#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqz h LEU 2 N 0.00 0.55 -0.87 1.04 6.46 -1.14 -0.54 115.31 120.81 1sqz h LEU 2 Ca 0.00 0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.79 1sqz h LEU 2 Cb 0.00 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 1sqz h LEU 2 CO 0.00 0.24 0.20 -0.07 -0.62 0.00 0.00 178.44 178.20 1sqz h LEU 3 N 0.65 0.97 -0.50 2.25 3.38 -1.95 -0.57 115.31 119.53 1sqz h LEU 3 Ca 0.46 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 58.11 1sqz h LEU 3 Cb 0.62 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1sqz h LEU 3 CO -0.35 0.91 -0.25 -0.33 0.09 0.00 0.00 178.44 178.52 1sqz h GLU 4 N 1.00 0.96 -0.69 1.13 5.08 -1.77 -1.29 114.58 118.99 1sqz h GLU 4 Ca 0.22 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1sqz h GLU 4 Cb 0.29 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1sqz h GLU 4 CO -0.01 1.09 0.38 0.35 -1.00 0.00 0.00 179.01 179.82 1sqz h PHE 5 N 0.82 0.95 -0.78 4.33 3.57 -0.84 -0.38 116.94 124.61 1sqz h PHE 5 Ca 0.10 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1sqz h PHE 5 Cb 0.82 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 1sqz h PHE 5 CO 0.05 0.68 0.46 0.78 -2.23 0.00 0.00 178.31 178.05 1sqz h GLY 6 N 0.95 1.15 1.08 2.40 0.00 -0.77 0.48 103.07 108.36 1sqz h GLY 6 Ca 0.24 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 1sqz h GLY 6 CO -0.04 0.48 -0.10 1.70 0.00 0.00 0.00 176.54 178.58 1sqz h LYS 7 N 1.08 1.02 -0.54 4.80 3.64 -0.78 -1.26 116.57 124.53 1sqz h LYS 7 Ca 0.28 -0.37 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1sqz h LYS 7 Cb -0.01 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1sqz h LYS 7 CO -0.05 1.06 0.30 1.98 -2.27 0.00 0.00 179.45 180.47 1sqz h MET 8 N 0.90 0.75 -0.28 1.90 4.05 -0.44 -0.24 114.93 121.56 1sqz h MET 8 Ca 0.14 -0.08 0.01 0.00 -0.28 0.00 0.00 59.70 59.49 1sqz h MET 8 Cb 0.66 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.30 1sqz h MET 8 CO 0.05 0.57 0.16 0.82 0.23 0.00 0.00 176.91 178.74 1sqz h ILE 9 N 0.72 1.03 -0.40 1.77 2.04 -0.74 -1.10 117.51 120.84 1sqz h ILE 9 Ca 0.19 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1sqz h ILE 9 Cb 0.03 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1sqz h ILE 9 CO -0.03 0.06 0.20 0.25 0.00 0.00 0.00 178.15 178.63 1sqz h LEU 10 N 0.33 0.51 -0.91 1.44 5.85 -0.91 0.20 115.31 121.82 1sqz h LEU 10 Ca 0.11 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1sqz h LEU 10 Cb -0.00 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 1sqz h LEU 10 CO -0.05 0.48 0.59 -0.33 -0.34 0.00 0.00 178.44 178.78 1sqz h GLU 11 N 0.51 1.08 0.00 1.25 5.08 -0.81 0.15 114.58 121.85 1sqz h GLU 11 Ca 0.14 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 1sqz h GLU 11 Cb 0.09 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.10 1sqz h GLU 11 CO -0.02 0.71 -0.41 0.93 -1.00 0.00 0.00 179.01 179.22 1sqz h GLU 12 N 1.11 0.28 0.00 2.33 4.39 -0.90 -3.40 114.58 118.39 1sqz h GLU 12 Ca 0.37 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1sqz h GLU 12 Cb 0.06 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1sqz h GLU 12 CO -0.14 1.01 -1.76 0.25 -1.16 0.00 0.00 179.01 177.21 1sqz n THR 13 N -4.37 0.02 -0.55 1.13 -2.24 0.03 -4.88 114.28 103.43 1sqz n THR 13 Ca -0.10 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1sqz n THR 13 Cb 0.58 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 1sqz n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sqz n GLY 14 N 1.57 1.53 3.88 3.38 0.00 0.52 -5.02 105.19 111.06 1sqz n GLY 14 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1sqz n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqz s LYS 16 N -0.14 3.54 0.10 1.61 1.02 -1.26 -5.02 119.74 119.59 1sqz s LYS 16 Ca 0.00 -0.11 -0.31 0.00 0.02 0.00 0.00 55.97 55.58 1sqz s LYS 16 Cb 0.00 -3.12 -0.07 0.00 -0.52 0.00 0.00 37.83 34.12 1sqz s LYS 16 CO 0.00 0.69 1.22 -0.51 -0.92 0.00 0.00 175.35 175.83 1sqz s LEU 17 N -1.56 4.39 0.24 3.17 1.43 -1.26 -3.59 118.68 121.50 1sqz s LEU 17 Ca 0.24 2.11 -0.05 0.00 -1.03 0.00 0.00 54.13 55.40 1sqz s LEU 17 Cb -0.13 -3.59 0.41 0.00 0.03 0.00 0.00 46.19 42.92 1sqz s LEU 17 CO 0.13 -0.47 1.76 0.00 0.23 0.00 0.00 176.35 178.01 1sqz h ALA 18 N 6.40 1.08 -3.02 4.21 0.00 -1.93 -1.45 119.26 124.55 1sqz h ALA 18 Ca -0.42 0.08 -0.65 0.00 0.00 0.00 0.00 54.91 53.91 1sqz h ALA 18 Cb 1.21 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.76 1sqz h ALA 18 CO 0.80 -0.09 -0.66 0.42 0.00 0.00 0.00 179.25 179.72 1sqz s ILE 19 N -6.03 4.00 -2.46 0.00 1.01 -1.26 -0.18 121.20 116.28 1sqz s ILE 19 Ca -0.12 -0.28 0.23 0.00 0.00 0.00 0.00 60.65 60.48 1sqz s ILE 19 Cb 0.20 -2.84 0.44 0.00 0.01 0.00 0.00 42.46 40.26 1sqz s ILE 19 CO 0.77 0.39 1.42 -0.81 0.00 0.00 0.00 174.94 176.70 1sqz n PRO 20 N 4.67 2.53 0.10 2.79 -0.04 -1.24 -4.97 135.00 138.85 1sqz n PRO 20 Ca -0.17 -2.32 -0.00 0.00 -0.04 0.00 0.00 63.50 60.97 1sqz n PRO 20 Cb 0.51 -1.52 0.30 0.00 -0.04 0.00 0.00 33.50 32.75 1sqz n PRO 20 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1sqz h SER 21 N 4.50 0.24 0.00 3.54 0.02 -1.14 -3.34 113.55 117.37 1sqz h SER 21 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1sqz h SER 21 Cb 0.99 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1sqz h SER 21 CO 0.00 0.52 0.00 -1.22 -1.14 0.00 0.00 176.83 174.99 1sqz n TYR 22 N -4.13 0.00 0.41 3.45 4.01 0.74 -4.67 117.16 116.97 1sqz n TYR 22 Ca -0.01 -0.27 0.12 0.00 -0.16 0.00 0.00 57.90 57.58 1sqz n TYR 22 Cb 0.38 -0.03 0.12 0.00 -0.31 0.00 0.00 39.34 39.51 1sqz n TYR 22 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1sqz h SER 23 N 0.00 0.00 -0.10 7.72 4.64 -1.37 -3.34 113.55 121.11 1sqz h SER 23 Ca 0.00 -0.13 -0.19 0.00 -0.47 0.00 0.00 61.79 61.00 1sqz h SER 23 Cb 0.70 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.44 1sqz h SER 23 CO 0.00 0.07 -0.92 -1.54 -0.87 0.00 0.00 176.83 173.57 1sqz n SER 24 N -2.35 0.74 -4.71 4.97 3.41 -1.20 -4.07 113.62 110.41 1sqz n SER 24 Ca 0.02 -2.02 -0.38 0.00 -0.26 0.00 0.00 58.87 56.24 1sqz n SER 24 Cb 0.48 -0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 1sqz n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1sqz s TYR 25 N -0.84 3.50 0.00 7.33 6.14 -1.12 -1.12 117.35 131.24 1sqz s TYR 25 Ca 0.27 0.92 0.00 0.00 0.64 0.00 0.00 57.07 58.90 1sqz s TYR 25 Cb 0.33 -2.60 0.00 0.00 0.42 0.00 0.00 41.96 40.11 1sqz s TYR 25 CO -0.12 0.13 0.00 0.41 0.64 0.00 0.00 175.55 176.61 1sqz n GLY 26 N 3.32 1.36 0.10 8.97 0.00 -0.01 -2.08 105.19 116.85 1sqz n GLY 26 Ca -0.06 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.46 1sqz n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqz n TYR 28 N -2.74 0.00 -2.68 0.00 4.02 -1.25 -4.04 117.16 110.47 1sqz n TYR 28 Ca -0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.40 1sqz n TYR 28 Cb 0.70 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.98 1sqz n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sqz n GLY 30 N 4.56 -5.37 2.20 0.00 0.00 -1.25 -2.79 105.19 102.54 1sqz n GLY 30 Ca 0.10 1.64 -0.02 0.00 0.00 0.00 0.00 46.02 47.74 1sqz n GLY 30 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1sqz n TRP 31 N 1.75 -2.63 0.00 1.61 -0.00 -1.26 -4.47 117.44 112.44 1sqz n TRP 31 Ca -0.38 1.38 0.00 0.00 -0.00 0.00 0.00 57.50 58.50 1sqz n TRP 31 Cb 0.59 -3.02 0.00 0.00 -0.00 0.00 0.00 31.31 28.88 1sqz n TRP 31 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1sqz n GLY 32 N 0.77 1.89 0.00 5.87 0.00 -1.26 -4.72 105.19 107.74 1sqz n GLY 32 Ca -0.14 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1sqz n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqz n GLY 33 N -0.15 -1.99 3.22 -0.02 0.00 -1.26 -4.74 105.19 100.25 1sqz n GLY 33 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1sqz n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqz s LYS 34 N 0.00 0.97 0.00 1.61 -2.85 -1.26 -4.78 119.74 113.42 1sqz s LYS 34 Ca 0.00 -1.24 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 1sqz s LYS 34 Cb 0.00 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 36.08 1sqz s LYS 34 CO 0.00 -0.31 0.00 0.41 0.10 0.00 0.00 175.35 175.55 1sqz n GLY 35 N -0.11 1.38 3.65 0.59 0.00 0.38 -4.49 105.19 106.60 1sqz n GLY 35 Ca -0.09 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 1sqz n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqz s THR 36 N -2.16 4.98 0.29 2.61 2.01 -1.26 -4.65 115.64 117.46 1sqz s THR 36 Ca 0.00 1.28 -0.28 0.00 0.31 0.00 0.00 61.69 63.00 1sqz s THR 36 Cb 0.00 -3.99 -0.14 0.00 0.01 0.00 0.00 72.50 68.38 1sqz s THR 36 CO 0.00 0.07 1.02 -2.65 -0.69 0.00 0.00 174.62 172.37 1sqz n PRO 37 N 5.27 1.35 0.14 4.92 -0.02 -1.26 -4.86 135.00 140.55 1sqz n PRO 37 Ca 0.00 0.47 -0.01 0.00 -2.02 0.00 0.00 63.50 61.95 1sqz n PRO 37 Cb 0.49 -1.85 0.22 0.00 -0.02 0.00 0.00 33.50 32.34 1sqz n PRO 37 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1sqz h LYS 38 N 2.04 0.03 0.00 -0.52 1.79 -1.94 -3.47 116.57 114.50 1sqz h LYS 38 Ca -0.40 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.08 1sqz h LYS 38 Cb 1.34 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1sqz h LYS 38 CO 0.61 0.57 0.15 -0.40 -1.08 0.00 0.00 179.45 179.29 1sqz n ASP 39 N -3.89 -0.62 -0.30 0.86 5.68 -1.26 -5.01 116.55 112.01 1sqz n ASP 39 Ca -0.01 -1.38 -0.03 0.00 -0.50 0.00 0.00 54.79 52.87 1sqz n ASP 39 Cb 0.56 1.03 0.12 0.00 -1.14 0.00 0.00 41.12 41.68 1sqz n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sqz h ALA 40 N 2.00 1.21 -0.33 2.12 0.00 -1.92 -0.86 119.26 121.48 1sqz h ALA 40 Ca -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1sqz h ALA 40 Cb 0.39 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1sqz h ALA 40 CO 0.12 0.64 0.18 1.15 0.00 0.00 0.00 179.25 181.33 1sqz h THR 41 N 1.19 1.14 -0.33 0.00 2.02 -1.92 -1.29 112.91 113.73 1sqz h THR 41 Ca 0.30 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1sqz h THR 41 Cb 0.04 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1sqz h THR 41 CO -0.05 0.14 0.06 -0.78 0.37 0.00 0.00 175.52 175.27 1sqz h ASP 42 N 0.40 0.43 0.13 4.18 3.58 -1.80 -1.15 116.42 122.19 1sqz h ASP 42 Ca 0.11 -0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.44 1sqz h ASP 42 Cb 0.07 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1sqz h ASP 42 CO -0.02 0.46 -0.22 0.03 -2.88 0.00 0.00 179.24 176.61 1sqz h ARG 43 N 0.47 0.17 -0.59 0.28 3.08 -0.48 0.59 114.38 117.90 1sqz h ARG 43 Ca 0.11 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.14 1sqz h ARG 43 Cb 0.21 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1sqz h ARG 43 CO -0.00 0.39 0.36 0.00 -1.07 0.00 0.00 179.97 179.65 1sqz h PHE 46 N 0.57 -0.21 -0.76 0.00 3.57 -0.44 0.12 116.94 119.80 1sqz h PHE 46 Ca 0.07 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 1sqz h PHE 46 Cb 0.78 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 1sqz h PHE 46 CO 0.04 -0.13 0.29 0.28 -2.23 0.00 0.00 178.31 176.56 1sqz h VAL 47 N -0.15 1.26 -0.72 1.41 2.07 -1.05 -0.97 116.25 118.09 1sqz h VAL 47 Ca 0.02 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 1sqz h VAL 47 Cb 0.18 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1sqz h VAL 47 CO -0.06 0.33 0.28 -0.74 0.02 0.00 0.00 177.57 177.40 1sqz h HIS 48 N 1.11 1.11 -0.69 1.57 -0.00 -0.79 0.19 115.15 117.64 1sqz h HIS 48 Ca 0.25 -0.09 -0.04 0.00 -0.00 0.00 0.00 60.37 60.49 1sqz h HIS 48 Cb 0.23 -0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 27.28 1sqz h HIS 48 CO 0.02 0.86 0.27 -0.44 -0.00 0.00 0.00 177.93 178.64 1sqz h ASP 49 N 1.04 0.96 -0.79 3.26 3.32 -0.37 -0.99 116.42 122.85 1sqz h ASP 49 Ca 0.24 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1sqz h ASP 49 Cb 0.23 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1sqz h ASP 49 CO -0.02 0.87 0.34 0.00 -1.72 0.00 0.00 179.24 178.72 1sqz h TYR 52 N 0.58 0.64 0.00 0.00 -1.99 -0.99 -2.14 116.97 113.07 1sqz h TYR 52 Ca 0.16 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 1sqz h TYR 52 Cb 0.04 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 38.60 1sqz h TYR 52 CO -0.02 0.66 -0.04 0.78 -0.00 0.00 0.00 178.16 179.54 1sqz h GLY 53 N 0.93 0.00 1.76 3.88 0.00 0.17 -0.39 103.07 109.42 1sqz h GLY 53 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1sqz h GLY 53 CO 0.03 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.56 1sqz n ASN 54 N -3.38 0.00 -3.20 0.19 2.85 -0.44 -4.07 115.26 107.20 1sqz n ASN 54 Ca -0.02 0.17 -0.28 0.00 -0.11 0.00 0.00 54.58 54.34 1sqz n ASN 54 Cb 0.17 -0.38 -0.05 0.00 1.24 0.00 0.00 39.78 40.75 1sqz n ASN 54 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1sqz n LEU 55 N -1.38 4.34 0.28 1.20 4.77 -0.16 -4.92 117.00 121.13 1sqz n LEU 55 Ca 0.10 -5.56 0.14 0.00 -0.03 0.00 0.00 56.01 50.66 1sqz n LEU 55 Cb 0.26 -0.65 0.82 0.00 -2.33 0.00 0.00 43.42 41.52 1sqz n LEU 55 CO 0.22 2.20 1.04 1.55 -1.33 0.00 0.00 177.39 181.08 1sqz h PRO 56 N 3.61 0.00 -0.54 3.23 0.13 -1.74 -1.16 132.00 135.53 1sqz h PRO 56 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1sqz h PRO 56 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1sqz h PRO 56 CO 0.86 0.07 0.00 -0.25 -0.23 0.00 0.00 178.00 178.44 1sqz n ASP 59 N -3.70 4.75 -4.76 1.44 10.43 -1.26 -4.93 116.55 118.51 1sqz n ASP 59 Ca -0.02 -2.65 -0.23 0.00 2.57 0.00 0.00 54.79 54.46 1sqz n ASP 59 Cb 0.17 -0.58 -0.06 0.00 1.84 0.00 0.00 41.12 42.49 1sqz n ASP 59 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1sqz n ASN 67 N -1.26 1.82 0.10 0.00 3.02 -1.26 -4.97 115.26 112.71 1sqz n ASN 67 Ca -0.01 -3.00 0.17 0.00 -0.03 0.00 0.00 54.58 51.71 1sqz n ASN 67 Cb 0.63 -0.66 0.71 0.00 -0.61 0.00 0.00 39.78 39.85 1sqz n ASN 67 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1sqz h PRO 68 N 4.52 0.00 0.00 3.52 0.11 -1.91 -0.71 132.00 137.53 1sqz h PRO 68 Ca 0.16 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.15 1sqz h PRO 68 Cb 0.78 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 1sqz h PRO 68 CO 0.62 0.00 -0.57 0.87 -0.21 0.00 0.00 178.00 178.72 1sqz h LYS 69 N 0.00 0.00 0.00 1.05 1.79 -1.93 -3.27 116.57 114.21 1sqz h LYS 69 Ca 0.16 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.59 1sqz h LYS 69 Cb 0.70 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.34 1sqz h LYS 69 CO -0.00 0.57 -1.24 -1.13 -1.08 0.00 0.00 179.45 176.57 1sqz n SER 70 N -3.70 4.05 -4.72 0.86 3.41 -0.90 -0.96 113.62 111.67 1sqz n SER 70 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 1sqz n SER 70 Cb 0.60 0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 65.32 1sqz n SER 70 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sqz s ASP 71 N -3.13 6.97 -0.03 4.04 -1.08 -0.32 -4.65 116.67 118.46 1sqz s ASP 71 Ca -0.02 2.17 -0.11 0.00 -0.52 0.00 0.00 52.55 54.07 1sqz s ASP 71 Cb 0.02 -2.58 -0.05 0.00 -1.46 0.00 0.00 42.92 38.84 1sqz s ASP 71 CO 0.16 -0.54 0.30 -0.13 0.52 0.00 0.00 175.17 175.48 1sqz s ARG 72 N 0.98 3.71 0.32 4.34 0.52 -1.26 0.25 118.95 127.80 1sqz s ARG 72 Ca 0.61 0.16 0.06 0.00 -0.52 0.00 0.00 55.73 56.04 1sqz s ARG 72 Cb -0.33 -3.18 -0.06 0.00 0.52 0.00 0.00 34.95 31.90 1sqz s ARG 72 CO 0.30 0.71 -0.02 1.52 0.02 0.00 0.00 175.30 177.83 1sqz s TYR 73 N -1.11 2.09 0.01 -0.53 -0.85 -1.26 -4.89 117.35 110.81 1sqz s TYR 73 Ca 0.22 -0.74 0.06 0.00 -0.52 0.00 0.00 57.07 56.09 1sqz s TYR 73 Cb -0.15 -1.29 -0.03 0.00 0.38 0.00 0.00 41.96 40.88 1sqz s TYR 73 CO 0.11 0.27 -0.17 0.15 -1.52 0.00 0.00 175.55 174.39 1sqz s LYS 74 N -3.75 2.20 0.08 -3.49 -0.14 -1.26 -4.93 119.74 108.44 1sqz s LYS 74 Ca 0.32 -0.89 -0.10 0.00 -1.36 0.00 0.00 55.97 53.93 1sqz s LYS 74 Cb 0.06 -2.24 0.01 0.00 -1.68 0.00 0.00 37.83 33.97 1sqz s LYS 74 CO 0.14 0.56 0.23 1.52 -0.76 0.00 0.00 175.35 177.05 1sqz s TYR 75 N -0.86 0.05 0.35 3.18 -0.85 -1.26 -0.99 117.35 116.96 1sqz s TYR 75 Ca 0.14 -0.39 0.03 0.00 -0.52 0.00 0.00 57.07 56.33 1sqz s TYR 75 Cb -0.11 0.01 -0.04 0.00 0.38 0.00 0.00 41.96 42.21 1sqz s TYR 75 CO 0.04 -0.54 0.13 -1.59 -1.52 0.00 0.00 175.55 172.07 1sqz s LYS 76 N -3.46 1.73 -0.15 -3.49 -2.85 -0.42 -4.92 119.74 106.18 1sqz s LYS 76 Ca 0.02 -2.01 0.00 0.00 -1.00 0.00 0.00 55.97 52.98 1sqz s LYS 76 Cb 0.03 -0.43 -0.00 0.00 -2.06 0.00 0.00 37.83 35.36 1sqz s LYS 76 CO -0.09 -0.41 -0.14 1.03 0.10 0.00 0.00 175.35 175.84 1sqz s ARG 77 N -3.79 3.26 -0.71 1.78 1.81 -1.26 -0.63 118.95 119.41 1sqz s ARG 77 Ca 0.31 -0.73 -0.02 0.00 -1.72 0.00 0.00 55.73 53.58 1sqz s ARG 77 Cb 0.05 -2.64 0.18 0.00 -0.45 0.00 0.00 34.95 32.08 1sqz s ARG 77 CO 0.16 0.05 0.54 0.08 -0.68 0.00 0.00 175.30 175.44 1sqz s VAL 78 N 0.75 3.79 -0.98 3.52 1.01 0.16 -4.74 120.40 123.91 1sqz s VAL 78 Ca -0.06 -3.37 -0.09 0.00 0.00 0.00 0.00 61.98 58.46 1sqz s VAL 78 Cb -0.15 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1sqz s VAL 78 CO 0.01 -0.95 0.80 0.59 0.00 0.00 0.00 175.10 175.55 1sqz n ASN 79 N 2.98 -6.39 0.00 3.32 4.13 -1.26 -2.77 115.26 115.27 1sqz n ASN 79 Ca 0.13 -0.66 0.00 0.00 1.68 0.00 0.00 54.58 55.72 1sqz n ASN 79 Cb 0.37 -4.35 0.00 0.00 -1.54 0.00 0.00 39.78 34.26 1sqz n ASN 79 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sqz n GLY 80 N -1.55 1.97 3.73 7.41 0.00 -1.26 -5.01 105.19 110.48 1sqz n GLY 80 Ca -0.08 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 1sqz n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqz s ALA 81 N -0.38 3.44 0.03 4.61 0.00 -1.12 -4.97 121.76 123.37 1sqz s ALA 81 Ca 0.00 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 1sqz s ALA 81 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1sqz s ALA 81 CO 0.00 -0.38 1.03 0.42 0.00 0.00 0.00 175.76 176.83 1sqz s ILE 82 N 0.11 4.60 -0.24 0.00 1.01 -1.26 -0.67 121.20 124.76 1sqz s ILE 82 Ca 0.54 1.92 0.01 0.00 0.00 0.00 0.00 60.65 63.12 1sqz s ILE 82 Cb -0.32 -4.23 0.06 0.00 0.01 0.00 0.00 42.46 37.98 1sqz s ILE 82 CO 0.35 0.18 -0.06 -0.69 0.00 0.00 0.00 174.94 174.72 1sqz s VAL 83 N 0.84 1.63 -0.02 2.92 1.01 0.20 -4.94 120.40 122.04 1sqz s VAL 83 Ca 0.53 -1.32 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1sqz s VAL 83 Cb -0.23 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 1sqz s VAL 83 CO 0.29 -0.12 1.44 0.00 0.00 0.00 0.00 175.10 176.71 1sqz s GLU 85 N 2.77 3.75 -0.10 0.00 2.02 -0.16 -4.97 118.70 122.01 1sqz s GLU 85 Ca 0.65 0.49 -0.30 0.00 0.02 0.00 0.00 54.97 55.83 1sqz s GLU 85 Cb -0.31 -2.35 -0.03 0.00 0.10 0.00 0.00 34.13 31.53 1sqz s GLU 85 CO 0.26 -0.11 1.41 0.21 0.02 0.00 0.00 175.26 177.05 1sqz s LYS 86 N -4.06 4.23 0.00 1.61 2.20 -1.26 -4.62 119.74 117.84 1sqz s LYS 86 Ca 0.51 1.88 0.00 0.00 -0.36 0.00 0.00 55.97 58.00 1sqz s LYS 86 Cb -0.10 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 1sqz s LYS 86 CO 0.34 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 175.03 1sqz n GLY 88 N 3.77 5.36 3.77 5.54 0.00 -1.26 -4.99 105.19 117.38 1sqz n GLY 88 Ca 0.15 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 1sqz n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sqz s THR 89 N 3.16 2.43 0.19 2.61 -4.23 -1.26 -4.78 115.64 113.77 1sqz s THR 89 Ca 0.00 0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.54 1sqz s THR 89 Cb 0.00 -2.82 0.11 0.00 1.34 0.00 0.00 72.50 71.13 1sqz s THR 89 CO 0.00 -0.18 1.82 0.28 -0.54 0.00 0.00 174.62 176.00 1sqz h SER 90 N -1.43 0.57 -0.42 3.99 0.02 -2.00 -0.71 113.55 113.56 1sqz h SER 90 Ca -0.50 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 1sqz h SER 90 Cb 1.31 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 1sqz h SER 90 CO 0.60 0.39 0.24 0.00 -1.14 0.00 0.00 176.83 176.91 1sqz h GLU 92 N 0.55 0.97 -0.49 0.00 5.08 -1.74 0.44 114.58 119.39 1sqz h GLU 92 Ca 0.15 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1sqz h GLU 92 Cb 0.04 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1sqz h GLU 92 CO -0.03 0.68 0.26 -0.91 -1.00 0.00 0.00 179.01 178.02 1sqz h ASN 93 N 0.97 0.62 -0.43 1.42 2.35 -0.92 -0.16 115.58 119.44 1sqz h ASN 93 Ca 0.26 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 1sqz h ASN 93 Cb -0.04 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1sqz h ASN 93 CO -0.05 0.55 -0.10 0.03 -1.65 0.00 0.00 177.43 176.20 1sqz h ARG 94 N 0.65 0.83 -0.28 0.81 3.08 -0.98 -1.67 114.38 116.81 1sqz h ARG 94 Ca 0.17 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1sqz h ARG 94 Cb 0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1sqz h ARG 94 CO -0.03 0.94 0.13 0.82 -1.07 0.00 0.00 179.97 180.77 1sqz h ILE 95 N 0.65 1.15 -0.70 2.04 2.04 -0.78 -2.00 117.51 119.91 1sqz h ILE 95 Ca 0.11 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.59 1sqz h ILE 95 Cb 0.64 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1sqz h ILE 95 CO 0.04 0.15 0.42 0.00 0.00 0.00 0.00 178.15 178.76 1sqz h GLU 97 N 0.79 0.95 -0.23 0.00 4.39 -1.03 0.12 114.58 119.57 1sqz h GLU 97 Ca 0.30 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1sqz h GLU 97 Cb 0.11 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1sqz h GLU 97 CO -0.15 0.73 0.11 0.00 -1.16 0.00 0.00 179.01 178.54 1sqz h ASP 99 N 0.23 0.56 -0.46 0.00 5.19 -0.73 -2.10 116.42 119.13 1sqz h ASP 99 Ca 0.08 -0.29 0.05 0.00 -0.62 0.00 0.00 57.03 56.25 1sqz h ASP 99 Cb 0.13 -0.15 -0.05 0.00 0.18 0.00 0.00 39.33 39.44 1sqz h ASP 99 CO -0.01 0.72 0.18 0.50 -3.12 0.00 0.00 179.24 177.51 1sqz h LYS 100 N 0.39 0.35 -0.57 3.56 3.64 -0.76 0.05 116.57 123.24 1sqz h LYS 100 Ca 0.10 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1sqz h LYS 100 Cb 0.41 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1sqz h LYS 100 CO 0.01 0.23 0.31 0.00 -2.27 0.00 0.00 179.45 177.73 1sqz h ALA 101 N 1.29 0.73 -0.52 5.00 0.00 -1.25 -1.49 119.26 123.02 1sqz h ALA 101 Ca 0.21 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1sqz h ALA 101 Cb 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1sqz h ALA 101 CO -0.20 0.25 0.09 0.00 0.00 0.00 0.00 179.25 179.40 1sqz h ALA 102 N 1.14 0.69 -0.61 0.00 0.00 -0.82 0.21 119.26 119.86 1sqz h ALA 102 Ca 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1sqz h ALA 102 Cb 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1sqz h ALA 102 CO -0.03 0.42 0.32 0.00 0.00 0.00 0.00 179.25 179.95 1sqz h ALA 103 N 0.98 0.79 -0.62 0.00 0.00 -0.78 0.12 119.26 119.75 1sqz h ALA 103 Ca 0.16 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1sqz h ALA 103 Cb 0.39 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1sqz h ALA 103 CO 0.01 0.33 0.19 0.82 0.00 0.00 0.00 179.25 180.60 1sqz h ILE 104 N 0.84 1.25 -0.62 0.00 2.04 -1.13 -1.70 117.51 118.18 1sqz h ILE 104 Ca 0.21 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 1sqz h ILE 104 Cb 0.08 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1sqz h ILE 104 CO -0.03 0.32 0.31 0.00 0.00 0.00 0.00 178.15 178.75 1sqz h PHE 106 N 0.86 0.96 -0.62 0.00 0.04 -0.50 -1.80 116.94 115.88 1sqz h PHE 106 Ca 0.22 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 1sqz h PHE 106 Cb 0.10 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 1sqz h PHE 106 CO -0.00 0.65 0.33 -0.09 -0.60 0.00 0.00 178.31 178.60 1sqz h ARG 107 N 0.98 0.88 0.00 1.51 9.65 -0.75 -1.31 114.38 125.34 1sqz h ARG 107 Ca 0.26 -0.11 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 1sqz h ARG 107 Cb -0.01 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.40 1sqz h ARG 107 CO -0.05 0.68 -0.07 0.37 2.80 0.00 0.00 179.97 183.70 1sqz h GLN 108 N 0.85 0.00 -0.11 0.20 4.15 -0.33 -3.03 115.11 116.84 1sqz h GLN 108 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.64 1sqz h GLN 108 Cb 0.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1sqz h GLN 108 CO -0.03 0.07 0.00 0.09 -1.93 0.00 0.00 178.83 177.03 1sqz n ASN 109 N -3.35 2.57 0.16 -0.69 3.02 -0.72 -4.63 115.26 111.61 1sqz n ASN 109 Ca -0.01 -2.46 0.14 0.00 -0.03 0.00 0.00 54.58 52.22 1sqz n ASN 109 Cb 0.23 -0.25 0.71 0.00 -0.61 0.00 0.00 39.78 39.87 1sqz n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1sqz h LEU 110 N 0.67 0.00 -2.22 3.41 3.38 -1.12 -1.58 115.31 117.84 1sqz h LEU 110 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sqz h LEU 110 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1sqz h LEU 110 CO 0.03 0.00 0.00 -0.55 0.09 0.00 0.00 178.44 178.01 1sqz h ASN 111 N 0.00 0.00 -0.01 -0.43 -0.00 -1.83 -2.69 115.58 110.62 1sqz h ASN 111 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.41 1sqz h ASN 111 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.77 1sqz h ASN 111 CO -0.00 0.00 -0.01 0.35 -0.00 0.00 0.00 177.43 177.77 1sqz n THR 112 N -3.07 0.00 -1.66 6.14 -2.24 -0.62 -5.03 114.28 107.79 1sqz n THR 112 Ca -0.01 -0.50 -0.46 0.00 -2.27 0.00 0.00 64.05 60.81 1sqz n THR 112 Cb 0.19 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.50 1sqz n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqz n TYR 113 N 0.29 2.05 -4.01 4.78 4.19 -1.02 -4.95 117.16 118.49 1sqz n TYR 113 Ca 0.03 0.44 -0.27 0.00 3.31 0.00 0.00 57.90 61.42 1sqz n TYR 113 Cb 0.14 -2.45 -0.17 0.00 0.49 0.00 0.00 39.34 37.35 1sqz n TYR 113 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1sqz s SER 114 N 0.39 2.13 0.47 2.98 0.15 -1.26 -5.01 113.70 113.56 1sqz s SER 114 Ca 0.72 -0.31 0.32 0.00 0.70 0.00 0.00 55.95 57.38 1sqz s SER 114 Cb -0.70 -0.85 1.72 0.00 -1.71 0.00 0.00 66.02 64.48 1sqz s SER 114 CO 0.47 -0.09 1.98 0.07 1.20 0.00 0.00 173.24 176.86 1sqz h LYS 115 N 7.99 0.00 0.00 5.44 2.10 -1.99 -1.80 116.57 128.31 1sqz h LYS 115 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1sqz h LYS 115 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1sqz h LYS 115 CO 0.42 0.00 0.00 1.57 -2.00 0.00 0.00 179.45 179.44 1sqz h LYS 116 N 0.00 0.00 -0.02 0.07 2.10 -2.01 -1.94 116.57 114.77 1sqz h LYS 116 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1sqz h LYS 116 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1sqz h LYS 116 CO 0.00 0.00 -0.05 0.66 -2.00 0.00 0.00 179.45 178.06 1sqz n TYR 117 N -2.39 0.00 -2.41 0.07 4.01 -0.68 -4.81 117.16 110.95 1sqz n TYR 117 Ca 0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.35 1sqz n TYR 117 Cb 0.19 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.17 1sqz n TYR 117 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1sqz s MET 118 N -2.08 4.54 -1.49 -0.72 -1.94 -0.73 -0.83 119.30 116.05 1sqz s MET 118 Ca 0.33 1.86 -0.06 0.00 -1.71 0.00 0.00 55.69 56.10 1sqz s MET 118 Cb 0.20 -3.11 0.01 0.00 2.01 0.00 0.00 34.83 33.94 1sqz s MET 118 CO 0.36 0.10 0.81 1.28 -0.01 0.00 0.00 175.02 177.56 1sqz n LEU 119 N 1.01 -2.90 -4.71 -0.03 4.77 -0.28 -4.90 117.00 109.97 1sqz n LEU 119 Ca -0.00 -0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.17 1sqz n LEU 119 Cb 0.45 -2.98 -0.03 0.00 -2.33 0.00 0.00 43.42 38.53 1sqz n LEU 119 CO 0.54 0.38 1.29 -0.47 -1.33 0.00 0.00 177.39 177.80 1sqz s TYR 120 N -3.23 2.76 0.24 -1.77 5.04 -1.10 -4.91 117.35 114.39 1sqz s TYR 120 Ca 0.41 0.46 -0.30 0.00 -2.44 0.00 0.00 57.07 55.19 1sqz s TYR 120 Cb -0.18 -3.97 -0.11 0.00 0.35 0.00 0.00 41.96 38.05 1sqz s TYR 120 CO 0.51 -3.72 1.53 -2.14 -1.34 0.00 0.00 175.55 170.38 1sqz s PRO 121 N 1.80 4.20 0.35 4.97 0.02 -1.26 -4.88 135.00 140.20 1sqz s PRO 121 Ca 0.72 2.42 0.09 0.00 0.02 0.00 0.00 61.00 64.25 1sqz s PRO 121 Cb -0.43 -3.09 0.82 0.00 0.02 0.00 0.00 34.50 31.82 1sqz s PRO 121 CO 0.32 -0.54 1.86 0.22 -0.33 0.00 0.00 177.00 178.53 1sqz h ASP 122 N 5.46 0.66 0.68 2.53 1.82 -1.94 -2.20 116.42 123.43 1sqz h ASP 122 Ca -0.45 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.23 1sqz h ASP 122 Cb 1.21 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.14 1sqz h ASP 122 CO 0.82 0.32 0.00 2.22 -1.61 0.00 0.00 179.24 181.00 1sqz n PHE 124 N -4.57 0.51 1.33 0.28 -1.74 -1.26 -0.53 117.46 111.47 1sqz n PHE 124 Ca 0.18 0.20 0.07 0.00 -0.56 0.00 0.00 57.45 57.33 1sqz n PHE 124 Cb 0.48 -0.82 0.25 0.00 1.52 0.00 0.00 39.48 40.91 1sqz n PHE 124 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1sqz n LEU 125 N -1.96 1.24 -3.98 5.98 4.77 -0.83 -4.57 117.00 117.65 1sqz n LEU 125 Ca 0.03 -0.58 -0.31 0.00 -0.03 0.00 0.00 56.01 55.12 1sqz n LEU 125 Cb 0.22 -0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 41.04 1sqz n LEU 125 CO 0.18 0.29 -0.29 0.00 -1.33 0.00 0.00 177.39 176.24 1sqz s LYS 127 N 0.63 0.91 0.00 0.00 -2.85 -1.26 -4.24 119.74 112.93 1sqz s LYS 127 Ca 0.13 -0.83 0.00 0.00 -1.00 0.00 0.00 55.97 54.26 1sqz s LYS 127 Cb -0.21 -0.92 0.00 0.00 -2.06 0.00 0.00 37.83 34.64 1sqz s LYS 127 CO -0.07 0.22 0.00 0.41 0.10 0.00 0.00 175.35 176.01 1sqz n GLY 128 N 1.68 1.39 3.67 0.59 0.00 -1.26 -3.26 105.19 108.01 1sqz n GLY 128 Ca -0.19 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 1sqz n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sqz s GLU 129 N -5.09 4.15 -0.23 1.61 -1.05 -1.26 0.14 118.70 116.97 1sqz s GLU 129 Ca 0.00 0.03 -0.08 0.00 -0.15 0.00 0.00 54.97 54.77 1sqz s GLU 129 Cb 0.00 -3.52 -0.03 0.00 -0.44 0.00 0.00 34.13 30.13 1sqz s GLU 129 CO 0.00 0.03 0.07 -0.51 0.95 0.00 0.00 175.26 175.80 1sqz s LEU 130 N 1.13 3.61 0.29 1.83 1.43 -1.26 -4.99 118.68 120.72 1sqz s LEU 130 Ca 0.15 -0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 1sqz s LEU 130 Cb -0.14 -1.95 -0.10 0.00 0.03 0.00 0.00 46.19 44.03 1sqz s LEU 130 CO 0.06 0.04 1.22 -0.54 0.23 0.00 0.00 176.35 177.36 1sqz s LYS 131 N 1.18 4.48 0.00 1.70 1.02 -1.26 -5.08 119.74 121.78 1sqz s LYS 131 Ca 0.05 2.01 0.17 0.00 0.02 0.00 0.00 55.97 58.22 1sqz s LYS 131 Cb -0.14 -3.14 1.03 0.00 -0.52 0.00 0.00 37.83 35.05 1sqz s LYS 131 CO 0.04 -0.03 1.43 0.00 -0.92 0.00 0.00 175.35 175.87