#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 0.75 -0.78 0.04 -1.26 -4.99 135.00 132.32 2a3j s PRO 23 Ca 0.00 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 2a3j s PRO 23 Cb 0.00 -4.10 0.04 0.00 0.04 0.00 0.00 34.50 30.48 2a3j s PRO 23 CO 0.00 -1.58 1.10 -1.25 0.04 0.00 0.00 177.00 175.31 2a3j s PRO 24 N 5.13 2.37 -0.39 0.56 0.04 -1.26 -4.43 135.00 137.02 2a3j s PRO 24 Ca 0.73 1.22 -0.20 0.00 0.04 0.00 0.00 61.00 62.79 2a3j s PRO 24 Cb -0.22 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.44 2a3j s PRO 24 CO 0.32 -1.57 0.50 0.72 0.04 0.00 0.00 177.00 177.01 2a3j n HIS 25 N -3.28 -3.04 -0.05 0.56 8.25 -1.26 -4.96 115.22 111.43 2a3j n HIS 25 Ca 0.09 1.26 -0.02 0.00 -0.26 0.00 0.00 57.72 58.79 2a3j n HIS 25 Cb 0.53 -3.12 -0.12 0.00 1.12 0.00 0.00 29.99 28.40 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 -0.02 0.71 -4.25 1.59 -2.24 -1.26 -5.01 114.28 103.80 2a3j n THR 26 Ca 0.03 -0.56 -0.16 0.00 -2.27 0.00 0.00 64.05 61.09 2a3j n THR 26 Cb 0.48 -0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.63 1.05 0.79 -0.78 1.03 -1.26 -5.15 118.70 111.75 2a3j s GLU 27 Ca -0.07 -1.35 -0.11 0.00 0.03 0.00 0.00 54.97 53.47 2a3j s GLU 27 Cb 0.07 -0.76 0.06 0.00 -0.80 0.00 0.00 34.13 32.70 2a3j s GLU 27 CO 0.65 0.12 1.09 -1.25 -1.33 0.00 0.00 175.26 174.54 2a3j s PRO 28 N -3.23 2.15 -0.31 -4.83 0.04 -1.26 -5.05 135.00 122.50 2a3j s PRO 28 Ca 0.13 1.14 0.03 0.00 0.04 0.00 0.00 61.00 62.34 2a3j s PRO 28 Cb -0.01 -1.89 0.17 0.00 0.04 0.00 0.00 34.50 32.81 2a3j s PRO 28 CO 0.02 -1.71 0.46 -1.12 0.04 0.00 0.00 177.00 174.69 2a3j s SER 29 N -3.39 -0.04 -0.21 6.66 0.01 -1.26 -4.24 113.70 111.22 2a3j s SER 29 Ca 0.61 -0.49 0.10 0.00 1.31 0.00 0.00 55.95 57.48 2a3j s SER 29 Cb -0.17 1.28 0.62 0.00 0.21 0.00 0.00 66.02 67.96 2a3j s SER 29 CO 0.56 -0.31 1.51 0.00 0.41 0.00 0.00 173.24 175.41 2a3j n GLN 30 N 5.12 3.70 -3.95 12.44 6.02 -1.26 -3.18 117.38 136.27 2a3j n GLN 30 Ca 0.04 -2.44 -0.10 0.00 -0.01 0.00 0.00 57.00 54.49 2a3j n GLN 30 Cb 0.50 -2.07 -0.12 0.00 1.02 0.00 0.00 30.24 29.57 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 -2.41 0.09 -0.02 5.09 -7.23 -1.26 -1.19 120.40 113.47 2a3j s VAL 31 Ca 0.43 -0.64 0.05 0.00 -1.81 0.00 0.00 61.98 60.01 2a3j s VAL 31 Cb 0.33 -0.20 -0.01 0.00 0.56 0.00 0.00 36.38 37.06 2a3j s VAL 31 CO 0.12 -0.34 -0.18 0.68 -0.31 0.00 0.00 175.10 175.06 2a3j s VAL 32 N -1.01 1.48 -0.24 1.32 -7.23 -0.91 -1.85 120.40 111.95 2a3j s VAL 32 Ca -0.11 -0.78 -0.07 0.00 -1.81 0.00 0.00 61.98 59.20 2a3j s VAL 32 Cb -0.07 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 2a3j s VAL 32 CO -0.01 0.42 0.07 -0.22 -0.31 0.00 0.00 175.10 175.05 2a3j s LEU 33 N -0.30 3.51 0.06 1.32 2.96 0.17 -0.86 118.68 125.54 2a3j s LEU 33 Ca 0.04 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 2a3j s LEU 33 Cb -0.09 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 2a3j s LEU 33 CO 0.00 0.00 -0.03 0.27 -1.32 0.00 0.00 176.35 175.27 2a3j s ILE 34 N 1.40 3.84 0.14 6.68 -0.00 0.01 -3.05 121.20 130.24 2a3j s ILE 34 Ca 0.05 -0.94 0.02 0.00 -0.00 0.00 0.00 60.65 59.79 2a3j s ILE 34 Cb -0.15 -2.77 -0.01 0.00 -0.00 0.00 0.00 42.46 39.53 2a3j s ILE 34 CO 0.04 0.21 0.15 0.35 -0.00 0.00 0.00 174.94 175.69 2a3j n THR 35 N 0.92 0.00 -2.37 8.37 -2.24 -1.24 -1.50 114.28 116.22 2a3j n THR 35 Ca -0.13 -0.95 -0.15 0.00 -2.27 0.00 0.00 64.05 60.55 2a3j n THR 35 Cb 0.52 0.50 -0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 -2.27 -4.59 -4.75 3.42 5.15 -1.23 -4.01 115.26 106.98 2a3j n ASN 36 Ca 0.02 -0.05 -0.36 0.00 -0.60 0.00 0.00 54.58 53.60 2a3j n ASN 36 Cb 0.26 -3.69 -0.08 0.00 -0.53 0.00 0.00 39.78 35.74 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 -2.79 5.01 -0.11 -1.44 -4.36 -1.18 -4.78 121.20 111.55 2a3j s ILE 37 Ca 0.04 0.03 -0.30 0.00 -0.26 0.00 0.00 60.65 60.16 2a3j s ILE 37 Cb -0.02 -3.19 -0.02 0.00 1.25 0.00 0.00 42.46 40.48 2a3j s ILE 37 CO 0.05 0.56 1.10 0.20 0.24 0.00 0.00 174.94 177.09 2a3j s ASN 38 N -0.52 7.13 0.00 4.36 0.01 -1.26 -4.52 114.94 120.14 2a3j s ASN 38 Ca 0.11 1.62 0.15 0.00 -0.71 0.00 0.00 52.86 54.02 2a3j s ASN 38 Cb -0.12 -2.55 0.72 0.00 0.41 0.00 0.00 41.25 39.71 2a3j s ASN 38 CO 0.02 -0.56 1.42 -0.81 -1.51 0.00 0.00 177.10 175.66 2a3j n PRO 39 N 5.44 0.17 -0.15 -0.60 -0.04 -1.26 -3.32 135.00 135.24 2a3j n PRO 39 Ca 0.11 0.17 0.28 0.00 -0.04 0.00 0.00 63.50 64.01 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 -5.87 0.54 5.08 -1.90 -3.39 114.58 109.04 2a3j h GLU 40 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 2a3j h GLU 40 Cb 0.16 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 2a3j h GLU 40 CO 0.00 0.00 -0.14 0.54 -1.00 0.00 0.00 179.01 178.41 2a3j s VAL 41 N -4.92 5.09 0.32 3.13 0.11 -1.21 -5.06 120.40 117.86 2a3j s VAL 41 Ca -0.05 0.95 -0.29 0.00 -2.93 0.00 0.00 61.98 59.67 2a3j s VAL 41 Cb 0.21 -3.80 -0.10 0.00 -1.53 0.00 0.00 36.38 31.16 2a3j s VAL 41 CO 0.74 0.42 1.22 -2.16 -3.33 0.00 0.00 175.10 172.00 2a3j s PRO 42 N -0.04 4.44 0.46 1.54 0.04 -1.26 -4.73 135.00 135.44 2a3j s PRO 42 Ca 0.26 2.04 0.27 0.00 0.04 0.00 0.00 61.00 63.61 2a3j s PRO 42 Cb -0.16 -3.09 1.32 0.00 0.04 0.00 0.00 34.50 32.62 2a3j s PRO 42 CO 0.12 -0.05 1.76 -0.22 0.04 0.00 0.00 177.00 178.65 2a3j h LYS 43 N 3.48 0.19 -0.17 4.56 3.64 -1.95 0.36 116.57 126.70 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 -0.35 1.49 -2.27 0.00 0.00 179.45 179.10 2a3j h GLU 44 N 0.20 -0.39 0.16 1.90 4.81 -1.99 0.42 114.58 119.68 2a3j h GLU 44 Ca 0.62 0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 59.59 2a3j h GLU 44 Cb 1.96 0.09 0.01 0.00 0.63 0.00 0.00 28.75 31.44 2a3j h GLU 44 CO -0.20 -0.26 -1.39 0.87 -0.73 0.00 0.00 179.01 177.30 2a3j h LYS 45 N -0.41 0.33 -0.32 1.92 1.57 -1.50 -3.16 116.57 115.00 2a3j h LYS 45 Ca 0.10 -0.56 0.07 0.00 -1.87 0.00 0.00 60.65 58.39 2a3j h LYS 45 Cb 0.57 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 33.02 2a3j h LYS 45 CO -0.39 1.27 -0.12 1.25 -0.57 0.00 0.00 179.45 180.89 2a3j h LEU 46 N -0.16 -0.42 -0.03 2.94 5.85 -0.26 0.20 115.31 123.43 2a3j h LEU 46 Ca -0.28 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 2a3j h LEU 46 Cb 1.87 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 43.15 2a3j h LEU 46 CO 0.13 -0.15 0.01 -0.61 -0.34 0.00 0.00 178.44 177.48 2a3j h GLN 47 N -0.06 0.04 -0.44 1.25 4.15 -0.32 -1.81 115.11 117.92 2a3j h GLN 47 Ca 0.16 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.64 2a3j h GLN 47 Cb 0.30 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 2a3j h GLN 47 CO -0.36 0.10 0.12 0.00 -1.93 0.00 0.00 178.83 176.76 2a3j h ALA 48 N 0.93 0.51 -0.20 3.38 0.00 -1.39 -2.09 119.26 120.40 2a3j h ALA 48 Ca 0.01 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2a3j h ALA 48 Cb 0.08 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2a3j h ALA 48 CO -0.00 -0.27 0.04 1.25 0.00 0.00 0.00 179.25 180.27 2a3j h LEU 49 N 0.27 0.02 -1.35 0.00 7.12 -0.46 -0.32 115.31 120.58 2a3j h LEU 49 Ca 0.21 0.03 0.16 0.00 0.13 0.00 0.00 57.88 58.41 2a3j h LEU 49 Cb 0.24 0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 40.34 2a3j h LEU 49 CO -0.25 0.04 0.57 -0.07 -0.13 0.00 0.00 178.44 178.60 2a3j h LEU 50 N 0.12 0.58 -0.09 2.25 3.38 -0.83 -0.84 115.31 119.89 2a3j h LEU 50 Ca 0.09 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 2a3j h LEU 50 Cb 0.08 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.76 2a3j h LEU 50 CO -0.11 0.28 -0.42 0.22 0.09 0.00 0.00 178.44 178.50 2a3j h TYR 51 N 0.61 0.59 0.03 1.13 5.03 -0.68 -1.31 116.97 122.36 2a3j h TYR 51 Ca 0.44 -0.26 0.02 0.00 2.58 0.00 0.00 58.73 61.52 2a3j h TYR 51 Cb 0.81 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.97 2a3j h TYR 51 CO -0.00 1.02 -0.17 0.00 -1.32 0.00 0.00 178.16 177.69 2a3j h ALA 52 N 0.45 -0.23 0.00 1.82 0.00 -0.01 0.20 119.26 121.49 2a3j h ALA 52 Ca -0.03 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2a3j h ALA 52 Cb 1.07 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2a3j h ALA 52 CO 0.09 -0.67 -0.42 1.37 0.00 0.00 0.00 179.25 179.62 2a3j h LEU 53 N -0.29 0.00 0.14 0.00 8.10 -1.29 -3.12 115.31 118.85 2a3j h LEU 53 Ca 0.04 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.03 2a3j h LEU 53 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.56 2a3j h LEU 53 CO -0.14 0.42 -0.07 0.00 -4.11 0.00 0.00 178.44 174.54 2a3j h ALA 54 N 1.58 -0.19 -0.72 0.17 0.00 -0.53 -3.03 119.26 116.54 2a3j h ALA 54 Ca -0.00 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 54.91 2a3j h ALA 54 Cb 0.77 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2a3j h ALA 54 CO 0.05 -0.40 0.53 1.03 0.00 0.00 0.00 179.25 180.46 2a3j h SER 55 N -0.60 0.00 -0.12 0.00 0.87 -0.61 0.28 113.55 113.36 2a3j h SER 55 Ca -0.02 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2a3j h SER 55 Cb 0.46 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2a3j h SER 55 CO 0.03 0.00 0.17 -1.28 -0.53 0.00 0.00 176.83 175.22 2a3j h SER 56 N 0.00 0.00 0.00 6.23 0.87 -1.47 -3.32 113.55 115.86 2a3j h SER 56 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 2a3j h SER 56 Cb 1.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2a3j h SER 56 CO -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 2a3j n GLN 57 N -3.58 0.00 -4.54 2.24 1.13 0.91 -5.11 117.38 108.43 2a3j n GLN 57 Ca 0.00 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.80 2a3j n GLN 57 Cb 0.28 -0.26 -0.09 0.00 0.11 0.00 0.00 30.24 30.27 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 -2.78 2.51 0.28 1.08 0.00 -0.83 -4.99 107.32 102.60 2a3j s GLY 58 Ca 0.00 -1.39 -0.28 0.00 0.00 0.00 0.00 44.72 43.04 2a3j s GLY 58 CO 0.00 -1.90 0.99 0.99 0.00 0.00 0.00 173.10 173.18 2a3j s ASP 59 N -3.62 7.40 -0.14 1.64 1.11 -1.26 -3.53 116.67 118.27 2a3j s ASP 59 Ca 0.25 2.02 -0.06 0.00 0.18 0.00 0.00 52.55 54.94 2a3j s ASP 59 Cb 0.05 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 2a3j s ASP 59 CO 0.13 -0.03 0.06 -0.63 1.18 0.00 0.00 175.17 175.89 2a3j s ILE 60 N -1.31 4.82 -0.16 0.77 1.09 -1.26 -1.61 121.20 123.53 2a3j s ILE 60 Ca 0.45 -0.04 0.19 0.00 -1.10 0.00 0.00 60.65 60.15 2a3j s ILE 60 Cb -0.26 -3.12 -0.27 0.00 -1.06 0.00 0.00 42.46 37.76 2a3j s ILE 60 CO 0.32 0.53 0.16 0.18 -0.10 0.00 0.00 174.94 176.03 2a3j n LEU 61 N 2.83 0.00 0.00 2.97 4.77 0.47 -4.91 117.00 123.13 2a3j n LEU 61 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2a3j n LEU 61 Cb 0.53 0.39 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 2a3j n LEU 61 CO 0.33 0.39 0.00 -0.67 -1.33 0.00 0.00 177.39 176.10 2a3j n ASP 62 N -2.64 0.00 -4.35 -1.43 -0.08 -1.21 -5.03 116.55 101.81 2a3j n ASP 62 Ca -0.27 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.63 2a3j n ASP 62 Cb 1.03 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 44.37 2a3j n ASP 62 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2a3j s ILE 63 N 0.00 4.24 0.08 5.18 1.01 -1.26 -1.30 121.20 129.15 2a3j s ILE 63 Ca 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 2a3j s ILE 63 Cb 0.00 -3.31 -0.06 0.00 0.01 0.00 0.00 42.46 39.10 2a3j s ILE 63 CO 0.00 -0.12 0.44 -0.69 0.00 0.00 0.00 174.94 174.57 2a3j s VAL 64 N 1.51 5.03 -0.02 2.92 1.01 0.11 -4.95 120.40 126.00 2a3j s VAL 64 Ca 0.01 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2a3j s VAL 64 Cb -0.19 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2a3j s VAL 64 CO 0.05 0.34 0.01 -0.69 0.00 0.00 0.00 175.10 174.81 2a3j s VAL 65 N -1.35 0.05 0.00 2.92 1.01 -1.26 -0.10 120.40 121.67 2a3j s VAL 65 Ca 0.32 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2a3j s VAL 65 Cb -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.08 2a3j s VAL 65 CO 0.17 0.10 0.00 -0.67 0.00 0.00 0.00 175.10 174.70 2a3j n ASP 66 N 3.99 -0.46 -1.62 3.32 -0.08 -1.12 -4.86 116.55 115.72 2a3j n ASP 66 Ca -0.25 -0.04 -0.05 0.00 -1.51 0.00 0.00 54.79 52.95 2a3j n ASP 66 Cb 0.52 0.00 0.21 0.00 2.34 0.00 0.00 41.12 44.18 2a3j n ASP 66 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2a3j n LEU 67 N 0.00 4.82 -3.80 -2.67 -0.00 -1.26 -4.91 117.00 109.18 2a3j n LEU 67 Ca 0.00 -2.50 -0.32 0.00 -0.00 0.00 0.00 56.01 53.20 2a3j n LEU 67 Cb 0.00 -0.67 0.02 0.00 -0.00 0.00 0.00 43.42 42.77 2a3j n LEU 67 CO 0.00 0.67 -0.13 -1.54 -0.00 0.00 0.00 177.39 176.39 2a3j n SER 68 N -0.04 -3.77 -4.78 1.45 3.41 -1.26 -4.91 113.62 103.72 2a3j n SER 68 Ca 0.29 -1.05 -0.37 0.00 -0.26 0.00 0.00 58.87 57.48 2a3j n SER 68 Cb 1.08 -3.10 -0.03 0.00 -0.26 0.00 0.00 64.21 61.90 2a3j n SER 68 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2a3j s ASP 69 N -3.73 6.59 0.00 4.04 -1.08 -1.26 -4.71 116.67 116.52 2a3j s ASP 69 Ca 0.34 2.15 0.24 0.00 -0.52 0.00 0.00 52.55 54.77 2a3j s ASP 69 Cb -0.13 -2.59 1.26 0.00 -1.46 0.00 0.00 42.92 39.99 2a3j s ASP 69 CO 0.88 -0.61 1.82 0.47 0.52 0.00 0.00 175.17 178.25 2a3j n ASP 70 N -0.12 0.00 -0.00 -0.34 9.92 -1.26 -1.60 116.55 123.14 2a3j n ASP 70 Ca 0.05 -0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 2a3j n ASP 70 Cb 0.49 -0.26 -0.00 0.00 -0.64 0.00 0.00 41.12 40.71 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 -1.26 0.08 0.00 -2.24 5.15 -1.26 -4.91 115.26 110.83 2a3j n ASN 71 Ca 0.12 -0.54 0.00 0.00 -0.60 0.00 0.00 54.58 53.56 2a3j n ASN 71 Cb 0.18 0.94 0.00 0.00 -0.53 0.00 0.00 39.78 40.37 2a3j n ASN 71 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2a3j n SER 72 N -0.95 0.00 -2.96 1.20 7.64 -1.13 -5.10 113.62 112.33 2a3j n SER 72 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 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 3.56 -2.20 3.63 0.23 0.00 -0.63 -4.61 105.19 105.18 2a3j n GLY 73 Ca 0.00 0.39 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.52 1.97 0.27 1.61 -2.85 -1.26 -3.08 119.74 114.87 2a3j s LYS 74 Ca 0.04 -1.55 -0.19 0.00 -1.00 0.00 0.00 55.97 53.27 2a3j s LYS 74 Cb -0.01 0.52 0.07 0.00 -2.06 0.00 0.00 37.83 36.35 2a3j s LYS 74 CO 0.49 -0.86 0.95 0.00 0.10 0.00 0.00 175.35 176.03 2a3j s ALA 75 N -2.97 -1.24 -0.10 0.59 0.00 -0.56 -2.77 121.76 114.71 2a3j s ALA 75 Ca 0.24 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.61 2a3j s ALA 75 Cb -0.02 0.73 0.05 0.00 0.00 0.00 0.00 23.12 23.88 2a3j s ALA 75 CO 0.15 -1.03 0.21 0.71 0.00 0.00 0.00 175.76 175.80 2a3j s TYR 76 N -2.11 -0.28 -0.38 0.00 1.51 0.86 -0.81 117.35 116.14 2a3j s TYR 76 Ca 0.20 0.71 -0.07 0.00 -1.01 0.00 0.00 57.07 56.90 2a3j s TYR 76 Cb -0.04 -0.03 0.07 0.00 -0.11 0.00 0.00 41.96 41.85 2a3j s TYR 76 CO 0.08 -0.24 0.18 0.42 -1.11 0.00 0.00 175.55 174.88 2a3j s ILE 77 N 1.50 3.85 -0.14 2.71 1.01 -0.04 0.05 121.20 130.14 2a3j s ILE 77 Ca -0.07 -1.39 -0.26 0.00 0.00 0.00 0.00 60.65 58.93 2a3j s ILE 77 Cb -0.11 -3.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 2a3j s ILE 77 CO -0.08 -0.38 0.86 -0.69 0.00 0.00 0.00 174.94 174.65 2a3j s VAL 78 N 1.37 4.88 0.51 2.92 1.01 -0.42 -2.15 120.40 128.52 2a3j s VAL 78 Ca 0.01 1.71 0.06 0.00 0.00 0.00 0.00 61.98 63.76 2a3j s VAL 78 Cb -0.21 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.02 2a3j s VAL 78 CO 0.01 0.05 0.38 -0.36 0.00 0.00 0.00 175.10 175.19 2a3j s PHE 79 N 1.92 1.91 0.19 5.22 0.08 -0.33 -0.39 117.98 126.58 2a3j s PHE 79 Ca 0.41 -0.75 -0.11 0.00 0.12 0.00 0.00 56.93 56.59 2a3j s PHE 79 Cb -0.17 -1.97 0.21 0.00 -0.57 0.00 0.00 43.02 40.52 2a3j s PHE 79 CO 0.15 -0.36 1.77 0.00 -0.10 0.00 0.00 175.22 176.67 2a3j h ALA 80 N 0.85 0.73 -2.66 5.36 0.00 -1.56 -3.42 119.26 118.56 2a3j h ALA 80 Ca -0.38 0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.69 2a3j h ALA 80 Cb 1.29 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 2a3j h ALA 80 CO 0.58 -0.12 0.39 0.99 0.00 0.00 0.00 179.25 181.09 2a3j s THR 81 N -6.11 0.00 0.55 0.00 2.01 -1.26 -4.93 115.64 105.89 2a3j s THR 81 Ca -0.13 -0.81 0.29 0.00 0.31 0.00 0.00 61.69 61.36 2a3j s THR 81 Cb 0.15 -2.25 0.44 0.00 0.01 0.00 0.00 72.50 70.85 2a3j s THR 81 CO 0.74 0.00 1.92 -0.61 -0.69 0.00 0.00 174.62 175.98 2a3j h GLN 82 N 2.00 0.00 0.00 4.92 -0.00 -1.87 -0.69 115.11 119.47 2a3j h GLN 82 Ca -0.24 0.00 0.01 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 0.28 0.00 -0.04 0.93 0.00 0.00 0.00 178.83 180.00 2a3j h GLU 83 N 0.00 -0.08 -0.07 1.69 5.08 -1.95 0.83 114.58 120.08 2a3j h GLU 83 Ca 0.33 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.61 2a3j h GLU 83 Cb 1.39 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2a3j h GLU 83 CO -0.00 -0.05 -0.29 0.77 -1.00 0.00 0.00 179.01 178.44 2a3j h SER 84 N -0.08 0.38 -0.40 1.42 0.02 -1.58 -2.97 113.55 110.34 2a3j h SER 84 Ca 0.02 -0.63 0.07 0.00 -0.84 0.00 0.00 61.79 60.41 2a3j h SER 84 Cb 0.10 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.46 2a3j h SER 84 CO -0.04 0.95 0.01 0.00 -1.14 0.00 0.00 176.83 176.60 2a3j h ALA 85 N 0.44 0.37 -0.50 3.77 0.00 -1.19 -0.60 119.26 121.54 2a3j h ALA 85 Ca -0.02 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2a3j h ALA 85 Cb 0.93 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2a3j h ALA 85 CO 0.06 -0.39 0.27 0.37 0.00 0.00 0.00 179.25 179.56 2a3j h GLN 86 N 0.11 0.51 -0.73 0.00 4.15 -0.89 0.18 115.11 118.45 2a3j h GLN 86 Ca 0.20 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 2a3j h GLN 86 Cb 0.28 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.82 2a3j h GLN 86 CO -0.32 0.34 0.45 0.00 -1.93 0.00 0.00 178.83 177.37 2a3j h ALA 87 N 1.26 1.43 -0.06 3.38 0.00 -1.19 -0.57 119.26 123.51 2a3j h ALA 87 Ca 0.22 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 2a3j h ALA 87 Cb 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2a3j h ALA 87 CO -0.13 0.50 -0.83 0.35 0.00 0.00 0.00 179.25 179.14 2a3j h PHE 88 N 0.99 0.69 -0.57 0.00 3.04 -0.33 -0.39 116.94 120.37 2a3j h PHE 88 Ca 0.26 -0.33 -0.11 0.00 3.98 0.00 0.00 57.97 61.77 2a3j h PHE 88 Cb -0.07 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.33 2a3j h PHE 88 CO 0.00 1.12 -0.09 0.28 -2.02 0.00 0.00 178.31 177.61 2a3j h VAL 89 N 0.31 1.27 0.00 1.41 2.07 -0.14 -1.56 116.25 119.61 2a3j h VAL 89 Ca -0.06 -1.25 -0.13 0.00 0.82 0.00 0.00 66.70 66.08 2a3j h VAL 89 Cb 1.43 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2a3j h VAL 89 CO 0.15 0.45 -0.69 1.05 0.02 0.00 0.00 177.57 178.54 2a3j h GLU 90 N 0.94 0.00 0.00 1.57 -0.00 -1.14 0.26 114.58 116.21 2a3j h GLU 90 Ca 0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.46 2a3j h GLU 90 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.40 2a3j h GLU 90 CO 0.05 0.57 -0.25 0.00 -0.00 0.00 0.00 179.01 179.37 2a3j h ALA 91 N 1.40 0.89 -0.00 1.06 0.00 -0.90 -3.24 119.26 118.47 2a3j h ALA 91 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2a3j h ALA 91 Cb 1.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2a3j h ALA 91 CO 0.08 0.32 -0.01 1.19 0.00 0.00 0.00 179.25 180.82 2a3j n PHE 92 N -3.24 0.00 -0.37 0.00 3.01 -0.60 -4.68 117.46 111.58 2a3j n PHE 92 Ca 0.02 0.00 0.31 0.00 1.01 0.00 0.00 57.45 58.79 2a3j n PHE 92 Cb 0.55 0.00 0.64 0.00 -0.01 0.00 0.00 39.48 40.66 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 0.47 0.17 -1.96 -1.08 5.75 -0.50 -2.49 115.11 115.47 2a3j h GLN 93 Ca 0.00 -0.01 -0.50 0.00 -0.15 0.00 0.00 58.65 57.99 2a3j h GLN 93 Cb 0.10 -0.04 -0.40 0.00 1.07 0.00 0.00 27.48 28.21 2a3j h GLN 93 CO 0.00 0.11 -1.07 0.41 -2.65 0.00 0.00 178.83 175.64 2a3j n GLY 94 N -1.61 3.92 3.06 2.39 0.00 -1.26 -4.83 105.19 106.87 2a3j n GLY 94 Ca 0.29 -1.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.75 1.25 -0.48 1.61 6.14 -0.94 -5.10 117.35 117.09 2a3j s TYR 95 Ca 0.41 -0.32 -0.27 0.00 0.64 0.00 0.00 57.07 57.52 2a3j s TYR 95 Cb 0.35 -0.86 -0.02 0.00 0.42 0.00 0.00 41.96 41.85 2a3j s TYR 95 CO -0.09 -0.11 1.78 -1.25 0.64 0.00 0.00 175.55 176.53 2a3j s PRO 96 N 0.06 3.00 0.03 4.97 0.04 -1.26 -4.39 135.00 137.46 2a3j s PRO 96 Ca -0.02 0.95 0.04 0.00 0.04 0.00 0.00 61.00 62.01 2a3j s PRO 96 Cb -0.09 -4.27 -0.02 0.00 0.04 0.00 0.00 34.50 30.16 2a3j s PRO 96 CO 0.01 -2.27 -0.12 0.12 0.04 0.00 0.00 177.00 174.78 2a3j s PHE 97 N 7.83 1.02 -1.65 0.56 5.36 -1.24 -4.75 117.98 125.11 2a3j s PHE 97 Ca 0.71 -0.35 0.00 0.00 -0.96 0.00 0.00 56.93 56.34 2a3j s PHE 97 Cb -0.16 -0.61 0.00 0.00 -0.34 0.00 0.00 43.02 41.91 2a3j s PHE 97 CO 0.27 0.01 0.00 1.04 -1.46 0.00 0.00 175.22 175.08 2a3j n GLN 98 N 1.96 -1.64 0.00 10.12 1.13 -1.26 -2.83 117.38 124.86 2a3j n GLN 98 Ca -0.18 0.92 0.00 0.00 -1.94 0.00 0.00 57.00 55.80 2a3j n GLN 98 Cb 0.55 -5.39 0.00 0.00 0.11 0.00 0.00 30.24 25.51 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 -0.61 2.79 0.00 1.08 0.00 -1.26 -4.60 105.19 102.59 2a3j n GLY 99 Ca -0.19 -0.58 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 -4.55 1.61 4.13 -1.13 -4.99 115.26 110.33 2a3j n ASN 100 Ca 0.00 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.87 2a3j n ASN 100 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 2a3j n ASN 100 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2a3j s PRO 101 N 0.00 2.68 -0.05 3.52 0.04 -1.26 -3.68 135.00 136.25 2a3j s PRO 101 Ca 0.00 0.66 0.05 0.00 0.04 0.00 0.00 61.00 61.75 2a3j s PRO 101 Cb 0.00 -4.37 -0.01 0.00 0.04 0.00 0.00 34.50 30.16 2a3j s PRO 101 CO 0.00 -2.66 -0.22 -1.17 0.04 0.00 0.00 177.00 172.99 2a3j s LEU 102 N 8.89 2.00 -0.04 -3.56 2.96 -1.26 -4.75 118.68 122.93 2a3j s LEU 102 Ca 0.68 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 54.18 2a3j s LEU 102 Cb -0.13 -1.19 -0.00 0.00 0.50 0.00 0.00 46.19 45.36 2a3j s LEU 102 CO 0.22 0.21 -0.14 0.54 -1.32 0.00 0.00 176.35 175.85 2a3j s VAL 103 N -0.09 1.17 -0.05 1.68 0.11 -1.26 -4.79 120.40 117.17 2a3j s VAL 103 Ca -0.03 -0.57 0.01 0.00 -2.93 0.00 0.00 61.98 58.45 2a3j s VAL 103 Cb -0.13 -1.01 0.02 0.00 -1.53 0.00 0.00 36.38 33.73 2a3j s VAL 103 CO 0.03 0.35 -0.04 0.27 -3.33 0.00 0.00 175.10 172.37 2a3j s ILE 104 N 0.09 0.52 0.15 7.04 -0.00 -1.26 -3.66 121.20 124.08 2a3j s ILE 104 Ca -0.03 -0.09 -0.06 0.00 -0.00 0.00 0.00 60.65 60.46 2a3j s ILE 104 Cb -0.10 -0.57 -0.02 0.00 -0.00 0.00 0.00 42.46 41.77 2a3j s ILE 104 CO 0.01 0.23 0.21 0.42 -0.00 0.00 0.00 174.94 175.81 2a3j s THR 105 N 1.08 0.08 0.29 8.37 -4.23 -1.17 -4.92 115.64 115.14 2a3j s THR 105 Ca -0.09 -1.54 -0.05 0.00 -1.18 0.00 0.00 61.69 58.84 2a3j s THR 105 Cb -0.14 -1.87 0.07 0.00 1.34 0.00 0.00 72.50 71.90 2a3j s THR 105 CO -0.01 -0.37 0.34 0.49 -0.54 0.00 0.00 174.62 174.53 2a3j n PHE 106 N -0.17 -3.77 -3.95 3.99 3.72 -1.26 -0.66 117.46 115.37 2a3j n PHE 106 Ca -0.07 -0.30 -0.12 0.00 -0.05 0.00 0.00 57.45 56.90 2a3j n PHE 106 Cb 0.63 -0.29 -0.00 0.00 -0.94 0.00 0.00 39.48 38.88 2a3j n PHE 106 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2a3j n SER 107 N -3.32 -1.81 -4.86 4.37 7.64 -0.77 -3.82 113.62 111.05 2a3j n SER 107 Ca 0.04 -2.80 -0.33 0.00 1.01 0.00 0.00 58.87 56.79 2a3j n SER 107 Cb 0.16 3.18 -0.06 0.00 -1.01 0.00 0.00 64.21 66.48 2a3j n SER 107 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2a3j s GLU 108 N -2.50 3.30 -0.46 1.43 2.02 -1.26 -4.60 118.70 116.63 2a3j s GLU 108 Ca 0.24 -0.38 0.07 0.00 0.02 0.00 0.00 54.97 54.92 2a3j s GLU 108 Cb -0.03 -3.01 0.24 0.00 0.10 0.00 0.00 34.13 31.43 2a3j s GLU 108 CO 0.17 0.67 0.55 0.25 0.02 0.00 0.00 175.26 176.92 2a3j n THR 109 N 1.06 -0.02 -0.85 3.63 -2.24 -1.26 -4.97 114.28 109.63 2a3j n THR 109 Ca -0.12 -4.24 -0.19 0.00 -2.27 0.00 0.00 64.05 57.23 2a3j n THR 109 Cb 0.53 -1.97 0.16 0.00 -2.10 0.00 0.00 70.33 66.95 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 1.44 -2.40 0.00 -0.78 -0.04 -1.26 -4.98 135.00 126.99 2a3j n PRO 110 Ca 0.24 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.57 2a3j n PRO 110 Cb 0.49 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 2a3j n PRO 110 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2a3j n GLN 111 N -3.66 0.00 0.25 0.54 7.27 -1.26 -4.95 117.38 115.57 2a3j n GLN 111 Ca 0.10 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.27 2a3j n GLN 111 Cb 0.38 0.00 0.65 0.00 2.41 0.00 0.00 30.24 33.68 2a3j n GLN 111 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 2a3j h SER 112 N 0.00 0.00 -0.60 1.69 0.02 -1.98 -2.79 113.55 109.89 2a3j h SER 112 Ca 0.00 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.06 2a3j h SER 112 Cb 0.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 2a3j h SER 112 CO 0.00 0.14 0.13 0.06 -1.14 0.00 0.00 176.83 176.03 2a3j h GLN 113 N 0.00 0.26 0.00 3.45 3.07 -2.02 -0.68 115.11 119.19 2a3j h GLN 113 Ca -0.00 -0.02 -0.12 0.00 0.09 0.00 0.00 58.65 58.60 2a3j h GLN 113 Cb 0.33 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.81 2a3j h GLN 113 CO 0.02 0.17 -0.63 -0.39 0.09 0.00 0.00 178.83 178.09 2a3j h VAL 114 N 0.27 0.89 0.00 1.86 -1.51 -1.92 -3.23 116.25 112.61 2a3j h VAL 114 Ca 0.31 -2.28 -0.02 0.00 -1.23 0.00 0.00 66.70 63.48 2a3j h VAL 114 Cb 0.46 2.42 -0.00 0.00 -2.13 0.00 0.00 31.29 32.03 2a3j h VAL 114 CO -0.39 0.51 -0.10 0.00 -1.23 0.00 0.00 177.57 176.35 2a3j h ALA 115 N 1.46 1.35 -1.01 5.19 0.00 -0.91 -2.51 119.26 122.82 2a3j h ALA 115 Ca -0.02 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2a3j h ALA 115 Cb 1.43 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 2a3j h ALA 115 CO 0.07 0.13 0.67 1.49 0.00 0.00 0.00 179.25 181.61 2a3j h GLU 116 N 0.00 1.32 -0.02 0.00 4.57 -1.35 -3.51 114.58 115.59 2a3j h GLU 116 Ca -0.00 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2a3j h GLU 116 Cb 0.28 -0.30 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 2a3j h GLU 116 CO 0.01 0.87 0.00 -3.47 -1.18 0.00 0.00 179.01 175.25