#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 0.92 -2.82 0.04 -1.26 -5.00 135.00 130.45 2a3j s PRO 23 Ca 0.00 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 2a3j s PRO 23 Cb 0.00 -4.10 0.14 0.00 0.04 0.00 0.00 34.50 30.58 2a3j s PRO 23 CO 0.00 -1.57 1.09 -1.25 0.04 0.00 0.00 177.00 175.31 2a3j s PRO 24 N 5.12 1.10 0.01 0.56 0.04 -1.26 -5.08 135.00 135.49 2a3j s PRO 24 Ca 0.73 0.76 -0.23 0.00 0.04 0.00 0.00 61.00 62.31 2a3j s PRO 24 Cb -0.22 -1.80 0.05 0.00 0.04 0.00 0.00 34.50 32.57 2a3j s PRO 24 CO 0.32 -2.33 0.51 -3.38 0.04 0.00 0.00 177.00 172.15 2a3j s HIS 25 N -2.94 -0.42 0.11 0.56 -3.43 -1.26 -5.09 115.29 102.83 2a3j s HIS 25 Ca 0.64 0.56 0.00 0.00 -0.80 0.00 0.00 55.06 55.46 2a3j s HIS 25 Cb -0.18 0.30 0.00 0.00 -1.43 0.00 0.00 32.58 31.27 2a3j s HIS 25 CO 0.57 -0.58 0.00 0.25 -2.00 0.00 0.00 174.74 172.98 2a3j n THR 26 N 0.70 0.41 -4.05 -5.38 -2.24 -1.26 -5.13 114.28 97.33 2a3j n THR 26 Ca -0.19 0.14 -0.08 0.00 -2.27 0.00 0.00 64.05 61.65 2a3j n THR 26 Cb 0.59 -1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 67.61 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 0.55 0.88 -0.78 -1.05 -1.26 -5.16 118.70 109.88 2a3j s GLU 27 Ca 0.00 -1.06 -0.11 0.00 -0.15 0.00 0.00 54.97 53.65 2a3j s GLU 27 Cb 0.00 0.19 0.12 0.00 -0.44 0.00 0.00 34.13 34.00 2a3j s GLU 27 CO 0.00 -0.10 1.09 -1.25 0.95 0.00 0.00 175.26 175.95 2a3j s PRO 28 N -3.31 1.35 -0.29 -4.83 0.04 -1.26 -5.07 135.00 121.63 2a3j s PRO 28 Ca 0.01 0.85 -0.00 0.00 0.04 0.00 0.00 61.00 61.90 2a3j s PRO 28 Cb 0.03 -1.82 0.18 0.00 0.04 0.00 0.00 34.50 32.94 2a3j s PRO 28 CO -0.08 -2.19 0.57 -1.12 0.04 0.00 0.00 177.00 174.22 2a3j s SER 29 N -3.42 -1.18 -0.14 6.66 0.01 -1.26 -4.72 113.70 109.65 2a3j s SER 29 Ca 0.63 0.66 0.11 0.00 1.31 0.00 0.00 55.95 58.66 2a3j s SER 29 Cb -0.18 1.99 0.56 0.00 0.21 0.00 0.00 66.02 68.60 2a3j s SER 29 CO 0.57 -0.27 1.37 0.00 0.41 0.00 0.00 173.24 175.32 2a3j n GLN 30 N 5.42 3.49 -4.02 12.44 6.02 -1.26 -3.10 117.38 136.36 2a3j n GLN 30 Ca -0.00 -2.15 -0.11 0.00 -0.01 0.00 0.00 57.00 54.73 2a3j n GLN 30 Cb 0.51 -1.94 -0.11 0.00 1.02 0.00 0.00 30.24 29.72 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 -2.08 0.31 -0.02 5.09 -7.23 -1.26 -0.11 120.40 115.11 2a3j s VAL 31 Ca 0.38 -0.92 0.05 0.00 -1.81 0.00 0.00 61.98 59.67 2a3j s VAL 31 Cb 0.27 -0.41 -0.01 0.00 0.56 0.00 0.00 36.38 36.79 2a3j s VAL 31 CO 0.13 -0.40 -0.16 0.68 -0.31 0.00 0.00 175.10 175.04 2a3j s VAL 32 N -1.31 1.30 -0.29 1.32 -7.23 -0.52 -2.28 120.40 111.40 2a3j s VAL 32 Ca -0.12 -0.70 -0.08 0.00 -1.81 0.00 0.00 61.98 59.28 2a3j s VAL 32 Cb -0.09 -1.09 -0.01 0.00 0.56 0.00 0.00 36.38 35.75 2a3j s VAL 32 CO -0.00 0.37 0.09 -0.22 -0.31 0.00 0.00 175.10 175.03 2a3j s LEU 33 N -0.31 3.79 0.06 1.32 2.96 0.85 -0.80 118.68 126.56 2a3j s LEU 33 Ca 0.05 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 2a3j s LEU 33 Cb -0.07 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 2a3j s LEU 33 CO -0.00 -0.15 0.06 0.27 -1.32 0.00 0.00 176.35 175.21 2a3j s ILE 34 N 1.56 4.46 0.15 6.68 -0.00 0.12 -3.20 121.20 130.96 2a3j s ILE 34 Ca 0.04 -0.74 0.01 0.00 -0.00 0.00 0.00 60.65 59.96 2a3j s ILE 34 Cb -0.17 -3.12 -0.00 0.00 -0.00 0.00 0.00 42.46 39.17 2a3j s ILE 34 CO 0.04 0.17 0.18 0.35 -0.00 0.00 0.00 174.94 175.68 2a3j n THR 35 N 0.63 0.00 -1.83 8.37 -2.24 -1.24 -1.48 114.28 116.49 2a3j n THR 35 Ca -0.10 -0.86 -0.16 0.00 -2.27 0.00 0.00 64.05 60.66 2a3j n THR 35 Cb 0.52 0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 69.19 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 -4.88 -4.80 3.42 5.15 -1.22 -4.20 115.26 106.64 2a3j n ASN 36 Ca 0.01 0.22 -0.38 0.00 -0.60 0.00 0.00 54.58 53.83 2a3j n ASN 36 Cb 0.25 -3.89 -0.06 0.00 -0.53 0.00 0.00 39.78 35.56 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 -2.69 5.05 -0.15 -1.44 -4.36 -1.16 -4.90 121.20 111.55 2a3j s ILE 37 Ca 0.00 0.90 -0.29 0.00 -0.26 0.00 0.00 60.65 61.00 2a3j s ILE 37 Cb 0.00 -3.76 -0.01 0.00 1.25 0.00 0.00 42.46 39.94 2a3j s ILE 37 CO 0.00 0.50 1.23 0.21 0.24 0.00 0.00 174.94 177.12 2a3j s ASN 38 N -0.54 6.98 0.00 4.36 2.47 -1.26 -4.52 114.94 122.43 2a3j s ASN 38 Ca 0.25 1.69 0.15 0.00 0.42 0.00 0.00 52.86 55.36 2a3j s ASN 38 Cb -0.16 -2.54 0.72 0.00 -1.45 0.00 0.00 41.25 37.81 2a3j s ASN 38 CO 0.13 -0.72 1.42 -0.81 -3.72 0.00 0.00 177.10 173.39 2a3j n PRO 39 N 6.34 0.17 -0.08 0.43 -0.04 -1.26 -3.31 135.00 137.25 2a3j n PRO 39 Ca 0.13 0.17 0.25 0.00 -0.04 0.00 0.00 63.50 64.01 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 -5.75 0.54 5.08 -1.91 -3.39 114.58 109.15 2a3j h GLU 40 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 2a3j h GLU 40 Cb 0.16 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.33 2a3j h GLU 40 CO 0.00 0.00 -0.24 0.54 -1.00 0.00 0.00 179.01 178.31 2a3j s VAL 41 N -4.83 5.18 0.33 3.13 0.11 -1.21 -5.06 120.40 118.05 2a3j s VAL 41 Ca -0.05 0.75 -0.28 0.00 -2.93 0.00 0.00 61.98 59.47 2a3j s VAL 41 Cb 0.19 -3.70 -0.10 0.00 -1.53 0.00 0.00 36.38 31.24 2a3j s VAL 41 CO 0.68 0.45 1.22 -2.16 -3.33 0.00 0.00 175.10 171.96 2a3j s PRO 42 N -0.12 4.37 0.46 1.54 0.04 -1.26 -4.71 135.00 135.31 2a3j s PRO 42 Ca 0.22 2.02 0.28 0.00 0.04 0.00 0.00 61.00 63.55 2a3j s PRO 42 Cb -0.15 -3.02 1.33 0.00 0.04 0.00 0.00 34.50 32.71 2a3j s PRO 42 CO 0.09 -0.11 1.74 -0.22 0.04 0.00 0.00 177.00 178.55 2a3j h LYS 43 N 3.33 0.19 -0.13 4.56 3.64 -1.96 0.39 116.57 126.60 2a3j h LYS 43 Ca -0.48 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.93 2a3j h LYS 43 Cb 1.22 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 2a3j h LYS 43 CO 0.65 0.12 -0.34 0.93 -2.27 0.00 0.00 179.45 178.55 2a3j h GLU 44 N 0.19 -0.40 0.15 1.90 5.08 -1.99 0.40 114.58 119.92 2a3j h GLU 44 Ca 0.65 0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.76 2a3j h GLU 44 Cb 2.05 0.09 0.01 0.00 0.50 0.00 0.00 28.75 31.40 2a3j h GLU 44 CO -0.22 -0.27 -1.31 0.87 -1.00 0.00 0.00 179.01 177.08 2a3j h LYS 45 N -0.41 0.31 -0.50 2.33 1.57 -1.44 -3.13 116.57 115.31 2a3j h LYS 45 Ca 0.09 -0.54 0.09 0.00 -1.87 0.00 0.00 60.65 58.43 2a3j h LYS 45 Cb 0.56 0.20 -0.08 0.00 0.08 0.00 0.00 32.23 33.00 2a3j h LYS 45 CO -0.36 1.26 0.04 1.25 -0.57 0.00 0.00 179.45 181.06 2a3j h LEU 46 N -0.21 -0.13 -0.08 2.94 5.85 -0.23 0.12 115.31 123.57 2a3j h LEU 46 Ca -0.26 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2a3j h LEU 46 Cb 1.83 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 43.03 2a3j h LEU 46 CO 0.13 -0.03 0.02 -0.61 -0.34 0.00 0.00 178.44 177.61 2a3j h GLN 47 N 0.16 0.13 -0.43 1.25 4.15 -0.34 -1.71 115.11 118.32 2a3j h GLN 47 Ca 0.25 -0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.72 2a3j h GLN 47 Cb 0.36 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 2a3j h GLN 47 CO -0.38 0.29 0.30 0.00 -1.93 0.00 0.00 178.83 177.10 2a3j h ALA 48 N 0.83 2.08 0.01 3.38 0.00 -1.34 -2.16 119.26 122.05 2a3j h ALA 48 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2a3j h ALA 48 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2a3j h ALA 48 CO -0.00 -0.17 -0.00 -0.07 0.00 0.00 0.00 179.25 179.01 2a3j h LEU 49 N 0.25 -0.01 -2.01 0.00 -0.00 -0.46 -2.75 115.31 110.34 2a3j h LEU 49 Ca 0.20 -0.60 0.14 0.00 -0.00 0.00 0.00 57.88 57.62 2a3j h LEU 49 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.09 2a3j h LEU 49 CO -0.04 0.60 0.37 -0.07 -0.00 0.00 0.00 178.44 179.30 2a3j h LEU 50 N -0.62 0.00 -0.02 1.67 3.38 -0.81 -1.56 115.31 117.35 2a3j h LEU 50 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2a3j h LEU 50 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2a3j h LEU 50 CO 0.00 0.00 -0.10 0.22 0.09 0.00 0.00 178.44 178.65 2a3j h TYR 51 N 0.00 0.15 -0.23 1.13 5.03 -1.37 -2.24 116.97 119.45 2a3j h TYR 51 Ca 0.23 -0.06 0.06 0.00 2.58 0.00 0.00 58.73 61.54 2a3j h TYR 51 Cb 0.96 -0.02 -0.07 0.00 1.55 0.00 0.00 36.73 39.15 2a3j h TYR 51 CO 0.00 0.75 -0.26 0.00 -1.32 0.00 0.00 178.16 177.33 2a3j h ALA 52 N 0.37 -0.18 -0.63 1.82 0.00 -0.99 0.23 119.26 119.88 2a3j h ALA 52 Ca -0.01 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2a3j h ALA 52 Cb 0.76 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2a3j h ALA 52 CO 0.02 -0.69 0.23 -0.07 0.00 0.00 0.00 179.25 178.74 2a3j h LEU 53 N -0.28 0.85 0.36 0.00 3.38 -1.56 -2.27 115.31 115.79 2a3j h LEU 53 Ca 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2a3j h LEU 53 Cb 0.48 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2a3j h LEU 53 CO -0.38 0.77 -0.17 0.00 0.09 0.00 0.00 178.44 178.75 2a3j h ALA 54 N 1.35 -0.48 -0.39 1.53 0.00 -0.60 -2.75 119.26 117.93 2a3j h ALA 54 Ca 0.21 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2a3j h ALA 54 Cb 0.20 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2a3j h ALA 54 CO -0.02 -0.71 0.27 0.66 0.00 0.00 0.00 179.25 179.46 2a3j h SER 55 N -0.61 0.13 -0.01 0.00 4.64 -0.48 0.12 113.55 117.34 2a3j h SER 55 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2a3j h SER 55 Cb 0.44 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2a3j h SER 55 CO 0.08 0.08 0.03 0.28 -0.87 0.00 0.00 176.83 176.43 2a3j h SER 56 N 0.15 0.00 0.00 4.97 0.02 -1.09 -3.35 113.55 114.24 2a3j h SER 56 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2a3j h SER 56 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2a3j h SER 56 CO -0.02 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.67 2a3j n GLN 57 N -3.24 0.00 -4.63 3.45 1.13 0.23 -5.11 117.38 109.21 2a3j n GLN 57 Ca -0.03 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.75 2a3j n GLN 57 Cb 0.11 -0.10 -0.10 0.00 0.11 0.00 0.00 30.24 30.25 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 -2.59 2.59 0.32 1.08 0.00 -0.18 -4.98 107.32 103.58 2a3j s GLY 58 Ca 0.00 -1.75 -0.27 0.00 0.00 0.00 0.00 44.72 42.71 2a3j s GLY 58 CO 0.00 -2.08 1.00 0.99 0.00 0.00 0.00 173.10 173.01 2a3j s ASP 59 N -3.72 7.22 -0.14 1.64 1.01 -1.26 -3.34 116.67 118.08 2a3j s ASP 59 Ca 0.27 1.97 -0.04 0.00 0.71 0.00 0.00 52.55 55.46 2a3j s ASP 59 Cb 0.07 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2a3j s ASP 59 CO 0.14 -0.16 0.01 -0.63 0.21 0.00 0.00 175.17 174.74 2a3j s ILE 60 N -1.50 4.39 -0.13 0.77 1.09 -1.26 -1.43 121.20 123.14 2a3j s ILE 60 Ca 0.50 -0.19 0.20 0.00 -1.10 0.00 0.00 60.65 60.05 2a3j s ILE 60 Cb -0.23 -2.92 -0.29 0.00 -1.06 0.00 0.00 42.46 37.97 2a3j s ILE 60 CO 0.29 0.53 0.25 0.18 -0.10 0.00 0.00 174.94 176.09 2a3j n LEU 61 N 2.98 0.00 -3.36 2.97 4.77 -0.29 -4.90 117.00 119.16 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 0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 41.85 2a3j n LEU 61 CO 0.32 0.28 0.99 -0.62 -1.33 0.00 0.00 177.39 177.04 2a3j s ASP 62 N -5.07 -0.01 -0.38 -1.43 2.15 -1.21 -5.04 116.67 105.68 2a3j s ASP 62 Ca -0.09 0.01 -0.12 0.00 0.43 0.00 0.00 52.55 52.78 2a3j s ASP 62 Cb 0.09 1.01 0.02 0.00 -0.30 0.00 0.00 42.92 43.74 2a3j s ASP 62 CO 0.86 -0.00 0.22 -0.63 -0.17 0.00 0.00 175.17 175.45 2a3j s ILE 63 N 1.58 4.72 0.01 4.11 1.01 -1.26 -1.28 121.20 130.09 2a3j s ILE 63 Ca -0.03 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 2a3j s ILE 63 Cb -0.01 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 2a3j s ILE 63 CO -0.13 -0.22 0.29 -0.69 0.00 0.00 0.00 174.94 174.18 2a3j s VAL 64 N 1.59 5.27 -0.01 2.92 1.01 0.10 -4.99 120.40 126.29 2a3j s VAL 64 Ca 0.03 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.26 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 0.39 0.00 -0.69 0.00 0.00 0.00 175.10 174.87 2a3j s VAL 65 N -1.28 0.06 0.00 2.92 1.01 -1.26 -0.15 120.40 121.70 2a3j s VAL 65 Ca 0.27 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2a3j s VAL 65 Cb -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.14 2a3j s VAL 65 CO 0.15 0.06 0.00 -0.67 0.00 0.00 0.00 175.10 174.64 2a3j n ASP 66 N 3.52 -0.70 -0.85 3.32 2.03 -1.14 -4.86 116.55 117.88 2a3j n ASP 66 Ca -0.19 -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 0.17 0.00 -0.72 0.00 0.00 41.12 41.13 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 2.42 -3.64 -2.67 -0.00 -1.26 -4.93 117.00 106.91 2a3j n LEU 67 Ca 0.00 -1.21 -0.29 0.00 -0.00 0.00 0.00 56.01 54.51 2a3j n LEU 67 Cb 0.00 -0.36 0.04 0.00 -0.00 0.00 0.00 43.42 43.10 2a3j n LEU 67 CO 0.00 0.47 -0.07 -1.20 -0.00 0.00 0.00 177.39 176.59 2a3j n SER 68 N 0.48 -5.09 -3.03 1.45 7.64 -1.26 -4.97 113.62 108.85 2a3j n SER 68 Ca 0.13 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 59.03 2a3j n SER 68 Cb 0.44 -3.61 0.00 0.00 -1.01 0.00 0.00 64.21 60.04 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 -2.77 -1.56 -0.01 6.43 -0.08 -1.26 -4.84 116.55 112.47 2a3j n ASP 69 Ca -0.11 -0.09 0.08 0.00 -1.51 0.00 0.00 54.79 53.16 2a3j n ASP 69 Cb 0.60 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.94 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 -2.61 1.31 0.00 1.67 8.00 -1.26 -4.24 116.55 119.43 2a3j n ASP 70 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2a3j n ASP 70 Cb 0.00 1.67 0.00 0.00 -0.02 0.00 0.00 41.12 42.77 2a3j n ASP 70 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2a3j n ASN 71 N -2.00 0.10 0.00 -2.24 0.23 -1.26 -4.88 115.26 105.21 2a3j n ASN 71 Ca -0.02 -0.51 0.00 0.00 -0.53 0.00 0.00 54.58 53.52 2a3j n ASN 71 Cb 0.40 0.79 0.00 0.00 -2.08 0.00 0.00 39.78 38.89 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 -0.79 0.00 -3.02 0.53 7.64 -1.26 -5.07 113.62 111.64 2a3j n SER 72 Ca 0.00 0.02 -0.06 0.00 1.01 0.00 0.00 58.87 59.84 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 -1.70 3.53 0.23 0.00 -1.26 -4.57 105.19 103.30 2a3j n GLY 73 Ca 0.00 0.49 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.63 1.85 0.15 1.61 -2.85 -1.26 -2.98 119.74 114.63 2a3j s LYS 74 Ca 0.08 -1.63 -0.24 0.00 -1.00 0.00 0.00 55.97 53.19 2a3j s LYS 74 Cb -0.01 0.46 0.08 0.00 -2.06 0.00 0.00 37.83 36.29 2a3j s LYS 74 CO 0.50 -0.77 1.06 0.00 0.10 0.00 0.00 175.35 176.23 2a3j s ALA 75 N -3.20 -1.72 -0.08 0.59 0.00 -0.55 -2.88 121.76 113.92 2a3j s ALA 75 Ca 0.28 -0.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 2a3j s ALA 75 Cb -0.01 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.87 2a3j s ALA 75 CO 0.17 -1.07 0.19 0.71 0.00 0.00 0.00 175.76 175.76 2a3j s TYR 76 N -2.43 -0.23 -0.30 0.00 1.51 0.79 -0.70 117.35 115.98 2a3j s TYR 76 Ca 0.20 0.63 -0.06 0.00 -1.01 0.00 0.00 57.07 56.82 2a3j s TYR 76 Cb -0.02 -0.07 0.02 0.00 -0.11 0.00 0.00 41.96 41.79 2a3j s TYR 76 CO 0.03 -0.22 0.07 0.42 -1.11 0.00 0.00 175.55 174.75 2a3j s ILE 77 N 1.48 3.74 -0.16 2.71 1.01 0.02 0.03 121.20 130.04 2a3j s ILE 77 Ca -0.06 -0.91 -0.23 0.00 0.00 0.00 0.00 60.65 59.45 2a3j s ILE 77 Cb -0.11 -3.00 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 2a3j s ILE 77 CO -0.07 -0.00 0.70 -0.69 0.00 0.00 0.00 174.94 174.88 2a3j s VAL 78 N 1.44 4.99 0.53 2.92 1.01 -0.40 -1.44 120.40 129.44 2a3j s VAL 78 Ca 0.01 1.38 0.06 0.00 0.00 0.00 0.00 61.98 63.43 2a3j s VAL 78 Cb -0.18 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 32.21 2a3j s VAL 78 CO 0.02 0.12 0.45 -0.36 0.00 0.00 0.00 175.10 175.33 2a3j s PHE 79 N 1.72 1.78 0.20 5.22 0.08 0.85 -1.14 117.98 126.68 2a3j s PHE 79 Ca 0.33 -0.77 -0.10 0.00 0.12 0.00 0.00 56.93 56.52 2a3j s PHE 79 Cb -0.16 -2.00 0.13 0.00 -0.57 0.00 0.00 43.02 40.42 2a3j s PHE 79 CO 0.13 -0.51 1.81 0.00 -0.10 0.00 0.00 175.22 176.55 2a3j h ALA 80 N 0.72 0.92 -2.43 5.36 0.00 -1.48 -3.41 119.26 118.92 2a3j h ALA 80 Ca -0.36 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.59 2a3j h ALA 80 Cb 1.29 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 2a3j h ALA 80 CO 0.55 0.43 0.45 0.99 0.00 0.00 0.00 179.25 181.67 2a3j s THR 81 N -5.84 0.00 0.55 0.00 2.01 -1.26 -4.92 115.64 106.18 2a3j s THR 81 Ca -0.13 -0.71 0.29 0.00 0.31 0.00 0.00 61.69 61.45 2a3j s THR 81 Cb 0.14 -2.02 0.44 0.00 0.01 0.00 0.00 72.50 71.07 2a3j s THR 81 CO 0.80 0.00 1.92 -0.61 -0.69 0.00 0.00 174.62 176.04 2a3j h GLN 82 N 2.00 0.00 0.01 4.92 -0.00 -1.87 -0.71 115.11 119.46 2a3j h GLN 82 Ca -0.23 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.42 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 0.25 0.00 -0.05 0.93 0.00 0.00 0.00 178.83 179.97 2a3j h GLU 83 N 0.00 -0.08 -0.07 1.69 4.39 -1.95 0.48 114.58 119.03 2a3j h GLU 83 Ca 0.33 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.95 2a3j h GLU 83 Cb 1.38 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 2a3j h GLU 83 CO -0.00 -0.06 -0.29 0.77 -1.16 0.00 0.00 179.01 178.27 2a3j h SER 84 N -0.09 0.38 0.07 1.42 0.02 -1.58 -2.91 113.55 110.85 2a3j h SER 84 Ca 0.01 -0.64 0.02 0.00 -0.84 0.00 0.00 61.79 60.35 2a3j h SER 84 Cb 0.10 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 2a3j h SER 84 CO -0.04 0.95 -0.37 0.00 -1.14 0.00 0.00 176.83 176.23 2a3j h ALA 85 N 0.43 -0.61 -0.63 3.77 0.00 -1.18 -0.72 119.26 120.32 2a3j h ALA 85 Ca -0.02 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.96 2a3j h ALA 85 Cb 0.93 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 2a3j h ALA 85 CO 0.06 -0.91 0.43 0.37 0.00 0.00 0.00 179.25 179.19 2a3j h GLN 86 N -0.57 0.39 -0.28 0.00 4.15 -1.00 0.27 115.11 118.07 2a3j h GLN 86 Ca 0.04 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 2a3j h GLN 86 Cb 0.62 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 2a3j h GLN 86 CO -0.25 0.26 0.04 0.00 -1.93 0.00 0.00 178.83 176.95 2a3j h ALA 87 N 1.68 0.37 -0.04 3.38 0.00 -0.99 -0.54 119.26 123.12 2a3j h ALA 87 Ca 0.30 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 2a3j h ALA 87 Cb 0.62 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2a3j h ALA 87 CO -0.08 0.07 -0.77 0.35 0.00 0.00 0.00 179.25 178.82 2a3j h PHE 88 N 0.28 0.40 -0.49 0.00 3.04 -0.17 -0.38 116.94 119.61 2a3j h PHE 88 Ca 0.08 -0.19 -0.10 0.00 3.98 0.00 0.00 57.97 61.74 2a3j h PHE 88 Cb 0.35 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 2a3j h PHE 88 CO 0.02 0.94 -0.10 0.28 -2.02 0.00 0.00 178.31 177.44 2a3j h VAL 89 N 0.19 1.27 0.00 1.41 2.07 -0.42 -1.56 116.25 119.20 2a3j h VAL 89 Ca -0.03 -1.23 -0.12 0.00 0.82 0.00 0.00 66.70 66.14 2a3j h VAL 89 Cb 1.34 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2a3j h VAL 89 CO 0.12 0.43 -0.69 1.05 0.02 0.00 0.00 177.57 178.50 2a3j h GLU 90 N 0.79 0.00 0.00 1.57 -0.00 -1.11 0.25 114.58 116.08 2a3j h GLU 90 Ca 0.13 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 59.42 2a3j h GLU 90 Cb 0.65 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.39 2a3j h GLU 90 CO 0.04 0.47 -0.32 0.00 -0.00 0.00 0.00 179.01 179.21 2a3j h ALA 91 N 1.48 0.87 0.00 1.06 0.00 -0.93 -3.25 119.26 118.49 2a3j h ALA 91 Ca -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2a3j h ALA 91 Cb 1.43 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2a3j h ALA 91 CO 0.06 0.39 0.00 1.19 0.00 0.00 0.00 179.25 180.90 2a3j n PHE 92 N -3.29 0.00 -0.34 0.00 3.01 -0.60 -4.74 117.46 111.50 2a3j n PHE 92 Ca 0.01 -0.34 0.30 0.00 1.01 0.00 0.00 57.45 58.43 2a3j n PHE 92 Cb 0.57 -0.03 0.63 0.00 -0.01 0.00 0.00 39.48 40.64 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 0.18 -2.03 -1.08 5.75 -0.53 -2.79 115.11 114.61 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 0.47 -0.04 -0.40 0.00 1.07 0.00 0.00 27.48 28.57 2a3j h GLN 93 CO 0.00 0.12 -1.13 0.41 -2.65 0.00 0.00 178.83 175.58 2a3j n GLY 94 N -1.61 3.74 3.14 2.39 0.00 -1.26 -4.75 105.19 106.84 2a3j n GLY 94 Ca 0.27 -1.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.39 1.66 -0.45 1.61 6.14 -1.05 -5.07 117.35 117.80 2a3j s TYR 95 Ca 0.40 -0.44 -0.28 0.00 0.64 0.00 0.00 57.07 57.40 2a3j s TYR 95 Cb 0.32 -1.11 -0.01 0.00 0.42 0.00 0.00 41.96 41.57 2a3j s TYR 95 CO -0.09 -0.13 1.76 -1.25 0.64 0.00 0.00 175.55 176.48 2a3j s PRO 96 N -0.06 3.11 -0.03 4.97 0.04 -1.25 -4.23 135.00 137.56 2a3j s PRO 96 Ca -0.01 1.05 0.02 0.00 0.04 0.00 0.00 61.00 62.10 2a3j s PRO 96 Cb -0.10 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2a3j s PRO 96 CO 0.01 -2.13 -0.08 0.12 0.04 0.00 0.00 177.00 174.96 2a3j s PHE 97 N 7.46 0.90 -1.04 0.56 5.36 -1.25 -4.77 117.98 125.19 2a3j s PHE 97 Ca 0.72 -0.22 -0.00 0.00 -0.96 0.00 0.00 56.93 56.47 2a3j s PHE 97 Cb -0.17 -0.65 0.00 0.00 -0.34 0.00 0.00 43.02 41.86 2a3j s PHE 97 CO 0.29 -0.10 0.02 1.04 -1.46 0.00 0.00 175.22 175.01 2a3j n GLN 98 N 3.32 -2.30 0.00 10.12 1.13 -1.26 -3.38 117.38 125.01 2a3j n GLN 98 Ca -0.18 0.58 0.00 0.00 -1.94 0.00 0.00 57.00 55.46 2a3j n GLN 98 Cb 0.54 -5.19 0.00 0.00 0.11 0.00 0.00 30.24 25.71 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 -0.81 1.05 0.00 1.08 0.00 -1.26 -4.68 105.19 100.56 2a3j n GLY 99 Ca -0.14 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.22 -4.97 115.26 111.27 2a3j n ASN 100 Ca 0.00 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.58 2a3j n ASN 100 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 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 2.84 -0.17 1.20 0.04 -1.26 -3.87 135.00 133.78 2a3j s PRO 101 Ca 0.00 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2a3j s PRO 101 Cb 0.00 -4.32 0.01 0.00 0.04 0.00 0.00 34.50 30.22 2a3j s PRO 101 CO 0.00 -2.47 -0.16 -1.17 0.04 0.00 0.00 177.00 173.25 2a3j s LEU 102 N 8.37 2.39 -0.13 -3.56 0.20 -1.26 -4.83 118.68 119.86 2a3j s LEU 102 Ca 0.70 -0.53 0.01 0.00 0.69 0.00 0.00 54.13 55.00 2a3j s LEU 102 Cb -0.15 -1.55 -0.01 0.00 -0.43 0.00 0.00 46.19 44.06 2a3j s LEU 102 CO 0.24 0.04 -0.17 0.54 -0.29 0.00 0.00 176.35 176.72 2a3j s VAL 103 N 1.06 2.66 -0.06 1.68 0.11 -1.26 -4.62 120.40 119.97 2a3j s VAL 103 Ca -0.01 -0.79 -0.00 0.00 -2.93 0.00 0.00 61.98 58.25 2a3j s VAL 103 Cb -0.14 -2.09 0.02 0.00 -1.53 0.00 0.00 36.38 32.64 2a3j s VAL 103 CO -0.05 0.53 -0.02 0.27 -3.33 0.00 0.00 175.10 172.50 2a3j s ILE 104 N 0.49 0.46 0.21 7.04 -0.00 -1.26 -3.68 121.20 124.45 2a3j s ILE 104 Ca -0.11 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.65 60.46 2a3j s ILE 104 Cb -0.16 -0.55 -0.02 0.00 -0.00 0.00 0.00 42.46 41.73 2a3j s ILE 104 CO 0.05 0.24 0.27 0.42 -0.00 0.00 0.00 174.94 175.92 2a3j s THR 105 N 1.41 0.02 0.58 8.37 -4.23 -1.20 -4.92 115.64 115.68 2a3j s THR 105 Ca -0.03 -1.70 -0.07 0.00 -1.18 0.00 0.00 61.69 58.71 2a3j s THR 105 Cb -0.13 -2.27 0.13 0.00 1.34 0.00 0.00 72.50 71.57 2a3j s THR 105 CO -0.03 -0.08 0.79 0.49 -0.54 0.00 0.00 174.62 175.26 2a3j n PHE 106 N -0.29 -3.68 -3.83 3.99 3.01 -1.26 -0.10 117.46 115.30 2a3j n PHE 106 Ca -0.01 -0.91 -0.08 0.00 1.01 0.00 0.00 57.45 57.46 2a3j n PHE 106 Cb 0.64 -0.60 -0.02 0.00 -0.01 0.00 0.00 39.48 39.49 2a3j n PHE 106 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2a3j n SER 107 N -3.34 -0.71 -4.71 4.37 2.88 -0.97 -4.07 113.62 107.08 2a3j n SER 107 Ca 0.11 -1.99 -0.33 0.00 -1.33 0.00 0.00 58.87 55.32 2a3j n SER 107 Cb 0.38 1.33 -0.08 0.00 -0.75 0.00 0.00 64.21 65.09 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 -2.42 2.90 -0.53 -1.46 8.01 -1.26 -4.69 118.70 119.25 2a3j s GLU 108 Ca 0.15 -0.53 0.06 0.00 0.01 0.00 0.00 54.97 54.67 2a3j s GLU 108 Cb -0.01 -2.75 0.22 0.00 -4.31 0.00 0.00 34.13 27.29 2a3j s GLU 108 CO 0.11 0.65 0.56 0.25 0.01 0.00 0.00 175.26 176.84 2a3j n THR 109 N 1.53 0.67 -0.55 3.63 -2.24 -1.26 -5.04 114.28 111.02 2a3j n THR 109 Ca -0.15 -4.48 -0.03 0.00 -2.27 0.00 0.00 64.05 57.12 2a3j n THR 109 Cb 0.53 -2.00 0.03 0.00 -2.10 0.00 0.00 70.33 66.79 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 1.55 -1.26 -2.16 -0.78 -0.04 -1.26 -4.33 135.00 126.72 2a3j n PRO 110 Ca 0.25 -0.19 -0.18 0.00 -0.04 0.00 0.00 63.50 63.35 2a3j n PRO 110 Cb 0.45 -0.18 -0.02 0.00 -0.04 0.00 0.00 33.50 33.71 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 -1.87 -1.37 -0.03 0.54 7.27 -1.26 -4.88 117.38 115.78 2a3j n GLN 111 Ca 0.02 0.91 -0.18 0.00 0.07 0.00 0.00 57.00 57.82 2a3j n GLN 111 Cb 0.06 -5.34 -0.14 0.00 2.41 0.00 0.00 30.24 27.24 2a3j n GLN 111 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2a3j n SER 112 N -1.25 1.72 -0.30 1.69 2.88 -1.26 -3.65 113.62 113.45 2a3j n SER 112 Ca -0.20 0.18 -0.01 0.00 -1.33 0.00 0.00 58.87 57.50 2a3j n SER 112 Cb 0.64 -0.51 0.11 0.00 -0.75 0.00 0.00 64.21 63.70 2a3j n SER 112 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2a3j h GLN 113 N 0.04 0.97 0.00 -1.46 3.07 -1.94 -1.12 115.11 114.67 2a3j h GLN 113 Ca -0.43 -0.06 -0.08 0.00 0.09 0.00 0.00 58.65 58.17 2a3j h GLN 113 Cb 2.02 -0.22 -0.01 0.00 0.08 0.00 0.00 27.48 29.35 2a3j h GLN 113 CO 0.05 0.64 -0.36 -0.39 0.09 0.00 0.00 178.83 178.87 2a3j h VAL 114 N 1.00 0.83 -0.08 1.86 -1.51 -1.98 -3.04 116.25 113.33 2a3j h VAL 114 Ca 0.33 -1.50 -0.15 0.00 -1.23 0.00 0.00 66.70 64.15 2a3j h VAL 114 Cb 0.04 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.13 2a3j h VAL 114 CO -0.13 0.35 -0.62 0.00 -1.23 0.00 0.00 177.57 175.95 2a3j h ALA 115 N 1.64 0.80 -0.93 5.19 0.00 -1.31 -3.11 119.26 121.55 2a3j h ALA 115 Ca -0.00 -0.55 0.15 0.00 0.00 0.00 0.00 54.91 54.50 2a3j h ALA 115 Cb 0.91 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 2a3j h ALA 115 CO 0.05 0.74 0.59 0.93 0.00 0.00 0.00 179.25 181.55 2a3j h GLU 116 N 0.20 0.72 0.00 0.00 3.07 -1.21 -3.51 114.58 113.85 2a3j h GLU 116 Ca -0.01 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2a3j h GLU 116 Cb 1.14 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 2a3j h GLU 116 CO 0.10 0.48 0.00 -0.25 -1.40 0.00 0.00 179.01 177.93