#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3j s PRO 23 N 0.00 3.57 0.10 -0.78 0.04 -1.26 -4.97 135.00 131.71 2a3j s PRO 23 Ca 0.00 1.46 -0.31 0.00 0.04 0.00 0.00 61.00 62.19 2a3j s PRO 23 Cb 0.00 -4.10 -0.08 0.00 0.04 0.00 0.00 34.50 30.36 2a3j s PRO 23 CO 0.00 -1.57 1.37 -1.25 0.04 0.00 0.00 177.00 175.59 2a3j s PRO 24 N 5.12 4.33 -0.86 0.56 0.04 -1.26 -4.98 135.00 137.95 2a3j s PRO 24 Ca 0.73 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.81 2a3j s PRO 24 Cb -0.22 -3.27 0.26 0.00 0.04 0.00 0.00 34.50 31.30 2a3j s PRO 24 CO 0.32 -0.42 0.98 0.72 0.04 0.00 0.00 177.00 178.64 2a3j n HIS 25 N 4.00 3.43 -2.28 0.56 8.25 -1.26 -4.75 115.22 123.16 2a3j n HIS 25 Ca 0.11 -3.68 -0.17 0.00 -0.26 0.00 0.00 57.72 53.73 2a3j n HIS 25 Cb 0.43 -0.97 -0.02 0.00 1.12 0.00 0.00 29.99 30.56 2a3j n HIS 25 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2a3j n THR 26 N 1.49 -0.68 -1.31 1.59 -1.04 -1.26 -4.57 114.28 108.49 2a3j n THR 26 Ca 0.26 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.32 2a3j n THR 26 Cb 0.37 -2.29 -0.03 0.00 -1.82 0.00 0.00 70.33 66.56 2a3j n THR 26 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2a3j n GLU 27 N -2.80 -3.31 -0.02 -2.82 1.02 -1.26 -4.76 120.64 106.69 2a3j n GLU 27 Ca -0.20 2.62 -0.13 0.00 -0.02 0.00 0.00 57.16 59.43 2a3j n GLU 27 Cb 0.64 -3.42 -0.09 0.00 -0.02 0.00 0.00 31.44 28.54 2a3j n GLU 27 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2a3j h PRO 28 N -0.35 0.08 0.00 3.49 0.13 -1.96 -3.46 132.00 129.93 2a3j h PRO 28 Ca -0.06 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2a3j h PRO 28 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2a3j h PRO 28 CO 0.02 0.55 0.00 0.45 -0.23 0.00 0.00 178.00 178.79 2a3j n SER 29 N -4.79 0.00 -1.81 1.44 2.88 -1.26 -4.52 113.62 105.56 2a3j n SER 29 Ca -0.08 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.40 2a3j n SER 29 Cb 0.28 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 63.99 2a3j n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a3j n GLN 30 N 0.00 3.23 -4.08 -1.46 6.02 -1.26 -3.29 117.38 116.54 2a3j n GLN 30 Ca 0.00 -2.53 -0.10 0.00 -0.01 0.00 0.00 57.00 54.36 2a3j n GLN 30 Cb 0.00 -2.06 -0.11 0.00 1.02 0.00 0.00 30.24 29.10 2a3j n GLN 30 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2a3j s VAL 31 N -2.56 0.41 -0.01 5.09 -7.23 -1.26 -0.30 120.40 114.53 2a3j s VAL 31 Ca 0.46 -1.47 0.03 0.00 -1.81 0.00 0.00 61.98 59.19 2a3j s VAL 31 Cb 0.36 -1.07 -0.01 0.00 0.56 0.00 0.00 36.38 36.22 2a3j s VAL 31 CO 0.11 -0.71 -0.11 0.68 -0.31 0.00 0.00 175.10 174.76 2a3j s VAL 32 N -2.69 0.87 -0.25 1.32 -7.23 -0.59 -3.09 120.40 108.75 2a3j s VAL 32 Ca -0.01 -0.47 -0.07 0.00 -1.81 0.00 0.00 61.98 59.62 2a3j s VAL 32 Cb -0.01 -0.73 -0.02 0.00 0.56 0.00 0.00 36.38 36.18 2a3j s VAL 32 CO -0.04 0.24 0.05 -0.22 -0.31 0.00 0.00 175.10 174.83 2a3j s LEU 33 N -0.26 3.36 0.04 1.32 2.96 0.53 -0.68 118.68 125.95 2a3j s LEU 33 Ca 0.04 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 2a3j s LEU 33 Cb -0.04 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2a3j s LEU 33 CO -0.00 -0.04 0.01 0.27 -1.32 0.00 0.00 176.35 175.27 2a3j s ILE 34 N 1.59 4.17 0.14 6.68 -0.00 0.27 -2.79 121.20 131.27 2a3j s ILE 34 Ca 0.06 -0.74 0.02 0.00 -0.00 0.00 0.00 60.65 59.99 2a3j s ILE 34 Cb -0.15 -2.92 -0.01 0.00 -0.00 0.00 0.00 42.46 39.38 2a3j s ILE 34 CO 0.02 0.26 0.14 0.35 -0.00 0.00 0.00 174.94 175.72 2a3j n THR 35 N 1.01 0.00 -1.85 8.37 -2.24 -1.24 -1.49 114.28 116.84 2a3j n THR 35 Ca -0.12 -0.95 -0.15 0.00 -2.27 0.00 0.00 64.05 60.56 2a3j n THR 35 Cb 0.52 0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 69.21 2a3j n THR 35 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2a3j n ASN 36 N -2.31 -4.64 -4.82 3.42 5.15 -1.24 -3.98 115.26 106.84 2a3j n ASN 36 Ca 0.02 0.18 -0.37 0.00 -0.60 0.00 0.00 54.58 53.81 2a3j n ASN 36 Cb 0.25 -3.61 -0.06 0.00 -0.53 0.00 0.00 39.78 35.83 2a3j n ASN 36 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2a3j s ILE 37 N -2.64 5.23 -0.11 -1.44 -4.36 -1.19 -4.82 121.20 111.87 2a3j s ILE 37 Ca 0.00 0.60 -0.27 0.00 -0.26 0.00 0.00 60.65 60.72 2a3j s ILE 37 Cb 0.00 -3.61 -0.02 0.00 1.25 0.00 0.00 42.46 40.08 2a3j s ILE 37 CO 0.00 0.54 0.89 0.20 0.24 0.00 0.00 174.94 176.81 2a3j s ASN 38 N -0.68 7.11 0.00 4.36 -0.87 -1.26 -4.51 114.94 119.09 2a3j s ASN 38 Ca 0.20 1.36 0.15 0.00 -1.57 0.00 0.00 52.86 53.00 2a3j s ASN 38 Cb -0.15 -2.50 0.72 0.00 -0.02 0.00 0.00 41.25 39.30 2a3j s ASN 38 CO 0.09 -0.35 1.42 -0.81 -2.57 0.00 0.00 177.10 174.88 2a3j n PRO 39 N 4.73 0.16 -0.13 -0.60 -0.04 -1.26 -3.32 135.00 134.54 2a3j n PRO 39 Ca 0.05 0.17 0.27 0.00 -0.04 0.00 0.00 63.50 63.95 2a3j n PRO 39 Cb 0.49 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.18 2a3j n PRO 39 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2a3j h GLU 40 N 0.00 0.00 -5.76 0.54 5.08 -1.91 -3.39 114.58 109.14 2a3j h GLU 40 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 2a3j h GLU 40 Cb 0.16 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.34 2a3j h GLU 40 CO 0.00 0.00 -0.22 0.54 -1.00 0.00 0.00 179.01 178.33 2a3j s VAL 41 N -4.89 5.18 0.31 3.13 0.11 -1.21 -5.06 120.40 117.96 2a3j s VAL 41 Ca -0.05 0.78 -0.29 0.00 -2.93 0.00 0.00 61.98 59.49 2a3j s VAL 41 Cb 0.20 -3.72 -0.10 0.00 -1.53 0.00 0.00 36.38 31.23 2a3j s VAL 41 CO 0.72 0.44 1.23 -2.16 -3.33 0.00 0.00 175.10 172.00 2a3j s PRO 42 N -0.05 4.46 0.46 1.54 0.04 -1.26 -4.73 135.00 135.46 2a3j s PRO 42 Ca 0.22 2.06 0.27 0.00 0.04 0.00 0.00 61.00 63.59 2a3j s PRO 42 Cb -0.15 -3.12 1.33 0.00 0.04 0.00 0.00 34.50 32.60 2a3j s PRO 42 CO 0.09 -0.04 1.76 -0.22 0.04 0.00 0.00 177.00 178.64 2a3j h LYS 43 N 3.57 0.19 -0.16 4.56 3.64 -1.96 0.36 116.57 126.78 2a3j h LYS 43 Ca -0.48 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.94 2a3j h LYS 43 Cb 1.22 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.93 2a3j h LYS 43 CO 0.66 0.13 -0.34 0.93 -2.27 0.00 0.00 179.45 178.55 2a3j h GLU 44 N 0.20 -0.39 0.15 1.90 5.08 -1.99 0.41 114.58 119.94 2a3j h GLU 44 Ca 0.62 0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.73 2a3j h GLU 44 Cb 1.98 0.09 0.01 0.00 0.50 0.00 0.00 28.75 31.33 2a3j h GLU 44 CO -0.20 -0.26 -1.34 0.87 -1.00 0.00 0.00 179.01 177.08 2a3j h LYS 45 N -0.40 0.31 -0.44 2.33 1.57 -1.48 -3.13 116.57 115.33 2a3j h LYS 45 Ca 0.10 -0.54 0.08 0.00 -1.87 0.00 0.00 60.65 58.43 2a3j h LYS 45 Cb 0.56 0.20 -0.07 0.00 0.08 0.00 0.00 32.23 33.00 2a3j h LYS 45 CO -0.38 1.26 -0.02 1.25 -0.57 0.00 0.00 179.45 180.98 2a3j h LEU 46 N -0.20 -0.23 -0.09 2.94 5.85 -0.28 0.18 115.31 123.48 2a3j h LEU 46 Ca -0.27 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2a3j h LEU 46 Cb 1.83 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 43.06 2a3j h LEU 46 CO 0.12 -0.07 0.03 -0.61 -0.34 0.00 0.00 178.44 177.57 2a3j h GLN 47 N 0.09 0.14 -0.33 1.25 4.15 -0.33 -1.73 115.11 118.35 2a3j h GLN 47 Ca 0.22 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.67 2a3j h GLN 47 Cb 0.32 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 2a3j h GLN 47 CO -0.38 0.28 0.23 0.00 -1.93 0.00 0.00 178.83 177.02 2a3j h ALA 48 N 0.85 2.07 0.03 3.38 0.00 -1.35 -2.27 119.26 121.98 2a3j h ALA 48 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2a3j h ALA 48 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2a3j h ALA 48 CO -0.00 -0.14 -0.01 -0.07 0.00 0.00 0.00 179.25 179.02 2a3j h LEU 49 N 0.19 -0.03 -2.04 0.00 -0.00 -0.30 -2.81 115.31 110.31 2a3j h LEU 49 Ca 0.15 -0.56 0.12 0.00 -0.00 0.00 0.00 57.88 57.59 2a3j h LEU 49 Cb 0.35 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 2a3j h LEU 49 CO -0.02 0.56 0.34 -0.07 -0.00 0.00 0.00 178.44 179.25 2a3j h LEU 50 N -0.65 0.00 -0.04 1.67 3.38 -0.88 -1.42 115.31 117.38 2a3j h LEU 50 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2a3j h LEU 50 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2a3j h LEU 50 CO 0.01 0.00 -0.16 0.22 0.09 0.00 0.00 178.44 178.59 2a3j h TYR 51 N 0.00 0.23 -0.23 1.13 5.03 -1.37 -2.18 116.97 119.59 2a3j h TYR 51 Ca 0.20 -0.10 0.06 0.00 2.58 0.00 0.00 58.73 61.47 2a3j h TYR 51 Cb 0.88 -0.04 -0.07 0.00 1.55 0.00 0.00 36.73 39.06 2a3j h TYR 51 CO 0.00 0.80 -0.27 0.00 -1.32 0.00 0.00 178.16 177.37 2a3j h ALA 52 N 0.38 -0.20 -0.53 1.82 0.00 -1.00 0.21 119.26 119.94 2a3j h ALA 52 Ca -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2a3j h ALA 52 Cb 0.82 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2a3j h ALA 52 CO 0.03 -0.71 0.25 -0.07 0.00 0.00 0.00 179.25 178.75 2a3j h LEU 53 N -0.29 0.71 0.19 0.00 3.38 -1.58 -2.30 115.31 115.42 2a3j h LEU 53 Ca 0.13 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2a3j h LEU 53 Cb 0.49 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2a3j h LEU 53 CO -0.39 0.65 -0.23 0.00 0.09 0.00 0.00 178.44 178.57 2a3j h ALA 54 N 1.09 -0.43 -0.36 1.53 0.00 -0.68 -1.81 119.26 118.59 2a3j h ALA 54 Ca 0.18 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.12 2a3j h ALA 54 Cb 0.14 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2a3j h ALA 54 CO -0.02 -0.78 0.25 1.03 0.00 0.00 0.00 179.25 179.74 2a3j h SER 55 N -0.46 0.08 -0.02 0.00 0.87 -0.53 0.99 113.55 114.48 2a3j h SER 55 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2a3j h SER 55 Cb 0.45 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2a3j h SER 55 CO -0.08 0.05 0.05 -1.28 -0.53 0.00 0.00 176.83 175.04 2a3j h SER 56 N 0.09 0.00 0.00 6.23 0.87 -0.73 -3.35 113.55 116.66 2a3j h SER 56 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2a3j h SER 56 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2a3j h SER 56 CO -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.28 2a3j n GLN 57 N -3.30 0.00 -4.61 2.24 1.13 0.21 -5.11 117.38 107.94 2a3j n GLN 57 Ca -0.03 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.73 2a3j n GLN 57 Cb 0.12 -0.08 -0.08 0.00 0.11 0.00 0.00 30.24 30.31 2a3j n GLN 57 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2a3j s GLY 58 N -2.32 2.80 0.30 1.08 0.00 -0.41 -5.00 107.32 103.77 2a3j s GLY 58 Ca 0.00 -1.05 -0.26 0.00 0.00 0.00 0.00 44.72 43.42 2a3j s GLY 58 CO 0.00 -2.13 0.91 -0.35 0.00 0.00 0.00 173.10 171.53 2a3j s ASP 59 N -3.87 7.34 -0.13 1.64 2.15 -1.26 -3.41 116.67 119.13 2a3j s ASP 59 Ca 0.18 1.80 -0.04 0.00 0.43 0.00 0.00 52.55 54.92 2a3j s ASP 59 Cb 0.04 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 40.06 2a3j s ASP 59 CO 0.10 -0.03 0.00 -0.63 -0.17 0.00 0.00 175.17 174.44 2a3j s ILE 60 N -1.55 4.30 -0.09 4.11 1.09 -1.26 -1.65 121.20 126.14 2a3j s ILE 60 Ca 0.48 -0.23 0.19 0.00 -1.10 0.00 0.00 60.65 59.99 2a3j s ILE 60 Cb -0.19 -2.86 -0.28 0.00 -1.06 0.00 0.00 42.46 38.06 2a3j s ILE 60 CO 0.24 0.54 0.29 0.18 -0.10 0.00 0.00 174.94 176.09 2a3j n LEU 61 N 2.90 0.00 -3.34 2.97 4.77 -0.50 -4.91 117.00 118.89 2a3j n LEU 61 Ca -0.18 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.84 2a3j n LEU 61 Cb 0.53 0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.76 2a3j n LEU 61 CO 0.31 0.19 0.98 -0.62 -1.33 0.00 0.00 177.39 176.92 2a3j s ASP 62 N -4.73 -0.02 -0.38 -1.43 2.15 -1.21 -5.05 116.67 106.00 2a3j s ASP 62 Ca -0.08 0.03 -0.12 0.00 0.43 0.00 0.00 52.55 52.81 2a3j s ASP 62 Cb 0.10 1.02 0.02 0.00 -0.30 0.00 0.00 42.92 43.76 2a3j s ASP 62 CO 0.82 -0.00 0.22 -0.63 -0.17 0.00 0.00 175.17 175.41 2a3j s ILE 63 N 1.64 4.75 0.02 4.11 1.01 -1.26 -1.22 121.20 130.24 2a3j s ILE 63 Ca -0.02 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.78 2a3j s ILE 63 Cb -0.01 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 2a3j s ILE 63 CO -0.13 -0.22 0.31 -0.69 0.00 0.00 0.00 174.94 174.20 2a3j s VAL 64 N 1.59 5.24 -0.01 2.92 1.01 0.12 -4.99 120.40 126.27 2a3j s VAL 64 Ca 0.03 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.31 2a3j s VAL 64 Cb -0.19 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.62 2a3j s VAL 64 CO 0.07 0.37 0.01 -0.69 0.00 0.00 0.00 175.10 174.87 2a3j s VAL 65 N -1.30 0.00 0.00 2.92 1.01 -1.26 -0.18 120.40 121.60 2a3j s VAL 65 Ca 0.28 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.36 2a3j s VAL 65 Cb -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.16 2a3j s VAL 65 CO 0.16 0.06 0.00 -0.67 0.00 0.00 0.00 175.10 174.65 2a3j n ASP 66 N 3.70 -0.73 -1.24 3.32 2.03 -0.94 -4.87 116.55 117.82 2a3j n ASP 66 Ca -0.21 -0.04 0.05 0.00 0.52 0.00 0.00 54.79 55.11 2a3j n ASP 66 Cb 0.54 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 41.19 2a3j n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a3j n LEU 67 N 0.00 3.60 -3.61 -2.67 -0.00 -1.26 -4.93 117.00 108.12 2a3j n LEU 67 Ca 0.00 -1.82 -0.28 0.00 -0.00 0.00 0.00 56.01 53.92 2a3j n LEU 67 Cb 0.00 -0.54 0.04 0.00 -0.00 0.00 0.00 43.42 42.92 2a3j n LEU 67 CO 0.00 0.52 -0.04 -1.20 -0.00 0.00 0.00 177.39 176.67 2a3j n SER 68 N 0.52 -5.60 -4.78 1.45 7.64 -1.26 -4.93 113.62 106.66 2a3j n SER 68 Ca 0.17 -0.92 -0.36 0.00 1.01 0.00 0.00 58.87 58.77 2a3j n SER 68 Cb 0.73 -3.53 -0.05 0.00 -1.01 0.00 0.00 64.21 60.36 2a3j n SER 68 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2a3j s ASP 69 N -3.38 6.86 0.00 6.43 1.11 -1.26 -4.70 116.67 121.73 2a3j s ASP 69 Ca 0.40 2.00 0.19 0.00 0.18 0.00 0.00 52.55 55.33 2a3j s ASP 69 Cb -0.14 -2.58 0.90 0.00 1.07 0.00 0.00 42.92 42.17 2a3j s ASP 69 CO 0.85 -0.41 1.61 -0.67 1.18 0.00 0.00 175.17 177.73 2a3j n ASP 70 N 0.03 0.00 -0.00 0.27 2.03 -1.26 -1.36 116.55 116.25 2a3j n ASP 70 Ca 0.04 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.62 2a3j n ASP 70 Cb 0.50 -0.40 -0.00 0.00 -0.72 0.00 0.00 41.12 40.50 2a3j n ASP 70 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2a3j n ASN 71 N -1.40 0.07 0.00 1.67 2.85 -1.26 -4.91 115.26 112.29 2a3j n ASN 71 Ca 0.07 -0.54 0.00 0.00 -0.11 0.00 0.00 54.58 54.00 2a3j n ASN 71 Cb 0.19 0.96 0.00 0.00 1.24 0.00 0.00 39.78 42.17 2a3j n ASN 71 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2a3j n SER 72 N -0.97 0.00 -2.93 1.20 7.64 -1.08 -5.10 113.62 112.38 2a3j n SER 72 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 2a3j n SER 72 Cb 0.01 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2a3j n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a3j n GLY 73 N 3.54 -2.39 3.54 0.23 0.00 -0.46 -4.64 105.19 105.02 2a3j n GLY 73 Ca 0.00 0.35 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 2a3j n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a3j s LYS 74 N -1.46 1.84 0.21 1.61 -2.85 -1.26 -3.16 119.74 114.67 2a3j s LYS 74 Ca 0.02 -1.59 -0.22 0.00 -1.00 0.00 0.00 55.97 53.18 2a3j s LYS 74 Cb -0.00 0.47 0.07 0.00 -2.06 0.00 0.00 37.83 36.30 2a3j s LYS 74 CO 0.49 -0.77 0.96 0.00 0.10 0.00 0.00 175.35 176.12 2a3j s ALA 75 N -3.24 -1.46 -0.09 0.59 0.00 -0.56 -2.22 121.76 114.79 2a3j s ALA 75 Ca 0.27 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 51.93 2a3j s ALA 75 Cb -0.01 0.71 0.05 0.00 0.00 0.00 0.00 23.12 23.87 2a3j s ALA 75 CO 0.16 -1.04 0.20 0.71 0.00 0.00 0.00 175.76 175.79 2a3j s TYR 76 N -2.62 -0.27 -0.33 0.00 1.51 0.75 -0.57 117.35 115.83 2a3j s TYR 76 Ca 0.17 0.69 -0.07 0.00 -1.01 0.00 0.00 57.07 56.85 2a3j s TYR 76 Cb -0.03 -0.04 0.03 0.00 -0.11 0.00 0.00 41.96 41.80 2a3j s TYR 76 CO 0.05 -0.23 0.11 0.42 -1.11 0.00 0.00 175.55 174.79 2a3j s ILE 77 N 1.50 3.94 -0.14 2.71 1.01 0.15 0.15 121.20 130.51 2a3j s ILE 77 Ca -0.07 -0.94 -0.24 0.00 0.00 0.00 0.00 60.65 59.41 2a3j s ILE 77 Cb -0.11 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 2a3j s ILE 77 CO -0.07 -0.09 0.76 -0.69 0.00 0.00 0.00 174.94 174.85 2a3j s VAL 78 N 1.46 4.95 0.54 2.92 1.01 -0.36 -1.54 120.40 129.38 2a3j s VAL 78 Ca 0.00 1.51 0.06 0.00 0.00 0.00 0.00 61.98 63.56 2a3j s VAL 78 Cb -0.19 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.15 2a3j s VAL 78 CO 0.03 0.11 0.43 -0.36 0.00 0.00 0.00 175.10 175.31 2a3j s PHE 79 N 1.68 1.68 0.15 5.22 0.08 0.59 -1.41 117.98 125.96 2a3j s PHE 79 Ca 0.37 -0.81 -0.14 0.00 0.12 0.00 0.00 56.93 56.47 2a3j s PHE 79 Cb -0.17 -1.95 0.03 0.00 -0.57 0.00 0.00 43.02 40.36 2a3j s PHE 79 CO 0.14 -0.49 1.67 0.00 -0.10 0.00 0.00 175.22 176.44 2a3j h ALA 80 N 0.74 0.64 -2.97 5.36 0.00 -1.55 -3.42 119.26 118.07 2a3j h ALA 80 Ca -0.37 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.38 2a3j h ALA 80 Cb 1.30 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 2a3j h ALA 80 CO 0.56 0.29 0.23 0.99 0.00 0.00 0.00 179.25 181.33 2a3j s THR 81 N -5.41 0.00 0.52 0.00 2.01 -1.26 -4.91 115.64 106.59 2a3j s THR 81 Ca -0.13 -0.42 0.28 0.00 0.31 0.00 0.00 61.69 61.74 2a3j s THR 81 Cb 0.11 -1.42 0.45 0.00 0.01 0.00 0.00 72.50 71.65 2a3j s THR 81 CO 0.78 0.00 1.91 -0.61 -0.69 0.00 0.00 174.62 176.01 2a3j h GLN 82 N 2.00 0.06 -0.01 4.92 -0.00 -1.86 -1.02 115.11 119.19 2a3j h GLN 82 Ca -0.27 -0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.40 2a3j h GLN 82 Cb 1.28 -0.01 -0.04 0.00 0.00 0.00 0.00 27.48 28.71 2a3j h GLN 82 CO 0.32 0.04 -0.20 0.93 0.00 0.00 0.00 178.83 179.92 2a3j h GLU 83 N 0.06 -0.30 -0.10 1.69 4.39 -1.95 0.18 114.58 118.54 2a3j h GLU 83 Ca 0.40 0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.99 2a3j h GLU 83 Cb 1.49 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.21 2a3j h GLU 83 CO -0.03 -0.20 -0.41 0.77 -1.16 0.00 0.00 179.01 177.98 2a3j h SER 84 N -0.31 0.54 -0.09 1.42 0.02 -1.65 -2.87 113.55 110.60 2a3j h SER 84 Ca 0.06 -0.63 0.04 0.00 -0.84 0.00 0.00 61.79 60.42 2a3j h SER 84 Cb 0.39 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 2a3j h SER 84 CO -0.19 1.08 -0.26 0.00 -1.14 0.00 0.00 176.83 176.32 2a3j h ALA 85 N 0.47 -0.29 -0.88 3.77 0.00 -1.10 -0.93 119.26 120.31 2a3j h ALA 85 Ca -0.02 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2a3j h ALA 85 Cb 1.05 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 2a3j h ALA 85 CO 0.09 -0.74 0.57 0.37 0.00 0.00 0.00 179.25 179.54 2a3j h GLN 86 N -0.35 1.01 -0.20 0.00 4.15 -0.72 0.09 115.11 119.09 2a3j h GLN 86 Ca 0.09 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2a3j h GLN 86 Cb 0.48 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 2a3j h GLN 86 CO -0.29 0.67 0.13 0.00 -1.93 0.00 0.00 178.83 177.40 2a3j h ALA 87 N 1.51 0.25 -0.35 3.38 0.00 -1.05 0.43 119.26 123.44 2a3j h ALA 87 Ca 0.36 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 2a3j h ALA 87 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2a3j h ALA 87 CO -0.12 -0.27 -0.30 0.35 0.00 0.00 0.00 179.25 178.91 2a3j h PHE 88 N 0.27 0.85 -0.67 0.00 3.04 -0.68 0.26 116.94 120.00 2a3j h PHE 88 Ca 0.07 -0.22 -0.07 0.00 3.98 0.00 0.00 57.97 61.74 2a3j h PHE 88 Cb -0.03 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.26 2a3j h PHE 88 CO -0.06 0.94 0.15 0.28 -2.02 0.00 0.00 178.31 177.60 2a3j h VAL 89 N 0.63 1.26 0.00 1.41 2.07 -0.69 -1.24 116.25 119.69 2a3j h VAL 89 Ca 0.07 -0.97 -0.15 0.00 0.82 0.00 0.00 66.70 66.47 2a3j h VAL 89 Cb 0.81 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2a3j h VAL 89 CO 0.07 0.37 -0.87 1.05 0.02 0.00 0.00 177.57 178.21 2a3j h GLU 90 N 1.01 0.00 0.00 1.57 4.11 -0.81 0.25 114.58 120.71 2a3j h GLU 90 Ca 0.21 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.64 2a3j h GLU 90 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2a3j h GLU 90 CO 0.00 0.58 -0.02 0.00 0.07 0.00 0.00 179.01 179.65 2a3j h ALA 91 N 1.33 0.99 0.00 1.06 0.00 -0.27 -3.23 119.26 119.15 2a3j h ALA 91 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2a3j h ALA 91 Cb 1.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2a3j h ALA 91 CO 0.08 0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.54 2a3j n PHE 92 N -3.11 0.00 -0.32 0.00 3.01 -0.49 -4.77 117.46 111.79 2a3j n PHE 92 Ca 0.02 -0.25 0.29 0.00 1.01 0.00 0.00 57.45 58.51 2a3j n PHE 92 Cb 0.43 -0.03 0.62 0.00 -0.01 0.00 0.00 39.48 40.50 2a3j n PHE 92 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 2a3j h GLN 93 N 0.00 0.20 -2.07 -1.08 4.15 -0.52 -2.64 115.11 113.15 2a3j h GLN 93 Ca 0.00 -0.01 -0.51 0.00 0.77 0.00 0.00 58.65 58.90 2a3j h GLN 93 Cb 0.52 -0.04 -0.41 0.00 0.21 0.00 0.00 27.48 27.76 2a3j h GLN 93 CO 0.00 0.13 -1.03 0.41 -1.93 0.00 0.00 178.83 176.41 2a3j n GLY 94 N -1.60 4.20 3.13 2.39 0.00 -1.26 -4.74 105.19 107.30 2a3j n GLY 94 Ca 0.25 -2.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 2a3j n GLY 94 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a3j s TYR 95 N -2.76 1.61 -0.50 1.61 6.14 -1.00 -5.09 117.35 117.36 2a3j s TYR 95 Ca 0.43 -0.41 -0.27 0.00 0.64 0.00 0.00 57.07 57.45 2a3j s TYR 95 Cb 0.33 -1.07 -0.02 0.00 0.42 0.00 0.00 41.96 41.62 2a3j s TYR 95 CO -0.10 -0.12 1.80 -1.25 0.64 0.00 0.00 175.55 176.52 2a3j s PRO 96 N -0.08 2.95 0.06 4.97 0.04 -1.26 -4.33 135.00 137.34 2a3j s PRO 96 Ca -0.01 0.90 0.05 0.00 0.04 0.00 0.00 61.00 61.98 2a3j s PRO 96 Cb -0.10 -4.29 -0.03 0.00 0.04 0.00 0.00 34.50 30.12 2a3j s PRO 96 CO 0.01 -2.34 -0.13 0.12 0.04 0.00 0.00 177.00 174.70 2a3j s PHE 97 N 8.02 1.16 -1.22 0.56 5.36 -1.23 -4.72 117.98 125.89 2a3j s PHE 97 Ca 0.71 -0.42 0.00 0.00 -0.96 0.00 0.00 56.93 56.26 2a3j s PHE 97 Cb -0.16 -0.67 0.00 0.00 -0.34 0.00 0.00 43.02 41.86 2a3j s PHE 97 CO 0.26 0.04 0.00 1.04 -1.46 0.00 0.00 175.22 175.10 2a3j n GLN 98 N 1.53 -2.03 0.00 10.12 1.13 -1.26 -2.54 117.38 124.33 2a3j n GLN 98 Ca -0.20 0.69 0.00 0.00 -1.94 0.00 0.00 57.00 55.55 2a3j n GLN 98 Cb 0.54 -5.26 0.00 0.00 0.11 0.00 0.00 30.24 25.63 2a3j n GLN 98 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2a3j n GLY 99 N -0.77 2.89 0.00 1.08 0.00 -1.26 -4.79 105.19 102.34 2a3j n GLY 99 Ca -0.16 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2a3j n GLY 99 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2a3j n ASN 100 N 0.00 0.00 -4.57 1.61 4.05 -1.05 -5.00 115.26 110.29 2a3j n ASN 100 Ca 0.00 0.00 -0.41 0.00 0.45 0.00 0.00 54.58 54.62 2a3j n ASN 100 Cb 0.00 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 40.98 2a3j n ASN 100 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2a3j s PRO 101 N 0.00 2.99 -0.11 1.20 0.04 -1.26 -3.54 135.00 134.32 2a3j s PRO 101 Ca 0.00 0.94 -0.00 0.00 0.04 0.00 0.00 61.00 61.98 2a3j s PRO 101 Cb 0.00 -4.28 0.02 0.00 0.04 0.00 0.00 34.50 30.29 2a3j s PRO 101 CO 0.00 -2.28 -0.08 -1.17 0.04 0.00 0.00 177.00 173.51 2a3j s LEU 102 N 7.85 1.20 -0.07 -3.56 2.96 -1.26 -4.77 118.68 121.02 2a3j s LEU 102 Ca 0.71 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 2a3j s LEU 102 Cb -0.16 -0.85 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 2a3j s LEU 102 CO 0.27 -0.12 -0.17 0.54 -1.32 0.00 0.00 176.35 175.55 2a3j s VAL 103 N 1.70 2.79 -0.05 1.68 0.11 -1.26 -4.68 120.40 120.68 2a3j s VAL 103 Ca 0.05 -0.80 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 2a3j s VAL 103 Cb -0.13 -2.10 0.02 0.00 -1.53 0.00 0.00 36.38 32.65 2a3j s VAL 103 CO -0.08 0.57 -0.02 0.27 -3.33 0.00 0.00 175.10 172.51 2a3j s ILE 104 N -0.28 0.41 0.30 7.04 -0.00 -1.26 -3.59 121.20 123.82 2a3j s ILE 104 Ca 0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 60.65 60.65 2a3j s ILE 104 Cb -0.13 -0.50 -0.01 0.00 -0.00 0.00 0.00 42.46 41.82 2a3j s ILE 104 CO 0.03 0.22 0.36 0.42 -0.00 0.00 0.00 174.94 175.98 2a3j s THR 105 N 1.34 0.00 0.55 8.37 -4.23 -1.12 -4.91 115.64 115.64 2a3j s THR 105 Ca -0.05 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 58.74 2a3j s THR 105 Cb -0.13 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.22 2a3j s THR 105 CO -0.02 0.00 0.78 -0.36 -0.54 0.00 0.00 174.62 174.48 2a3j s PHE 106 N -3.51 2.88 0.00 3.99 0.40 -1.26 -0.34 117.98 120.13 2a3j s PHE 106 Ca 0.33 0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.68 2a3j s PHE 106 Cb 0.02 -2.76 0.00 0.00 0.51 0.00 0.00 43.02 40.79 2a3j s PHE 106 CO 0.18 -0.88 0.00 0.45 0.70 0.00 0.00 175.22 175.67 2a3j n SER 107 N -2.36 1.84 -4.76 1.36 2.88 -1.18 -4.33 113.62 107.07 2a3j n SER 107 Ca 0.08 -1.00 -0.30 0.00 -1.33 0.00 0.00 58.87 56.31 2a3j n SER 107 Cb 0.60 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.99 2a3j n SER 107 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2a3j s GLU 108 N -1.99 2.84 -0.41 -1.46 2.12 -1.26 -4.89 118.70 113.66 2a3j s GLU 108 Ca 0.00 -0.70 0.07 0.00 0.36 0.00 0.00 54.97 54.70 2a3j s GLU 108 Cb 0.00 -2.71 0.24 0.00 0.26 0.00 0.00 34.13 31.92 2a3j s GLU 108 CO 0.00 0.56 0.50 0.25 -0.54 0.00 0.00 175.26 176.03 2a3j n THR 109 N 0.49 -0.64 -0.64 -1.70 -2.24 -1.26 -5.05 114.28 103.24 2a3j n THR 109 Ca -0.09 -3.97 -0.08 0.00 -2.27 0.00 0.00 64.05 57.64 2a3j n THR 109 Cb 0.52 -1.92 0.07 0.00 -2.10 0.00 0.00 70.33 66.89 2a3j n THR 109 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2a3j n PRO 110 N 1.62 -1.58 -1.03 -0.78 -0.04 -1.26 -5.00 135.00 126.92 2a3j n PRO 110 Ca 0.23 -0.46 0.03 0.00 -0.04 0.00 0.00 63.50 63.26 2a3j n PRO 110 Cb 0.52 -0.43 0.04 0.00 -0.04 0.00 0.00 33.50 33.58 2a3j n PRO 110 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2a3j n GLN 111 N -2.39 0.21 -0.00 0.54 3.00 -1.26 -4.81 117.38 112.67 2a3j n GLN 111 Ca 0.04 -1.84 -0.06 0.00 -0.01 0.00 0.00 57.00 55.13 2a3j n GLN 111 Cb 0.15 -0.38 -0.12 0.00 0.00 0.00 0.00 30.24 29.89 2a3j n GLN 111 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2a3j h SER 112 N 0.64 0.00 0.13 1.08 0.87 -2.01 -3.34 113.55 110.92 2a3j h SER 112 Ca -0.13 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 2a3j h SER 112 Cb 1.62 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.57 2a3j h SER 112 CO 0.05 0.90 -0.08 0.06 -0.53 0.00 0.00 176.83 177.23 2a3j h GLN 113 N 0.00 0.00 -0.70 2.24 3.07 -2.02 -1.22 115.11 116.48 2a3j h GLN 113 Ca -0.23 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.30 2a3j h GLN 113 Cb 1.89 0.00 -0.12 0.00 0.08 0.00 0.00 27.48 29.33 2a3j h GLN 113 CO 0.07 0.08 0.24 1.33 0.09 0.00 0.00 178.83 180.65 2a3j n VAL 114 N -4.13 2.89 -0.04 1.86 0.24 -1.25 -4.50 118.33 113.39 2a3j n VAL 114 Ca -0.03 -1.72 -0.13 0.00 -2.04 0.00 0.00 64.34 60.42 2a3j n VAL 114 Cb 0.17 -0.35 -0.11 0.00 -1.47 0.00 0.00 33.84 32.07 2a3j n VAL 114 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2a3j h ALA 115 N 2.53 -0.01 -0.14 2.33 0.00 -1.36 -3.33 119.26 119.28 2a3j h ALA 115 Ca 0.25 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 2a3j h ALA 115 Cb 2.26 0.00 0.01 0.00 0.00 0.00 0.00 17.79 20.06 2a3j h ALA 115 CO 0.70 -0.11 -0.75 1.49 0.00 0.00 0.00 179.25 180.58 2a3j h GLU 116 N -0.81 0.68 0.00 0.00 4.81 -1.79 -3.52 114.58 113.95 2a3j h GLU 116 Ca -0.00 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 2a3j h GLU 116 Cb 0.78 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2a3j h GLU 116 CO 0.00 1.17 0.00 -3.47 -0.73 0.00 0.00 179.01 175.98