#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 0.21 -2.82 0.04 -1.26 -4.89 135.00 129.85 2a3j s PRO 23 Ca 0.00 1.45 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 2a3j s PRO 23 Cb 0.00 -4.10 0.18 0.00 0.04 0.00 0.00 34.50 30.61 2a3j s PRO 23 CO 0.00 -1.57 1.57 -1.00 0.04 0.00 0.00 177.00 176.04 2a3j h PRO 24 N 11.63 0.60 -4.99 0.56 0.13 -2.10 -3.49 132.00 134.33 2a3j h PRO 24 Ca -0.33 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2a3j h PRO 24 Cb 1.15 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 2a3j h PRO 24 CO 1.03 0.91 -1.21 0.72 -0.23 0.00 0.00 178.00 179.22 2a3j n HIS 25 N -4.02 -4.08 -3.55 1.56 8.25 -1.26 -4.97 115.22 107.15 2a3j n HIS 25 Ca -0.02 2.06 -0.30 0.00 -0.26 0.00 0.00 57.72 59.20 2a3j n HIS 25 Cb 0.53 -3.90 -0.08 0.00 1.12 0.00 0.00 29.99 27.66 2a3j n HIS 25 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2a3j n THR 26 N 1.08 2.55 -1.31 1.59 -2.24 -1.26 -5.04 114.28 109.65 2a3j n THR 26 Ca -0.17 -5.18 0.06 0.00 -2.27 0.00 0.00 64.05 56.48 2a3j n THR 26 Cb 0.27 -2.16 -0.03 0.00 -2.10 0.00 0.00 70.33 66.30 2a3j n THR 26 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a3j n GLU 27 N 1.41 -3.29 -1.65 -0.78 -0.58 -1.26 -4.90 120.64 109.59 2a3j n GLU 27 Ca 0.26 2.61 -0.33 0.00 -0.42 0.00 0.00 57.16 59.28 2a3j n GLU 27 Cb 0.38 -3.41 0.06 0.00 -0.57 0.00 0.00 31.44 27.89 2a3j n GLU 27 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2a3j s PRO 28 N -4.82 2.68 -0.29 3.49 0.04 -1.26 -5.06 135.00 129.78 2a3j s PRO 28 Ca 0.00 1.34 0.05 0.00 0.04 0.00 0.00 61.00 62.43 2a3j s PRO 28 Cb 0.00 -1.94 0.20 0.00 0.04 0.00 0.00 34.50 32.80 2a3j s PRO 28 CO 0.00 -1.34 0.62 -1.12 0.04 0.00 0.00 177.00 175.20 2a3j s SER 29 N -2.76 -1.56 -0.08 6.66 0.01 -1.26 -4.65 113.70 110.06 2a3j s SER 29 Ca 0.66 0.22 0.12 0.00 1.31 0.00 0.00 55.95 58.25 2a3j s SER 29 Cb -0.20 2.00 0.47 0.00 0.21 0.00 0.00 66.02 68.50 2a3j s SER 29 CO 0.45 -0.29 1.32 0.00 0.41 0.00 0.00 173.24 175.13 2a3j n GLN 30 N 5.40 2.81 -4.01 12.44 6.02 -1.26 -2.90 117.38 135.87 2a3j n GLN 30 Ca 0.05 -1.85 -0.11 0.00 -0.01 0.00 0.00 57.00 55.08 2a3j n GLN 30 Cb 0.54 -1.69 -0.11 0.00 1.02 0.00 0.00 30.24 30.00 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 -1.75 0.29 -0.00 5.09 -7.23 -1.26 -0.51 120.40 115.02 2a3j s VAL 31 Ca 0.33 -0.92 0.06 0.00 -1.81 0.00 0.00 61.98 59.63 2a3j s VAL 31 Cb 0.22 -0.39 -0.02 0.00 0.56 0.00 0.00 36.38 36.75 2a3j s VAL 31 CO 0.16 -0.42 -0.17 0.68 -0.31 0.00 0.00 175.10 175.04 2a3j s VAL 32 N -1.33 1.38 -0.24 1.32 -7.23 -0.55 -2.39 120.40 111.35 2a3j s VAL 32 Ca -0.12 -0.81 -0.06 0.00 -1.81 0.00 0.00 61.98 59.17 2a3j s VAL 32 Cb -0.09 -1.16 -0.02 0.00 0.56 0.00 0.00 36.38 35.66 2a3j s VAL 32 CO -0.00 0.34 0.04 -0.22 -0.31 0.00 0.00 175.10 174.94 2a3j s LEU 33 N -0.55 3.31 0.06 1.32 2.96 0.86 -0.72 118.68 125.92 2a3j s LEU 33 Ca 0.06 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 2a3j s LEU 33 Cb -0.07 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 2a3j s LEU 33 CO -0.00 -0.03 0.00 0.27 -1.32 0.00 0.00 176.35 175.27 2a3j s ILE 34 N 1.56 4.06 0.18 6.68 -0.00 0.13 -2.99 121.20 130.83 2a3j s ILE 34 Ca 0.06 -0.87 0.03 0.00 -0.00 0.00 0.00 60.65 59.87 2a3j s ILE 34 Cb -0.15 -2.90 -0.01 0.00 -0.00 0.00 0.00 42.46 39.40 2a3j s ILE 34 CO 0.02 0.20 0.19 0.35 -0.00 0.00 0.00 174.94 175.69 2a3j n THR 35 N 0.81 0.00 -3.59 8.37 -2.24 -1.24 -1.46 114.28 114.94 2a3j n THR 35 Ca -0.12 -1.20 -0.24 0.00 -2.27 0.00 0.00 64.05 60.22 2a3j n THR 35 Cb 0.52 0.64 0.08 0.00 -2.10 0.00 0.00 70.33 69.46 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 -2.15 -6.34 -4.62 3.42 5.15 -1.20 -4.04 115.26 105.47 2a3j n ASN 36 Ca 0.03 -0.54 -0.34 0.00 -0.60 0.00 0.00 54.58 53.13 2a3j n ASN 36 Cb 0.32 -4.99 -0.10 0.00 -0.53 0.00 0.00 39.78 34.48 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 -3.31 4.25 -0.22 -1.44 -4.36 -1.12 -4.77 121.20 110.22 2a3j s ILE 37 Ca 0.58 -0.25 -0.29 0.00 -0.26 0.00 0.00 60.65 60.43 2a3j s ILE 37 Cb -0.26 -2.82 -0.03 0.00 1.25 0.00 0.00 42.46 40.60 2a3j s ILE 37 CO 0.72 0.55 1.74 0.21 0.24 0.00 0.00 174.94 178.41 2a3j s ASN 38 N -0.37 6.19 0.00 4.36 3.04 -1.26 -4.58 114.94 122.32 2a3j s ASN 38 Ca 0.07 1.67 0.15 0.00 0.04 0.00 0.00 52.86 54.78 2a3j s ASN 38 Cb -0.12 -2.53 0.68 0.00 -1.54 0.00 0.00 41.25 37.74 2a3j s ASN 38 CO 0.02 -1.41 1.43 -0.81 -3.04 0.00 0.00 177.10 173.29 2a3j n PRO 39 N 7.93 0.11 -0.08 0.43 -0.04 -1.26 -3.26 135.00 138.82 2a3j n PRO 39 Ca 0.21 0.20 0.25 0.00 -0.04 0.00 0.00 63.50 64.12 2a3j n PRO 39 Cb 0.45 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.13 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 -5.59 0.54 5.08 -1.90 -3.39 114.58 109.32 2a3j h GLU 40 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 2a3j h GLU 40 Cb 0.19 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.35 2a3j h GLU 40 CO 0.00 0.00 -0.37 0.54 -1.00 0.00 0.00 179.01 178.18 2a3j s VAL 41 N -4.86 5.32 0.48 3.13 0.11 -1.20 -5.08 120.40 118.30 2a3j s VAL 41 Ca -0.05 0.46 -0.22 0.00 -2.93 0.00 0.00 61.98 59.24 2a3j s VAL 41 Cb 0.19 -3.56 -0.07 0.00 -1.53 0.00 0.00 36.38 31.41 2a3j s VAL 41 CO 0.70 0.49 1.16 -2.16 -3.33 0.00 0.00 175.10 171.95 2a3j s PRO 42 N -0.20 3.66 0.43 1.54 0.04 -1.26 -4.68 135.00 134.52 2a3j s PRO 42 Ca 0.16 1.74 0.22 0.00 0.04 0.00 0.00 61.00 63.16 2a3j s PRO 42 Cb -0.13 -2.31 1.20 0.00 0.04 0.00 0.00 34.50 33.30 2a3j s PRO 42 CO 0.05 -0.63 1.77 -0.22 0.04 0.00 0.00 177.00 178.02 2a3j h LYS 43 N 1.84 0.30 -0.26 4.56 3.64 -1.93 0.34 116.57 125.07 2a3j h LYS 43 Ca -0.49 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 58.93 2a3j h LYS 43 Cb 1.25 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 2a3j h LYS 43 CO 0.59 0.20 -0.14 1.49 -2.27 0.00 0.00 179.45 179.32 2a3j h GLU 44 N 0.31 -0.11 0.06 1.90 4.81 -1.99 0.32 114.58 119.89 2a3j h GLU 44 Ca 0.59 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.71 2a3j h GLU 44 Cb 1.67 0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.08 2a3j h GLU 44 CO -0.25 -0.07 -0.58 0.87 -0.73 0.00 0.00 179.01 178.25 2a3j h LYS 45 N -0.11 0.13 0.15 1.92 6.56 -1.36 -3.20 116.57 120.66 2a3j h LYS 45 Ca 0.14 -0.23 0.01 0.00 -1.06 0.00 0.00 60.65 59.51 2a3j h LYS 45 Cb 0.32 0.09 -0.05 0.00 -0.57 0.00 0.00 32.23 32.02 2a3j h LYS 45 CO -0.33 1.11 -0.49 1.25 -2.06 0.00 0.00 179.45 178.93 2a3j h LEU 46 N -0.70 -1.46 -0.66 2.94 6.46 -0.36 -2.04 115.31 119.50 2a3j h LEU 46 Ca -0.12 0.15 0.13 0.00 -0.12 0.00 0.00 57.88 57.93 2a3j h LEU 46 Cb 1.35 0.54 -0.10 0.00 -0.73 0.00 0.00 40.66 41.71 2a3j h LEU 46 CO 0.04 -0.55 0.12 -0.61 -0.62 0.00 0.00 178.44 176.83 2a3j h GLN 47 N -0.75 0.23 -1.00 1.25 4.15 -0.52 0.99 115.11 119.46 2a3j h GLN 47 Ca -0.00 -0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.61 2a3j h GLN 47 Cb 0.75 -0.05 -0.10 0.00 0.21 0.00 0.00 27.48 28.28 2a3j h GLN 47 CO -0.26 0.15 0.61 0.00 -1.93 0.00 0.00 178.83 177.41 2a3j h ALA 48 N 1.55 1.78 -0.06 3.38 0.00 -1.38 -0.59 119.26 123.94 2a3j h ALA 48 Ca 0.36 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.27 2a3j h ALA 48 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2a3j h ALA 48 CO -0.47 -0.15 -0.25 -0.07 0.00 0.00 0.00 179.25 178.31 2a3j h LEU 49 N 0.69 0.32 -1.64 0.00 -0.00 -0.28 -2.67 115.31 111.74 2a3j h LEU 49 Ca 0.57 -0.64 0.14 0.00 -0.00 0.00 0.00 57.88 57.95 2a3j h LEU 49 Cb 0.99 -0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 41.52 2a3j h LEU 49 CO -0.36 0.91 0.47 -0.07 -0.00 0.00 0.00 178.44 179.39 2a3j h LEU 50 N -0.24 0.34 -0.03 1.67 3.38 -0.12 -1.76 115.31 118.55 2a3j h LEU 50 Ca -0.01 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2a3j h LEU 50 Cb 0.89 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2a3j h LEU 50 CO 0.05 0.19 -0.15 0.22 0.09 0.00 0.00 178.44 178.84 2a3j h TYR 51 N 0.37 0.22 -0.35 1.13 5.03 -1.14 -1.67 116.97 120.55 2a3j h TYR 51 Ca 0.34 -0.09 0.08 0.00 2.58 0.00 0.00 58.73 61.63 2a3j h TYR 51 Cb 0.80 -0.03 -0.08 0.00 1.55 0.00 0.00 36.73 38.97 2a3j h TYR 51 CO -0.00 0.78 -0.17 0.00 -1.32 0.00 0.00 178.16 177.45 2a3j h ALA 52 N 0.39 0.10 -0.42 1.82 0.00 -0.98 0.20 119.26 120.36 2a3j h ALA 52 Ca -0.01 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2a3j h ALA 52 Cb 0.80 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2a3j h ALA 52 CO 0.03 -0.55 -0.05 -0.07 0.00 0.00 0.00 179.25 178.62 2a3j h LEU 53 N -0.11 0.78 0.13 0.00 3.38 -1.48 -2.75 115.31 115.26 2a3j h LEU 53 Ca 0.18 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2a3j h LEU 53 Cb 0.38 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2a3j h LEU 53 CO -0.43 0.92 -0.22 0.00 0.09 0.00 0.00 178.44 178.81 2a3j h ALA 54 N 0.88 -0.38 -0.52 1.53 0.00 -0.52 -1.75 119.26 118.49 2a3j h ALA 54 Ca 0.11 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.09 2a3j h ALA 54 Cb 0.56 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2a3j h ALA 54 CO 0.03 -0.75 0.36 1.03 0.00 0.00 0.00 179.25 179.92 2a3j h SER 55 N -0.42 0.22 -0.10 0.00 0.87 -0.63 0.11 113.55 113.60 2a3j h SER 55 Ca 0.02 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.62 2a3j h SER 55 Cb 0.43 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2a3j h SER 55 CO -0.11 0.13 0.14 -1.28 -0.53 0.00 0.00 176.83 175.18 2a3j h SER 56 N 0.24 0.00 0.00 6.23 0.87 -1.00 -3.35 113.55 116.54 2a3j h SER 56 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2a3j h SER 56 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2a3j h SER 56 CO -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.25 2a3j n GLN 57 N -3.63 0.00 -4.58 2.24 1.13 0.24 -5.11 117.38 107.67 2a3j n GLN 57 Ca -0.00 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.79 2a3j n GLN 57 Cb 0.23 -0.12 -0.11 0.00 0.11 0.00 0.00 30.24 30.35 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 -2.29 2.37 0.40 1.08 0.00 -0.32 -4.99 107.32 103.56 2a3j s GLY 58 Ca 0.00 -2.22 -0.25 0.00 0.00 0.00 0.00 44.72 42.26 2a3j s GLY 58 CO 0.00 -2.05 1.09 0.99 0.00 0.00 0.00 173.10 173.13 2a3j s ASP 59 N -3.65 6.69 -0.14 1.64 1.01 -1.26 -3.39 116.67 117.57 2a3j s ASP 59 Ca 0.34 2.15 -0.04 0.00 0.71 0.00 0.00 52.55 55.71 2a3j s ASP 59 Cb 0.08 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2a3j s ASP 59 CO 0.17 -0.54 -0.01 -0.63 0.21 0.00 0.00 175.17 174.37 2a3j s ILE 60 N -1.56 4.20 -0.12 0.77 1.09 -1.26 -1.69 121.20 122.63 2a3j s ILE 60 Ca 0.57 -0.26 0.19 0.00 -1.10 0.00 0.00 60.65 60.05 2a3j s ILE 60 Cb -0.25 -2.82 -0.27 0.00 -1.06 0.00 0.00 42.46 38.05 2a3j s ILE 60 CO 0.32 0.53 0.33 0.18 -0.10 0.00 0.00 174.94 176.19 2a3j n LEU 61 N 3.05 0.11 0.00 2.97 4.77 -0.42 -4.92 117.00 122.56 2a3j n LEU 61 Ca -0.18 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2a3j n LEU 61 Cb 0.53 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 2a3j n LEU 61 CO 0.32 0.26 0.00 -0.67 -1.33 0.00 0.00 177.39 175.96 2a3j n ASP 62 N -2.57 0.00 -4.41 -1.43 2.03 -1.21 -5.04 116.55 103.91 2a3j n ASP 62 Ca -0.19 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.72 2a3j n ASP 62 Cb 0.88 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 41.17 2a3j n ASP 62 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2a3j s ILE 63 N 0.00 4.66 0.04 5.18 1.01 -1.26 -1.22 121.20 129.61 2a3j s ILE 63 Ca 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 2a3j s ILE 63 Cb 0.00 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 2a3j s ILE 63 CO 0.00 -0.15 0.26 -0.69 0.00 0.00 0.00 174.94 174.36 2a3j s VAL 64 N 1.59 5.32 -0.02 2.92 1.01 0.12 -4.99 120.40 126.34 2a3j s VAL 64 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2a3j s VAL 64 Cb -0.19 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.63 2a3j s VAL 64 CO 0.07 0.26 0.05 -0.69 0.00 0.00 0.00 175.10 174.79 2a3j s VAL 65 N -1.40 -0.02 0.00 2.92 1.01 -1.26 -0.25 120.40 121.40 2a3j s VAL 65 Ca 0.31 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2a3j s VAL 65 Cb -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.16 2a3j s VAL 65 CO 0.20 0.03 0.00 -0.90 0.00 0.00 0.00 175.10 174.43 2a3j n ASP 66 N 3.41 -0.88 -1.32 3.32 5.75 -1.08 -4.86 116.55 120.89 2a3j n ASP 66 Ca -0.17 -0.04 0.04 0.00 -0.01 0.00 0.00 54.79 54.61 2a3j n ASP 66 Cb 0.57 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.90 2a3j n ASP 66 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2a3j n LEU 67 N 0.00 3.79 -3.74 -2.12 -0.00 -1.26 -4.92 117.00 108.75 2a3j n LEU 67 Ca 0.00 -1.92 -0.32 0.00 -0.00 0.00 0.00 56.01 53.77 2a3j n LEU 67 Cb 0.00 -0.60 0.04 0.00 -0.00 0.00 0.00 43.42 42.85 2a3j n LEU 67 CO 0.00 0.48 -0.09 -0.24 -0.00 0.00 0.00 177.39 177.53 2a3j n SER 68 N 0.38 -4.77 -2.98 1.45 2.88 -1.26 -4.95 113.62 104.37 2a3j n SER 68 Ca 0.16 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.66 2a3j n SER 68 Cb 0.80 -3.21 0.00 0.00 -0.75 0.00 0.00 64.21 61.05 2a3j n SER 68 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2a3j n ASP 69 N -2.66 -1.91 -0.01 -3.46 -0.08 -1.26 -4.85 116.55 102.33 2a3j n ASP 69 Ca -0.11 -0.03 0.07 0.00 -1.51 0.00 0.00 54.79 53.20 2a3j n ASP 69 Cb 0.60 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.95 2a3j n ASP 69 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2a3j n ASP 70 N -2.96 1.73 0.00 1.67 9.92 -1.26 -4.27 116.55 121.38 2a3j n ASP 70 Ca 0.00 -0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 2a3j n ASP 70 Cb 0.00 1.59 0.00 0.00 -0.64 0.00 0.00 41.12 42.07 2a3j n ASP 70 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2a3j n ASN 71 N -1.94 0.10 0.00 -2.24 2.85 -1.26 -4.88 115.26 107.89 2a3j n ASN 71 Ca -0.02 -0.51 0.00 0.00 -0.11 0.00 0.00 54.58 53.94 2a3j n ASN 71 Cb 0.35 0.80 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 -0.80 0.00 -2.99 1.20 7.64 -1.26 -5.07 113.62 112.33 2a3j n SER 72 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 2a3j n SER 72 Cb 0.00 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 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 1.92 -1.93 3.66 0.23 0.00 -1.26 -4.51 105.19 103.30 2a3j n GLY 73 Ca 0.00 0.39 -0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.51 2.15 0.16 1.61 -2.85 -1.26 -2.78 119.74 115.26 2a3j s LYS 74 Ca 0.05 -1.64 -0.21 0.00 -1.00 0.00 0.00 55.97 53.16 2a3j s LYS 74 Cb -0.01 0.55 0.08 0.00 -2.06 0.00 0.00 37.83 36.38 2a3j s LYS 74 CO 0.46 -0.96 1.02 0.00 0.10 0.00 0.00 175.35 175.98 2a3j n ALA 75 N -0.57 -2.68 -3.72 0.59 0.00 -0.53 -2.65 120.51 110.94 2a3j n ALA 75 Ca -0.04 -0.98 -0.14 0.00 0.00 0.00 0.00 53.44 52.28 2a3j n ALA 75 Cb 0.61 0.52 -0.14 0.00 0.00 0.00 0.00 19.45 20.44 2a3j n ALA 75 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2a3j s TYR 76 N -2.20 -0.20 -0.31 0.00 1.51 0.65 -0.69 117.35 116.10 2a3j s TYR 76 Ca 0.23 0.58 -0.07 0.00 -1.01 0.00 0.00 57.07 56.80 2a3j s TYR 76 Cb -0.03 -0.10 0.02 0.00 -0.11 0.00 0.00 41.96 41.74 2a3j s TYR 76 CO 0.05 -0.21 0.09 0.42 -1.11 0.00 0.00 175.55 174.79 2a3j s ILE 77 N 1.50 3.88 -0.15 2.71 1.01 0.10 0.16 121.20 130.41 2a3j s ILE 77 Ca -0.06 -0.88 -0.23 0.00 0.00 0.00 0.00 60.65 59.48 2a3j s ILE 77 Cb -0.12 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 2a3j s ILE 77 CO -0.06 -0.03 0.73 -0.69 0.00 0.00 0.00 174.94 174.89 2a3j s VAL 78 N 1.46 4.97 0.56 2.92 1.01 -0.36 -1.49 120.40 129.47 2a3j s VAL 78 Ca 0.01 1.45 0.06 0.00 0.00 0.00 0.00 61.98 63.50 2a3j s VAL 78 Cb -0.18 -4.05 0.05 0.00 0.00 0.00 0.00 36.38 32.20 2a3j s VAL 78 CO 0.02 0.12 0.47 -0.36 0.00 0.00 0.00 175.10 175.36 2a3j s PHE 79 N 1.69 1.49 0.20 5.22 0.08 0.34 -1.30 117.98 125.70 2a3j s PHE 79 Ca 0.35 -0.85 -0.08 0.00 0.12 0.00 0.00 56.93 56.47 2a3j s PHE 79 Cb -0.17 -1.94 0.13 0.00 -0.57 0.00 0.00 43.02 40.47 2a3j s PHE 79 CO 0.13 -0.63 1.74 0.00 -0.10 0.00 0.00 175.22 176.37 2a3j h ALA 80 N 0.62 0.98 -2.25 5.36 0.00 -1.57 -3.41 119.26 118.99 2a3j h ALA 80 Ca -0.35 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 54.53 2a3j h ALA 80 Cb 1.30 -0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 2a3j h ALA 80 CO 0.54 0.66 0.52 0.99 0.00 0.00 0.00 179.25 181.96 2a3j s THR 81 N -5.42 0.00 0.54 0.00 2.01 -1.26 -4.93 115.64 106.57 2a3j s THR 81 Ca -0.12 -0.60 0.29 0.00 0.31 0.00 0.00 61.69 61.57 2a3j s THR 81 Cb 0.15 -1.96 0.45 0.00 0.01 0.00 0.00 72.50 71.14 2a3j s THR 81 CO 0.84 0.00 1.92 -0.61 -0.69 0.00 0.00 174.62 176.09 2a3j h GLN 82 N 2.00 0.00 -0.04 4.92 -0.00 -1.86 -0.62 115.11 119.51 2a3j h GLN 82 Ca -0.25 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.41 2a3j h GLN 82 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.70 2a3j h GLN 82 CO 0.26 0.00 -0.02 0.93 0.00 0.00 0.00 178.83 180.00 2a3j h GLU 83 N 0.00 -0.02 -0.08 1.69 4.39 -1.95 0.32 114.58 118.93 2a3j h GLU 83 Ca 0.35 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.96 2a3j h GLU 83 Cb 1.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 2a3j h GLU 83 CO -0.00 -0.01 -0.31 0.77 -1.16 0.00 0.00 179.01 178.30 2a3j h SER 84 N -0.02 0.40 0.06 1.42 0.02 -1.57 -2.85 113.55 111.02 2a3j h SER 84 Ca 0.02 -0.63 0.03 0.00 -0.84 0.00 0.00 61.79 60.36 2a3j h SER 84 Cb 0.05 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 2a3j h SER 84 CO -0.05 0.97 -0.36 0.00 -1.14 0.00 0.00 176.83 176.25 2a3j h ALA 85 N 0.44 -0.59 -0.58 3.77 0.00 -1.17 -0.72 119.26 120.42 2a3j h ALA 85 Ca -0.02 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2a3j h ALA 85 Cb 0.95 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 2a3j h ALA 85 CO 0.06 -0.90 0.39 0.37 0.00 0.00 0.00 179.25 179.17 2a3j h GLN 86 N -0.55 0.44 -0.29 0.00 -0.00 -1.03 0.23 115.11 113.91 2a3j h GLN 86 Ca 0.04 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.64 2a3j h GLN 86 Cb 0.61 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.98 2a3j h GLN 86 CO -0.25 0.29 0.08 0.00 0.00 0.00 0.00 178.83 178.95 2a3j h ALA 87 N 1.70 0.39 -0.07 3.38 0.00 -0.97 -0.61 119.26 123.08 2a3j h ALA 87 Ca 0.26 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 2a3j h ALA 87 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2a3j h ALA 87 CO -0.07 0.04 -0.81 0.35 0.00 0.00 0.00 179.25 178.75 2a3j h PHE 88 N 0.31 0.71 -0.65 0.00 3.04 -0.34 -0.46 116.94 119.56 2a3j h PHE 88 Ca 0.09 -0.34 -0.05 0.00 3.98 0.00 0.00 57.97 61.66 2a3j h PHE 88 Cb 0.27 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.65 2a3j h PHE 88 CO 0.01 1.13 0.23 0.28 -2.02 0.00 0.00 178.31 177.94 2a3j h VAL 89 N 0.33 1.24 0.00 1.41 2.07 -0.49 -1.15 116.25 119.67 2a3j h VAL 89 Ca -0.05 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.56 2a3j h VAL 89 Cb 1.42 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2a3j h VAL 89 CO 0.15 0.31 -0.63 1.05 0.02 0.00 0.00 177.57 178.47 2a3j h GLU 90 N 0.92 0.00 0.00 1.57 -0.00 -1.13 0.25 114.58 116.20 2a3j h GLU 90 Ca 0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.52 2a3j h GLU 90 Cb 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.00 2a3j h GLU 90 CO -0.01 0.42 -0.23 0.00 -0.00 0.00 0.00 179.01 179.19 2a3j h ALA 91 N 1.54 0.91 0.00 1.06 0.00 -0.78 -3.25 119.26 118.74 2a3j h ALA 91 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2a3j h ALA 91 Cb 1.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2a3j h ALA 91 CO 0.06 0.29 0.00 1.19 0.00 0.00 0.00 179.25 180.79 2a3j n PHE 92 N -3.24 0.00 -0.34 0.00 3.01 -0.46 -4.76 117.46 111.67 2a3j n PHE 92 Ca 0.02 -0.28 0.29 0.00 1.01 0.00 0.00 57.45 58.49 2a3j n PHE 92 Cb 0.53 -0.03 0.61 0.00 -0.01 0.00 0.00 39.48 40.58 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 0.21 -2.07 -1.08 5.75 -0.53 -2.81 115.11 114.58 2a3j h GLN 93 Ca 0.00 -0.01 -0.55 0.00 -0.15 0.00 0.00 58.65 57.94 2a3j h GLN 93 Cb 0.47 -0.05 -0.40 0.00 1.07 0.00 0.00 27.48 28.57 2a3j h GLN 93 CO 0.00 0.14 -1.00 0.41 -2.65 0.00 0.00 178.83 175.73 2a3j n GLY 94 N -1.59 3.73 2.90 2.39 0.00 -1.26 -4.75 105.19 106.61 2a3j n GLY 94 Ca 0.27 -1.95 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.03 0.43 -0.45 1.61 6.14 -1.06 -5.10 117.35 116.89 2a3j s TYR 95 Ca 0.39 -0.08 -0.28 0.00 0.64 0.00 0.00 57.07 57.75 2a3j s TYR 95 Cb 0.23 -0.36 -0.01 0.00 0.42 0.00 0.00 41.96 42.23 2a3j s TYR 95 CO -0.09 -0.07 1.76 -1.25 0.64 0.00 0.00 175.55 176.54 2a3j s PRO 96 N 0.36 3.11 -0.08 4.97 0.04 -1.25 -4.28 135.00 137.87 2a3j s PRO 96 Ca -0.04 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.08 2a3j s PRO 96 Cb -0.07 -4.24 0.01 0.00 0.04 0.00 0.00 34.50 30.23 2a3j s PRO 96 CO -0.01 -2.14 -0.18 0.12 0.04 0.00 0.00 177.00 174.84 2a3j s PHE 97 N 7.47 1.98 -1.77 0.56 5.36 -1.25 -4.69 117.98 125.64 2a3j s PHE 97 Ca 0.72 -0.77 0.00 0.00 -0.96 0.00 0.00 56.93 55.92 2a3j s PHE 97 Cb -0.17 -1.37 0.00 0.00 -0.34 0.00 0.00 43.02 41.13 2a3j s PHE 97 CO 0.29 -0.34 0.00 1.04 -1.46 0.00 0.00 175.22 174.75 2a3j n GLN 98 N 3.65 -1.58 0.00 10.12 3.00 -1.26 -3.64 117.38 127.68 2a3j n GLN 98 Ca -0.21 0.99 0.00 0.00 -0.01 0.00 0.00 57.00 57.77 2a3j n GLN 98 Cb 0.52 -5.44 0.00 0.00 0.00 0.00 0.00 30.24 25.32 2a3j n GLN 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2a3j n GLY 99 N -0.57 0.37 0.00 1.08 0.00 -1.26 -4.78 105.19 100.04 2a3j n GLY 99 Ca -0.19 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.56 1.61 5.15 -1.24 -4.93 115.26 111.29 2a3j n ASN 100 Ca 0.00 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.68 2a3j n ASN 100 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 2a3j n ASN 100 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2a3j s PRO 101 N 0.00 2.57 -0.20 1.20 0.04 -1.26 -3.88 135.00 133.48 2a3j s PRO 101 Ca 0.00 -0.05 -0.01 0.00 0.04 0.00 0.00 61.00 60.98 2a3j s PRO 101 Cb 0.00 -4.89 0.01 0.00 0.04 0.00 0.00 34.50 29.66 2a3j s PRO 101 CO 0.00 -3.21 -0.13 -1.17 0.04 0.00 0.00 177.00 172.53 2a3j s LEU 102 N 9.81 2.45 -0.10 -3.56 2.96 -1.26 -4.78 118.68 124.21 2a3j s LEU 102 Ca 0.69 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 2a3j s LEU 102 Cb -0.08 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 2a3j s LEU 102 CO 0.05 -0.01 -0.10 0.54 -1.32 0.00 0.00 176.35 175.51 2a3j s VAL 103 N 1.35 3.38 -0.04 1.68 0.11 -1.26 -4.68 120.40 120.95 2a3j s VAL 103 Ca 0.05 -0.57 -0.01 0.00 -2.93 0.00 0.00 61.98 58.52 2a3j s VAL 103 Cb -0.14 -2.40 0.03 0.00 -1.53 0.00 0.00 36.38 32.34 2a3j s VAL 103 CO -0.09 0.56 0.02 0.27 -3.33 0.00 0.00 175.10 172.53 2a3j s ILE 104 N -0.23 0.11 0.19 7.04 -0.00 -1.26 -3.66 121.20 123.39 2a3j s ILE 104 Ca 0.02 0.22 -0.06 0.00 -0.00 0.00 0.00 60.65 60.83 2a3j s ILE 104 Cb -0.13 -0.28 -0.02 0.00 -0.00 0.00 0.00 42.46 42.03 2a3j s ILE 104 CO 0.03 0.18 0.26 0.42 -0.00 0.00 0.00 174.94 175.82 2a3j s THR 105 N 1.64 0.03 0.00 8.37 -4.23 -1.16 -4.90 115.64 115.39 2a3j s THR 105 Ca -0.01 -1.66 -0.00 0.00 -1.18 0.00 0.00 61.69 58.84 2a3j s THR 105 Cb -0.13 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.54 2a3j s THR 105 CO -0.03 -0.14 0.00 0.49 -0.54 0.00 0.00 174.62 174.40 2a3j n PHE 106 N -0.26 -3.91 -3.50 3.99 3.72 -1.26 -0.10 117.46 116.14 2a3j n PHE 106 Ca -0.03 -0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.34 2a3j n PHE 106 Cb 0.64 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.17 2a3j n PHE 106 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2a3j n SER 107 N -3.00 -0.39 -4.70 4.37 2.88 -1.01 -3.65 113.62 108.11 2a3j n SER 107 Ca 0.00 -1.41 -0.32 0.00 -1.33 0.00 0.00 58.87 55.80 2a3j n SER 107 Cb 0.00 0.70 -0.08 0.00 -0.75 0.00 0.00 64.21 64.07 2a3j n SER 107 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2a3j s GLU 108 N -2.12 2.83 -0.45 -1.46 2.02 -1.26 -4.75 118.70 113.50 2a3j s GLU 108 Ca 0.06 -0.60 0.07 0.00 0.02 0.00 0.00 54.97 54.51 2a3j s GLU 108 Cb -0.01 -2.70 0.23 0.00 0.10 0.00 0.00 34.13 31.76 2a3j s GLU 108 CO 0.04 0.62 0.53 0.25 0.02 0.00 0.00 175.26 176.73 2a3j n THR 109 N 1.29 -0.12 -1.10 3.63 -2.24 -1.26 -5.01 114.28 109.47 2a3j n THR 109 Ca -0.14 -4.18 -0.30 0.00 -2.27 0.00 0.00 64.05 57.17 2a3j n THR 109 Cb 0.53 -1.95 0.23 0.00 -2.10 0.00 0.00 70.33 67.03 2a3j n THR 109 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2a3j s PRO 110 N -1.24 -0.85 -0.32 -0.78 0.04 -1.26 -5.03 135.00 125.55 2a3j s PRO 110 Ca 0.35 0.07 0.15 0.00 0.04 0.00 0.00 61.00 61.61 2a3j s PRO 110 Cb 0.14 -1.63 0.44 0.00 0.04 0.00 0.00 34.50 33.48 2a3j s PRO 110 CO -0.11 -3.49 1.40 0.94 0.04 0.00 0.00 177.00 175.78 2a3j n GLN 111 N -4.63 1.44 0.02 4.56 7.27 -1.26 -4.92 117.38 119.86 2a3j n GLN 111 Ca 0.11 -1.92 -0.02 0.00 0.07 0.00 0.00 57.00 55.24 2a3j n GLN 111 Cb 0.59 -0.19 -0.09 0.00 2.41 0.00 0.00 30.24 32.96 2a3j n GLN 111 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2a3j n SER 112 N -1.18 0.88 0.01 1.69 7.64 -1.26 -3.38 113.62 118.01 2a3j n SER 112 Ca -0.09 0.39 0.21 0.00 1.01 0.00 0.00 58.87 60.39 2a3j n SER 112 Cb 0.85 0.09 0.71 0.00 -1.01 0.00 0.00 64.21 64.85 2a3j n SER 112 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2a3j h GLN 113 N 0.00 0.00 0.01 1.43 3.07 -2.00 -1.19 115.11 116.43 2a3j h GLN 113 Ca -0.19 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.20 2a3j h GLN 113 Cb 1.68 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 29.18 2a3j h GLN 113 CO 0.05 0.00 -2.18 1.33 0.09 0.00 0.00 178.83 178.12 2a3j n VAL 114 N -4.25 1.48 -0.12 1.86 0.24 -1.26 -4.14 118.33 112.15 2a3j n VAL 114 Ca 0.10 -0.80 -0.06 0.00 -2.04 0.00 0.00 64.34 61.54 2a3j n VAL 114 Cb 0.63 -0.79 0.03 0.00 -1.47 0.00 0.00 33.84 32.23 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 0.85 0.47 -0.41 2.33 0.00 -1.26 -1.75 119.26 119.49 2a3j h ALA 115 Ca -0.47 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2a3j h ALA 115 Cb 2.14 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.92 2a3j h ALA 115 CO 0.03 -0.24 0.13 0.93 0.00 0.00 0.00 179.25 180.10 2a3j h GLU 116 N 0.31 0.59 0.00 0.00 5.08 -1.57 -3.51 114.58 115.48 2a3j h GLU 116 Ca 0.18 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2a3j h GLU 116 Cb 0.15 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2a3j h GLU 116 CO -0.18 0.52 0.00 -3.47 -1.00 0.00 0.00 179.01 174.88