -0.31 0.00 1.31 0.00 0.00 55.95 59.40 1gmb s SER 48 Cb 0.10 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.66 1gmb s SER 48 CO 0.04 -2.28 1.74 -0.44 0.41 0.00 0.00 173.24 172.71 1gmb s SER 49 N -2.13 6.51 0.00 2.44 0.01 -1.26 -0.56 113.70 118.71 1gmb s SER 49 Ca 0.73 2.64 0.00 0.00 1.31 0.00 0.00 55.95 60.63 1gmb s SER 49 Cb -0.28 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.38 1gmb s SER 49 CO 0.46 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.77 1gmb n GLY 50 N 4.11 0.60 0.00 3.44 0.00 -1.26 -4.98 105.19 107.09 1gmb n GLY 50 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1gmb n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gmb n HIS 52 N 0.00 2.65 1.42 0.00 8.25 -0.57 -4.67 115.22 122.31 1gmb n HIS 52 Ca 0.00 -2.67 0.06 0.00 -0.26 0.00 0.00 57.72 54.85 1gmb n HIS 52 Cb 0.00 -1.50 0.24 0.00 1.12 0.00 0.00 29.99 29.85 1gmb n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1gmb n ASP 53 N 1.09 1.06 -4.35 0.41 5.75 -1.13 -4.02 116.55 115.36 1gmb n ASP 53 Ca 0.49 -1.83 -0.45 0.00 -0.01 0.00 0.00 54.79 52.99 1gmb n ASP 53 Cb 0.27 -0.11 -0.06 0.00 -1.03 0.00 0.00 41.12 40.20 1gmb n ASP 53 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1gmb s ASP 54 N -1.24 6.18 0.00 -1.12 -1.08 0.41 -4.91 116.67 114.91 1gmb s ASP 54 Ca 0.21 -1.56 0.17 0.00 -0.52 0.00 0.00 52.55 50.85 1gmb s ASP 54 Cb 0.11 -2.22 0.50 0.00 -1.46 0.00 0.00 42.92 39.85 1gmb s ASP 54 CO 0.16 -0.82 1.40 0.18 0.52 0.00 0.00 175.17 176.61 1gmb n LEU 55 N 5.40 2.37 0.00 -1.34 4.77 -1.26 -2.05 117.00 124.89 1gmb n LEU 55 Ca -0.13 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 1gmb n LEU 55 Cb 0.42 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1gmb n LEU 55 CO 0.52 0.56 -0.49 0.35 -1.33 0.00 0.00 177.39 177.00 1gmb n THR 56 N 0.79 0.00 -2.19 -5.08 -2.24 -1.26 -3.42 114.28 100.88 1gmb n THR 56 Ca 0.16 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.59 1gmb n THR 56 Cb 0.40 -0.84 0.01 0.00 -2.10 0.00 0.00 70.33 67.80 1gmb n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gmb s ALA 57 N -1.98 2.66 -0.44 6.98 0.00 -1.26 -4.96 121.76 122.76 1gmb s ALA 57 Ca 0.00 0.79 0.23 0.00 0.00 0.00 0.00 51.96 52.98 1gmb s ALA 57 Cb 0.00 -3.35 0.10 0.00 0.00 0.00 0.00 23.12 19.86 1gmb s ALA 57 CO 0.00 -0.84 1.09 1.63 0.00 0.00 0.00 175.76 177.64 1gmb n LYS 58 N -1.46 0.43 -4.18 0.00 4.01 -1.26 -4.51 118.16 111.19 1gmb n LYS 58 Ca 0.11 0.06 -0.12 0.00 -0.51 0.00 0.00 58.31 57.86 1gmb n LYS 58 Cb 0.51 -1.71 -0.10 0.00 -0.51 0.00 0.00 35.03 33.22 1gmb n LYS 58 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1gmb s LYS 59 N -3.27 1.18 0.00 1.97 -2.85 -1.26 -3.99 119.74 111.52 1gmb s LYS 59 Ca 0.02 -1.58 0.00 0.00 -1.00 0.00 0.00 55.97 53.41 1gmb s LYS 59 Cb 0.12 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 1gmb s LYS 59 CO 0.78 -0.39 0.00 0.41 0.10 0.00 0.00 175.35 176.25 1gmb n GLY 60 N -0.25 2.66 0.30 0.59 0.00 -1.26 -4.43 105.19 102.80 1gmb n GLY 60 Ca 0.01 -1.72 0.17 0.00 0.00 0.00 0.00 46.02 44.48 1gmb n GLY 60 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gmb h GLU 61 N 0.00 0.00 -0.00 1.61 5.08 -2.00 -1.42 114.58 117.85 1gmb h GLU 61 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1gmb h GLU 61 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1gmb h GLU 61 CO 0.00 0.02 -0.10 1.63 -1.00 0.00 0.00 179.01 179.56 1gmb n LYS 62 N -3.60 0.15 -2.57 2.33 5.02 -1.26 -4.72 118.16 113.51 1gmb n LYS 62 Ca -0.03 -0.03 -0.43 0.00 -2.02 0.00 0.00 58.31 55.81 1gmb n LYS 62 Cb 0.11 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.60 1gmb n LYS 62 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1gmb s SER 63 N -2.87 6.94 0.24 4.39 0.15 -0.54 -0.44 113.70 121.57 1gmb s SER 63 Ca 0.18 1.30 -0.02 0.00 0.70 0.00 0.00 55.95 58.11 1gmb s SER 63 Cb 0.19 -2.54 0.26 0.00 -1.71 0.00 0.00 66.02 62.22 1gmb s SER 63 CO 0.54 -0.83 1.65 0.25 1.20 0.00 0.00 173.24 176.06 1gmb h LEU 64 N 9.95 0.67 -0.49 3.45 5.85 -1.55 -1.90 115.31 131.30 1gmb h LEU 64 Ca -0.22 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1gmb h LEU 64 Cb 1.07 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1gmb h LEU 64 CO 1.00 0.90 0.32 0.22 -0.34 0.00 0.00 178.44 180.55 1gmb h TYR 65 N 0.57 0.61 -0.36 1.25 3.20 -1.79 -1.81 116.97 118.64 1gmb h TYR 65 Ca 0.08 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 1gmb h TYR 65 Cb 0.74 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1gmb h TYR 65 CO 0.03 0.39 0.06 -0.92 -1.64 0.00 0.00 178.16 176.09 1gmb h TYR 66 N 0.66 0.63 0.00 -3.82 3.20 -1.63 -0.15 116.97 115.86 1gmb h TYR 66 Ca 0.18 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1gmb h TYR 66 Cb -0.07 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.02 1gmb h TYR 66 CO -0.04 0.64 0.00 1.33 -1.64 0.00 0.00 178.16 178.45 1gmb n VAL 67 N -4.57 0.96 -0.13 1.81 0.24 -0.74 -1.79 118.33 114.11 1gmb n VAL 67 Ca -0.01 0.29 -0.27 0.00 -2.04 0.00 0.00 64.34 62.31 1gmb n VAL 67 Cb 0.22 -1.17 -0.11 0.00 -1.47 0.00 0.00 33.84 31.31 1gmb n VAL 67 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1gmb n VAL 68 N -1.97 1.53 0.93 3.34 0.31 -0.71 -4.14 118.33 117.62 1gmb n VAL 68 Ca 0.02 -0.39 0.11 0.00 -0.01 0.00 0.00 64.34 64.07 1gmb n VAL 68 Cb 0.18 -1.81 0.03 0.00 -0.91 0.00 0.00 33.84 31.33 1gmb n VAL 68 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1gmb n HIS 69 N -4.07 0.03 -1.94 3.52 8.25 -0.11 -2.18 115.22 118.72 1gmb n HIS 69 Ca -0.51 0.01 -0.41 0.00 -0.26 0.00 0.00 57.72 56.56 1gmb n HIS 69 Cb 0.89 -0.15 -0.01 0.00 1.12 0.00 0.00 29.99 31.85 1gmb n HIS 69 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1gmb s ALA 70 N -3.03 3.49 -1.17 -1.41 0.00 -0.74 -4.73 121.76 114.17 1gmb s ALA 70 Ca 0.08 1.43 0.11 0.00 0.00 0.00 0.00 51.96 53.58 1gmb s ALA 70 Cb 0.16 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.77 1gmb s ALA 70 CO 0.80 -0.90 0.75 0.54 0.00 0.00 0.00 175.76 176.95 1gmb n ARG 71 N 0.50 1.39 -0.28 0.00 1.74 -1.26 -3.50 116.66 115.24 1gmb n ARG 71 Ca 0.01 -0.87 -0.09 0.00 -0.77 0.00 0.00 57.85 56.13 1gmb n ARG 71 Cb 0.41 -1.15 0.08 0.00 -1.02 0.00 0.00 32.46 30.77 1gmb n ARG 71 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gmb n GLY 72 N 0.79 -2.72 3.61 -0.13 0.00 -1.26 -4.89 105.19 100.59 1gmb n GLY 72 Ca 0.05 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 1gmb n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gmb s GLU 73 N -3.74 3.76 0.30 1.61 8.01 -1.26 -5.00 118.70 122.39 1gmb s GLU 73 Ca 0.21 0.72 0.11 0.00 0.01 0.00 0.00 54.97 56.03 1gmb s GLU 73 Cb -0.02 -3.90 -0.05 0.00 -4.31 0.00 0.00 34.13 25.84 1gmb s GLU 73 CO 0.17 -1.33 -0.16 -0.51 0.01 0.00 0.00 175.26 173.43 1gmb s LEU 74 N 4.47 2.65 0.52 1.80 1.43 -1.26 -5.02 118.68 123.27 1gmb s LEU 74 Ca 0.50 -1.07 0.31 0.00 -1.03 0.00 0.00 54.13 52.83 1gmb s LEU 74 Cb -0.09 -1.09 1.11 0.00 0.03 0.00 0.00 46.19 46.16 1gmb s LEU 74 CO 0.29 -0.04 1.89 0.11 0.23 0.00 0.00 176.35 178.84 1gmb h LYS 75 N 2.18 0.00 -4.58 1.70 1.57 -2.04 -3.45 116.57 111.96 1gmb h LYS 75 Ca -0.41 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.14 1gmb h LYS 75 Cb 1.26 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.42 1gmb h LYS 75 CO 0.63 0.02 -0.62 -1.01 -0.57 0.00 0.00 179.45 177.90 1gmb s HIS 76 N -3.57 1.15 -0.09 -1.35 3.76 -1.26 -5.14 115.29 108.79 1gmb s HIS 76 Ca 0.02 -1.37 -0.24 0.00 -0.15 0.00 0.00 55.06 53.32 1gmb s HIS 76 Cb 0.08 -0.55 -0.03 0.00 1.11 0.00 0.00 32.58 33.19 1gmb s HIS 76 CO 0.58 -0.64 0.74 0.99 -0.85 0.00 0.00 174.74 175.55 1gmb s THR 77 N -4.16 5.00 0.50 1.30 2.01 -1.26 -5.06 115.64 113.97 1gmb s THR 77 Ca 0.39 1.50 0.00 0.00 0.31 0.00 0.00 61.69 63.88 1gmb s THR 77 Cb 0.07 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.52 1gmb s THR 77 CO 0.12 0.19 0.73 -0.94 -0.69 0.00 0.00 174.62 174.02 1gmb s SER 78 N 0.92 5.62 0.11 3.53 1.04 -1.26 -4.83 113.70 118.83 1gmb s SER 78 Ca 0.38 0.23 -0.22 0.00 0.48 0.00 0.00 55.95 56.81 1gmb s SER 78 Cb -0.18 -1.33 -0.10 0.00 0.10 0.00 0.00 66.02 64.51 1gmb s SER 78 CO 0.17 -0.88 1.72 0.00 0.98 0.00 0.00 173.24 175.23 1gmb h LEU 80 N -0.04 0.68 -0.31 0.00 -0.00 -1.67 -0.99 115.31 112.98 1gmb h LEU 80 Ca 0.04 -0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1gmb h LEU 80 Cb 0.10 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.56 1gmb h LEU 80 CO -0.08 0.86 0.21 0.00 -0.00 0.00 0.00 178.44 179.42 1gmb h ALA 81 N 1.20 0.40 -0.16 1.53 0.00 -1.55 -0.36 119.26 120.32 1gmb h ALA 81 Ca 0.10 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1gmb h ALA 81 Cb 0.63 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1gmb h ALA 81 CO 0.04 -0.14 -0.56 0.00 0.00 0.00 0.00 179.25 178.59 1gmb h HIS 83 N 0.34 0.40 -0.65 0.00 -0.00 -1.00 -1.49 115.15 112.75 1gmb h HIS 83 Ca -0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1gmb h HIS 83 Cb 1.19 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 28.43 1gmb h HIS 83 CO 0.10 0.26 0.40 0.77 -0.00 0.00 0.00 177.93 179.46 1gmb h SER 84 N 0.42 0.78 -0.53 2.45 0.02 -1.07 0.13 113.55 115.76 1gmb h SER 84 Ca 0.11 -0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 1gmb h SER 84 Cb -0.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1gmb h SER 84 CO -0.02 0.61 -0.14 0.11 -1.14 0.00 0.00 176.83 176.24 1gmb h LYS 85 N 0.88 1.03 -0.42 3.45 1.57 -1.36 0.24 116.57 121.97 1gmb h LYS 85 Ca 0.23 -0.40 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1gmb h LYS 85 Cb -0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1gmb h LYS 85 CO -0.04 1.09 0.09 0.28 -0.57 0.00 0.00 179.45 180.29 1gmb h VAL 86 N 0.90 1.23 -0.13 0.50 2.07 -0.99 -2.79 116.25 117.06 1gmb h VAL 86 Ca 0.13 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1gmb h VAL 86 Cb 0.72 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1gmb h VAL 86 CO 0.05 0.29 -0.19 0.58 0.02 0.00 0.00 177.57 178.32 1gmb h VAL 87 N 0.54 1.20 -0.66 2.57 2.07 -0.48 0.13 116.25 121.62 1gmb h VAL 87 Ca 0.13 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1gmb h VAL 87 Cb 0.33 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1gmb h VAL 87 CO 0.00 0.28 0.35 0.00 0.02 0.00 0.00 177.57 178.22 1gmb h ALA 88 N 1.62 1.37 0.00 1.67 0.00 -0.68 -1.31 119.26 121.93 1gmb h ALA 88 Ca 0.04 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1gmb h ALA 88 Cb 0.45 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1gmb h ALA 88 CO 0.03 0.51 -1.28 0.93 0.00 0.00 0.00 179.25 179.44 1gmb h GLU 89 N 0.92 0.00 -2.27 0.00 5.08 -1.26 -3.39 114.58 113.66 1gmb h GLU 89 Ca 0.23 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.01 1gmb h GLU 89 Cb 0.04 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.89 1gmb h GLU 89 CO -0.04 0.44 -0.84 1.63 -1.00 0.00 0.00 179.01 179.20 1gmb n LYS 90 N -3.02 1.39 0.20 2.33 5.02 0.41 -4.97 118.16 119.51 1gmb n LYS 90 Ca -0.08 -3.87 0.18 0.00 -2.02 0.00 0.00 58.31 52.52 1gmb n LYS 90 Cb 0.88 -1.78 0.81 0.00 -0.02 0.00 0.00 35.03 34.92 1gmb n LYS 90 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1gmb h PRO 91 N 4.51 0.00 0.00 1.97 0.13 -1.45 -0.72 132.00 136.43 1gmb h PRO 91 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1gmb h PRO 91 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1gmb h PRO 91 CO 0.61 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.53 1gmb n GLU 92 N -3.48 0.01 -0.30 0.86 0.00 -1.26 -2.02 120.64 114.45 1gmb n GLU 92 Ca 0.03 0.32 0.08 0.00 0.00 0.00 0.00 57.16 57.59 1gmb n GLU 92 Cb 0.44 -1.52 0.23 0.00 0.00 0.00 0.00 31.44 30.60 1gmb n GLU 92 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1gmb n LEU 93 N -1.53 3.49 0.01 -1.84 4.77 -0.28 -4.71 117.00 116.91 1gmb n LEU 93 Ca 0.03 -2.12 -0.10 0.00 -0.03 0.00 0.00 56.01 53.78 1gmb n LEU 93 Cb 0.13 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 1gmb n LEU 93 CO 0.10 0.81 0.67 0.50 -1.33 0.00 0.00 177.39 178.14 1gmb h LYS 94 N 2.89 -0.36 -0.25 3.23 3.64 -1.56 -0.67 116.57 123.48 1gmb h LYS 94 Ca 0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1gmb h LYS 94 Cb 0.93 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1gmb h LYS 94 CO 0.04 -0.24 0.09 -0.22 -2.27 0.00 0.00 179.45 176.85 1gmb h LYS 95 N -0.38 0.37 -0.43 1.90 1.63 -1.85 -0.84 116.57 116.98 1gmb h LYS 95 Ca 0.09 -0.07 0.03 0.00 -0.85 0.00 0.00 60.65 59.86 1gmb h LYS 95 Cb 0.52 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.05 1gmb h LYS 95 CO -0.32 0.42 0.22 -0.44 -3.45 0.00 0.00 179.45 175.88 1gmb h ASP 96 N 0.24 0.33 0.60 4.20 3.32 -1.77 -1.40 116.42 121.94 1gmb h ASP 96 Ca 0.08 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1gmb h ASP 96 Cb 0.19 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1gmb h ASP 96 CO -0.01 0.24 -1.42 0.18 -1.72 0.00 0.00 179.24 176.51 1gmb n LEU 97 N -4.90 0.54 0.00 1.55 4.77 -0.29 -0.66 117.00 118.01 1gmb n LEU 97 Ca 0.02 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1gmb n LEU 97 Cb 0.10 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1gmb n LEU 97 CO 0.30 -0.08 0.11 0.35 -1.33 0.00 0.00 177.39 176.75 1gmb n THR 98 N -2.55 0.00 -2.06 -5.08 -2.24 -0.32 -4.90 114.28 97.12 1gmb n THR 98 Ca -0.03 -0.35 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1gmb n THR 98 Cb 0.60 1.19 -0.02 0.00 -2.10 0.00 0.00 70.33 70.00 1gmb n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1gmb s GLY 99 N -0.25 2.95 0.36 3.38 0.00 -0.53 -4.92 107.32 108.32 1gmb s GLY 99 Ca 0.00 1.31 0.25 0.00 0.00 0.00 0.00 44.72 46.28 1gmb s GLY 99 CO 0.00 1.99 1.69 0.00 0.00 0.00 0.00 173.10 176.78 1gmb s ALA 101 N -3.20 -0.57 -1.79 0.00 0.00 -1.26 -4.81 121.76 110.13 1gmb s ALA 101 Ca 0.08 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1gmb s ALA 101 Cb 0.08 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1gmb s ALA 101 CO 0.63 -0.23 0.00 1.63 0.00 0.00 0.00 175.76 177.79 1gmb n LYS 102 N 1.43 -1.23 -2.47 0.00 4.01 0.91 -4.97 118.16 115.84 1gmb n LYS 102 Ca -0.22 1.07 -0.17 0.00 -0.51 0.00 0.00 58.31 58.48 1gmb n LYS 102 Cb 0.56 -5.34 0.07 0.00 -0.51 0.00 0.00 35.03 29.81 1gmb n LYS 102 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1gmb n SER 103 N -0.87 1.49 0.18 4.39 3.41 -0.41 -4.73 113.62 117.08 1gmb n SER 103 Ca -0.18 -2.14 0.06 0.00 -0.26 0.00 0.00 58.87 56.35 1gmb n SER 103 Cb 0.58 -0.43 0.28 0.00 -0.26 0.00 0.00 64.21 64.38 1gmb n SER 103 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1gmb h LYS 104 N 0.00 0.00 0.18 4.33 1.79 -1.10 -2.87 116.57 118.90 1gmb h LYS 104 Ca -0.25 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 57.92 1gmb h LYS 104 Cb 1.03 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.70 1gmb h LYS 104 CO 0.31 0.36 -1.46 0.00 -1.08 0.00 0.00 179.45 177.58 1gmb s HIS 106 N -2.53 2.90 -2.00 0.00 3.76 -1.23 -4.63 115.29 111.56 1gmb s HIS 106 Ca -0.15 -3.03 0.07 0.00 -0.15 0.00 0.00 55.06 51.80 1gmb s HIS 106 Cb 0.04 -2.33 0.40 0.00 1.11 0.00 0.00 32.58 31.81 1gmb s HIS 106 CO 0.85 -0.65 0.87 -2.30 -0.85 0.00 0.00 174.74 172.65