#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 1.20 -0.78 0.04 -1.26 -5.00 135.00 132.77 2a3j s PRO 23 Ca 0.00 1.46 -0.20 0.00 0.04 0.00 0.00 61.00 62.30 2a3j s PRO 23 Cb 0.00 -4.10 0.30 0.00 0.04 0.00 0.00 34.50 30.74 2a3j s PRO 23 CO 0.00 -1.57 1.07 -0.35 0.04 0.00 0.00 177.00 176.19 2a3j n PRO 24 N 8.05 -3.11 -4.44 0.56 -0.04 -1.26 -5.08 135.00 129.68 2a3j n PRO 24 Ca 0.20 -1.71 -0.25 0.00 -0.04 0.00 0.00 63.50 61.71 2a3j n PRO 24 Cb 0.46 -1.60 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 2a3j n PRO 24 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2a3j s HIS 25 N -2.93 2.44 0.08 0.54 -3.43 -1.26 -5.08 115.29 105.64 2a3j s HIS 25 Ca 0.69 -0.40 0.00 0.00 -0.80 0.00 0.00 55.06 54.56 2a3j s HIS 25 Cb -0.07 -1.27 0.00 0.00 -1.43 0.00 0.00 32.58 29.82 2a3j s HIS 25 CO 0.53 0.60 0.00 0.25 -2.00 0.00 0.00 174.74 174.12 2a3j n THR 26 N -0.79 0.96 -4.07 -5.38 -2.24 -1.26 -5.12 114.28 96.37 2a3j n THR 26 Ca -0.05 0.32 -0.08 0.00 -2.27 0.00 0.00 64.05 61.97 2a3j n THR 26 Cb 0.62 -1.45 -0.10 0.00 -2.10 0.00 0.00 70.33 67.29 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 -1.77 0.56 0.70 -0.78 -1.05 -1.26 -5.10 118.70 110.00 2a3j s GLU 27 Ca 0.00 -1.08 -0.13 0.00 -0.15 0.00 0.00 54.97 53.61 2a3j s GLU 27 Cb 0.00 0.14 0.02 0.00 -0.44 0.00 0.00 34.13 33.85 2a3j s GLU 27 CO 0.00 -0.08 1.10 -1.25 0.95 0.00 0.00 175.26 175.98 2a3j s PRO 28 N -3.30 2.59 -0.29 -4.83 0.04 -1.26 -5.06 135.00 122.89 2a3j s PRO 28 Ca 0.02 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.41 2a3j s PRO 28 Cb 0.03 -1.93 0.20 0.00 0.04 0.00 0.00 34.50 32.84 2a3j s PRO 28 CO -0.07 -1.40 0.60 -1.12 0.04 0.00 0.00 177.00 175.04 2a3j s SER 29 N -2.89 -1.57 -0.20 6.66 0.01 -1.26 -4.88 113.70 109.57 2a3j s SER 29 Ca 0.65 0.32 0.13 0.00 1.31 0.00 0.00 55.95 58.36 2a3j s SER 29 Cb -0.19 2.05 0.71 0.00 0.21 0.00 0.00 66.02 68.80 2a3j s SER 29 CO 0.47 -0.29 1.58 0.00 0.41 0.00 0.00 173.24 175.42 2a3j n GLN 30 N 5.42 4.31 -4.12 12.44 6.02 -1.26 -3.16 117.38 137.02 2a3j n GLN 30 Ca 0.04 -2.73 -0.09 0.00 -0.01 0.00 0.00 57.00 54.21 2a3j n GLN 30 Cb 0.53 -2.14 -0.10 0.00 1.02 0.00 0.00 30.24 29.56 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 -2.46 0.19 -0.01 5.09 -7.23 -1.26 -1.70 120.40 113.02 2a3j s VAL 31 Ca 0.47 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 2a3j s VAL 31 Cb 0.36 -1.79 -0.00 0.00 0.56 0.00 0.00 36.38 35.50 2a3j s VAL 31 CO 0.15 -0.72 -0.09 0.68 -0.31 0.00 0.00 175.10 174.81 2a3j s VAL 32 N -3.97 0.70 -0.24 1.32 -7.23 -0.91 -4.32 120.40 105.75 2a3j s VAL 32 Ca 0.16 -0.36 -0.06 0.00 -1.81 0.00 0.00 61.98 59.91 2a3j s VAL 32 Cb 0.08 -0.60 -0.02 0.00 0.56 0.00 0.00 36.38 36.40 2a3j s VAL 32 CO -0.04 0.21 0.03 -0.22 -0.31 0.00 0.00 175.10 174.76 2a3j s LEU 33 N -0.09 3.26 0.07 1.32 2.96 0.89 -0.89 118.68 126.20 2a3j s LEU 33 Ca 0.02 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 2a3j s LEU 33 Cb -0.05 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2a3j s LEU 33 CO -0.00 -0.04 0.02 0.27 -1.32 0.00 0.00 176.35 175.28 2a3j s ILE 34 N 1.55 4.20 0.16 6.68 -0.00 -0.04 -0.67 121.20 133.08 2a3j s ILE 34 Ca 0.06 -0.86 -0.00 0.00 -0.00 0.00 0.00 60.65 59.84 2a3j s ILE 34 Cb -0.15 -2.99 0.00 0.00 -0.00 0.00 0.00 42.46 39.32 2a3j s ILE 34 CO 0.01 0.16 0.21 0.35 -0.00 0.00 0.00 174.94 175.67 2a3j n THR 35 N 0.66 0.00 -1.91 8.37 -2.24 -1.21 -1.44 114.28 116.50 2a3j n THR 35 Ca -0.11 -0.86 -0.16 0.00 -2.27 0.00 0.00 64.05 60.66 2a3j n THR 35 Cb 0.52 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.97 -4.79 -4.87 3.42 4.05 -1.21 -4.08 115.26 105.80 2a3j n ASN 36 Ca 0.01 0.17 -0.34 0.00 0.45 0.00 0.00 54.58 54.87 2a3j n ASN 36 Cb 0.27 -3.81 -0.05 0.00 1.23 0.00 0.00 39.78 37.42 2a3j n ASN 36 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 2a3j s ILE 37 N -2.69 5.09 -0.22 -1.44 -4.36 -1.15 -4.88 121.20 111.56 2a3j s ILE 37 Ca 0.00 0.36 -0.25 0.00 -0.26 0.00 0.00 60.65 60.50 2a3j s ILE 37 Cb 0.00 -3.64 -0.01 0.00 1.25 0.00 0.00 42.46 40.06 2a3j s ILE 37 CO 0.00 0.19 0.85 0.21 0.24 0.00 0.00 174.94 176.43 2a3j s ASN 38 N -1.99 6.90 0.00 4.36 3.84 -1.26 -4.57 114.94 122.22 2a3j s ASN 38 Ca 0.37 1.11 0.14 0.00 0.21 0.00 0.00 52.86 54.69 2a3j s ASN 38 Cb -0.13 -2.45 0.70 0.00 -0.55 0.00 0.00 41.25 38.82 2a3j s ASN 38 CO 0.20 -0.49 1.41 -0.81 -2.79 0.00 0.00 177.10 174.62 2a3j n PRO 39 N 5.77 0.15 -0.09 0.43 -0.04 -1.26 -3.30 135.00 136.66 2a3j n PRO 39 Ca 0.06 0.18 0.26 0.00 -0.04 0.00 0.00 63.50 63.95 2a3j n PRO 39 Cb 0.48 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.16 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 -5.72 0.54 5.08 -1.91 -3.39 114.58 109.18 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 29.34 2a3j h GLU 40 CO 0.00 0.00 -0.26 0.54 -1.00 0.00 0.00 179.01 178.29 2a3j s VAL 41 N -4.86 5.21 0.34 3.13 0.11 -1.21 -5.06 120.40 118.05 2a3j s VAL 41 Ca -0.05 0.71 -0.28 0.00 -2.93 0.00 0.00 61.98 59.43 2a3j s VAL 41 Cb 0.19 -3.68 -0.10 0.00 -1.53 0.00 0.00 36.38 31.27 2a3j s VAL 41 CO 0.70 0.45 1.22 -2.16 -3.33 0.00 0.00 175.10 171.97 2a3j s PRO 42 N -0.09 4.34 0.46 1.54 0.04 -1.26 -4.72 135.00 135.31 2a3j s PRO 42 Ca 0.21 2.01 0.28 0.00 0.04 0.00 0.00 61.00 63.53 2a3j s PRO 42 Cb -0.15 -2.99 1.34 0.00 0.04 0.00 0.00 34.50 32.74 2a3j s PRO 42 CO 0.08 -0.12 1.76 -0.22 0.04 0.00 0.00 177.00 178.54 2a3j h LYS 43 N 3.28 0.19 -0.18 4.56 3.64 -1.93 0.34 116.57 126.47 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 1.23 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.93 2a3j h LYS 43 CO 0.65 0.12 -0.36 0.93 -2.27 0.00 0.00 179.45 178.52 2a3j h GLU 44 N 0.19 -0.39 0.15 1.90 5.08 -1.99 0.41 114.58 119.93 2a3j h GLU 44 Ca 0.62 0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 58.72 2a3j h GLU 44 Cb 1.99 0.09 0.01 0.00 0.50 0.00 0.00 28.75 31.34 2a3j h GLU 44 CO -0.19 -0.26 -1.40 0.87 -1.00 0.00 0.00 179.01 177.02 2a3j h LYS 45 N -0.41 0.32 -0.42 2.33 1.57 -1.50 -3.13 116.57 115.32 2a3j h LYS 45 Ca 0.10 -0.55 0.08 0.00 -1.87 0.00 0.00 60.65 58.41 2a3j h LYS 45 Cb 0.58 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 33.02 2a3j h LYS 45 CO -0.40 1.26 -0.04 1.25 -0.57 0.00 0.00 179.45 180.95 2a3j h LEU 46 N -0.17 -0.26 -0.10 2.94 5.85 -0.31 0.63 115.31 123.88 2a3j h LEU 46 Ca -0.28 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2a3j h LEU 46 Cb 1.87 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 43.10 2a3j h LEU 46 CO 0.13 -0.09 0.03 -0.61 -0.34 0.00 0.00 178.44 177.56 2a3j h GLN 47 N 0.06 0.16 -0.71 1.25 4.15 -0.32 -1.69 115.11 118.02 2a3j h GLN 47 Ca 0.21 -0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.72 2a3j h GLN 47 Cb 0.31 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 2a3j h GLN 47 CO -0.39 0.31 0.47 0.00 -1.93 0.00 0.00 178.83 177.29 2a3j h ALA 48 N 0.85 2.02 -0.04 3.38 0.00 -1.36 -1.97 119.26 122.14 2a3j h ALA 48 Ca 0.03 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2a3j h ALA 48 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2a3j h ALA 48 CO -0.00 -0.19 -0.10 -0.07 0.00 0.00 0.00 179.25 178.88 2a3j h LEU 49 N 0.47 0.16 -2.01 0.00 -0.00 -0.59 -2.91 115.31 110.43 2a3j h LEU 49 Ca 0.34 -0.60 0.14 0.00 -0.00 0.00 0.00 57.88 57.76 2a3j h LEU 49 Cb 0.68 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.27 2a3j h LEU 49 CO -0.11 0.73 0.36 -0.07 -0.00 0.00 0.00 178.44 179.36 2a3j h LEU 50 N -0.41 0.00 -0.09 1.67 3.38 -0.61 -1.05 115.31 118.20 2a3j h LEU 50 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2a3j h LEU 50 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2a3j h LEU 50 CO 0.02 0.00 -0.37 0.22 0.09 0.00 0.00 178.44 178.40 2a3j h TYR 51 N 0.00 0.55 -0.17 1.13 5.03 -1.33 -2.31 116.97 119.88 2a3j h TYR 51 Ca 0.23 -0.24 0.05 0.00 2.58 0.00 0.00 58.73 61.36 2a3j h TYR 51 Cb 0.96 -0.09 -0.06 0.00 1.55 0.00 0.00 36.73 39.08 2a3j h TYR 51 CO 0.00 0.98 -0.28 0.00 -1.32 0.00 0.00 178.16 177.54 2a3j h ALA 52 N 0.46 -0.27 -0.68 1.82 0.00 -0.99 0.21 119.26 119.81 2a3j h ALA 52 Ca -0.02 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2a3j h ALA 52 Cb 1.02 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 2a3j h ALA 52 CO 0.08 -0.74 0.20 -0.07 0.00 0.00 0.00 179.25 178.72 2a3j h LEU 53 N -0.33 0.98 0.41 0.00 3.38 -1.59 -2.25 115.31 115.91 2a3j h LEU 53 Ca 0.11 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2a3j h LEU 53 Cb 0.50 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2a3j h LEU 53 CO -0.36 0.92 -0.20 0.00 0.09 0.00 0.00 178.44 178.89 2a3j h ALA 54 N 1.21 -0.56 -0.51 1.53 0.00 -0.72 -2.58 119.26 117.64 2a3j h ALA 54 Ca 0.22 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2a3j h ALA 54 Cb 0.30 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2a3j h ALA 54 CO -0.01 -0.81 0.34 1.03 0.00 0.00 0.00 179.25 179.80 2a3j h SER 55 N -0.56 0.40 -0.04 0.00 0.87 -0.54 0.87 113.55 114.54 2a3j h SER 55 Ca -0.06 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2a3j h SER 55 Cb 0.43 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2a3j h SER 55 CO 0.09 0.26 0.09 -1.28 -0.53 0.00 0.00 176.83 175.46 2a3j h SER 56 N 0.45 0.00 0.00 6.23 0.87 -0.99 -3.33 113.55 116.78 2a3j h SER 56 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2a3j h SER 56 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2a3j h SER 56 CO -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.24 2a3j n GLN 57 N -3.43 0.00 -4.44 2.24 1.13 0.00 -5.11 117.38 107.77 2a3j n GLN 57 Ca -0.02 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.83 2a3j n GLN 57 Cb 0.17 -0.23 -0.11 0.00 0.11 0.00 0.00 30.24 30.19 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 -2.83 1.99 0.41 1.08 0.00 0.09 -4.98 107.32 103.08 2a3j s GLY 58 Ca 0.00 -2.01 -0.25 0.00 0.00 0.00 0.00 44.72 42.46 2a3j s GLY 58 CO 0.00 -1.81 1.16 0.99 0.00 0.00 0.00 173.10 173.45 2a3j s ASP 59 N -3.46 6.45 -0.13 1.64 1.11 -1.26 -3.37 116.67 117.65 2a3j s ASP 59 Ca 0.35 2.32 -0.04 0.00 0.18 0.00 0.00 52.55 55.36 2a3j s ASP 59 Cb 0.08 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.43 2a3j s ASP 59 CO 0.14 -0.72 0.00 -0.63 1.18 0.00 0.00 175.17 175.14 2a3j s ILE 60 N -1.46 4.28 -0.12 0.77 1.09 -1.26 -1.23 121.20 123.27 2a3j s ILE 60 Ca 0.59 -0.24 0.19 0.00 -1.10 0.00 0.00 60.65 60.09 2a3j s ILE 60 Cb -0.30 -2.85 -0.27 0.00 -1.06 0.00 0.00 42.46 37.98 2a3j s ILE 60 CO 0.37 0.54 0.23 0.18 -0.10 0.00 0.00 174.94 176.16 2a3j n LEU 61 N 2.87 0.00 0.00 2.97 4.77 -0.51 -4.90 117.00 122.20 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 0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 2a3j n LEU 61 CO 0.31 0.28 0.00 -0.67 -1.33 0.00 0.00 177.39 175.98 2a3j n ASP 62 N -2.51 0.00 -4.39 -1.43 2.03 -1.22 -5.05 116.55 103.98 2a3j n ASP 62 Ca -0.20 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.71 2a3j n ASP 62 Cb 0.89 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 4.54 0.05 5.18 1.01 -1.26 -1.29 121.20 129.42 2a3j s ILE 63 Ca 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 2a3j s ILE 63 Cb 0.00 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 2a3j s ILE 63 CO 0.00 -0.15 0.28 -0.69 0.00 0.00 0.00 174.94 174.38 2a3j s VAL 64 N 1.56 5.30 -0.09 2.92 1.01 0.12 -4.99 120.40 126.24 2a3j s VAL 64 Ca 0.03 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 2a3j s VAL 64 Cb -0.19 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.64 2a3j s VAL 64 CO 0.06 0.24 0.22 -0.69 0.00 0.00 0.00 175.10 174.94 2a3j s VAL 65 N -1.42 -0.03 0.00 2.92 1.01 -1.26 -0.24 120.40 121.37 2a3j s VAL 65 Ca 0.32 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2a3j s VAL 65 Cb -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.92 2a3j s VAL 65 CO 0.21 0.05 0.00 -0.90 0.00 0.00 0.00 175.10 174.45 2a3j n ASP 66 N 3.89 -0.72 -1.58 3.32 5.75 -1.10 -4.87 116.55 121.25 2a3j n ASP 66 Ca -0.22 -0.05 -0.02 0.00 -0.01 0.00 0.00 54.79 54.49 2a3j n ASP 66 Cb 0.54 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.86 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 4.68 -3.65 -2.12 -0.00 -1.26 -4.92 117.00 109.74 2a3j n LEU 67 Ca 0.00 -2.41 -0.29 0.00 -0.00 0.00 0.00 56.01 53.31 2a3j n LEU 67 Cb 0.00 -0.66 0.04 0.00 -0.00 0.00 0.00 43.42 42.80 2a3j n LEU 67 CO 0.00 0.62 -0.05 -1.20 -0.00 0.00 0.00 177.39 176.76 2a3j n SER 68 N 0.10 -5.49 -4.76 1.45 7.64 -1.26 -4.91 113.62 106.39 2a3j n SER 68 Ca 0.26 -0.95 -0.40 0.00 1.01 0.00 0.00 58.87 58.79 2a3j n SER 68 Cb 1.03 -3.38 -0.05 0.00 -1.01 0.00 0.00 64.21 60.80 2a3j n SER 68 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2a3j s ASP 69 N -3.39 7.35 0.11 6.43 -1.08 -1.26 -4.71 116.67 120.12 2a3j s ASP 69 Ca 0.41 2.16 0.17 0.00 -0.52 0.00 0.00 52.55 54.77 2a3j s ASP 69 Cb -0.15 -2.62 0.72 0.00 -1.46 0.00 0.00 42.92 39.41 2a3j s ASP 69 CO 0.86 -0.07 1.52 0.47 0.52 0.00 0.00 175.17 178.46 2a3j n ASP 70 N 1.21 0.26 -0.02 -0.34 9.92 -1.26 -0.64 116.55 125.68 2a3j n ASP 70 Ca -0.01 0.57 0.03 0.00 -0.53 0.00 0.00 54.79 54.86 2a3j n ASP 70 Cb 0.46 -0.63 -0.03 0.00 -0.64 0.00 0.00 41.12 40.28 2a3j n ASP 70 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2a3j n ASN 71 N -1.80 0.42 0.00 -2.24 3.02 -1.26 -4.87 115.26 108.53 2a3j n ASN 71 Ca 0.02 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 2a3j n ASN 71 Cb 0.17 0.93 0.00 0.00 -0.61 0.00 0.00 39.78 40.26 2a3j n ASN 71 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2a3j n SER 72 N -1.05 0.00 -2.97 6.41 2.88 -0.86 -5.10 113.62 112.94 2a3j n SER 72 Ca 0.02 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.51 2a3j n SER 72 Cb 0.11 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2a3j n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2a3j n GLY 73 N 3.56 -2.08 3.69 0.46 0.00 0.19 -4.55 105.19 106.45 2a3j n GLY 73 Ca 0.00 0.45 -0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.58 2.18 0.17 1.61 -2.85 -1.26 -2.91 119.74 115.09 2a3j s LYS 74 Ca 0.06 -1.61 -0.22 0.00 -1.00 0.00 0.00 55.97 53.20 2a3j s LYS 74 Cb -0.01 0.56 0.08 0.00 -2.06 0.00 0.00 37.83 36.40 2a3j s LYS 74 CO 0.51 -0.98 1.05 0.00 0.10 0.00 0.00 175.35 176.03 2a3j n ALA 75 N -0.56 -2.75 -3.72 0.59 0.00 -0.52 -2.69 120.51 110.85 2a3j n ALA 75 Ca -0.05 -1.01 -0.14 0.00 0.00 0.00 0.00 53.44 52.24 2a3j n ALA 75 Cb 0.60 0.54 -0.14 0.00 0.00 0.00 0.00 19.45 20.46 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 -2.11 -0.27 -0.38 0.00 1.51 0.67 -0.86 117.35 115.90 2a3j s TYR 76 Ca 0.23 0.69 -0.07 0.00 -1.01 0.00 0.00 57.07 56.92 2a3j s TYR 76 Cb -0.03 -0.05 0.07 0.00 -0.11 0.00 0.00 41.96 41.84 2a3j s TYR 76 CO 0.05 -0.23 0.18 0.42 -1.11 0.00 0.00 175.55 174.86 2a3j s ILE 77 N 1.54 3.84 -0.08 2.71 1.01 -0.07 0.16 121.20 130.30 2a3j s ILE 77 Ca -0.06 -1.42 -0.29 0.00 0.00 0.00 0.00 60.65 58.88 2a3j s ILE 77 Cb -0.11 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 2a3j s ILE 77 CO -0.07 -0.40 0.97 -0.69 0.00 0.00 0.00 174.94 174.74 2a3j s VAL 78 N 1.36 4.83 0.54 2.92 1.01 -0.42 -2.13 120.40 128.51 2a3j s VAL 78 Ca 0.02 1.98 0.06 0.00 0.00 0.00 0.00 61.98 64.04 2a3j s VAL 78 Cb -0.22 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 31.92 2a3j s VAL 78 CO 0.01 0.06 0.46 -0.36 0.00 0.00 0.00 175.10 175.27 2a3j s PHE 79 N 1.72 1.64 0.21 5.22 0.08 -0.69 -1.43 117.98 124.74 2a3j s PHE 79 Ca 0.48 -0.81 -0.08 0.00 0.12 0.00 0.00 56.93 56.64 2a3j s PHE 79 Cb -0.19 -1.97 0.17 0.00 -0.57 0.00 0.00 43.02 40.46 2a3j s PHE 79 CO 0.20 -0.57 1.82 0.00 -0.10 0.00 0.00 175.22 176.57 2a3j h ALA 80 N 0.67 1.04 -2.34 5.36 0.00 -1.41 -3.41 119.26 119.17 2a3j h ALA 80 Ca -0.36 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.58 2a3j h ALA 80 Cb 1.30 -0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 2a3j h ALA 80 CO 0.55 0.58 0.48 0.99 0.00 0.00 0.00 179.25 181.84 2a3j s THR 81 N -5.77 0.00 0.54 0.00 2.01 -1.26 -4.98 115.64 106.17 2a3j s THR 81 Ca -0.13 -0.55 0.30 0.00 0.31 0.00 0.00 61.69 61.62 2a3j s THR 81 Cb 0.16 -1.82 0.46 0.00 0.01 0.00 0.00 72.50 71.31 2a3j s THR 81 CO 0.82 0.00 1.92 -0.61 -0.69 0.00 0.00 174.62 176.05 2a3j h GLN 82 N 2.00 0.00 0.15 4.92 -0.00 -1.83 -0.92 115.11 119.43 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 1.23 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.70 2a3j h GLN 82 CO 0.26 0.00 -0.18 0.93 0.00 0.00 0.00 178.83 179.85 2a3j h GLU 83 N 0.00 -0.35 -0.13 1.69 5.08 -1.95 0.90 114.58 119.82 2a3j h GLU 83 Ca 0.38 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.68 2a3j h GLU 83 Cb 1.54 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.87 2a3j h GLU 83 CO -0.00 -0.24 -0.27 0.77 -1.00 0.00 0.00 179.01 178.27 2a3j h SER 84 N -0.37 0.46 -0.21 1.42 0.02 -1.63 -2.99 113.55 110.25 2a3j h SER 84 Ca 0.01 -0.56 0.06 0.00 -0.84 0.00 0.00 61.79 60.46 2a3j h SER 84 Cb 0.36 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.71 2a3j h SER 84 CO -0.06 0.93 -0.19 0.00 -1.14 0.00 0.00 176.83 176.37 2a3j h ALA 85 N 0.54 -0.06 -0.85 3.77 0.00 -1.15 -0.69 119.26 120.81 2a3j h ALA 85 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.08 2a3j h ALA 85 Cb 0.86 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 2a3j h ALA 85 CO 0.06 -0.62 0.55 0.37 0.00 0.00 0.00 179.25 179.61 2a3j h GLN 86 N -0.20 0.82 -0.55 0.00 4.15 -0.88 0.29 115.11 118.75 2a3j h GLN 86 Ca 0.13 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.43 2a3j h GLN 86 Cb 0.39 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 2a3j h GLN 86 CO -0.33 0.54 0.10 0.00 -1.93 0.00 0.00 178.83 177.21 2a3j h ALA 87 N 1.57 0.73 -0.05 3.38 0.00 -1.04 -0.67 119.26 123.17 2a3j h ALA 87 Ca 0.39 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 2a3j h ALA 87 Cb 0.38 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2a3j h ALA 87 CO -0.16 0.46 -0.80 0.35 0.00 0.00 0.00 179.25 179.11 2a3j h PHE 88 N 0.80 0.57 -0.52 0.00 3.04 -0.15 -0.41 116.94 120.26 2a3j h PHE 88 Ca 0.17 -0.27 -0.11 0.00 3.98 0.00 0.00 57.97 61.74 2a3j h PHE 88 Cb 0.40 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.81 2a3j h PHE 88 CO 0.03 1.05 -0.11 0.28 -2.02 0.00 0.00 178.31 177.54 2a3j h VAL 89 N 0.26 1.27 0.00 1.41 2.07 -0.32 -1.59 116.25 119.35 2a3j h VAL 89 Ca -0.05 -1.25 -0.12 0.00 0.82 0.00 0.00 66.70 66.11 2a3j h VAL 89 Cb 1.40 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 2a3j h VAL 89 CO 0.14 0.44 -0.64 1.05 0.02 0.00 0.00 177.57 178.58 2a3j h GLU 90 N 0.85 0.00 0.00 1.57 -0.00 -1.14 0.27 114.58 116.13 2a3j h GLU 90 Ca 0.13 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.41 2a3j h GLU 90 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.41 2a3j h GLU 90 CO 0.05 0.49 -0.39 0.00 -0.00 0.00 0.00 179.01 179.16 2a3j h ALA 91 N 1.47 0.84 0.00 1.06 0.00 -0.92 -3.25 119.26 118.46 2a3j h ALA 91 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2a3j h ALA 91 Cb 1.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2a3j h ALA 91 CO 0.06 0.49 0.00 1.19 0.00 0.00 0.00 179.25 180.99 2a3j n PHE 92 N -3.33 0.00 -0.32 0.00 3.01 -0.61 -4.73 117.46 111.48 2a3j n PHE 92 Ca 0.01 -0.38 0.30 0.00 1.01 0.00 0.00 57.45 58.40 2a3j n PHE 92 Cb 0.61 -0.04 0.65 0.00 -0.01 0.00 0.00 39.48 40.69 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 0.15 -1.76 -1.08 4.15 -0.50 -2.78 115.11 113.28 2a3j h GLN 93 Ca 0.00 -0.01 -0.45 0.00 0.77 0.00 0.00 58.65 58.96 2a3j h GLN 93 Cb 0.45 -0.03 -0.40 0.00 0.21 0.00 0.00 27.48 27.71 2a3j h GLN 93 CO 0.00 0.10 -1.20 0.41 -1.93 0.00 0.00 178.83 176.21 2a3j n GLY 94 N -1.64 3.12 3.30 2.39 0.00 -1.26 -4.73 105.19 106.36 2a3j n GLY 94 Ca 0.26 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.59 2.45 -0.44 1.61 6.14 -1.05 -5.06 117.35 118.41 2a3j s TYR 95 Ca 0.37 -0.62 -0.28 0.00 0.64 0.00 0.00 57.07 57.18 2a3j s TYR 95 Cb 0.38 -1.59 -0.01 0.00 0.42 0.00 0.00 41.96 41.15 2a3j s TYR 95 CO -0.05 -0.15 1.76 -1.25 0.64 0.00 0.00 175.55 176.50 2a3j s PRO 96 N -0.27 3.12 0.01 4.97 0.04 -1.26 -4.24 135.00 137.37 2a3j s PRO 96 Ca -0.00 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2a3j s PRO 96 Cb -0.13 -4.24 -0.01 0.00 0.04 0.00 0.00 34.50 30.17 2a3j s PRO 96 CO 0.03 -2.12 -0.01 0.12 0.04 0.00 0.00 177.00 175.05 2a3j s PHE 97 N 7.43 0.11 -1.04 0.56 5.36 -1.25 -4.81 117.98 124.34 2a3j s PHE 97 Ca 0.72 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.51 2a3j s PHE 97 Cb -0.18 -0.08 0.00 0.00 -0.34 0.00 0.00 43.02 42.43 2a3j s PHE 97 CO 0.29 -0.06 0.00 1.04 -1.46 0.00 0.00 175.22 175.03 2a3j n GLN 98 N 2.57 -2.23 0.00 10.12 6.02 -1.26 -3.15 117.38 129.45 2a3j n GLN 98 Ca -0.16 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 2a3j n GLN 98 Cb 0.58 -5.19 0.00 0.00 1.02 0.00 0.00 30.24 26.65 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 -0.80 1.88 0.00 1.08 0.00 -1.26 -4.50 105.19 101.58 2a3j n GLY 99 Ca -0.14 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 4.13 -1.19 -5.00 115.26 110.25 2a3j n ASN 100 Ca 0.00 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.86 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 2.89 -0.13 3.52 0.04 -1.26 -3.88 135.00 136.18 2a3j s PRO 101 Ca 0.00 0.86 0.01 0.00 0.04 0.00 0.00 61.00 61.90 2a3j s PRO 101 Cb 0.00 -4.31 -0.01 0.00 0.04 0.00 0.00 34.50 30.22 2a3j s PRO 101 CO 0.00 -2.40 -0.15 -1.17 0.04 0.00 0.00 177.00 173.31 2a3j s LEU 102 N 8.20 2.57 -0.08 -3.56 0.20 -1.26 -4.80 118.68 119.96 2a3j s LEU 102 Ca 0.70 -0.39 0.03 0.00 0.69 0.00 0.00 54.13 55.17 2a3j s LEU 102 Cb -0.15 -1.57 0.00 0.00 -0.43 0.00 0.00 46.19 44.04 2a3j s LEU 102 CO 0.25 0.16 -0.18 0.54 -0.29 0.00 0.00 176.35 176.82 2a3j s VAL 103 N 0.40 1.60 -0.16 1.68 0.11 -1.26 -4.63 120.40 118.14 2a3j s VAL 103 Ca -0.12 -0.76 -0.00 0.00 -2.93 0.00 0.00 61.98 58.17 2a3j s VAL 103 Cb -0.16 -1.40 0.04 0.00 -1.53 0.00 0.00 36.38 33.32 2a3j s VAL 103 CO 0.06 0.46 -0.07 0.27 -3.33 0.00 0.00 175.10 172.49 2a3j s ILE 104 N 0.42 1.18 0.50 7.04 -0.00 -1.26 -3.36 121.20 125.71 2a3j s ILE 104 Ca -0.15 -0.61 0.03 0.00 -0.00 0.00 0.00 60.65 59.93 2a3j s ILE 104 Cb -0.16 -1.30 -0.01 0.00 -0.00 0.00 0.00 42.46 40.99 2a3j s ILE 104 CO 0.06 0.20 0.13 0.42 -0.00 0.00 0.00 174.94 175.75 2a3j s THR 105 N 1.61 1.49 -1.41 8.37 -4.23 0.16 -4.95 115.64 116.67 2a3j s THR 105 Ca 0.02 -1.83 0.17 0.00 -1.18 0.00 0.00 61.69 58.87 2a3j s THR 105 Cb -0.15 -2.32 0.63 0.00 1.34 0.00 0.00 72.50 72.00 2a3j s THR 105 CO -0.08 0.00 1.52 0.49 -0.54 0.00 0.00 174.62 176.01 2a3j n PHE 106 N -1.37 1.21 -4.99 3.99 3.01 -1.26 -0.07 117.46 117.98 2a3j n PHE 106 Ca -0.11 -0.51 0.00 0.00 1.01 0.00 0.00 57.45 57.84 2a3j n PHE 106 Cb 0.66 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 2a3j n PHE 106 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2a3j n SER 107 N 1.11 -5.89 -4.00 4.37 3.41 -1.26 -4.51 113.62 106.84 2a3j n SER 107 Ca 0.23 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.53 2a3j n SER 107 Cb 0.74 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.54 2a3j n SER 107 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2a3j s GLU 108 N 0.00 1.92 -0.81 4.33 0.41 -1.26 -4.93 118.70 118.36 2a3j s GLU 108 Ca 0.00 -1.12 0.02 0.00 -0.41 0.00 0.00 54.97 53.45 2a3j s GLU 108 Cb 0.00 -2.70 0.24 0.00 -1.78 0.00 0.00 34.13 29.89 2a3j s GLU 108 CO 0.00 -0.57 0.86 0.25 -0.49 0.00 0.00 175.26 175.31 2a3j n THR 109 N 4.57 3.01 -0.68 3.63 -2.24 -1.26 -5.07 114.28 116.24 2a3j n THR 109 Ca -0.13 -5.28 -0.11 0.00 -2.27 0.00 0.00 64.05 56.27 2a3j n THR 109 Cb 0.43 -2.19 0.09 0.00 -2.10 0.00 0.00 70.33 66.56 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 1.51 -1.77 -2.57 -0.78 -0.04 -1.26 -4.13 135.00 125.95 2a3j n PRO 110 Ca 0.25 -0.61 -0.15 0.00 -0.04 0.00 0.00 63.50 62.95 2a3j n PRO 110 Cb 0.37 -0.58 -0.00 0.00 -0.04 0.00 0.00 33.50 33.25 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 -2.69 -2.45 -0.04 0.54 7.27 -1.26 -4.84 117.38 113.92 2a3j n GLN 111 Ca 0.05 0.66 -0.21 0.00 0.07 0.00 0.00 57.00 57.57 2a3j n GLN 111 Cb 0.21 -5.29 -0.13 0.00 2.41 0.00 0.00 30.24 27.43 2a3j n GLN 111 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2a3j n SER 112 N -1.93 2.06 -0.20 1.69 3.41 -1.26 -3.85 113.62 113.54 2a3j n SER 112 Ca -0.14 0.17 -0.09 0.00 -0.26 0.00 0.00 58.87 58.55 2a3j n SER 112 Cb 0.61 -0.78 0.02 0.00 -0.26 0.00 0.00 64.21 63.81 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 -0.12 0.93 0.00 4.33 3.07 -1.91 -2.50 115.11 118.91 2a3j h GLN 113 Ca -0.46 -0.24 -0.03 0.00 0.09 0.00 0.00 58.65 58.01 2a3j h GLN 113 Cb 1.90 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 29.34 2a3j h GLN 113 CO -0.01 0.88 -0.12 -0.39 0.09 0.00 0.00 178.83 179.28 2a3j h VAL 114 N 0.83 0.93 -0.27 1.86 -1.51 -1.90 -1.23 116.25 114.97 2a3j h VAL 114 Ca 0.18 -0.45 -0.16 0.00 -1.23 0.00 0.00 66.70 65.03 2a3j h VAL 114 Cb 0.39 1.25 -0.00 0.00 -2.13 0.00 0.00 31.29 30.79 2a3j h VAL 114 CO 0.01 0.12 -0.49 0.00 -1.23 0.00 0.00 177.57 175.97 2a3j h ALA 115 N 1.88 0.63 0.00 5.19 0.00 -1.56 -3.16 119.26 122.23 2a3j h ALA 115 Ca -0.00 -0.49 -0.22 0.00 0.00 0.00 0.00 54.91 54.20 2a3j h ALA 115 Cb 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2a3j h ALA 115 CO 0.02 0.68 -0.93 0.93 0.00 0.00 0.00 179.25 179.95 2a3j h GLU 116 N 0.57 0.36 0.00 0.00 4.39 -1.21 -3.52 114.58 115.18 2a3j h GLU 116 Ca 0.03 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2a3j h GLU 116 Cb 1.06 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2a3j h GLU 116 CO 0.10 1.07 0.00 -0.25 -1.16 0.00 0.00 179.01 178.77