#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 0.83 -2.82 0.04 -1.26 -5.00 135.00 130.37 2a3j s PRO 23 Ca 0.00 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.38 2a3j s PRO 23 Cb 0.00 -4.10 0.09 0.00 0.04 0.00 0.00 34.50 30.53 2a3j s PRO 23 CO 0.00 -1.57 1.09 -1.25 0.04 0.00 0.00 177.00 175.32 2a3j s PRO 24 N 5.12 1.77 -0.08 0.56 0.04 -1.26 -5.06 135.00 136.08 2a3j s PRO 24 Ca 0.73 1.00 0.04 0.00 0.04 0.00 0.00 61.00 62.81 2a3j s PRO 24 Cb -0.22 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2a3j s PRO 24 CO 0.32 -1.93 -0.20 -1.01 0.04 0.00 0.00 177.00 174.21 2a3j s HIS 25 N -2.92 2.18 -0.10 0.56 3.76 -1.26 -5.01 115.29 112.51 2a3j s HIS 25 Ca 0.62 -0.84 0.01 0.00 -0.15 0.00 0.00 55.06 54.70 2a3j s HIS 25 Cb -0.18 -1.48 -0.07 0.00 1.11 0.00 0.00 32.58 31.96 2a3j s HIS 25 CO 0.56 -0.35 -0.07 0.25 -0.85 0.00 0.00 174.74 174.28 2a3j n THR 26 N 3.54 0.56 -4.30 1.30 -2.24 -1.26 -5.06 114.28 106.82 2a3j n THR 26 Ca -0.20 -0.23 -0.19 0.00 -2.27 0.00 0.00 64.05 61.16 2a3j n THR 26 Cb 0.53 -0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 67.81 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 -2.20 1.21 0.54 -0.78 -1.05 -1.26 -5.16 118.70 110.00 2a3j s GLU 27 Ca -0.12 -1.44 -0.09 0.00 -0.15 0.00 0.00 54.97 53.17 2a3j s GLU 27 Cb 0.03 -1.06 0.13 0.00 -0.44 0.00 0.00 34.13 32.80 2a3j s GLU 27 CO 0.24 0.19 0.48 -0.35 0.95 0.00 0.00 175.26 176.76 2a3j n PRO 28 N 0.03 -1.96 -3.18 -4.83 -0.04 -1.26 -5.04 135.00 118.72 2a3j n PRO 28 Ca -0.11 -0.76 0.01 0.00 -0.04 0.00 0.00 63.50 62.60 2a3j n PRO 28 Cb 0.59 -0.72 -0.01 0.00 -0.04 0.00 0.00 33.50 33.32 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 -2.79 -1.19 -0.17 3.54 0.01 -1.26 -4.53 113.70 107.32 2a3j s SER 29 Ca 0.31 0.20 0.10 0.00 1.31 0.00 0.00 55.95 57.87 2a3j s SER 29 Cb -0.03 1.87 0.59 0.00 0.21 0.00 0.00 66.02 68.65 2a3j s SER 29 CO 0.24 -0.30 1.40 0.00 0.41 0.00 0.00 173.24 174.98 2a3j n GLN 30 N 5.41 3.78 -4.02 12.44 6.02 -1.26 -3.28 117.38 136.47 2a3j n GLN 30 Ca 0.03 -2.26 -0.11 0.00 -0.01 0.00 0.00 57.00 54.65 2a3j n GLN 30 Cb 0.53 -2.04 -0.11 0.00 1.02 0.00 0.00 30.24 29.63 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 -2.25 0.32 -0.01 5.09 -7.23 -1.26 -0.10 120.40 114.96 2a3j s VAL 31 Ca 0.39 -0.97 0.05 0.00 -1.81 0.00 0.00 61.98 59.64 2a3j s VAL 31 Cb 0.30 -0.43 -0.01 0.00 0.56 0.00 0.00 36.38 36.80 2a3j s VAL 31 CO 0.12 -0.42 -0.15 0.68 -0.31 0.00 0.00 175.10 175.01 2a3j s VAL 32 N -1.37 1.18 -0.24 1.32 -7.23 -0.55 -1.69 120.40 111.82 2a3j s VAL 32 Ca -0.12 -0.66 -0.07 0.00 -1.81 0.00 0.00 61.98 59.32 2a3j s VAL 32 Cb -0.10 -0.98 -0.03 0.00 0.56 0.00 0.00 36.38 35.83 2a3j s VAL 32 CO -0.00 0.31 0.05 -0.22 -0.31 0.00 0.00 175.10 174.93 2a3j s LEU 33 N -0.40 3.37 0.10 1.32 2.96 0.83 -0.81 118.68 126.05 2a3j s LEU 33 Ca 0.06 -0.21 0.06 0.00 -0.22 0.00 0.00 54.13 53.81 2a3j s LEU 33 Cb -0.06 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 2a3j s LEU 33 CO -0.00 -0.01 -0.06 0.27 -1.32 0.00 0.00 176.35 175.23 2a3j s ILE 34 N 1.44 3.61 0.13 6.68 -0.00 0.20 -2.99 121.20 130.27 2a3j s ILE 34 Ca 0.05 -1.16 0.01 0.00 -0.00 0.00 0.00 60.65 59.55 2a3j s ILE 34 Cb -0.15 -2.70 -0.00 0.00 -0.00 0.00 0.00 42.46 39.61 2a3j s ILE 34 CO 0.02 0.12 0.15 0.35 -0.00 0.00 0.00 174.94 175.58 2a3j n THR 35 N 0.66 0.00 -1.66 8.37 -2.24 -1.24 -1.35 114.28 116.83 2a3j n THR 35 Ca -0.12 -0.77 -0.15 0.00 -2.27 0.00 0.00 64.05 60.74 2a3j n THR 35 Cb 0.52 0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 69.13 2a3j n THR 35 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2a3j n ASN 36 N -2.20 -4.77 -4.78 3.42 4.13 -1.21 -3.85 115.26 105.99 2a3j n ASN 36 Ca 0.01 0.28 -0.39 0.00 1.68 0.00 0.00 54.58 56.17 2a3j n ASN 36 Cb 0.22 -3.69 -0.06 0.00 -1.54 0.00 0.00 39.78 34.71 2a3j n ASN 36 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2a3j s ILE 37 N -2.61 4.89 -0.15 2.41 -4.36 -1.17 -4.73 121.20 115.47 2a3j s ILE 37 Ca 0.00 1.17 -0.29 0.00 -0.26 0.00 0.00 60.65 61.26 2a3j s ILE 37 Cb 0.00 -3.89 -0.02 0.00 1.25 0.00 0.00 42.46 39.81 2a3j s ILE 37 CO 0.00 0.47 1.26 0.21 0.24 0.00 0.00 174.94 177.12 2a3j s ASN 38 N -0.51 6.95 0.00 4.36 3.84 -1.26 -4.58 114.94 123.75 2a3j s ASN 38 Ca 0.29 1.72 0.15 0.00 0.21 0.00 0.00 52.86 55.22 2a3j s ASN 38 Cb -0.18 -2.54 0.70 0.00 -0.55 0.00 0.00 41.25 38.67 2a3j s ASN 38 CO 0.17 -0.75 1.42 -0.81 -2.79 0.00 0.00 177.10 174.34 2a3j n PRO 39 N 6.46 0.14 -0.06 0.43 -0.04 -1.26 -3.27 135.00 137.40 2a3j n PRO 39 Ca 0.14 0.19 0.25 0.00 -0.04 0.00 0.00 63.50 64.03 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 -5.60 0.54 5.08 -1.90 -3.39 114.58 109.30 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 0.18 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.34 2a3j h GLU 40 CO 0.00 0.00 -0.35 0.54 -1.00 0.00 0.00 179.01 178.20 2a3j s VAL 41 N -4.84 5.30 0.36 3.13 0.11 -1.20 -5.07 120.40 118.18 2a3j s VAL 41 Ca -0.05 0.51 -0.27 0.00 -2.93 0.00 0.00 61.98 59.24 2a3j s VAL 41 Cb 0.19 -3.59 -0.09 0.00 -1.53 0.00 0.00 36.38 31.36 2a3j s VAL 41 CO 0.68 0.48 1.21 -2.16 -3.33 0.00 0.00 175.10 171.97 2a3j s PRO 42 N -0.14 4.25 0.46 1.54 0.04 -1.26 -4.70 135.00 135.18 2a3j s PRO 42 Ca 0.17 1.98 0.28 0.00 0.04 0.00 0.00 61.00 63.46 2a3j s PRO 42 Cb -0.13 -2.90 1.33 0.00 0.04 0.00 0.00 34.50 32.84 2a3j s PRO 42 CO 0.05 -0.19 1.74 -0.22 0.04 0.00 0.00 177.00 178.43 2a3j h LYS 43 N 3.10 0.19 -0.13 4.56 3.11 -1.92 0.39 116.57 125.86 2a3j h LYS 43 Ca -0.48 -0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.39 2a3j h LYS 43 Cb 1.23 -0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 32.35 2a3j h LYS 43 CO 0.64 0.13 -0.34 0.93 -2.81 0.00 0.00 179.45 178.00 2a3j h GLU 44 N 0.19 -0.40 0.15 1.90 5.08 -1.99 0.40 114.58 119.91 2a3j h GLU 44 Ca 0.64 0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.77 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 -1.29 0.87 -1.00 0.00 0.00 179.01 177.10 2a3j h LYS 45 N -0.42 0.31 -0.47 2.33 1.57 -1.44 -3.14 116.57 115.32 2a3j h LYS 45 Ca 0.09 -0.53 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 1.25 0.01 1.25 -0.57 0.00 0.00 179.45 181.03 2a3j h LEU 46 N -0.23 -0.19 -0.06 2.94 5.85 -0.24 0.26 115.31 123.64 2a3j h LEU 46 Ca -0.26 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2a3j h LEU 46 Cb 1.81 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 43.03 2a3j h LEU 46 CO 0.12 -0.06 0.03 -0.61 -0.34 0.00 0.00 178.44 177.58 2a3j h GLN 47 N 0.12 0.10 -0.67 1.25 4.15 -0.34 -1.74 115.11 117.99 2a3j h GLN 47 Ca 0.23 -0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.76 2a3j h GLN 47 Cb 0.34 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 2a3j h GLN 47 CO -0.38 0.23 0.45 0.00 -1.93 0.00 0.00 178.83 177.20 2a3j h ALA 48 N 0.86 2.11 -0.03 3.38 0.00 -1.35 -1.96 119.26 122.27 2a3j h ALA 48 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2a3j h ALA 48 Cb 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2a3j h ALA 48 CO -0.00 -0.27 -0.07 -0.07 0.00 0.00 0.00 179.25 178.84 2a3j h LEU 49 N 0.38 0.10 -2.02 0.00 -0.00 -0.61 -2.91 115.31 110.25 2a3j h LEU 49 Ca 0.32 -0.60 0.14 0.00 -0.00 0.00 0.00 57.88 57.73 2a3j h LEU 49 Cb 0.73 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.34 2a3j h LEU 49 CO -0.09 0.69 0.36 -0.07 -0.00 0.00 0.00 178.44 179.33 2a3j h LEU 50 N -0.47 0.00 -0.08 1.67 3.38 -0.61 -1.04 115.31 118.16 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 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2a3j h LEU 50 CO 0.01 0.00 -0.38 0.22 0.09 0.00 0.00 178.44 178.38 2a3j h TYR 51 N 0.00 0.55 -0.17 1.13 5.03 -1.34 -2.34 116.97 119.83 2a3j h TYR 51 Ca 0.22 -0.24 0.05 0.00 2.58 0.00 0.00 58.73 61.34 2a3j h TYR 51 Cb 0.95 -0.09 -0.07 0.00 1.55 0.00 0.00 36.73 39.08 2a3j h TYR 51 CO 0.00 0.99 -0.31 0.00 -1.32 0.00 0.00 178.16 177.52 2a3j h ALA 52 N 0.45 -0.32 -0.64 1.82 0.00 -0.99 0.24 119.26 119.81 2a3j h ALA 52 Ca -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2a3j h ALA 52 Cb 1.03 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 2a3j h ALA 52 CO 0.08 -0.77 0.18 -0.07 0.00 0.00 0.00 179.25 178.67 2a3j h LEU 53 N -0.36 0.92 0.40 0.00 3.38 -1.60 -2.31 115.31 115.75 2a3j h LEU 53 Ca 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2a3j h LEU 53 Cb 0.53 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2a3j h LEU 53 CO -0.37 0.88 -0.19 0.00 0.09 0.00 0.00 178.44 178.84 2a3j h ALA 54 N 1.25 -0.54 -0.17 1.53 0.00 -0.72 -2.49 119.26 118.12 2a3j h ALA 54 Ca 0.21 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2a3j h ALA 54 Cb 0.30 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2a3j h ALA 54 CO -0.01 -0.80 0.12 1.03 0.00 0.00 0.00 179.25 179.60 2a3j h SER 55 N -0.56 0.02 -0.01 0.00 0.87 -0.48 0.32 113.55 113.71 2a3j h SER 55 Ca -0.06 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2a3j h SER 55 Cb 0.43 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2a3j h SER 55 CO 0.09 0.01 0.03 -1.28 -0.53 0.00 0.00 176.83 175.15 2a3j h SER 56 N 0.02 0.00 0.00 6.23 0.87 -0.94 -3.36 113.55 116.38 2a3j h SER 56 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2a3j h SER 56 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 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 -3.24 0.00 -4.65 2.24 1.13 -0.04 -5.11 117.38 107.71 2a3j n GLN 57 Ca -0.03 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.74 2a3j n GLN 57 Cb 0.10 -0.07 -0.10 0.00 0.11 0.00 0.00 30.24 30.28 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 -2.36 2.62 0.40 1.08 0.00 -0.35 -4.99 107.32 103.71 2a3j s GLY 58 Ca 0.00 -1.90 -0.24 0.00 0.00 0.00 0.00 44.72 42.59 2a3j s GLY 58 CO 0.00 -2.12 1.04 0.99 0.00 0.00 0.00 173.10 173.01 2a3j s ASP 59 N -3.75 6.79 -0.13 1.64 1.01 -1.26 -3.41 116.67 117.57 2a3j s ASP 59 Ca 0.29 2.01 -0.03 0.00 0.71 0.00 0.00 52.55 55.53 2a3j s ASP 59 Cb 0.08 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 2a3j s ASP 59 CO 0.15 -0.47 -0.02 -0.63 0.21 0.00 0.00 175.17 174.41 2a3j s ILE 60 N -1.68 4.06 -0.13 0.77 1.09 -1.26 -1.59 121.20 122.45 2a3j s ILE 60 Ca 0.58 -0.32 0.19 0.00 -1.10 0.00 0.00 60.65 60.00 2a3j s ILE 60 Cb -0.21 -2.74 -0.28 0.00 -1.06 0.00 0.00 42.46 38.16 2a3j s ILE 60 CO 0.27 0.54 0.25 0.18 -0.10 0.00 0.00 174.94 176.07 2a3j n LEU 61 N 2.96 0.02 0.00 2.97 4.77 -0.28 -4.91 117.00 122.53 2a3j n LEU 61 Ca -0.18 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2a3j n LEU 61 Cb 0.53 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 2a3j n LEU 61 CO 0.31 0.30 0.00 -0.67 -1.33 0.00 0.00 177.39 176.00 2a3j n ASP 62 N -2.57 0.00 -4.38 -1.43 2.03 -1.21 -5.04 116.55 103.95 2a3j n ASP 62 Ca -0.21 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.70 2a3j n ASP 62 Cb 0.93 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 41.21 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 4.47 0.05 5.18 1.01 -1.26 -1.29 121.20 129.35 2a3j s ILE 63 Ca 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 2a3j s ILE 63 Cb 0.00 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 2a3j s ILE 63 CO 0.00 -0.15 0.29 -0.69 0.00 0.00 0.00 174.94 174.39 2a3j s VAL 64 N 1.55 5.27 -0.11 2.92 1.01 0.11 -4.99 120.40 126.16 2a3j s VAL 64 Ca 0.02 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 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 0.27 0.26 -0.69 0.00 0.00 0.00 175.10 175.00 2a3j s VAL 65 N -1.40 -0.03 0.00 2.92 1.01 -1.26 -0.21 120.40 121.43 2a3j s VAL 65 Ca 0.31 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2a3j s VAL 65 Cb -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2a3j s VAL 65 CO 0.19 0.05 0.00 0.47 0.00 0.00 0.00 175.10 175.81 2a3j n ASP 66 N 3.98 -0.77 -1.31 3.32 9.92 -1.17 -4.86 116.55 125.66 2a3j n ASP 66 Ca -0.23 -0.04 0.04 0.00 -0.53 0.00 0.00 54.79 54.03 2a3j n ASP 66 Cb 0.54 0.00 0.24 0.00 -0.64 0.00 0.00 41.12 41.26 2a3j n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a3j n LEU 67 N 0.00 3.75 -3.48 0.64 -0.00 -1.26 -4.92 117.00 111.73 2a3j n LEU 67 Ca 0.00 -1.90 -0.17 0.00 -0.00 0.00 0.00 56.01 53.93 2a3j n LEU 67 Cb 0.00 -0.61 0.02 0.00 -0.00 0.00 0.00 43.42 42.83 2a3j n LEU 67 CO 0.00 0.47 0.03 -1.20 -0.00 0.00 0.00 177.39 176.69 2a3j n SER 68 N 0.36 -6.13 -4.79 1.45 7.64 -1.26 -4.93 113.62 105.96 2a3j n SER 68 Ca 0.16 -0.65 -0.36 0.00 1.01 0.00 0.00 58.87 59.03 2a3j n SER 68 Cb 0.80 -3.62 -0.05 0.00 -1.01 0.00 0.00 64.21 60.33 2a3j n SER 68 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2a3j s ASP 69 N -3.15 6.81 0.00 6.43 1.11 -1.26 -4.75 116.67 121.86 2a3j s ASP 69 Ca 0.16 1.98 0.21 0.00 0.18 0.00 0.00 52.55 55.08 2a3j s ASP 69 Cb -0.05 -2.58 1.01 0.00 1.07 0.00 0.00 42.92 42.36 2a3j s ASP 69 CO 0.83 -0.45 1.67 -0.67 1.18 0.00 0.00 175.17 177.73 2a3j n ASP 70 N -0.10 0.00 0.00 0.27 -0.08 -1.26 -1.46 116.55 113.92 2a3j n ASP 70 Ca 0.05 0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 2a3j n ASP 70 Cb 0.50 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.61 2a3j n ASP 70 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2a3j n ASN 71 N -1.36 0.06 0.00 1.67 4.13 -1.26 -4.91 115.26 113.60 2a3j n ASN 71 Ca 0.08 -0.53 0.00 0.00 1.68 0.00 0.00 54.58 55.81 2a3j n ASN 71 Cb 0.19 0.93 0.00 0.00 -1.54 0.00 0.00 39.78 39.36 2a3j n ASN 71 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2a3j n SER 72 N -0.93 0.00 -2.92 6.41 2.88 -1.10 -5.10 113.62 112.85 2a3j n SER 72 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2a3j n SER 72 Cb 0.00 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 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 3.57 -2.49 3.56 0.46 0.00 -0.54 -4.57 105.19 105.19 2a3j n GLY 73 Ca 0.00 0.33 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.44 2.04 0.14 1.61 -2.85 -1.26 -3.05 119.74 114.93 2a3j s LYS 74 Ca 0.02 -1.75 -0.24 0.00 -1.00 0.00 0.00 55.97 53.00 2a3j s LYS 74 Cb -0.00 0.49 0.08 0.00 -2.06 0.00 0.00 37.83 36.33 2a3j s LYS 74 CO 0.49 -0.88 1.06 0.00 0.10 0.00 0.00 175.35 176.13 2a3j s ALA 75 N -2.76 -1.73 -0.09 0.59 0.00 -0.46 -3.03 121.76 114.29 2a3j s ALA 75 Ca 0.28 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 2a3j s ALA 75 Cb -0.02 0.70 0.04 0.00 0.00 0.00 0.00 23.12 23.85 2a3j s ALA 75 CO 0.20 -1.07 0.19 0.71 0.00 0.00 0.00 175.76 175.79 2a3j s TYR 76 N -2.45 -0.24 -0.31 0.00 1.51 0.71 -0.63 117.35 115.94 2a3j s TYR 76 Ca 0.19 0.64 -0.06 0.00 -1.01 0.00 0.00 57.07 56.84 2a3j s TYR 76 Cb -0.01 -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 0.08 0.42 -1.11 0.00 0.00 175.55 174.75 2a3j s ILE 77 N 1.49 3.80 -0.16 2.71 1.01 0.01 0.04 121.20 130.11 2a3j s ILE 77 Ca -0.06 -0.92 -0.22 0.00 0.00 0.00 0.00 60.65 59.44 2a3j s ILE 77 Cb -0.11 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 2a3j s ILE 77 CO -0.07 -0.03 0.68 -0.69 0.00 0.00 0.00 174.94 174.83 2a3j s VAL 78 N 1.44 5.00 0.55 2.92 1.01 -0.42 -1.48 120.40 129.43 2a3j s VAL 78 Ca 0.00 1.33 0.06 0.00 0.00 0.00 0.00 61.98 63.38 2a3j s VAL 78 Cb -0.18 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.25 2a3j s VAL 78 CO 0.02 0.14 0.50 -0.36 0.00 0.00 0.00 175.10 175.39 2a3j s PHE 79 N 1.64 1.56 0.14 5.22 0.08 0.85 -1.13 117.98 126.34 2a3j s PHE 79 Ca 0.33 -0.82 -0.14 0.00 0.12 0.00 0.00 56.93 56.42 2a3j s PHE 79 Cb -0.16 -1.98 0.02 0.00 -0.57 0.00 0.00 43.02 40.32 2a3j s PHE 79 CO 0.12 -0.64 1.67 0.00 -0.10 0.00 0.00 175.22 176.27 2a3j h ALA 80 N 0.61 0.61 -2.66 5.36 0.00 -1.54 -3.41 119.26 118.23 2a3j h ALA 80 Ca -0.35 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.48 2a3j h ALA 80 Cb 1.30 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 2a3j h ALA 80 CO 0.53 0.27 0.35 0.99 0.00 0.00 0.00 179.25 181.39 2a3j s THR 81 N -5.40 0.00 0.54 0.00 2.01 -1.26 -4.91 115.64 106.61 2a3j s THR 81 Ca -0.13 -0.59 0.30 0.00 0.31 0.00 0.00 61.69 61.59 2a3j s THR 81 Cb 0.11 -1.70 0.46 0.00 0.01 0.00 0.00 72.50 71.38 2a3j s THR 81 CO 0.78 0.00 1.92 -0.61 -0.69 0.00 0.00 174.62 176.01 2a3j h GLN 82 N 2.00 0.00 0.09 4.92 -0.00 -1.88 -0.83 115.11 119.41 2a3j h GLN 82 Ca -0.24 -0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.43 2a3j h GLN 82 Cb 1.25 -0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.71 2a3j h GLN 82 CO 0.27 0.00 -0.18 0.93 0.00 0.00 0.00 178.83 179.85 2a3j h GLU 83 N 0.00 -0.33 -0.10 1.69 5.08 -1.95 0.11 114.58 119.07 2a3j h GLU 83 Ca 0.38 0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.64 2a3j h GLU 83 Cb 1.53 0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.86 2a3j h GLU 83 CO -0.00 -0.22 -0.43 0.77 -1.00 0.00 0.00 179.01 178.12 2a3j h SER 84 N -0.35 0.56 -0.04 1.42 0.02 -1.64 -3.06 113.55 110.46 2a3j h SER 84 Ca 0.03 -0.63 0.04 0.00 -0.84 0.00 0.00 61.79 60.38 2a3j h SER 84 Cb 0.37 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 2a3j h SER 84 CO -0.11 1.10 -0.30 0.00 -1.14 0.00 0.00 176.83 176.38 2a3j h ALA 85 N 0.48 -0.39 -0.91 3.77 0.00 -1.10 -0.93 119.26 120.17 2a3j h ALA 85 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.02 2a3j h ALA 85 Cb 1.07 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 19.32 2a3j h ALA 85 CO 0.09 -0.79 0.58 0.37 0.00 0.00 0.00 179.25 179.50 2a3j h GLN 86 N -0.42 0.76 -0.08 0.00 4.15 -0.87 0.28 115.11 118.93 2a3j h GLN 86 Ca 0.07 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 2a3j h GLN 86 Cb 0.53 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 2a3j h GLN 86 CO -0.28 0.50 0.03 0.00 -1.93 0.00 0.00 178.83 177.16 2a3j h ALA 87 N 1.58 0.10 -0.34 3.38 0.00 -1.14 -0.31 119.26 122.53 2a3j h ALA 87 Ca 0.45 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 2a3j h ALA 87 Cb 0.63 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2a3j h ALA 87 CO -0.22 -0.32 -0.30 0.35 0.00 0.00 0.00 179.25 178.76 2a3j h PHE 88 N -0.02 0.85 -0.72 0.00 3.04 -0.34 0.26 116.94 120.02 2a3j h PHE 88 Ca 0.03 -0.22 -0.06 0.00 3.98 0.00 0.00 57.97 61.70 2a3j h PHE 88 Cb 0.15 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.43 2a3j h PHE 88 CO -0.02 0.95 0.20 0.28 -2.02 0.00 0.00 178.31 177.70 2a3j h VAL 89 N 0.63 1.26 0.00 1.41 2.07 -0.34 -1.35 116.25 119.92 2a3j h VAL 89 Ca 0.07 -0.93 -0.16 0.00 0.82 0.00 0.00 66.70 66.50 2a3j h VAL 89 Cb 0.82 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2a3j h VAL 89 CO 0.07 0.36 -0.92 1.05 0.02 0.00 0.00 177.57 178.15 2a3j h GLU 90 N 1.07 0.00 0.00 1.57 4.11 -0.95 0.25 114.58 120.63 2a3j h GLU 90 Ca 0.23 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.66 2a3j h GLU 90 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2a3j h GLU 90 CO -0.00 0.55 -0.01 0.00 0.07 0.00 0.00 179.01 179.62 2a3j h ALA 91 N 1.34 1.00 0.00 1.06 0.00 -0.25 -3.23 119.26 119.19 2a3j h ALA 91 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2a3j h ALA 91 Cb 1.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2a3j h ALA 91 CO 0.08 0.01 0.00 1.19 0.00 0.00 0.00 179.25 180.52 2a3j n PHE 92 N -3.10 0.00 -0.35 0.00 3.01 -0.53 -4.79 117.46 111.70 2a3j n PHE 92 Ca 0.02 -0.26 0.29 0.00 1.01 0.00 0.00 57.45 58.52 2a3j n PHE 92 Cb 0.41 -0.03 0.61 0.00 -0.01 0.00 0.00 39.48 40.46 2a3j n PHE 92 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 2a3j h GLN 93 N 0.00 0.21 -2.07 -1.08 5.75 -0.51 -2.67 115.11 114.73 2a3j h GLN 93 Ca 0.00 -0.01 -0.51 0.00 -0.15 0.00 0.00 58.65 57.97 2a3j h GLN 93 Cb 0.65 -0.05 -0.40 0.00 1.07 0.00 0.00 27.48 28.74 2a3j h GLN 93 CO 0.00 0.14 -1.05 0.41 -2.65 0.00 0.00 178.83 175.69 2a3j n GLY 94 N -1.58 4.06 3.13 2.39 0.00 -1.26 -4.73 105.19 107.20 2a3j n GLY 94 Ca 0.28 -1.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.58 1.63 -0.48 1.61 6.14 -1.01 -5.09 117.35 117.56 2a3j s TYR 95 Ca 0.42 -0.42 -0.27 0.00 0.64 0.00 0.00 57.07 57.43 2a3j s TYR 95 Cb 0.31 -1.09 -0.02 0.00 0.42 0.00 0.00 41.96 41.59 2a3j s TYR 95 CO -0.09 -0.13 1.78 -1.25 0.64 0.00 0.00 175.55 176.50 2a3j s PRO 96 N -0.07 3.01 0.04 4.97 0.04 -1.26 -4.35 135.00 137.39 2a3j s PRO 96 Ca -0.01 0.96 0.04 0.00 0.04 0.00 0.00 61.00 62.03 2a3j s PRO 96 Cb -0.10 -4.27 -0.02 0.00 0.04 0.00 0.00 34.50 30.15 2a3j s PRO 96 CO 0.01 -2.26 -0.11 0.12 0.04 0.00 0.00 177.00 174.80 2a3j s PHE 97 N 7.79 0.98 -1.39 0.56 5.36 -1.24 -4.74 117.98 125.30 2a3j s PHE 97 Ca 0.71 -0.39 0.00 0.00 -0.96 0.00 0.00 56.93 56.29 2a3j s PHE 97 Cb -0.16 -0.58 0.00 0.00 -0.34 0.00 0.00 43.02 41.94 2a3j s PHE 97 CO 0.27 0.00 0.00 0.94 -1.46 0.00 0.00 175.22 174.97 2a3j n GLN 98 N 1.76 -1.83 0.00 10.12 0.00 -1.26 -2.70 117.38 123.46 2a3j n GLN 98 Ca -0.19 0.78 0.00 0.00 -0.00 0.00 0.00 57.00 57.59 2a3j n GLN 98 Cb 0.55 -5.31 0.00 0.00 0.00 0.00 0.00 30.24 25.48 2a3j n GLN 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2a3j n GLY 99 N -0.70 2.82 0.00 1.69 0.00 -1.26 -4.33 105.19 103.42 2a3j n GLY 99 Ca -0.17 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.57 1.61 5.15 -1.10 -5.00 115.26 111.36 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 2.90 -0.11 1.20 0.04 -1.26 -3.65 135.00 134.12 2a3j s PRO 101 Ca 0.00 0.86 -0.00 0.00 0.04 0.00 0.00 61.00 61.89 2a3j s PRO 101 Cb 0.00 -4.31 0.02 0.00 0.04 0.00 0.00 34.50 30.26 2a3j s PRO 101 CO 0.00 -2.40 -0.08 -1.17 0.04 0.00 0.00 177.00 173.39 2a3j s LEU 102 N 8.18 1.22 -0.05 -3.56 2.96 -1.26 -4.54 118.68 121.63 2a3j s LEU 102 Ca 0.70 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 54.36 2a3j s LEU 102 Cb -0.15 -0.83 -0.02 0.00 0.50 0.00 0.00 46.19 45.68 2a3j s LEU 102 CO 0.25 -0.11 -0.20 0.68 -1.32 0.00 0.00 176.35 175.65 2a3j s VAL 103 N 1.62 2.53 -0.06 1.68 -7.23 -1.25 -4.67 120.40 113.02 2a3j s VAL 103 Ca 0.03 -0.91 -0.00 0.00 -1.81 0.00 0.00 61.98 59.29 2a3j s VAL 103 Cb -0.13 -1.96 0.03 0.00 0.56 0.00 0.00 36.38 34.88 2a3j s VAL 103 CO -0.07 0.58 -0.02 0.27 -0.31 0.00 0.00 175.10 175.55 2a3j s ILE 104 N -0.43 0.45 0.18 -0.62 -0.00 -1.26 -3.65 121.20 115.87 2a3j s ILE 104 Ca 0.05 0.02 -0.06 0.00 -0.00 0.00 0.00 60.65 60.65 2a3j s ILE 104 Cb -0.12 -0.55 -0.02 0.00 -0.00 0.00 0.00 42.46 41.77 2a3j s ILE 104 CO 0.02 0.25 0.25 0.42 -0.00 0.00 0.00 174.94 175.87 2a3j s THR 105 N 1.55 0.04 0.64 8.37 -4.23 -1.16 -4.91 115.64 115.93 2a3j s THR 105 Ca -0.01 -1.63 -0.08 0.00 -1.18 0.00 0.00 61.69 58.78 2a3j s THR 105 Cb -0.13 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.61 2a3j s THR 105 CO -0.03 -0.19 0.98 -0.36 -0.54 0.00 0.00 174.62 174.47 2a3j s PHE 106 N -4.04 3.27 0.22 3.99 0.08 -1.26 -0.12 117.98 120.12 2a3j s PHE 106 Ca 0.25 0.79 0.02 0.00 0.12 0.00 0.00 56.93 58.11 2a3j s PHE 106 Cb 0.04 -2.88 -0.01 0.00 -0.57 0.00 0.00 43.02 39.60 2a3j s PHE 106 CO 0.05 -0.98 0.09 0.43 -0.10 0.00 0.00 175.22 174.71 2a3j n SER 107 N -2.75 0.96 -4.87 1.36 7.64 -0.68 -4.46 113.62 110.81 2a3j n SER 107 Ca 0.05 -2.18 -0.34 0.00 1.01 0.00 0.00 58.87 57.41 2a3j n SER 107 Cb 0.58 0.59 -0.05 0.00 -1.01 0.00 0.00 64.21 64.31 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 -2.83 3.72 -0.46 1.43 2.02 -1.26 -4.69 118.70 116.63 2a3j s GLU 108 Ca 0.12 0.12 0.08 0.00 0.02 0.00 0.00 54.97 55.31 2a3j s GLU 108 Cb 0.01 -2.99 0.27 0.00 0.10 0.00 0.00 34.13 31.52 2a3j s GLU 108 CO 0.09 0.56 0.62 0.25 0.02 0.00 0.00 175.26 176.79 2a3j n THR 109 N 0.83 0.27 -1.09 3.63 -2.24 -1.26 -4.97 114.28 109.44 2a3j n THR 109 Ca -0.08 -4.44 -0.30 0.00 -2.27 0.00 0.00 64.05 56.96 2a3j n THR 109 Cb 0.52 -1.75 0.23 0.00 -2.10 0.00 0.00 70.33 67.23 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 -1.75 -1.07 0.00 -0.78 0.04 -1.26 -4.98 135.00 125.19 2a3j s PRO 110 Ca 0.37 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.40 2a3j s PRO 110 Cb 0.19 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 33.12 2a3j s PRO 110 CO -0.08 -3.62 0.00 0.94 0.04 0.00 0.00 177.00 174.27 2a3j n GLN 111 N -4.71 0.00 0.27 4.56 7.27 -1.26 -4.94 117.38 118.57 2a3j n GLN 111 Ca 0.12 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.31 2a3j n GLN 111 Cb 0.59 0.00 0.73 0.00 2.41 0.00 0.00 30.24 33.98 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 -0.74 1.69 0.02 -2.04 -2.19 113.55 110.29 2a3j h SER 112 Ca 0.00 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.16 2a3j h SER 112 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2a3j h SER 112 CO 0.00 0.08 0.54 0.06 -1.14 0.00 0.00 176.83 176.38 2a3j h GLN 113 N 0.00 0.00 -0.81 3.45 3.07 -2.01 0.79 115.11 119.60 2a3j h GLN 113 Ca -0.00 0.00 0.23 0.00 0.09 0.00 0.00 58.65 58.97 2a3j h GLN 113 Cb 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.72 2a3j h GLN 113 CO 0.01 0.00 0.59 -0.39 0.09 0.00 0.00 178.83 179.13 2a3j h VAL 114 N 0.00 0.58 -0.41 1.86 -1.51 -1.75 0.21 116.25 115.24 2a3j h VAL 114 Ca 0.35 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.71 2a3j h VAL 114 Cb 1.43 0.59 -0.02 0.00 -2.13 0.00 0.00 31.29 31.17 2a3j h VAL 114 CO -0.00 0.00 -0.20 0.00 -1.23 0.00 0.00 177.57 176.14 2a3j h ALA 115 N 1.59 0.88 -0.31 5.19 0.00 -1.06 -2.96 119.26 122.58 2a3j h ALA 115 Ca 0.38 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2a3j h ALA 115 Cb 1.55 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2a3j h ALA 115 CO -0.00 0.63 -0.28 1.49 0.00 0.00 0.00 179.25 181.09 2a3j h GLU 116 N 0.70 0.64 0.00 0.00 4.81 -0.73 -3.54 114.58 116.46 2a3j h GLU 116 Ca 0.10 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2a3j h GLU 116 Cb 0.71 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2a3j h GLU 116 CO 0.05 0.85 0.00 -0.40 -0.73 0.00 0.00 179.01 178.78