#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 0.36 -2.82 0.04 -1.26 -4.98 135.00 129.90 2a3j s PRO 23 Ca 0.00 1.46 -0.27 0.00 0.04 0.00 0.00 61.00 62.22 2a3j s PRO 23 Cb 0.00 -4.10 -0.09 0.00 0.04 0.00 0.00 34.50 30.35 2a3j s PRO 23 CO 0.00 -1.57 1.21 -1.25 0.04 0.00 0.00 177.00 175.43 2a3j s PRO 24 N 5.13 4.26 -0.06 0.56 0.04 -1.26 -5.04 135.00 138.63 2a3j s PRO 24 Ca 0.74 1.98 -0.01 0.00 0.04 0.00 0.00 61.00 63.74 2a3j s PRO 24 Cb -0.22 -2.91 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 2a3j s PRO 24 CO 0.32 -0.19 -0.00 -3.38 0.04 0.00 0.00 177.00 173.79 2a3j s HIS 25 N -1.27 3.12 0.12 0.56 -3.43 -1.26 -5.01 115.29 108.12 2a3j s HIS 25 Ca 0.52 0.15 0.00 0.00 -0.80 0.00 0.00 55.06 54.93 2a3j s HIS 25 Cb -0.34 -1.75 0.00 0.00 -1.43 0.00 0.00 32.58 29.06 2a3j s HIS 25 CO 0.44 0.46 0.00 0.25 -2.00 0.00 0.00 174.74 173.89 2a3j n THR 26 N 1.89 0.75 -4.24 -5.38 -2.24 -1.26 -5.10 114.28 98.71 2a3j n THR 26 Ca -0.17 0.25 -0.27 0.00 -2.27 0.00 0.00 64.05 61.58 2a3j n THR 26 Cb 0.53 -1.31 -0.09 0.00 -2.10 0.00 0.00 70.33 67.37 2a3j n THR 26 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2a3j s GLU 27 N -2.00 2.22 0.87 -0.78 -1.05 -1.26 -5.14 118.70 111.57 2a3j s GLU 27 Ca 0.00 -1.15 -0.15 0.00 -0.15 0.00 0.00 54.97 53.52 2a3j s GLU 27 Cb 0.00 -2.27 0.22 0.00 -0.44 0.00 0.00 34.13 31.63 2a3j s GLU 27 CO 0.00 0.46 0.77 -0.35 0.95 0.00 0.00 175.26 177.09 2a3j n PRO 28 N 0.09 -2.53 -3.15 -4.83 -0.04 -1.26 -5.06 135.00 118.23 2a3j n PRO 28 Ca -0.11 -1.24 0.04 0.00 -0.04 0.00 0.00 63.50 62.16 2a3j n PRO 28 Cb 0.55 -1.16 -0.01 0.00 -0.04 0.00 0.00 33.50 32.84 2a3j n PRO 28 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2a3j s SER 29 N -3.59 -1.40 -0.18 3.54 0.01 -1.26 -4.66 113.70 106.16 2a3j s SER 29 Ca 0.50 0.81 0.10 0.00 1.31 0.00 0.00 55.95 58.67 2a3j s SER 29 Cb -0.05 2.15 0.60 0.00 0.21 0.00 0.00 66.02 68.93 2a3j s SER 29 CO 0.38 -0.26 1.42 0.00 0.41 0.00 0.00 173.24 175.19 2a3j n GLN 30 N 5.43 3.83 -4.03 12.44 6.02 -1.26 -3.18 117.38 136.63 2a3j n GLN 30 Ca -0.01 -2.31 -0.12 0.00 -0.01 0.00 0.00 57.00 54.56 2a3j n GLN 30 Cb 0.51 -2.06 -0.12 0.00 1.02 0.00 0.00 30.24 29.59 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 -2.29 0.34 0.00 5.09 -7.23 -1.26 -0.45 120.40 114.60 2a3j s VAL 31 Ca 0.40 -0.89 0.06 0.00 -1.81 0.00 0.00 61.98 59.74 2a3j s VAL 31 Cb 0.31 -0.43 -0.02 0.00 0.56 0.00 0.00 36.38 36.80 2a3j s VAL 31 CO 0.12 -0.36 -0.18 0.68 -0.31 0.00 0.00 175.10 175.04 2a3j s VAL 32 N -1.23 1.45 -0.25 1.32 -7.23 -0.55 -2.87 120.40 111.04 2a3j s VAL 32 Ca -0.11 -0.88 -0.06 0.00 -1.81 0.00 0.00 61.98 59.12 2a3j s VAL 32 Cb -0.09 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.61 2a3j s VAL 32 CO -0.00 0.32 0.03 -0.22 -0.31 0.00 0.00 175.10 174.92 2a3j s LEU 33 N -0.65 3.30 0.06 1.32 2.96 0.86 -0.69 118.68 125.83 2a3j s LEU 33 Ca 0.07 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 2a3j s LEU 33 Cb -0.07 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 2a3j s LEU 33 CO 0.00 -0.05 0.04 0.27 -1.32 0.00 0.00 176.35 175.29 2a3j s ILE 34 N 1.55 4.30 0.18 6.68 -0.00 0.13 -2.94 121.20 131.09 2a3j s ILE 34 Ca 0.06 -0.78 0.02 0.00 -0.00 0.00 0.00 60.65 59.95 2a3j s ILE 34 Cb -0.15 -3.02 -0.01 0.00 -0.00 0.00 0.00 42.46 39.28 2a3j s ILE 34 CO 0.01 0.19 0.20 0.35 -0.00 0.00 0.00 174.94 175.69 2a3j n THR 35 N 0.75 0.00 -3.46 8.37 -2.24 -1.24 -1.46 114.28 114.99 2a3j n THR 35 Ca -0.11 -1.09 -0.23 0.00 -2.27 0.00 0.00 64.05 60.35 2a3j n THR 35 Cb 0.52 0.60 0.07 0.00 -2.10 0.00 0.00 70.33 69.42 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 -2.10 -6.21 -4.69 3.42 2.85 -1.21 -4.00 115.26 103.32 2a3j n ASN 36 Ca 0.02 -0.48 -0.32 0.00 -0.11 0.00 0.00 54.58 53.69 2a3j n ASN 36 Cb 0.31 -4.86 -0.09 0.00 1.24 0.00 0.00 39.78 36.38 2a3j n ASN 36 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2a3j s ILE 37 N -3.28 4.17 -0.34 -1.44 -4.36 -1.14 -4.73 121.20 110.08 2a3j s ILE 37 Ca 0.52 -0.63 -0.29 0.00 -0.26 0.00 0.00 60.65 59.99 2a3j s ILE 37 Cb -0.23 -2.87 0.01 0.00 1.25 0.00 0.00 42.46 40.62 2a3j s ILE 37 CO 0.65 0.35 1.24 0.21 0.24 0.00 0.00 174.94 177.63 2a3j s ASN 38 N -1.64 6.70 0.00 4.36 3.84 -1.26 -4.59 114.94 122.35 2a3j s ASN 38 Ca 0.20 1.05 0.15 0.00 0.21 0.00 0.00 52.86 54.47 2a3j s ASN 38 Cb -0.12 -2.54 0.69 0.00 -0.55 0.00 0.00 41.25 38.73 2a3j s ASN 38 CO 0.11 -1.09 1.43 -0.81 -2.79 0.00 0.00 177.10 173.96 2a3j n PRO 39 N 7.35 0.12 -0.10 0.43 -0.04 -1.26 -3.27 135.00 138.23 2a3j n PRO 39 Ca 0.14 0.19 0.26 0.00 -0.04 0.00 0.00 63.50 64.05 2a3j n PRO 39 Cb 0.47 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.15 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 -5.65 0.54 5.08 -1.90 -3.39 114.58 109.26 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 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 2a3j h GLU 40 CO 0.00 0.00 -0.32 0.54 -1.00 0.00 0.00 179.01 178.23 2a3j s VAL 41 N -4.89 5.27 0.47 3.13 0.11 -1.20 -5.07 120.40 118.22 2a3j s VAL 41 Ca -0.05 0.56 -0.23 0.00 -2.93 0.00 0.00 61.98 59.34 2a3j s VAL 41 Cb 0.20 -3.61 -0.07 0.00 -1.53 0.00 0.00 36.38 31.37 2a3j s VAL 41 CO 0.71 0.48 1.16 -2.16 -3.33 0.00 0.00 175.10 171.96 2a3j s PRO 42 N -0.21 3.73 0.43 1.54 0.04 -1.26 -4.69 135.00 134.57 2a3j s PRO 42 Ca 0.18 1.76 0.22 0.00 0.04 0.00 0.00 61.00 63.20 2a3j s PRO 42 Cb -0.14 -2.37 1.19 0.00 0.04 0.00 0.00 34.50 33.22 2a3j s PRO 42 CO 0.06 -0.58 1.78 -0.22 0.04 0.00 0.00 177.00 178.08 2a3j h LYS 43 N 1.98 0.30 -0.24 4.56 3.11 -1.93 0.34 116.57 124.69 2a3j h LYS 43 Ca -0.49 -0.02 0.06 0.00 -2.81 0.00 0.00 60.65 57.39 2a3j h LYS 43 Cb 1.25 -0.07 -0.06 0.00 -1.00 0.00 0.00 32.23 32.35 2a3j h LYS 43 CO 0.60 0.20 -0.15 1.49 -2.81 0.00 0.00 179.45 178.78 2a3j h GLU 44 N 0.31 -0.13 0.07 1.90 4.81 -1.99 0.33 114.58 119.89 2a3j h GLU 44 Ca 0.59 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.70 2a3j h GLU 44 Cb 1.66 0.03 0.01 0.00 0.63 0.00 0.00 28.75 31.07 2a3j h GLU 44 CO -0.25 -0.09 -0.60 0.87 -0.73 0.00 0.00 179.01 178.21 2a3j h LYS 45 N -0.13 0.15 0.16 1.92 1.79 -1.39 -3.20 116.57 115.85 2a3j h LYS 45 Ca 0.13 -0.25 0.01 0.00 -2.18 0.00 0.00 60.65 58.37 2a3j h LYS 45 Cb 0.34 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.04 2a3j h LYS 45 CO -0.33 1.12 -0.48 1.25 -1.08 0.00 0.00 179.45 179.93 2a3j h LEU 46 N -0.67 -1.43 -0.67 2.94 6.46 -0.36 -2.03 115.31 119.56 2a3j h LEU 46 Ca -0.12 0.15 0.14 0.00 -0.12 0.00 0.00 57.88 57.93 2a3j h LEU 46 Cb 1.37 0.53 -0.10 0.00 -0.73 0.00 0.00 40.66 41.73 2a3j h LEU 46 CO 0.05 -0.54 0.14 -0.61 -0.62 0.00 0.00 178.44 176.86 2a3j h GLN 47 N -0.74 0.25 -1.00 1.25 4.15 -0.50 0.98 115.11 119.49 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 0.74 -0.06 -0.10 0.00 0.21 0.00 0.00 27.48 28.27 2a3j h GLN 47 CO -0.25 0.16 0.61 0.00 -1.93 0.00 0.00 178.83 177.43 2a3j h ALA 48 N 1.56 1.75 -0.06 3.38 0.00 -1.38 -0.42 119.26 124.08 2a3j h ALA 48 Ca 0.37 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 2a3j h ALA 48 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2a3j h ALA 48 CO -0.47 -0.12 -0.23 -0.07 0.00 0.00 0.00 179.25 178.36 2a3j h LEU 49 N 0.71 0.30 -1.70 0.00 -0.00 -0.31 -2.73 115.31 111.57 2a3j h LEU 49 Ca 0.58 -0.64 0.14 0.00 -0.00 0.00 0.00 57.88 57.96 2a3j h LEU 49 Cb 0.97 -0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 41.50 2a3j h LEU 49 CO -0.37 0.89 0.45 -0.07 -0.00 0.00 0.00 178.44 179.34 2a3j h LEU 50 N -0.27 0.28 -0.06 1.67 3.38 -0.15 -1.60 115.31 118.57 2a3j h LEU 50 Ca -0.01 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2a3j h LEU 50 Cb 0.88 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2a3j h LEU 50 CO 0.05 0.15 -0.23 0.22 0.09 0.00 0.00 178.44 178.72 2a3j h TYR 51 N 0.30 0.34 -0.17 1.13 5.03 -1.10 -1.75 116.97 120.76 2a3j h TYR 51 Ca 0.32 -0.15 0.05 0.00 2.58 0.00 0.00 58.73 61.53 2a3j h TYR 51 Cb 0.82 -0.05 -0.06 0.00 1.55 0.00 0.00 36.73 38.99 2a3j h TYR 51 CO -0.00 0.86 -0.23 0.00 -1.32 0.00 0.00 178.16 177.46 2a3j h ALA 52 N 0.41 -0.17 -0.48 1.82 0.00 -0.99 0.20 119.26 120.05 2a3j h ALA 52 Ca -0.01 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2a3j h ALA 52 Cb 0.88 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2a3j h ALA 52 CO 0.05 -0.68 0.10 -0.07 0.00 0.00 0.00 179.25 178.65 2a3j h LEU 53 N -0.28 0.74 0.05 0.00 3.38 -1.49 -2.39 115.31 115.33 2a3j h LEU 53 Ca 0.11 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.86 2a3j h LEU 53 Cb 0.45 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2a3j h LEU 53 CO -0.33 0.79 -0.17 0.00 0.09 0.00 0.00 178.44 178.82 2a3j h ALA 54 N 0.97 -0.25 -0.40 1.53 0.00 -0.72 -1.86 119.26 118.53 2a3j h ALA 54 Ca 0.15 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2a3j h ALA 54 Cb 0.35 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2a3j h ALA 54 CO 0.00 -0.68 0.27 1.03 0.00 0.00 0.00 179.25 179.87 2a3j h SER 55 N -0.31 0.32 -0.13 0.00 0.87 -0.57 0.05 113.55 113.78 2a3j h SER 55 Ca 0.04 -0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.63 2a3j h SER 55 Cb 0.35 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2a3j h SER 55 CO -0.13 0.22 0.18 -1.28 -0.53 0.00 0.00 176.83 175.29 2a3j h SER 56 N 0.37 0.00 0.00 6.23 0.87 -0.80 -3.33 113.55 116.89 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 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2a3j h SER 56 CO -0.04 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.26 2a3j n GLN 57 N -3.61 0.00 -4.60 2.24 1.13 -0.17 -5.11 117.38 107.26 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 0.28 -0.21 -0.09 0.00 0.11 0.00 0.00 30.24 30.33 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 -2.65 2.56 0.36 1.08 0.00 -0.20 -4.99 107.32 103.48 2a3j s GLY 58 Ca 0.00 -1.53 -0.25 0.00 0.00 0.00 0.00 44.72 42.94 2a3j s GLY 58 CO 0.00 -2.01 1.00 0.99 0.00 0.00 0.00 173.10 173.09 2a3j s ASP 59 N -3.68 7.03 -0.13 1.64 1.01 -1.26 -3.35 116.67 117.93 2a3j s ASP 59 Ca 0.25 1.95 -0.03 0.00 0.71 0.00 0.00 52.55 55.44 2a3j s ASP 59 Cb 0.06 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2a3j s ASP 59 CO 0.13 -0.29 -0.03 -0.63 0.21 0.00 0.00 175.17 174.56 2a3j s ILE 60 N -1.64 4.02 -0.12 0.77 1.09 -1.26 -1.72 121.20 122.34 2a3j s ILE 60 Ca 0.54 -0.33 0.20 0.00 -1.10 0.00 0.00 60.65 59.96 2a3j s ILE 60 Cb -0.20 -2.74 -0.28 0.00 -1.06 0.00 0.00 42.46 38.18 2a3j s ILE 60 CO 0.26 0.53 0.30 0.18 -0.10 0.00 0.00 174.94 176.11 2a3j n LEU 61 N 3.04 0.07 -3.37 2.97 4.77 -0.47 -4.91 117.00 119.12 2a3j n LEU 61 Ca -0.18 0.03 0.04 0.00 -0.03 0.00 0.00 56.01 55.87 2a3j n LEU 61 Cb 0.53 0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.83 2a3j n LEU 61 CO 0.31 0.27 1.00 -0.62 -1.33 0.00 0.00 177.39 177.02 2a3j s ASP 62 N -5.12 -0.00 -0.37 -1.43 -1.08 -1.20 -5.05 116.67 102.42 2a3j s ASP 62 Ca -0.09 0.00 -0.11 0.00 -0.52 0.00 0.00 52.55 51.83 2a3j s ASP 62 Cb 0.09 1.00 0.02 0.00 -1.46 0.00 0.00 42.92 42.57 2a3j s ASP 62 CO 0.86 -0.00 0.21 -0.63 0.52 0.00 0.00 175.17 176.13 2a3j s ILE 63 N 1.56 4.72 0.04 4.11 1.01 -1.26 -1.21 121.20 130.18 2a3j s ILE 63 Ca -0.03 -0.72 -0.06 0.00 0.00 0.00 0.00 60.65 59.84 2a3j s ILE 63 Cb -0.01 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 2a3j s ILE 63 CO -0.13 -0.18 0.29 -0.69 0.00 0.00 0.00 174.94 174.23 2a3j s VAL 64 N 1.59 5.27 -0.01 2.92 1.01 0.13 -4.99 120.40 126.32 2a3j s VAL 64 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2a3j s VAL 64 Cb -0.19 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.61 2a3j s VAL 64 CO 0.07 0.28 0.01 -0.69 0.00 0.00 0.00 175.10 174.77 2a3j s VAL 65 N -1.39 0.01 0.00 2.92 1.01 -1.26 -0.30 120.40 121.38 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 -0.06 0.00 0.00 0.00 0.00 0.00 36.38 36.19 2a3j s VAL 65 CO 0.19 0.04 0.00 -0.67 0.00 0.00 0.00 175.10 174.66 2a3j n ASP 66 N 3.49 -0.76 -1.04 3.32 2.03 -1.10 -4.87 116.55 117.62 2a3j n ASP 66 Ca -0.18 -0.04 0.05 0.00 0.52 0.00 0.00 54.79 55.14 2a3j n ASP 66 Cb 0.56 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 41.17 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 2.99 -3.68 -2.67 -0.00 -1.26 -4.93 117.00 107.45 2a3j n LEU 67 Ca 0.00 -1.51 -0.29 0.00 -0.00 0.00 0.00 56.01 54.22 2a3j n LEU 67 Cb 0.00 -0.45 0.04 0.00 -0.00 0.00 0.00 43.42 43.01 2a3j n LEU 67 CO 0.00 0.51 -0.08 -1.20 -0.00 0.00 0.00 177.39 176.62 2a3j n SER 68 N 0.54 -4.47 -3.04 1.45 7.64 -1.26 -4.96 113.62 109.52 2a3j n SER 68 Ca 0.15 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 59.05 2a3j n SER 68 Cb 0.58 -3.54 0.00 0.00 -1.01 0.00 0.00 64.21 60.24 2a3j n SER 68 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2a3j n ASP 69 N -2.78 -1.72 -0.01 6.43 -0.08 -1.26 -4.83 116.55 112.30 2a3j n ASP 69 Ca -0.13 -0.05 0.08 0.00 -1.51 0.00 0.00 54.79 53.18 2a3j n ASP 69 Cb 0.61 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.95 2a3j n ASP 69 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2a3j n ASP 70 N -2.72 1.30 0.00 1.67 -0.08 -1.26 -4.22 116.55 111.24 2a3j n ASP 70 Ca 0.00 -0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 2a3j n ASP 70 Cb 0.00 1.69 0.00 0.00 2.34 0.00 0.00 41.12 45.15 2a3j n ASP 70 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2a3j n ASN 71 N -2.02 0.04 0.00 1.67 0.23 -1.26 -4.88 115.26 109.05 2a3j n ASN 71 Ca -0.03 -0.49 0.00 0.00 -0.53 0.00 0.00 54.58 53.53 2a3j n ASN 71 Cb 0.41 0.90 0.00 0.00 -2.08 0.00 0.00 39.78 39.01 2a3j n ASN 71 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2a3j n SER 72 N -0.90 0.00 -3.04 0.53 7.64 -1.26 -5.07 113.62 111.52 2a3j n SER 72 Ca 0.00 0.02 -0.08 0.00 1.01 0.00 0.00 58.87 59.82 2a3j n SER 72 Cb 0.00 -0.32 0.01 0.00 -1.01 0.00 0.00 64.21 62.89 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 1.88 -1.57 3.68 0.23 0.00 -1.26 -4.55 105.19 103.60 2a3j n GLY 73 Ca 0.00 0.52 -0.12 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.67 2.16 0.17 1.61 -2.85 -1.26 -2.87 119.74 115.02 2a3j s LYS 74 Ca 0.10 -1.62 -0.21 0.00 -1.00 0.00 0.00 55.97 53.24 2a3j s LYS 74 Cb -0.02 0.55 0.07 0.00 -2.06 0.00 0.00 37.83 36.38 2a3j s LYS 74 CO 0.51 -0.97 1.02 0.00 0.10 0.00 0.00 175.35 176.01 2a3j n ALA 75 N -0.56 -2.67 -3.72 0.59 0.00 -0.54 -2.71 120.51 110.90 2a3j n ALA 75 Ca -0.05 -0.99 -0.14 0.00 0.00 0.00 0.00 53.44 52.26 2a3j n ALA 75 Cb 0.61 0.53 -0.15 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 -0.32 0.00 1.51 0.58 -0.70 117.35 116.04 2a3j s TYR 76 Ca 0.23 0.57 -0.07 0.00 -1.01 0.00 0.00 57.07 56.79 2a3j s TYR 76 Cb -0.03 -0.11 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 1.51 3.87 -0.14 2.71 1.01 0.13 0.19 121.20 130.47 2a3j s ILE 77 Ca -0.06 -0.90 -0.23 0.00 0.00 0.00 0.00 60.65 59.46 2a3j s ILE 77 Cb -0.12 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 2a3j s ILE 77 CO -0.06 -0.04 0.71 -0.69 0.00 0.00 0.00 174.94 174.86 2a3j s VAL 78 N 1.45 4.99 0.52 2.92 1.01 -0.35 -1.48 120.40 129.47 2a3j s VAL 78 Ca 0.01 1.40 0.06 0.00 0.00 0.00 0.00 61.98 63.45 2a3j s VAL 78 Cb -0.18 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.20 2a3j s VAL 78 CO 0.03 0.14 0.40 -0.36 0.00 0.00 0.00 175.10 175.30 2a3j s PHE 79 N 1.59 1.78 0.19 5.22 0.08 0.41 -1.36 117.98 125.89 2a3j s PHE 79 Ca 0.34 -0.79 -0.12 0.00 0.12 0.00 0.00 56.93 56.49 2a3j s PHE 79 Cb -0.17 -1.95 0.12 0.00 -0.57 0.00 0.00 43.02 40.45 2a3j s PHE 79 CO 0.13 -0.42 1.84 0.00 -0.10 0.00 0.00 175.22 176.67 2a3j h ALA 80 N 0.80 0.84 -2.63 5.36 0.00 -1.58 -3.42 119.26 118.64 2a3j h ALA 80 Ca -0.37 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.59 2a3j h ALA 80 Cb 1.30 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 2a3j h ALA 80 CO 0.57 0.31 0.37 0.99 0.00 0.00 0.00 179.25 181.49 2a3j s THR 81 N -6.02 0.00 0.56 0.00 2.01 -1.26 -4.93 115.64 106.00 2a3j s THR 81 Ca -0.13 -0.72 0.28 0.00 0.31 0.00 0.00 61.69 61.43 2a3j s THR 81 Cb 0.14 -1.88 0.40 0.00 0.01 0.00 0.00 72.50 71.16 2a3j s THR 81 CO 0.77 0.00 1.96 -0.61 -0.69 0.00 0.00 174.62 176.05 2a3j h GLN 82 N 2.00 0.00 0.20 4.92 -0.00 -1.87 -1.03 115.11 119.33 2a3j h GLN 82 Ca -0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.42 2a3j h GLN 82 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.71 2a3j h GLN 82 CO 0.25 0.00 -0.16 0.93 0.00 0.00 0.00 178.83 179.85 2a3j h GLU 83 N 0.00 -0.37 -0.07 1.69 5.08 -1.95 0.13 114.58 119.09 2a3j h GLU 83 Ca 0.24 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 2a3j h GLU 83 Cb 1.11 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2a3j h GLU 83 CO -0.00 -0.24 -0.27 0.77 -1.00 0.00 0.00 179.01 178.26 2a3j h SER 84 N -0.38 0.35 0.06 1.42 0.02 -1.70 -2.93 113.55 110.39 2a3j h SER 84 Ca -0.01 -0.64 0.03 0.00 -0.84 0.00 0.00 61.79 60.33 2a3j h SER 84 Cb 0.34 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 2a3j h SER 84 CO -0.02 0.93 -0.36 0.00 -1.14 0.00 0.00 176.83 176.25 2a3j h ALA 85 N 0.43 -0.58 -0.95 3.77 0.00 -1.20 -1.05 119.26 119.68 2a3j h ALA 85 Ca -0.02 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.98 2a3j h ALA 85 Cb 0.91 0.61 -0.08 0.00 0.00 0.00 0.00 17.79 19.23 2a3j h ALA 85 CO 0.06 -0.89 0.61 0.37 0.00 0.00 0.00 179.25 179.39 2a3j h GLN 86 N -0.55 0.84 0.01 0.00 -0.00 -0.84 0.35 115.11 114.92 2a3j h GLN 86 Ca 0.04 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.64 2a3j h GLN 86 Cb 0.61 -0.19 0.00 0.00 0.00 0.00 0.00 27.48 27.90 2a3j h GLN 86 CO -0.25 0.56 -0.01 0.00 0.00 0.00 0.00 178.83 179.13 2a3j h ALA 87 N 1.57 -0.01 -0.07 3.38 0.00 -1.09 -0.69 119.26 122.33 2a3j h ALA 87 Ca 0.48 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 2a3j h ALA 87 Cb 0.59 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2a3j h ALA 87 CO -0.24 -0.49 -0.28 0.35 0.00 0.00 0.00 179.25 178.58 2a3j h PHE 88 N -0.05 0.15 -0.25 0.00 3.04 -0.41 0.26 116.94 119.68 2a3j h PHE 88 Ca -0.00 -0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.87 2a3j h PHE 88 Cb 0.04 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.51 2a3j h PHE 88 CO -0.07 0.41 -0.07 0.28 -2.02 0.00 0.00 178.31 176.84 2a3j h VAL 89 N 0.12 1.29 0.00 1.41 2.07 -0.55 -2.12 116.25 118.46 2a3j h VAL 89 Ca 0.02 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 2a3j h VAL 89 Cb 0.57 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2a3j h VAL 89 CO 0.04 0.34 -0.33 -0.33 0.02 0.00 0.00 177.57 177.31 2a3j h GLU 90 N 0.23 0.00 0.00 1.57 4.39 -0.97 0.25 114.58 120.06 2a3j h GLU 90 Ca 0.06 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 2a3j h GLU 90 Cb 0.54 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2a3j h GLU 90 CO 0.03 0.18 -0.22 0.00 -1.16 0.00 0.00 179.01 177.84 2a3j h ALA 91 N 1.81 0.91 0.00 3.43 0.00 -0.39 -3.27 119.26 121.76 2a3j h ALA 91 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2a3j h ALA 91 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2a3j h ALA 91 CO 0.02 0.27 0.00 1.19 0.00 0.00 0.00 179.25 180.74 2a3j n PHE 92 N -3.23 0.00 -0.32 0.00 3.01 -0.81 -4.76 117.46 111.35 2a3j n PHE 92 Ca 0.02 -0.22 0.28 0.00 1.01 0.00 0.00 57.45 58.54 2a3j n PHE 92 Cb 0.53 -0.02 0.60 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 0.22 -2.09 -1.08 5.75 -0.54 -2.74 115.11 114.64 2a3j h GLN 93 Ca 0.00 -0.01 -0.54 0.00 -0.15 0.00 0.00 58.65 57.95 2a3j h GLN 93 Cb 0.44 -0.05 -0.40 0.00 1.07 0.00 0.00 27.48 28.54 2a3j h GLN 93 CO 0.00 0.15 -0.98 0.41 -2.65 0.00 0.00 178.83 175.76 2a3j n GLY 94 N -1.58 4.06 2.97 2.39 0.00 -1.26 -4.77 105.19 107.00 2a3j n GLY 94 Ca 0.26 -2.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.42 0.74 -0.51 1.61 6.14 -1.04 -5.10 117.35 116.78 2a3j s TYR 95 Ca 0.41 -0.17 -0.27 0.00 0.64 0.00 0.00 57.07 57.68 2a3j s TYR 95 Cb 0.27 -0.53 -0.02 0.00 0.42 0.00 0.00 41.96 42.10 2a3j s TYR 95 CO -0.09 -0.07 1.80 -1.25 0.64 0.00 0.00 175.55 176.57 2a3j s PRO 96 N 0.16 2.94 0.04 4.97 0.04 -1.26 -4.36 135.00 137.53 2a3j s PRO 96 Ca -0.02 0.89 0.05 0.00 0.04 0.00 0.00 61.00 61.95 2a3j s PRO 96 Cb -0.07 -4.29 -0.02 0.00 0.04 0.00 0.00 34.50 30.16 2a3j s PRO 96 CO 0.00 -2.35 -0.13 0.12 0.04 0.00 0.00 177.00 174.68 2a3j s PHE 97 N 8.05 1.16 -1.69 0.56 5.36 -1.24 -4.72 117.98 125.46 2a3j s PHE 97 Ca 0.70 -0.36 0.00 0.00 -0.96 0.00 0.00 56.93 56.31 2a3j s PHE 97 Cb -0.16 -0.68 0.00 0.00 -0.34 0.00 0.00 43.02 41.84 2a3j s PHE 97 CO 0.26 0.03 0.00 1.04 -1.46 0.00 0.00 175.22 175.08 2a3j n GLN 98 N 1.86 -1.63 0.00 10.12 6.02 -1.26 -2.86 117.38 129.64 2a3j n GLN 98 Ca -0.18 0.95 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 2a3j n GLN 98 Cb 0.55 -5.42 0.00 0.00 1.02 0.00 0.00 30.24 26.39 2a3j n GLN 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2a3j n GLY 99 N -0.61 2.84 0.00 1.08 0.00 -1.26 -4.71 105.19 102.53 2a3j n GLY 99 Ca -0.19 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2a3j n GLY 99 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2a3j n ASN 100 N 0.00 0.00 -4.57 1.61 5.03 -1.13 -4.99 115.26 111.20 2a3j n ASN 100 Ca 0.00 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.05 2a3j n ASN 100 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 2a3j n ASN 100 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2a3j s PRO 101 N 0.00 2.96 -0.10 3.52 0.04 -1.26 -3.61 135.00 136.56 2a3j s PRO 101 Ca 0.00 0.92 0.01 0.00 0.04 0.00 0.00 61.00 61.97 2a3j s PRO 101 Cb 0.00 -4.29 0.02 0.00 0.04 0.00 0.00 34.50 30.27 2a3j s PRO 101 CO 0.00 -2.32 -0.12 -1.17 0.04 0.00 0.00 177.00 173.44 2a3j s LEU 102 N 7.96 1.52 -0.05 -3.56 2.96 -1.26 -4.76 118.68 121.49 2a3j s LEU 102 Ca 0.71 -0.34 0.06 0.00 -0.22 0.00 0.00 54.13 54.34 2a3j s LEU 102 Cb -0.16 -0.92 -0.01 0.00 0.50 0.00 0.00 46.19 45.60 2a3j s LEU 102 CO 0.26 -0.03 -0.24 0.54 -1.32 0.00 0.00 176.35 175.56 2a3j s VAL 103 N 1.14 1.99 -0.05 1.68 0.11 -1.26 -4.72 120.40 119.29 2a3j s VAL 103 Ca -0.05 -1.04 -0.01 0.00 -2.93 0.00 0.00 61.98 57.96 2a3j s VAL 103 Cb -0.14 -1.68 0.03 0.00 -1.53 0.00 0.00 36.38 33.06 2a3j s VAL 103 CO -0.02 0.56 0.01 0.27 -3.33 0.00 0.00 175.10 172.59 2a3j s ILE 104 N -0.21 0.17 0.25 7.04 -0.00 -1.26 -3.65 121.20 123.54 2a3j s ILE 104 Ca -0.02 0.18 -0.04 0.00 -0.00 0.00 0.00 60.65 60.77 2a3j s ILE 104 Cb -0.13 -0.33 -0.02 0.00 -0.00 0.00 0.00 42.46 41.98 2a3j s ILE 104 CO 0.03 0.19 0.31 0.42 -0.00 0.00 0.00 174.94 175.89 2a3j s THR 105 N 1.61 0.00 0.19 8.37 -4.23 -1.15 -4.89 115.64 115.54 2a3j s THR 105 Ca -0.01 -1.74 -0.02 0.00 -1.18 0.00 0.00 61.69 58.73 2a3j s THR 105 Cb -0.13 -2.43 0.04 0.00 1.34 0.00 0.00 72.50 71.33 2a3j s THR 105 CO -0.03 0.00 0.26 0.49 -0.54 0.00 0.00 174.62 174.80 2a3j n PHE 106 N -0.38 -3.76 -3.49 3.99 3.72 -1.26 -0.10 117.46 116.17 2a3j n PHE 106 Ca 0.01 -0.29 -0.03 0.00 -0.05 0.00 0.00 57.45 57.10 2a3j n PHE 106 Cb 0.64 -0.20 -0.00 0.00 -0.94 0.00 0.00 39.48 38.98 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 -3.12 -0.35 -4.84 4.37 2.88 -1.14 -3.79 113.62 107.64 2a3j n SER 107 Ca 0.04 -1.37 -0.33 0.00 -1.33 0.00 0.00 58.87 55.87 2a3j n SER 107 Cb 0.12 0.62 -0.06 0.00 -0.75 0.00 0.00 64.21 64.14 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 -2.11 3.25 -0.51 -1.46 0.41 -1.26 -4.80 118.70 112.21 2a3j s GLU 108 Ca 0.05 -0.39 0.07 0.00 -0.41 0.00 0.00 54.97 54.29 2a3j s GLU 108 Cb -0.00 -2.98 0.23 0.00 -1.78 0.00 0.00 34.13 29.60 2a3j s GLU 108 CO 0.04 0.67 0.58 0.25 -0.49 0.00 0.00 175.26 176.31 2a3j n THR 109 N 1.18 0.55 -1.08 3.63 -2.24 -1.26 -5.02 114.28 110.05 2a3j n THR 109 Ca -0.13 -4.46 -0.30 0.00 -2.27 0.00 0.00 64.05 56.89 2a3j n THR 109 Cb 0.53 -2.00 0.24 0.00 -2.10 0.00 0.00 70.33 67.01 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 -1.54 -1.31 0.10 -0.78 0.04 -1.26 -4.98 135.00 125.28 2a3j s PRO 110 Ca 0.36 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.30 2a3j s PRO 110 Cb 0.13 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 33.08 2a3j s PRO 110 CO -0.09 -3.76 0.00 0.94 0.04 0.00 0.00 177.00 174.13 2a3j n GLN 111 N -4.79 0.00 -0.03 4.56 -0.06 -1.26 -4.97 117.38 110.83 2a3j n GLN 111 Ca 0.14 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 55.00 2a3j n GLN 111 Cb 0.60 0.00 -0.14 0.00 -4.06 0.00 0.00 30.24 26.63 2a3j n GLN 111 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2a3j n SER 112 N -2.85 1.25 0.18 1.69 3.41 -1.26 -4.05 113.62 111.99 2a3j n SER 112 Ca 0.00 0.27 0.17 0.00 -0.26 0.00 0.00 58.87 59.04 2a3j n SER 112 Cb 0.00 -0.22 0.78 0.00 -0.26 0.00 0.00 64.21 64.51 2a3j n SER 112 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2a3j h GLN 113 N 0.02 0.00 -6.63 4.33 3.07 -1.93 -3.39 115.11 110.59 2a3j h GLN 113 Ca -0.38 0.00 -0.58 0.00 0.09 0.00 0.00 58.65 57.78 2a3j h GLN 113 Cb 2.04 0.00 0.14 0.00 0.08 0.00 0.00 27.48 29.74 2a3j h GLN 113 CO 0.07 0.00 0.08 1.33 0.09 0.00 0.00 178.83 180.39 2a3j n VAL 114 N -3.99 2.51 0.05 1.86 0.24 -1.26 -4.83 118.33 112.90 2a3j n VAL 114 Ca 0.02 -0.50 0.19 0.00 -2.04 0.00 0.00 64.34 62.01 2a3j n VAL 114 Cb 0.34 -1.07 0.71 0.00 -1.47 0.00 0.00 33.84 32.34 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 1.29 2.36 -0.81 2.33 0.00 -1.94 -0.48 119.26 122.02 2a3j h ALA 115 Ca -0.44 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 54.65 2a3j h ALA 115 Cb 1.35 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 2a3j h ALA 115 CO 0.55 -0.57 0.56 1.49 0.00 0.00 0.00 179.25 181.28 2a3j h GLU 116 N 0.00 0.20 0.00 0.00 4.57 -1.89 -3.54 114.58 113.92 2a3j h GLU 116 Ca 0.21 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 2a3j h GLU 116 Cb 0.89 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 2a3j h GLU 116 CO -0.00 0.13 0.00 -3.47 -1.18 0.00 0.00 179.01 174.49