#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jzq s GLN 26 N 0.00 1.26 0.15 3.52 -0.21 -1.26 -4.53 119.66 118.59 3jzq s GLN 26 Ca 0.00 -0.97 0.04 0.00 0.02 0.00 0.00 55.36 54.45 3jzq s GLN 26 Cb 0.00 0.46 -0.05 0.00 1.00 0.00 0.00 33.01 34.42 3jzq s GLN 26 CO 0.00 -0.50 -0.07 0.14 -2.12 0.00 0.00 175.29 172.73 3jzq s VAL 27 N -3.90 1.03 -0.21 1.09 -7.23 0.71 -4.71 120.40 107.17 3jzq s VAL 27 Ca 0.11 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.23 3jzq s VAL 27 Cb 0.01 -1.91 0.01 0.00 0.56 0.00 0.00 36.38 35.04 3jzq s VAL 27 CO -0.03 -0.69 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.38 3jzq s ARG 28 N -3.79 3.17 0.21 4.82 3.52 0.56 -1.85 118.95 125.59 3jzq s ARG 28 Ca 0.18 -0.74 -0.30 0.00 -0.13 0.00 0.00 55.73 54.74 3jzq s ARG 28 Cb 0.04 -2.87 -0.08 0.00 -1.56 0.00 0.00 34.95 30.48 3jzq s ARG 28 CO 0.01 -0.23 0.97 -1.25 -0.81 0.00 0.00 175.30 173.99 3jzq s PRO 29 N 1.40 4.78 0.67 5.12 0.04 -1.26 -0.91 135.00 144.84 3jzq s PRO 29 Ca 0.05 1.53 -0.16 0.00 0.04 0.00 0.00 61.00 62.45 3jzq s PRO 29 Cb -0.14 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.11 3jzq s PRO 29 CO -0.07 0.39 1.17 0.15 0.04 0.00 0.00 177.00 178.68 3jzq s LYS 30 N -0.87 2.60 0.27 4.56 1.02 0.01 -4.56 119.74 122.78 3jzq s LYS 30 Ca 0.43 1.63 -0.06 0.00 0.02 0.00 0.00 55.97 57.99 3jzq s LYS 30 Cb -0.26 -1.90 0.49 0.00 -0.52 0.00 0.00 37.83 35.63 3jzq s LYS 30 CO 0.33 -1.45 1.51 -0.11 -0.92 0.00 0.00 175.35 174.71 3jzq n LEU 31 N -2.31 -0.32 -0.32 3.17 7.94 -1.26 -1.04 117.00 122.87 3jzq n LEU 31 Ca 0.12 1.66 0.04 0.00 -1.11 0.00 0.00 56.01 56.72 3jzq n LEU 31 Cb 0.51 -0.52 0.18 0.00 0.53 0.00 0.00 43.42 44.13 3jzq n LEU 31 CO 0.47 -1.61 1.19 -0.65 -1.11 0.00 0.00 177.39 175.68 3jzq h PRO 32 N 0.00 0.89 0.09 1.96 0.11 -1.97 -0.78 132.00 132.30 3jzq h PRO 32 Ca 0.48 -0.05 -0.26 0.00 0.11 0.00 0.00 66.00 66.27 3jzq h PRO 32 Cb 0.77 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 31.69 3jzq h PRO 32 CO -0.98 0.59 -1.16 1.25 -0.21 0.00 0.00 178.00 177.49 3jzq h LEU 33 N 0.91 0.52 -1.12 2.35 5.85 -1.43 -3.21 115.31 119.18 3jzq h LEU 33 Ca 0.43 -0.50 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 3jzq h LEU 33 Cb 0.35 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3jzq h LEU 33 CO -0.23 1.35 0.35 0.25 -0.34 0.00 0.00 178.44 179.81 3jzq h LEU 34 N 0.14 0.86 -0.78 2.25 5.85 -0.79 -1.07 115.31 121.78 3jzq h LEU 34 Ca -0.13 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 3jzq h LEU 34 Cb 1.85 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.62 3jzq h LEU 34 CO 0.20 0.72 0.23 0.11 -0.34 0.00 0.00 178.44 179.36 3jzq h LYS 35 N 0.96 1.15 -0.56 1.25 1.57 -1.19 0.49 116.57 120.24 3jzq h LYS 35 Ca 0.24 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3jzq h LYS 35 Cb 0.07 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3jzq h LYS 35 CO -0.03 0.97 0.15 0.82 -0.57 0.00 0.00 179.45 180.79 3jzq h ILE 36 N 1.10 1.24 -0.49 1.86 2.04 -1.42 -1.62 117.51 120.22 3jzq h ILE 36 Ca 0.24 -0.86 -0.07 0.00 1.00 0.00 0.00 64.86 65.18 3jzq h ILE 36 Cb 0.30 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3jzq h ILE 36 CO -0.01 0.32 0.05 -0.07 0.00 0.00 0.00 178.15 178.44 3jzq h LEU 37 N 0.79 0.80 -0.95 1.44 3.38 -0.67 -2.62 115.31 117.48 3jzq h LEU 37 Ca 0.18 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3jzq h LEU 37 Cb 0.32 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3jzq h LEU 37 CO -0.00 0.88 0.63 0.45 0.09 0.00 0.00 178.44 180.49 3jzq h HIS 38 N 0.70 1.18 0.00 1.13 3.86 -0.78 -0.75 115.15 120.50 3jzq h HIS 38 Ca 0.15 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3jzq h HIS 38 Cb 0.44 -0.40 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3jzq h HIS 38 CO 0.03 0.71 0.00 0.00 0.86 0.00 0.00 177.93 179.53 3jzq h ALA 39 N 1.37 1.00 -0.04 2.45 0.00 -0.93 0.35 119.26 123.46 3jzq h ALA 39 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3jzq h ALA 39 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3jzq h ALA 39 CO -0.10 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.15 3jzq n ALA 40 N -1.87 2.50 0.00 0.00 0.00 -0.37 -4.94 120.51 115.83 3jzq n ALA 40 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3jzq n ALA 40 Cb 0.17 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3jzq n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jzq n GLY 41 N 1.30 0.95 3.77 0.00 0.00 0.11 -4.81 105.19 106.51 3jzq n GLY 41 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3jzq n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jzq s ALA 42 N -2.00 3.28 -0.04 4.61 0.00 -0.69 -4.98 121.76 121.95 3jzq s ALA 42 Ca 0.00 1.03 0.06 0.00 0.00 0.00 0.00 51.96 53.05 3jzq s ALA 42 Cb 0.00 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 3jzq s ALA 42 CO 0.00 -0.50 -0.23 -0.65 0.00 0.00 0.00 175.76 174.38 3jzq s GLN 43 N -2.04 2.13 0.10 0.00 -0.21 -1.26 -4.37 119.66 114.01 3jzq s GLN 43 Ca 0.53 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 55.07 3jzq s GLN 43 Cb -0.33 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 31.75 3jzq s GLN 43 CO 0.43 0.43 0.00 0.41 -2.12 0.00 0.00 175.29 174.43 3jzq n GLY 44 N 2.75 -1.81 0.00 3.09 0.00 -1.26 -4.83 105.19 103.12 3jzq n GLY 44 Ca -0.17 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.86 3jzq n GLY 44 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3jzq n GLU 45 N 0.00 0.19 -4.92 1.61 0.28 -1.26 -5.02 120.64 111.52 3jzq n GLU 45 Ca 0.00 -0.01 -0.33 0.00 -0.16 0.00 0.00 57.16 56.67 3jzq n GLU 45 Cb 0.00 -0.21 -0.15 0.00 1.43 0.00 0.00 31.44 32.51 3jzq n GLU 45 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 3jzq s MET 46 N -0.03 3.13 0.14 3.44 -1.94 -1.26 -4.07 119.30 118.70 3jzq s MET 46 Ca 0.00 -0.74 -0.06 0.00 -1.71 0.00 0.00 55.69 53.18 3jzq s MET 46 Cb 0.00 -2.49 -0.02 0.00 2.01 0.00 0.00 34.83 34.33 3jzq s MET 46 CO 0.00 0.28 0.20 -0.06 -0.01 0.00 0.00 175.02 175.43 3jzq s PHE 47 N 0.15 0.50 0.67 -0.03 0.08 -0.77 -4.96 117.98 113.62 3jzq s PHE 47 Ca -0.09 -0.88 -0.03 0.00 0.12 0.00 0.00 56.93 56.05 3jzq s PHE 47 Cb -0.15 -0.19 0.07 0.00 -0.57 0.00 0.00 43.02 42.18 3jzq s PHE 47 CO 0.05 -0.63 0.94 0.95 -0.10 0.00 0.00 175.22 176.44 3jzq s THR 48 N -3.97 2.37 0.06 0.64 -4.23 -1.26 -0.21 115.64 109.04 3jzq s THR 48 Ca 0.17 -0.46 -0.26 0.00 -1.18 0.00 0.00 61.69 59.96 3jzq s THR 48 Cb 0.05 -2.91 -0.17 0.00 1.34 0.00 0.00 72.50 70.82 3jzq s THR 48 CO -0.01 0.00 1.61 0.58 -0.54 0.00 0.00 174.62 176.26 3jzq h VAL 49 N -0.40 0.88 -0.03 2.29 2.07 -1.97 -1.64 116.25 117.46 3jzq h VAL 49 Ca -0.42 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3jzq h VAL 49 Cb 1.29 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3jzq h VAL 49 CO 0.52 0.05 0.02 0.11 0.02 0.00 0.00 177.57 178.29 3jzq h LYS 50 N -0.32 0.01 -0.22 1.57 1.79 -1.98 -0.28 116.57 117.15 3jzq h LYS 50 Ca -0.02 -0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.37 3jzq h LYS 50 Cb 0.25 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.89 3jzq h LYS 50 CO 0.04 0.01 -0.18 1.49 -1.08 0.00 0.00 179.45 179.73 3jzq h GLU 51 N 0.02 0.50 -0.33 3.15 4.81 -1.83 0.42 114.58 121.32 3jzq h GLU 51 Ca 0.01 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 59.00 3jzq h GLU 51 Cb 0.03 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3jzq h GLU 51 CO -0.00 0.82 0.20 0.28 -0.73 0.00 0.00 179.01 179.58 3jzq h VAL 52 N 0.19 1.05 -0.92 0.32 2.07 -0.44 -2.19 116.25 116.33 3jzq h VAL 52 Ca 0.04 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3jzq h VAL 52 Cb 0.71 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3jzq h VAL 52 CO 0.05 0.07 0.52 0.24 0.02 0.00 0.00 177.57 178.47 3jzq h MET 53 N 0.41 1.27 0.28 1.57 2.86 -0.91 -1.89 114.93 118.52 3jzq h MET 53 Ca 0.13 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3jzq h MET 53 Cb -0.01 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.40 3jzq h MET 53 CO -0.05 0.92 -0.13 1.25 1.06 0.00 0.00 176.91 179.95 3jzq h HIS 54 N 1.28 -0.34 -0.13 -0.22 6.17 -0.45 -1.22 115.15 120.24 3jzq h HIS 54 Ca 0.33 -0.01 -0.08 0.00 0.71 0.00 0.00 60.37 61.32 3jzq h HIS 54 Cb -0.00 0.11 -0.01 0.00 2.52 0.00 0.00 27.41 30.03 3jzq h HIS 54 CO 0.01 -0.21 -0.28 1.88 0.71 0.00 0.00 177.93 180.05 3jzq h TYR 55 N -0.38 0.27 -0.60 5.26 0.05 -1.31 -0.92 116.97 119.32 3jzq h TYR 55 Ca -0.04 -0.05 -0.09 0.00 0.05 0.00 0.00 58.73 58.60 3jzq h TYR 55 Cb 0.29 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 3jzq h TYR 55 CO -0.05 0.50 0.01 1.25 -1.05 0.00 0.00 178.16 178.82 3jzq h LEU 56 N 0.22 1.04 -0.74 3.88 5.85 -1.15 0.51 115.31 124.91 3jzq h LEU 56 Ca 0.03 -0.30 -0.12 0.00 0.84 0.00 0.00 57.88 58.34 3jzq h LEU 56 Cb 0.61 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3jzq h LEU 56 CO 0.04 1.08 -0.28 1.23 -0.34 0.00 0.00 178.44 180.18 3jzq h GLY 57 N 0.96 0.72 1.49 3.75 0.00 -0.86 -2.21 103.07 106.93 3jzq h GLY 57 Ca 0.17 -0.63 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 3jzq h GLY 57 CO 0.03 0.57 -0.34 1.46 0.00 0.00 0.00 176.54 178.26 3jzq h GLN 58 N 0.57 0.57 0.13 4.80 1.08 -0.83 -0.38 115.11 121.06 3jzq h GLN 58 Ca 0.07 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.01 3jzq h GLN 58 Cb 0.76 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 3jzq h GLN 58 CO 0.06 0.83 -0.06 -0.92 -0.95 0.00 0.00 178.83 177.79 3jzq h TYR 59 N 0.48 -0.16 -0.76 2.96 3.20 -0.71 0.26 116.97 122.24 3jzq h TYR 59 Ca 0.05 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 3jzq h TYR 59 Cb 0.82 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 3jzq h TYR 59 CO 0.03 -0.07 0.28 0.82 -1.64 0.00 0.00 178.16 177.58 3jzq h ILE 60 N -0.21 1.26 -0.09 1.81 2.04 -1.22 -1.55 117.51 119.55 3jzq h ILE 60 Ca -0.02 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 3jzq h ILE 60 Cb 0.16 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3jzq h ILE 60 CO 0.03 0.34 -0.05 0.24 0.00 0.00 0.00 178.15 178.71 3jzq h MET 61 N 1.11 0.20 -0.09 2.37 2.86 -0.89 -0.31 114.93 120.17 3jzq h MET 61 Ca 0.25 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3jzq h MET 61 Cb 0.24 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 3jzq h MET 61 CO -0.02 0.56 0.06 0.28 1.06 0.00 0.00 176.91 178.86 3jzq h VAL 62 N -0.17 1.03 0.00 -2.22 2.07 -0.37 -1.88 116.25 114.70 3jzq h VAL 62 Ca 0.02 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3jzq h VAL 62 Cb 0.51 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3jzq h VAL 62 CO 0.01 0.03 0.00 0.29 0.02 0.00 0.00 177.57 177.92 3jzq n LYS 63 N -5.02 0.94 -3.72 1.57 5.02 -0.59 -4.90 118.16 111.45 3jzq n LYS 63 Ca -0.05 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.91 3jzq n LYS 63 Cb 0.03 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.61 3jzq n LYS 63 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3jzq n GLN 64 N -0.97 -1.24 0.00 1.97 6.02 -0.70 -4.89 117.38 117.57 3jzq n GLN 64 Ca 0.21 0.43 0.13 0.00 -0.01 0.00 0.00 57.00 57.76 3jzq n GLN 64 Cb 0.10 -4.03 0.41 0.00 1.02 0.00 0.00 30.24 27.73 3jzq n GLN 64 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3jzq n LEU 65 N -4.25 0.33 -4.93 1.08 4.77 -0.21 -4.88 117.00 108.90 3jzq n LEU 65 Ca -0.10 0.18 -0.25 0.00 -0.03 0.00 0.00 56.01 55.80 3jzq n LEU 65 Cb 0.59 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 3jzq n LEU 65 CO 0.68 0.08 0.27 -0.72 -1.33 0.00 0.00 177.39 176.37 3jzq s TYR 66 N -2.96 3.52 0.29 -1.77 -0.85 -1.26 -0.09 117.35 114.23 3jzq s TYR 66 Ca 0.13 0.52 -0.26 0.00 -0.52 0.00 0.00 57.07 56.95 3jzq s TYR 66 Cb 0.18 -2.05 -0.09 0.00 0.38 0.00 0.00 41.96 40.38 3jzq s TYR 66 CO 0.62 -0.02 0.91 0.34 -1.52 0.00 0.00 175.55 175.88 3jzq s ASP 67 N -4.04 7.36 0.31 -0.18 -1.08 -0.07 -4.91 116.67 114.06 3jzq s ASP 67 Ca 0.43 1.80 0.12 0.00 -0.52 0.00 0.00 52.55 54.38 3jzq s ASP 67 Cb -0.10 -2.56 0.49 0.00 -1.46 0.00 0.00 42.92 39.29 3jzq s ASP 67 CO 0.39 -0.00 1.68 1.56 0.52 0.00 0.00 175.17 179.32 3jzq h GLN 68 N 3.43 0.00 0.04 4.34 1.08 -1.96 -2.97 115.11 119.07 3jzq h GLN 68 Ca -0.47 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.49 3jzq h GLN 68 Cb 1.19 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.60 3jzq h GLN 68 CO 0.66 0.53 -1.32 0.37 -0.95 0.00 0.00 178.83 178.12 3jzq h GLN 69 N 0.00 0.08 -3.21 1.46 5.75 -1.99 -3.40 115.11 113.79 3jzq h GLN 69 Ca -0.01 -0.14 -0.71 0.00 -0.15 0.00 0.00 58.65 57.65 3jzq h GLN 69 Cb 0.96 0.05 -0.35 0.00 1.07 0.00 0.00 27.48 29.21 3jzq h GLN 69 CO 0.07 1.07 -0.05 0.39 -2.65 0.00 0.00 178.83 177.65 3jzq n GLU 70 N -4.21 2.78 0.06 1.69 1.02 -1.25 -4.94 120.64 115.79 3jzq n GLU 70 Ca -0.29 -4.50 0.05 0.00 -0.02 0.00 0.00 57.16 52.39 3jzq n GLU 70 Cb 0.76 -2.41 0.23 0.00 -0.02 0.00 0.00 31.44 30.00 3jzq n GLU 70 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3jzq n GLN 71 N 2.14 0.05 0.05 3.49 6.02 -1.12 -0.65 117.38 127.36 3jzq n GLN 71 Ca 0.23 0.53 0.13 0.00 -0.01 0.00 0.00 57.00 57.88 3jzq n GLN 71 Cb 0.37 -1.67 0.48 0.00 1.02 0.00 0.00 30.24 30.44 3jzq n GLN 71 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 3jzq n HIS 72 N -1.78 0.46 -3.04 1.08 1.44 -1.26 -4.64 115.22 107.48 3jzq n HIS 72 Ca -0.00 0.13 -0.40 0.00 -2.01 0.00 0.00 57.72 55.44 3jzq n HIS 72 Cb 0.03 -0.70 -0.05 0.00 0.12 0.00 0.00 29.99 29.39 3jzq n HIS 72 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3jzq s MET 73 N -3.06 4.38 -0.12 -1.40 -1.94 0.18 -0.54 119.30 116.80 3jzq s MET 73 Ca 0.12 0.85 0.02 0.00 -1.71 0.00 0.00 55.69 54.97 3jzq s MET 73 Cb 0.16 -3.48 0.01 0.00 2.01 0.00 0.00 34.83 33.52 3jzq s MET 73 CO 0.58 -0.04 -0.19 0.08 -0.01 0.00 0.00 175.02 175.44 3jzq s VAL 74 N 1.16 1.80 -0.28 -6.03 1.01 -0.36 -0.89 120.40 116.81 3jzq s VAL 74 Ca 0.36 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 3jzq s VAL 74 Cb -0.17 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3jzq s VAL 74 CO 0.16 0.50 0.11 -0.47 0.00 0.00 0.00 175.10 175.40 3jzq s TYR 75 N 0.85 3.14 -0.39 5.22 5.04 0.87 -1.65 117.35 130.42 3jzq s TYR 75 Ca -0.08 -0.46 0.04 0.00 -2.44 0.00 0.00 57.07 54.12 3jzq s TYR 75 Cb -0.15 -2.29 0.06 0.00 0.35 0.00 0.00 41.96 39.92 3jzq s TYR 75 CO -0.01 -0.39 0.81 0.00 -1.34 0.00 0.00 175.55 174.62 3jzq n GLY 77 N 0.05 0.96 2.23 0.00 0.00 -0.82 -1.65 105.19 105.96 3jzq n GLY 77 Ca 0.03 0.38 -0.00 0.00 0.00 0.00 0.00 46.02 46.42 3jzq n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jzq n GLY 78 N 1.23 0.39 3.33 -0.02 0.00 -1.26 -4.98 105.19 103.87 3jzq n GLY 78 Ca 0.06 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 3jzq n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jzq s ASP 79 N -2.02 2.75 0.59 1.61 2.15 -0.66 -5.01 116.67 116.08 3jzq s ASP 79 Ca 0.00 -0.79 0.33 0.00 0.43 0.00 0.00 52.55 52.52 3jzq s ASP 79 Cb 0.00 -0.16 1.87 0.00 -0.30 0.00 0.00 42.92 44.32 3jzq s ASP 79 CO 0.00 0.03 2.23 -0.07 -0.17 0.00 0.00 175.17 177.19 3jzq h LEU 80 N 3.61 0.00 -0.74 -1.34 3.38 -1.95 -1.73 115.31 116.54 3jzq h LEU 80 Ca -0.45 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.43 3jzq h LEU 80 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3jzq h LEU 80 CO 0.45 0.03 0.00 0.25 0.09 0.00 0.00 178.44 179.26 3jzq h LEU 81 N 0.00 0.94 -0.87 1.67 5.85 -1.95 -2.00 115.31 118.94 3jzq h LEU 81 Ca -0.00 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.36 3jzq h LEU 81 Cb 0.10 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3jzq h LEU 81 CO 0.00 1.00 -0.33 1.23 -0.34 0.00 0.00 178.44 180.00 3jzq h GLY 82 N 1.00 0.47 1.58 3.75 0.00 -1.21 0.26 103.07 108.92 3jzq h GLY 82 Ca 0.16 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 3jzq h GLY 82 CO 0.03 0.39 -0.29 -2.09 0.00 0.00 0.00 176.54 174.57 3jzq h GLU 83 N 0.38 0.48 -0.03 4.80 4.81 -1.24 -0.44 114.58 123.34 3jzq h GLU 83 Ca 0.05 -0.20 -0.23 0.00 -0.13 0.00 0.00 59.36 58.85 3jzq h GLU 83 Cb 0.76 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 30.14 3jzq h GLU 83 CO 0.06 0.73 -0.87 1.25 -0.73 0.00 0.00 179.01 179.45 3jzq h LEU 84 N 0.42 0.82 -1.09 1.64 5.85 -1.11 -3.21 115.31 118.64 3jzq h LEU 84 Ca 0.06 -0.72 -0.03 0.00 0.84 0.00 0.00 57.88 58.03 3jzq h LEU 84 Cb 0.72 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 3jzq h LEU 84 CO 0.06 1.42 -0.16 -0.07 -0.34 0.00 0.00 178.44 179.35 3jzq h LEU 85 N 0.30 0.00 0.06 2.25 3.38 -0.82 -3.47 115.31 117.00 3jzq h LEU 85 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3jzq h LEU 85 Cb 1.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 3jzq h LEU 85 CO 0.17 0.16 -0.02 0.61 0.09 0.00 0.00 178.44 179.45 3jzq n GLY 86 N 0.23 0.45 3.07 0.83 0.00 -0.20 -4.94 105.19 104.62 3jzq n GLY 86 Ca 0.01 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 3jzq n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jzq s ARG 87 N -2.25 0.52 0.04 1.61 0.52 -1.02 -5.04 118.95 113.33 3jzq s ARG 87 Ca 0.00 -0.90 0.23 0.00 -0.52 0.00 0.00 55.73 54.55 3jzq s ARG 87 Cb 0.00 0.19 0.11 0.00 0.52 0.00 0.00 34.95 35.77 3jzq s ARG 87 CO 0.00 -0.11 1.09 1.04 0.02 0.00 0.00 175.30 177.35 3jzq n GLN 88 N 0.75 0.21 -3.59 3.54 6.02 -1.26 -4.40 117.38 118.65 3jzq n GLN 88 Ca -0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.72 3jzq n GLN 88 Cb 0.58 -1.57 -0.02 0.00 1.02 0.00 0.00 30.24 30.25 3jzq n GLN 88 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3jzq s SER 89 N -3.69 -0.39 0.19 1.08 1.04 -1.26 -1.31 113.70 109.36 3jzq s SER 89 Ca 0.05 -0.20 -0.23 0.00 0.48 0.00 0.00 55.95 56.05 3jzq s SER 89 Cb 0.15 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.89 3jzq s SER 89 CO 0.79 -0.97 0.69 0.72 0.98 0.00 0.00 173.24 175.45 3jzq s PHE 90 N -3.57 -0.37 -0.11 5.02 -0.12 -0.66 -4.98 117.98 113.19 3jzq s PHE 90 Ca 0.06 0.07 0.01 0.00 -0.05 0.00 0.00 56.93 57.02 3jzq s PHE 90 Cb -0.02 0.62 -0.02 0.00 -0.63 0.00 0.00 43.02 42.97 3jzq s PHE 90 CO -0.05 -0.96 -0.15 0.45 -0.05 0.00 0.00 175.22 174.46 3jzq s SER 91 N -2.80 3.92 0.57 1.98 0.15 -1.26 -1.22 113.70 115.03 3jzq s SER 91 Ca 0.06 -0.32 0.36 0.00 0.70 0.00 0.00 55.95 56.75 3jzq s SER 91 Cb -0.03 -1.41 1.66 0.00 -1.71 0.00 0.00 66.02 64.54 3jzq s SER 91 CO -0.05 0.21 2.08 0.58 1.20 0.00 0.00 173.24 177.26 3jzq h VAL 92 N 5.19 0.00 0.00 4.45 2.07 -1.18 -1.53 116.25 125.24 3jzq h VAL 92 Ca -0.30 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3jzq h VAL 92 Cb 1.20 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3jzq h VAL 92 CO 0.54 0.00 0.00 0.50 0.02 0.00 0.00 177.57 178.63 3jzq h LYS 93 N 0.00 0.00 -2.08 1.57 3.64 -1.95 -3.32 116.57 114.44 3jzq h LYS 93 Ca 0.00 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 3jzq h LYS 93 Cb 0.34 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.76 3jzq h LYS 93 CO 0.00 0.00 -0.96 -0.25 -2.27 0.00 0.00 179.45 175.97 3jzq n ASP 94 N -2.87 1.16 0.00 4.20 8.00 -0.58 -5.00 116.55 121.46 3jzq n ASP 94 Ca 0.02 -2.89 0.04 0.00 0.71 0.00 0.00 54.79 52.67 3jzq n ASP 94 Cb 0.38 -0.65 0.23 0.00 -0.02 0.00 0.00 41.12 41.06 3jzq n ASP 94 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3jzq n PRO 95 N 1.32 0.23 -0.27 -0.24 -0.04 -1.21 -4.24 135.00 130.55 3jzq n PRO 95 Ca 0.24 0.01 0.02 0.00 -0.04 0.00 0.00 63.50 63.73 3jzq n PRO 95 Cb 0.49 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.55 3jzq n PRO 95 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3jzq h SER 96 N 0.00 -0.74 -0.31 3.54 0.87 -1.94 0.39 113.55 115.36 3jzq h SER 96 Ca 0.00 0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3jzq h SER 96 Cb 0.00 0.49 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 3jzq h SER 96 CO 0.00 -0.26 0.20 -0.65 -0.53 0.00 0.00 176.83 175.59 3jzq h PRO 97 N -0.00 0.43 -0.00 2.24 0.11 -1.96 0.44 132.00 133.26 3jzq h PRO 97 Ca 0.37 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.45 3jzq h PRO 97 Cb 0.57 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 3jzq h PRO 97 CO -0.80 0.30 -0.00 1.25 -0.21 0.00 0.00 178.00 178.53 3jzq h LEU 98 N 0.44 0.01 -1.32 2.35 5.85 -0.58 -1.82 115.31 120.24 3jzq h LEU 98 Ca 0.12 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 3jzq h LEU 98 Cb -0.02 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3jzq h LEU 98 CO -0.02 0.39 0.08 1.88 -0.34 0.00 0.00 178.44 180.43 3jzq h TYR 99 N -0.38 0.55 -0.38 1.25 0.05 -0.89 -1.44 116.97 115.73 3jzq h TYR 99 Ca 0.00 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 3jzq h TYR 99 Cb 0.39 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3jzq h TYR 99 CO 0.06 0.48 0.03 0.22 -1.05 0.00 0.00 178.16 177.90 3jzq h ASP 100 N 0.53 0.63 -0.67 3.88 3.58 -0.85 -0.77 116.42 122.75 3jzq h ASP 100 Ca 0.12 -0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.27 3jzq h ASP 100 Cb 0.22 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 3jzq h ASP 100 CO -0.00 0.76 0.37 -0.03 -2.88 0.00 0.00 179.24 177.46 3jzq h MET 101 N 0.48 0.93 -0.55 0.28 4.05 -0.93 -2.34 114.93 116.85 3jzq h MET 101 Ca 0.11 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 3jzq h MET 101 Cb 0.42 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 3jzq h MET 101 CO 0.01 0.69 0.27 -0.07 0.23 0.00 0.00 176.91 178.05 3jzq h LEU 102 N 0.92 0.71 -1.53 3.39 3.38 -1.06 -1.08 115.31 120.03 3jzq h LEU 102 Ca 0.24 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3jzq h LEU 102 Cb 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3jzq h LEU 102 CO -0.04 0.63 0.32 -0.09 0.09 0.00 0.00 178.44 179.35 3jzq h ARG 103 N 0.73 0.63 0.00 1.13 1.12 -0.93 0.90 114.38 117.96 3jzq h ARG 103 Ca 0.19 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 59.02 3jzq h ARG 103 Cb 0.11 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 29.92 3jzq h ARG 103 CO -0.02 0.42 -0.01 0.87 -3.11 0.00 0.00 179.97 178.11 3jzq h LYS 104 N 0.65 0.00 0.00 0.20 1.57 -0.84 -3.36 116.57 114.78 3jzq h LYS 104 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3jzq h LYS 104 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3jzq h LYS 104 CO -0.04 0.00 -0.00 0.09 -0.57 0.00 0.00 179.45 178.93 3jzq n ASN 105 N -2.44 1.68 -4.08 0.86 3.02 -0.47 -4.97 115.26 108.85 3jzq n ASN 105 Ca 0.05 -1.86 -0.26 0.00 -0.03 0.00 0.00 54.58 52.47 3jzq n ASN 105 Cb 0.45 -0.01 -0.17 0.00 -0.61 0.00 0.00 39.78 39.45 3jzq n ASN 105 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3jzq s LEU 106 N -0.88 1.79 -0.11 3.41 1.43 0.22 -0.81 118.68 123.73 3jzq s LEU 106 Ca 0.01 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 3jzq s LEU 106 Cb 0.01 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 3jzq s LEU 106 CO 0.00 0.08 -0.17 -0.69 0.23 0.00 0.00 176.35 175.80 3jzq s VAL 107 N 0.50 2.68 -2.00 -1.59 1.01 -0.08 -4.85 120.40 116.07 3jzq s VAL 107 Ca -0.14 -0.80 0.26 0.00 0.00 0.00 0.00 61.98 61.30 3jzq s VAL 107 Cb -0.16 -2.09 0.75 0.00 0.00 0.00 0.00 36.38 34.88 3jzq s VAL 107 CO 0.05 0.54 1.93 0.35 0.00 0.00 0.00 175.10 177.96