#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i77 s PRO 2 N 0.00 -0.93 0.36 0.00 0.04 -1.26 -4.99 135.00 128.22 1i77 s PRO 2 Ca 0.00 0.65 -0.19 0.00 0.04 0.00 0.00 61.00 61.50 1i77 s PRO 2 Cb 0.00 -1.57 -0.10 0.00 0.04 0.00 0.00 34.50 32.87 1i77 s PRO 2 CO 0.00 -3.68 0.84 0.00 0.04 0.00 0.00 177.00 174.20 1i77 s ALA 3 N -2.57 3.20 0.07 8.56 0.00 -1.26 -5.02 121.76 124.74 1i77 s ALA 3 Ca 0.68 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 1i77 s ALA 3 Cb -0.22 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 1i77 s ALA 3 CO 0.63 0.24 1.15 0.00 0.00 0.00 0.00 175.76 177.77 1i77 s ALA 4 N -1.99 3.35 0.28 0.00 0.00 -1.26 -4.96 121.76 117.17 1i77 s ALA 4 Ca 0.56 0.79 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 1i77 s ALA 4 Cb -0.11 -3.41 -0.14 0.00 0.00 0.00 0.00 23.12 19.46 1i77 s ALA 4 CO 0.16 -0.37 1.08 -2.30 0.00 0.00 0.00 175.76 174.33 1i77 n PRO 5 N 3.72 1.44 -0.01 0.00 -0.02 -1.26 -4.94 135.00 133.92 1i77 n PRO 5 Ca 0.08 0.50 -0.12 0.00 -2.02 0.00 0.00 63.50 61.94 1i77 n PRO 5 Cb 0.47 -1.93 -0.10 0.00 -0.02 0.00 0.00 33.50 31.93 1i77 n PRO 5 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1i77 h ASP 6 N 2.35 -0.06 -3.26 2.55 3.32 -2.01 -3.42 116.42 115.88 1i77 h ASP 6 Ca -0.41 -0.59 -0.48 0.00 0.02 0.00 0.00 57.03 55.57 1i77 h ASP 6 Cb 1.33 0.02 0.03 0.00 0.22 0.00 0.00 39.33 40.93 1i77 h ASP 6 CO 0.63 0.63 0.01 -0.54 -1.72 0.00 0.00 179.24 178.25 1i77 s LYS 7 N -3.06 3.39 0.48 3.56 1.02 -1.26 -4.67 119.74 119.20 1i77 s LYS 7 Ca -0.15 -0.06 -0.24 0.00 0.02 0.00 0.00 55.97 55.54 1i77 s LYS 7 Cb -0.01 -2.46 -0.07 0.00 -0.52 0.00 0.00 37.83 34.77 1i77 s LYS 7 CO 0.56 -0.18 1.39 -2.14 -0.92 0.00 0.00 175.35 174.06 1i77 s PRO 8 N -4.63 3.54 0.28 -1.68 0.02 -1.26 -4.73 135.00 126.53 1i77 s PRO 8 Ca 0.46 2.31 0.11 0.00 0.02 0.00 0.00 61.00 63.90 1i77 s PRO 8 Cb -0.10 -2.53 -0.05 0.00 0.02 0.00 0.00 34.50 31.84 1i77 s PRO 8 CO 0.42 -0.90 -0.17 -0.48 -0.33 0.00 0.00 177.00 175.54 1i77 s LEU 9 N -2.96 2.60 -0.30 -5.54 0.05 -0.53 -4.87 118.68 107.13 1i77 s LEU 9 Ca 0.64 -1.06 -0.28 0.00 0.05 0.00 0.00 54.13 53.48 1i77 s LEU 9 Cb -0.42 -0.99 0.01 0.00 -2.05 0.00 0.00 46.19 42.75 1i77 s LEU 9 CO 0.52 -0.05 1.03 -1.61 -0.55 0.00 0.00 176.35 175.69 1i77 s GLU 10 N -3.56 4.10 -0.39 1.48 2.02 -1.26 -0.49 118.70 120.60 1i77 s GLU 10 Ca 0.29 1.07 -0.06 0.00 0.02 0.00 0.00 54.97 56.29 1i77 s GLU 10 Cb -0.03 -3.71 0.08 0.00 0.10 0.00 0.00 34.13 30.57 1i77 s GLU 10 CO 0.14 -0.81 0.19 0.12 0.02 0.00 0.00 175.26 174.92 1i77 s PHE 11 N 3.46 3.38 0.05 1.61 5.36 -0.19 -4.95 117.98 126.70 1i77 s PHE 11 Ca 0.43 -1.79 0.02 0.00 -0.96 0.00 0.00 56.93 54.63 1i77 s PHE 11 Cb -0.13 -2.82 -0.04 0.00 -0.34 0.00 0.00 43.02 39.69 1i77 s PHE 11 CO 0.13 -0.86 0.09 0.15 -1.46 0.00 0.00 175.22 173.27 1i77 s LYS 12 N 1.33 2.99 0.00 10.12 1.02 -1.26 -1.18 119.74 132.75 1i77 s LYS 12 Ca 0.03 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1i77 s LYS 12 Cb -0.22 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1i77 s LYS 12 CO 0.00 0.60 0.00 0.41 -0.92 0.00 0.00 175.35 175.44 1i77 n GLY 13 N 0.67 4.35 0.08 -3.33 0.00 -0.07 -5.00 105.19 101.88 1i77 n GLY 13 Ca -0.10 -1.97 0.12 0.00 0.00 0.00 0.00 46.02 44.08 1i77 n GLY 13 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i77 h SER 14 N 0.00 0.00 0.00 1.61 4.64 -1.94 -3.41 113.55 114.45 1i77 h SER 14 Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1i77 h SER 14 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1i77 h SER 14 CO 0.00 0.08 -0.60 0.00 -0.87 0.00 0.00 176.83 175.44 1i77 n GLN 15 N -2.20 1.42 -4.34 4.77 6.02 -1.26 -5.10 117.38 116.68 1i77 n GLN 15 Ca 0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.77 1i77 n GLN 15 Cb 0.45 -0.80 -0.09 0.00 1.02 0.00 0.00 30.24 30.82 1i77 n GLN 15 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1i77 s LYS 16 N -1.60 2.00 -0.09 -1.09 1.02 -1.26 -5.12 119.74 113.59 1i77 s LYS 16 Ca 0.00 -1.43 0.04 0.00 0.02 0.00 0.00 55.97 54.60 1i77 s LYS 16 Cb 0.00 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 1i77 s LYS 16 CO 0.00 0.39 -0.22 0.99 -0.92 0.00 0.00 175.35 175.59 1i77 s THR 17 N -2.03 1.88 -0.11 2.17 2.01 -1.26 -0.90 115.64 117.40 1i77 s THR 17 Ca 0.27 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.38 1i77 s THR 17 Cb -0.07 -1.63 -0.00 0.00 0.01 0.00 0.00 72.50 70.81 1i77 s THR 17 CO 0.16 0.52 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.71 1i77 s VAL 18 N 0.31 2.33 -0.28 3.82 1.01 -0.33 -4.95 120.40 122.32 1i77 s VAL 18 Ca -0.15 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 1i77 s VAL 18 Cb -0.17 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.30 1i77 s VAL 18 CO 0.07 0.55 1.09 -0.04 0.00 0.00 0.00 175.10 176.77 1i77 s MET 19 N 0.37 4.13 -0.28 2.72 -1.94 -1.26 -1.02 119.30 122.02 1i77 s MET 19 Ca -0.16 1.21 -0.09 0.00 -1.71 0.00 0.00 55.69 54.94 1i77 s MET 19 Cb -0.17 -3.72 -0.03 0.00 2.01 0.00 0.00 34.83 32.92 1i77 s MET 19 CO 0.07 -0.82 0.14 0.12 -0.01 0.00 0.00 175.02 174.52 1i77 s PHE 20 N 3.55 3.16 -0.24 -0.03 5.36 0.36 -4.88 117.98 125.27 1i77 s PHE 20 Ca 0.46 -0.32 -0.10 0.00 -0.96 0.00 0.00 56.93 56.02 1i77 s PHE 20 Cb -0.14 -2.33 -0.05 0.00 -0.34 0.00 0.00 43.02 40.17 1i77 s PHE 20 CO 0.13 -0.34 0.14 -1.25 -1.46 0.00 0.00 175.22 172.44 1i77 s PRO 21 N 1.66 3.99 0.10 10.12 0.04 -1.26 -1.46 135.00 148.18 1i77 s PRO 21 Ca 0.06 -0.31 -0.08 0.00 0.04 0.00 0.00 61.00 60.70 1i77 s PRO 21 Cb -0.16 -3.48 -0.19 0.00 0.04 0.00 0.00 34.50 30.72 1i77 s PRO 21 CO 0.07 0.04 1.22 0.45 0.04 0.00 0.00 177.00 178.81 1i77 h HIS 22 N 7.58 0.75 -0.70 0.56 3.86 -1.85 -3.35 115.15 122.01 1i77 h HIS 22 Ca -0.37 -0.44 0.15 0.00 -1.16 0.00 0.00 60.37 58.54 1i77 h HIS 22 Cb 1.17 -0.07 -0.11 0.00 1.06 0.00 0.00 27.41 29.46 1i77 h HIS 22 CO 0.66 1.28 0.06 0.00 0.86 0.00 0.00 177.93 180.80 1i77 h ALA 23 N 0.56 0.77 0.00 2.45 0.00 -1.83 0.14 119.26 121.36 1i77 h ALA 23 Ca -0.12 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1i77 h ALA 23 Cb 1.73 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 1i77 h ALA 23 CO 0.19 -0.39 -0.01 -0.24 0.00 0.00 0.00 179.25 178.80 1i77 h VAL 24 N 0.16 0.05 -0.56 0.00 3.04 -1.99 -2.52 116.25 114.43 1i77 h VAL 24 Ca 0.38 -0.36 -0.14 0.00 -1.01 0.00 0.00 66.70 65.56 1i77 h VAL 24 Cb 0.65 1.34 -0.09 0.00 -2.01 0.00 0.00 31.29 31.18 1i77 h VAL 24 CO -0.56 0.01 0.14 1.41 -1.01 0.00 0.00 177.57 177.56 1i77 n HIS 25 N -3.13 1.90 0.29 3.17 8.25 0.47 -4.66 115.22 121.52 1i77 n HIS 25 Ca -0.01 -1.14 0.15 0.00 -0.26 0.00 0.00 57.72 56.46 1i77 n HIS 25 Cb 0.23 -0.56 0.89 0.00 1.12 0.00 0.00 29.99 31.67 1i77 n HIS 25 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i77 h ALA 26 N 2.37 1.42 -0.00 -1.41 0.00 -1.17 -1.57 119.26 118.89 1i77 h ALA 26 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1i77 h ALA 26 Cb 2.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1i77 h ALA 26 CO 0.55 0.04 -0.08 1.63 0.00 0.00 0.00 179.25 181.40 1i77 n LYS 27 N -3.73 0.80 -3.48 0.00 5.02 -1.26 -4.77 118.16 110.74 1i77 n LYS 27 Ca -0.03 -0.25 -0.38 0.00 -2.02 0.00 0.00 58.31 55.64 1i77 n LYS 27 Cb 0.12 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.56 1i77 n LYS 27 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i77 s VAL 28 N -2.37 5.25 0.40 -0.18 1.01 -0.59 -5.06 120.40 118.86 1i77 s VAL 28 Ca 0.32 0.52 -0.27 0.00 0.00 0.00 0.00 61.98 62.56 1i77 s VAL 28 Cb 0.20 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.83 1i77 s VAL 28 CO 0.45 0.28 1.48 -1.61 0.00 0.00 0.00 175.10 175.70 1i77 s GLU 29 N 1.23 3.97 0.21 2.72 2.02 -1.26 -4.89 118.70 122.69 1i77 s GLU 29 Ca 0.15 2.55 -0.12 0.00 0.02 0.00 0.00 54.97 57.57 1i77 s GLU 29 Cb -0.14 -2.87 0.27 0.00 0.10 0.00 0.00 34.13 31.48 1i77 s GLU 29 CO 0.07 -0.64 1.64 0.00 0.02 0.00 0.00 175.26 176.34 1i77 h VAL 31 N 0.04 0.10 -0.79 0.00 3.04 -1.91 -0.58 116.25 116.15 1i77 h VAL 31 Ca 0.32 0.00 0.10 0.00 -1.01 0.00 0.00 66.70 66.11 1i77 h VAL 31 Cb 0.50 0.91 -0.08 0.00 -2.01 0.00 0.00 31.29 30.62 1i77 h VAL 31 CO -0.61 0.00 0.42 0.74 -1.01 0.00 0.00 177.57 177.11 1i77 h THR 32 N 0.00 0.86 0.00 3.17 2.02 -1.57 -3.15 112.91 114.23 1i77 h THR 32 Ca 0.01 -0.24 -0.44 0.00 0.77 0.00 0.00 66.41 66.51 1i77 h THR 32 Cb 0.19 0.10 -0.07 0.00 -1.74 0.00 0.00 68.15 66.63 1i77 h THR 32 CO -0.00 0.13 -2.50 0.00 0.37 0.00 0.00 175.52 173.52 1i77 n HIS 34 N -4.05 3.83 -1.79 0.00 8.25 -0.28 -4.97 115.22 116.20 1i77 n HIS 34 Ca -0.52 -2.96 -0.35 0.00 -0.26 0.00 0.00 57.72 53.63 1i77 n HIS 34 Cb 0.89 -2.34 0.06 0.00 1.12 0.00 0.00 29.99 29.71 1i77 n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1i77 s HIS 35 N 2.36 2.29 0.64 4.41 -3.43 -1.19 -4.29 115.29 116.07 1i77 s HIS 35 Ca 0.46 1.54 -0.18 0.00 -0.80 0.00 0.00 55.06 56.08 1i77 s HIS 35 Cb 0.08 -3.46 -0.01 0.00 -1.43 0.00 0.00 32.58 27.76 1i77 s HIS 35 CO -0.01 -2.33 1.23 -0.65 -2.00 0.00 0.00 174.74 170.97 1i77 s GLN 36 N -3.59 2.69 -0.08 -0.38 -0.21 -1.26 -4.36 119.66 112.47 1i77 s GLN 36 Ca 0.76 1.86 -0.01 0.00 0.02 0.00 0.00 55.36 57.99 1i77 s GLN 36 Cb -0.29 -1.89 0.03 0.00 1.00 0.00 0.00 33.01 31.85 1i77 s GLN 36 CO 0.38 -1.44 -0.03 0.08 -2.12 0.00 0.00 175.29 172.16 1i77 s VAL 37 N -1.65 0.60 -1.41 1.09 1.01 0.51 -4.78 120.40 115.77 1i77 s VAL 37 Ca 0.78 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.64 1i77 s VAL 37 Cb -0.31 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.42 1i77 s VAL 37 CO 0.38 0.28 0.90 0.47 0.00 0.00 0.00 175.10 177.13 1i77 n ASP 38 N 4.83 -3.43 0.00 3.32 8.00 -1.26 -1.43 116.55 126.58 1i77 n ASP 38 Ca -0.12 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1i77 n ASP 38 Cb 0.50 -4.16 0.00 0.00 -0.02 0.00 0.00 41.12 37.44 1i77 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i77 n GLY 39 N -1.65 0.76 3.52 0.44 0.00 -1.26 -5.00 105.19 102.00 1i77 n GLY 39 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 1i77 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i77 s LYS 40 N -0.31 1.87 0.67 1.61 1.02 -0.52 -5.06 119.74 119.02 1i77 s LYS 40 Ca 0.00 -1.54 -0.15 0.00 0.02 0.00 0.00 55.97 54.30 1i77 s LYS 40 Cb 0.00 -1.95 0.01 0.00 -0.52 0.00 0.00 37.83 35.36 1i77 s LYS 40 CO 0.00 0.37 1.15 -1.83 -0.92 0.00 0.00 175.35 174.12 1i77 s GLU 41 N -3.24 2.61 -0.23 1.68 -1.05 -1.26 -0.36 118.70 116.85 1i77 s GLU 41 Ca 0.27 1.56 -0.13 0.00 -0.15 0.00 0.00 54.97 56.53 1i77 s GLU 41 Cb -0.07 -1.91 0.07 0.00 -0.44 0.00 0.00 34.13 31.78 1i77 s GLU 41 CO 0.15 -1.43 0.55 0.45 0.95 0.00 0.00 175.26 175.93 1i77 s SER 42 N -2.27 -0.73 -0.12 0.83 0.15 -1.26 -4.75 113.70 105.53 1i77 s SER 42 Ca 0.70 1.21 0.18 0.00 0.70 0.00 0.00 55.95 58.74 1i77 s SER 42 Cb -0.24 1.10 0.28 0.00 -1.71 0.00 0.00 66.02 65.45 1i77 s SER 42 CO 0.41 -0.22 1.14 0.49 1.20 0.00 0.00 173.24 176.27 1i77 n PHE 43 N 4.33 0.00 -1.39 3.44 3.01 -1.26 -4.59 117.46 120.99 1i77 n PHE 43 Ca -0.21 -0.95 -0.32 0.00 1.01 0.00 0.00 57.45 56.98 1i77 n PHE 43 Cb 0.57 -0.15 0.08 0.00 -0.01 0.00 0.00 39.48 39.97 1i77 n PHE 43 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1i77 s ALA 44 N -2.71 2.30 0.40 4.37 0.00 -1.26 -4.96 121.76 119.90 1i77 s ALA 44 Ca 0.30 0.36 -0.27 0.00 0.00 0.00 0.00 51.96 52.35 1i77 s ALA 44 Cb 0.27 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 20.00 1i77 s ALA 44 CO 0.02 -1.65 1.42 0.15 0.00 0.00 0.00 175.76 175.71 1i77 s LYS 45 N -4.67 4.00 0.24 0.00 1.02 -1.26 -4.90 119.74 114.17 1i77 s LYS 45 Ca 0.63 2.42 -0.05 0.00 0.02 0.00 0.00 55.97 59.00 1i77 s LYS 45 Cb -0.18 -2.86 0.41 0.00 -0.52 0.00 0.00 37.83 34.67 1i77 s LYS 45 CO 0.52 -0.56 1.78 0.00 -0.92 0.00 0.00 175.35 176.17 1i77 n GLY 47 N -1.31 2.68 3.77 0.00 0.00 -1.26 -1.23 105.19 107.84 1i77 n GLY 47 Ca 0.13 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 1i77 n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i77 s SER 48 N -0.62 4.42 -0.06 1.61 1.04 -0.98 -4.12 113.70 114.99 1i77 s SER 48 Ca 0.43 1.68 -0.37 0.00 0.48 0.00 0.00 55.95 58.17 1i77 s SER 48 Cb 0.33 -2.41 -0.15 0.00 0.10 0.00 0.00 66.02 63.89 1i77 s SER 48 CO 0.13 -2.06 1.59 -1.20 0.98 0.00 0.00 173.24 172.67 1i77 n SER 49 N -3.53 2.31 0.00 7.02 7.64 -1.26 -1.02 113.62 124.79 1i77 n SER 49 Ca 0.08 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1i77 n SER 49 Cb 0.54 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1i77 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i77 n GLY 50 N 3.48 2.04 0.00 0.23 0.00 -1.26 -5.00 105.19 104.68 1i77 n GLY 50 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1i77 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i77 n HIS 52 N 0.00 2.61 1.01 0.00 8.25 -0.36 -4.75 115.22 121.98 1i77 n HIS 52 Ca 0.00 -2.64 0.04 0.00 -0.26 0.00 0.00 57.72 54.85 1i77 n HIS 52 Cb 0.00 -1.44 0.12 0.00 1.12 0.00 0.00 29.99 29.79 1i77 n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1i77 n ASP 53 N 1.14 1.64 -4.37 0.41 5.68 -1.12 -3.91 116.55 116.02 1i77 n ASP 53 Ca 0.44 -2.07 -0.45 0.00 -0.50 0.00 0.00 54.79 52.22 1i77 n ASP 53 Cb 0.29 -0.25 -0.05 0.00 -1.14 0.00 0.00 41.12 39.96 1i77 n ASP 53 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1i77 s ASP 54 N -0.85 6.18 0.00 -1.12 -1.08 -0.77 -4.91 116.67 114.12 1i77 s ASP 54 Ca 0.18 -1.46 0.21 0.00 -0.52 0.00 0.00 52.55 50.96 1i77 s ASP 54 Cb 0.10 -2.25 0.57 0.00 -1.46 0.00 0.00 42.92 39.88 1i77 s ASP 54 CO 0.11 -0.92 1.46 0.18 0.52 0.00 0.00 175.17 176.51 1i77 n LEU 55 N 5.76 2.51 -0.02 -1.34 4.77 -1.26 -2.22 117.00 125.20 1i77 n LEU 55 Ca -0.11 -1.10 -0.03 0.00 -0.03 0.00 0.00 56.01 54.75 1i77 n LEU 55 Cb 0.42 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1i77 n LEU 55 CO 0.54 0.55 -0.63 0.00 -1.33 0.00 0.00 177.39 176.52 1i77 n ALA 56 N 0.88 1.91 -1.51 -1.18 0.00 -1.26 -2.84 120.51 116.51 1i77 n ALA 56 Ca 0.17 -0.19 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 1i77 n ALA 56 Cb 0.45 0.35 0.05 0.00 0.00 0.00 0.00 19.45 20.30 1i77 n ALA 56 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1i77 s GLY 57 N -4.17 2.16 0.00 0.00 0.00 -1.26 -4.99 107.32 99.06 1i77 s GLY 57 Ca -0.05 0.56 0.10 0.00 0.00 0.00 0.00 44.72 45.33 1i77 s GLY 57 CO 0.10 0.91 0.98 0.28 0.00 0.00 0.00 173.10 175.37 1i77 n LYS 58 N -2.41 1.34 -4.10 2.90 5.02 -1.26 -4.41 118.16 115.24 1i77 n LYS 58 Ca 0.10 -1.45 -0.11 0.00 -2.02 0.00 0.00 58.31 54.83 1i77 n LYS 58 Cb 0.52 -1.22 -0.11 0.00 -0.02 0.00 0.00 35.03 34.20 1i77 n LYS 58 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1i77 s GLN 59 N -0.92 0.65 0.00 1.97 -0.21 -1.26 -3.99 119.66 115.90 1i77 s GLN 59 Ca 0.16 -1.02 0.00 0.00 0.02 0.00 0.00 55.36 54.51 1i77 s GLN 59 Cb 0.10 -0.19 0.00 0.00 1.00 0.00 0.00 33.01 33.92 1i77 s GLN 59 CO 0.14 0.00 0.00 0.41 -2.12 0.00 0.00 175.29 173.72 1i77 n GLY 60 N 0.74 2.27 0.27 3.09 0.00 -1.26 -4.39 105.19 105.90 1i77 n GLY 60 Ca -0.18 -1.86 0.07 0.00 0.00 0.00 0.00 46.02 44.05 1i77 n GLY 60 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1i77 h GLU 61 N 0.00 0.11 0.00 1.61 4.22 -2.00 -2.16 114.58 116.36 1i77 h GLU 61 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1i77 h GLU 61 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1i77 h GLU 61 CO 0.00 0.10 0.00 0.87 -2.18 0.00 0.00 179.01 177.80 1i77 h LYS 62 N 0.12 0.00 -6.16 1.92 1.79 -1.85 -3.45 116.57 108.94 1i77 h LYS 62 Ca 0.03 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.93 1i77 h LYS 62 Cb 0.03 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.64 1i77 h LYS 62 CO -0.00 0.00 0.90 0.45 -1.08 0.00 0.00 179.45 179.72 1i77 s SER 63 N -4.58 6.94 0.16 0.86 0.15 -0.81 -1.85 113.70 114.57 1i77 s SER 63 Ca 0.09 1.71 -0.11 0.00 0.70 0.00 0.00 55.95 58.35 1i77 s SER 63 Cb 0.11 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.93 1i77 s SER 63 CO 0.56 -0.76 1.62 0.25 1.20 0.00 0.00 173.24 176.11 1i77 h LEU 64 N 9.67 0.95 -0.17 3.45 5.85 -1.56 -2.66 115.31 130.83 1i77 h LEU 64 Ca -0.27 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.19 1i77 h LEU 64 Cb 1.11 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 1i77 h LEU 64 CO 0.97 1.02 -0.10 0.22 -0.34 0.00 0.00 178.44 180.21 1i77 h TYR 65 N 0.85 -0.23 -0.01 1.25 3.20 -1.80 -2.26 116.97 117.98 1i77 h TYR 65 Ca 0.16 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.07 1i77 h TYR 65 Cb 0.53 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 1i77 h TYR 65 CO 0.04 -0.15 -0.09 -0.92 -1.64 0.00 0.00 178.16 175.40 1i77 h TYR 66 N -0.08 -0.23 0.00 -3.82 3.20 -1.66 -0.00 116.97 114.37 1i77 h TYR 66 Ca 0.10 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1i77 h TYR 66 Cb 0.23 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1i77 h TYR 66 CO -0.24 -0.14 -0.03 -0.39 -1.64 0.00 0.00 178.16 175.72 1i77 h VAL 67 N -0.16 0.09 0.19 1.81 -1.51 -1.35 -1.47 116.25 113.85 1i77 h VAL 67 Ca 0.04 -0.44 -0.35 0.00 -1.23 0.00 0.00 66.70 64.72 1i77 h VAL 67 Cb 0.20 1.40 0.01 0.00 -2.13 0.00 0.00 31.29 30.78 1i77 h VAL 67 CO -0.10 0.02 -1.75 0.58 -1.23 0.00 0.00 177.57 175.10 1i77 h VAL 68 N 0.00 0.94 0.00 7.19 2.07 -1.04 -3.41 116.25 122.01 1i77 h VAL 68 Ca -0.00 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.01 1i77 h VAL 68 Cb 0.40 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1i77 h VAL 68 CO 0.00 0.86 -1.74 1.41 0.02 0.00 0.00 177.57 178.13 1i77 n HIS 69 N -3.60 0.00 -2.14 1.57 8.25 -0.05 -2.81 115.22 116.44 1i77 n HIS 69 Ca -0.25 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.84 1i77 n HIS 69 Cb 1.07 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.81 1i77 n HIS 69 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1i77 s THR 70 N -3.28 2.83 -2.68 1.59 -1.32 -0.57 -4.79 115.64 107.43 1i77 s THR 70 Ca -0.05 0.65 0.24 0.00 -1.21 0.00 0.00 61.69 61.32 1i77 s THR 70 Cb 0.13 -3.34 0.17 0.00 -1.51 0.00 0.00 72.50 67.95 1i77 s THR 70 CO 0.81 0.01 1.26 0.29 -2.21 0.00 0.00 174.62 174.79 1i77 n LYS 71 N -0.48 1.95 -1.36 7.08 5.02 -1.26 -4.34 118.16 124.77 1i77 n LYS 71 Ca 0.07 -1.57 -0.33 0.00 -2.02 0.00 0.00 58.31 54.46 1i77 n LYS 71 Cb 0.47 -1.47 0.09 0.00 -0.02 0.00 0.00 35.03 34.10 1i77 n LYS 71 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1i77 s LYS 72 N -2.14 2.17 -0.19 1.97 1.02 -1.26 -4.94 119.74 116.37 1i77 s LYS 72 Ca 0.26 1.48 -0.29 0.00 0.02 0.00 0.00 55.97 57.44 1i77 s LYS 72 Cb 0.20 -1.86 -0.01 0.00 -0.52 0.00 0.00 37.83 35.63 1i77 s LYS 72 CO 0.38 -1.76 1.24 -2.00 -0.92 0.00 0.00 175.35 172.29 1i77 s GLU 73 N -4.32 4.19 0.46 1.68 2.12 -1.26 -5.01 118.70 116.56 1i77 s GLU 73 Ca 0.68 1.57 0.07 0.00 0.36 0.00 0.00 54.97 57.65 1i77 s GLU 73 Cb -0.23 -3.77 -0.01 0.00 0.26 0.00 0.00 34.13 30.39 1i77 s GLU 73 CO 0.49 -0.75 0.35 -0.51 -0.54 0.00 0.00 175.26 174.30 1i77 s LEU 74 N 3.58 3.12 0.32 2.70 1.02 -1.26 -5.02 118.68 123.14 1i77 s LEU 74 Ca 0.54 -0.97 0.10 0.00 0.02 0.00 0.00 54.13 53.81 1i77 s LEU 74 Cb -0.20 -1.65 0.55 0.00 0.02 0.00 0.00 46.19 44.91 1i77 s LEU 74 CO 0.15 -0.78 1.74 0.50 0.02 0.00 0.00 176.35 177.98 1i77 h LYS 75 N 1.01 0.10 -5.62 1.70 3.64 -2.04 -3.44 116.57 111.92 1i77 h LYS 75 Ca -0.40 -0.05 -0.46 0.00 -1.27 0.00 0.00 60.65 58.48 1i77 h LYS 75 Cb 1.27 -0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.93 1i77 h LYS 75 CO 0.60 0.51 -0.75 -1.01 -2.27 0.00 0.00 179.45 176.52 1i77 s HIS 76 N -4.08 1.64 0.29 1.91 3.76 -1.26 -5.13 115.29 112.42 1i77 s HIS 76 Ca -0.03 -0.55 -0.29 0.00 -0.15 0.00 0.00 55.06 54.04 1i77 s HIS 76 Cb 0.14 -0.81 -0.10 0.00 1.11 0.00 0.00 32.58 32.92 1i77 s HIS 76 CO 0.75 0.28 1.15 0.99 -0.85 0.00 0.00 174.74 177.06 1i77 s THR 77 N -2.48 3.30 0.42 1.30 2.01 -1.26 -5.05 115.64 113.88 1i77 s THR 77 Ca 0.16 1.30 0.01 0.00 0.31 0.00 0.00 61.69 63.47 1i77 s THR 77 Cb -0.03 -3.83 -0.00 0.00 0.01 0.00 0.00 72.50 68.65 1i77 s THR 77 CO 0.05 0.31 0.02 -0.46 -0.69 0.00 0.00 174.62 173.85 1i77 n ASN 78 N 1.16 2.85 0.39 3.53 6.94 -1.26 -4.72 115.26 124.14 1i77 n ASN 78 Ca -0.01 -2.87 -0.16 0.00 -0.02 0.00 0.00 54.58 51.52 1i77 n ASN 78 Cb 0.44 0.40 -0.08 0.00 -2.36 0.00 0.00 39.78 38.18 1i77 n ASN 78 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i77 h ILE 80 N -1.04 1.21 0.75 0.00 1.08 -1.81 -2.27 117.51 115.43 1i77 h ILE 80 Ca -0.10 -0.89 -0.03 0.00 -0.39 0.00 0.00 64.86 63.45 1i77 h ILE 80 Cb 0.82 1.01 0.00 0.00 -3.07 0.00 0.00 36.82 35.58 1i77 h ILE 80 CO 0.13 0.30 -0.40 1.23 -0.69 0.00 0.00 178.15 178.71 1i77 h GLY 81 N 0.88 -1.13 1.05 5.37 0.00 -1.74 -0.50 103.07 107.00 1i77 h GLY 81 Ca 0.10 0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.80 1i77 h GLY 81 CO 0.02 -0.41 0.09 0.00 0.00 0.00 0.00 176.54 176.24 1i77 h HIS 83 N 0.96 0.93 -0.44 0.00 -0.00 -1.35 -0.84 115.15 114.41 1i77 h HIS 83 Ca 0.19 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.52 1i77 h HIS 83 Cb 0.45 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 1i77 h HIS 83 CO 0.03 0.55 0.00 0.77 -0.00 0.00 0.00 177.93 179.28 1i77 h SER 84 N 0.97 0.68 -0.31 2.45 0.02 -0.84 -1.57 113.55 114.94 1i77 h SER 84 Ca 0.31 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1i77 h SER 84 Cb 0.03 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1i77 h SER 84 CO -0.09 0.74 -0.14 0.11 -1.14 0.00 0.00 176.83 176.32 1i77 h LYS 85 N 0.67 0.64 -0.43 3.45 1.57 -1.11 -2.96 116.57 118.39 1i77 h LYS 85 Ca 0.14 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1i77 h LYS 85 Cb 0.41 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1i77 h LYS 85 CO 0.02 0.86 0.23 0.28 -0.57 0.00 0.00 179.45 180.26 1i77 h VAL 86 N 0.40 1.00 0.00 0.50 2.07 -0.85 -2.32 116.25 117.05 1i77 h VAL 86 Ca 0.07 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1i77 h VAL 86 Cb 0.66 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1i77 h VAL 86 CO 0.04 0.08 0.00 1.33 0.02 0.00 0.00 177.57 179.05 1i77 n VAL 87 N -4.89 0.65 -0.02 2.57 0.24 -0.62 -1.97 118.33 114.29 1i77 n VAL 87 Ca 0.02 0.16 -0.06 0.00 -2.04 0.00 0.00 64.34 62.42 1i77 n VAL 87 Cb 0.09 -0.85 0.13 0.00 -1.47 0.00 0.00 33.84 31.74 1i77 n VAL 87 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1i77 h GLU 88 N 0.00 0.59 0.00 7.34 5.08 -1.24 -2.88 114.58 123.47 1i77 h GLU 88 Ca 0.00 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 1i77 h GLU 88 Cb 0.27 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1i77 h GLU 88 CO 0.00 0.84 -1.60 0.41 -1.00 0.00 0.00 179.01 177.65 1i77 n GLY 89 N -0.17 -1.19 2.51 -3.84 0.00 -1.01 -4.61 105.19 96.88 1i77 n GLY 89 Ca -0.01 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 1i77 n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i77 n LYS 90 N -2.57 1.75 0.05 1.61 5.02 -0.83 -4.95 118.16 118.24 1i77 n LYS 90 Ca -0.07 -4.20 0.19 0.00 -2.02 0.00 0.00 58.31 52.21 1i77 n LYS 90 Cb 0.68 -2.01 0.70 0.00 -0.02 0.00 0.00 35.03 34.38 1i77 n LYS 90 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1i77 h PRO 91 N 4.64 0.00 0.00 1.97 0.11 -1.76 -0.85 132.00 136.11 1i77 h PRO 91 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1i77 h PRO 91 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1i77 h PRO 91 CO 0.69 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.63 1i77 n GLU 92 N -4.29 0.14 -0.18 1.05 0.00 -1.26 -1.74 120.64 114.36 1i77 n GLU 92 Ca 0.08 0.51 0.10 0.00 0.00 0.00 0.00 57.16 57.85 1i77 n GLU 92 Cb 0.53 -1.86 0.19 0.00 0.00 0.00 0.00 31.44 30.31 1i77 n GLU 92 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1i77 n LEU 93 N -2.15 3.23 -0.16 -1.84 4.77 -0.32 -4.63 117.00 115.90 1i77 n LEU 93 Ca 0.00 -1.59 -0.03 0.00 -0.03 0.00 0.00 56.01 54.36 1i77 n LEU 93 Cb 0.12 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1i77 n LEU 93 CO 0.13 0.72 0.96 0.50 -1.33 0.00 0.00 177.39 178.38 1i77 h LYS 94 N 3.69 0.35 0.07 3.23 3.64 -1.47 -1.22 116.57 124.86 1i77 h LYS 94 Ca 0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1i77 h LYS 94 Cb 0.87 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1i77 h LYS 94 CO 0.00 0.23 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.16 1i77 h LYS 95 N 0.36 -0.09 -0.84 1.90 3.64 -1.82 -1.69 116.57 118.03 1i77 h LYS 95 Ca 0.24 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.69 1i77 h LYS 95 Cb 0.25 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 1i77 h LYS 95 CO -0.24 0.29 0.55 -0.44 -2.27 0.00 0.00 179.45 177.34 1i77 h ASP 96 N -0.48 0.82 0.00 4.20 3.32 -1.80 -2.74 116.42 119.73 1i77 h ASP 96 Ca -0.01 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1i77 h ASP 96 Cb 0.42 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1i77 h ASP 96 CO 0.02 0.52 -1.97 0.18 -1.72 0.00 0.00 179.24 176.26 1i77 n LEU 97 N -4.49 0.00 0.00 1.55 4.77 -0.47 -0.83 117.00 117.53 1i77 n LEU 97 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1i77 n LEU 97 Cb 0.22 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1i77 n LEU 97 CO 0.33 0.01 -0.05 0.35 -1.33 0.00 0.00 177.39 176.70 1i77 n THR 98 N -2.24 0.00 -2.09 -5.08 -2.24 -0.64 -4.90 114.28 97.09 1i77 n THR 98 Ca -0.04 -0.29 -0.38 0.00 -2.27 0.00 0.00 64.05 61.06 1i77 n THR 98 Cb 0.56 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 1i77 n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i77 s ALA 99 N -0.79 3.01 -0.18 6.98 0.00 -1.03 -4.93 121.76 124.81 1i77 s ALA 99 Ca 0.00 1.11 0.23 0.00 0.00 0.00 0.00 51.96 53.29 1i77 s ALA 99 Cb 0.00 -3.45 0.53 0.00 0.00 0.00 0.00 23.12 20.20 1i77 s ALA 99 CO 0.00 -0.87 1.66 0.00 0.00 0.00 0.00 175.76 176.55 1i77 s ALA 101 N -3.30 0.21 -1.32 0.00 0.00 -1.26 -4.79 121.76 111.31 1i77 s ALA 101 Ca 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 1i77 s ALA 101 Cb 0.07 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1i77 s ALA 101 CO 0.66 -0.03 0.17 1.63 0.00 0.00 0.00 175.76 178.19 1i77 n LYS 102 N 2.32 -2.17 -3.35 0.00 4.76 0.84 -5.00 118.16 115.56 1i77 n LYS 102 Ca -0.18 0.76 -0.22 0.00 -2.87 0.00 0.00 58.31 55.80 1i77 n LYS 102 Cb 0.57 -5.16 0.02 0.00 -1.84 0.00 0.00 35.03 28.62 1i77 n LYS 102 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1i77 n SER 103 N -1.24 2.38 0.21 4.39 3.41 -0.56 -4.68 113.62 117.53 1i77 n SER 103 Ca -0.16 -2.60 0.14 0.00 -0.26 0.00 0.00 58.87 56.00 1i77 n SER 103 Cb 0.63 -0.13 0.46 0.00 -0.26 0.00 0.00 64.21 64.91 1i77 n SER 103 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1i77 h LYS 104 N 0.00 0.00 0.09 4.33 1.79 -1.21 -2.65 116.57 118.91 1i77 h LYS 104 Ca -0.29 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 57.98 1i77 h LYS 104 Cb 1.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1i77 h LYS 104 CO 0.45 0.00 -1.00 0.00 -1.08 0.00 0.00 179.45 177.82 1i77 s HIS 106 N -2.41 3.00 -2.00 0.00 3.76 -1.21 -4.64 115.29 111.79 1i77 s HIS 106 Ca -0.19 -3.07 0.00 0.00 -0.15 0.00 0.00 55.06 51.66 1i77 s HIS 106 Cb 0.02 -2.47 0.02 0.00 1.11 0.00 0.00 32.58 31.26 1i77 s HIS 106 CO 0.75 -0.67 0.52 -2.30 -0.85 0.00 0.00 174.74 172.19