#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 0.13 -2.82 0.04 -1.26 -4.90 135.00 129.76 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 -0.06 0.00 0.04 0.00 0.00 34.50 30.38 2a3j s PRO 23 CO 0.00 -1.57 1.46 -1.00 0.04 0.00 0.00 177.00 175.93 2a3j h PRO 24 N 11.65 0.87 -1.56 0.56 0.13 -2.12 -3.46 132.00 138.06 2a3j h PRO 24 Ca -0.33 -0.46 0.08 0.00 -0.87 0.00 0.00 66.00 64.43 2a3j h PRO 24 Cb 1.15 0.02 -0.27 0.00 0.13 0.00 0.00 31.00 32.03 2a3j h PRO 24 CO 1.03 1.10 0.44 -3.38 -0.23 0.00 0.00 178.00 176.95 2a3j s HIS 25 N -4.39 -0.51 -1.04 1.56 -3.43 -1.26 -5.08 115.29 101.14 2a3j s HIS 25 Ca -0.11 1.13 -0.03 0.00 -0.80 0.00 0.00 55.06 55.25 2a3j s HIS 25 Cb 0.10 0.37 0.31 0.00 -1.43 0.00 0.00 32.58 31.93 2a3j s HIS 25 CO 0.87 -0.25 1.49 0.25 -2.00 0.00 0.00 174.74 175.10 2a3j n THR 26 N 2.80 5.28 -1.33 -5.38 -2.24 -1.26 -4.99 114.28 107.17 2a3j n THR 26 Ca -0.15 -5.91 0.06 0.00 -2.27 0.00 0.00 64.05 55.78 2a3j n THR 26 Cb 0.57 -1.98 -0.03 0.00 -2.10 0.00 0.00 70.33 66.78 2a3j n THR 26 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a3j n GLU 27 N 1.05 -3.34 -1.19 -0.78 1.02 -1.26 -4.93 120.64 111.21 2a3j n GLU 27 Ca 0.30 2.64 -0.29 0.00 -0.02 0.00 0.00 57.16 59.78 2a3j n GLU 27 Cb 0.32 -3.45 0.16 0.00 -0.02 0.00 0.00 31.44 28.45 2a3j n GLU 27 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2a3j s PRO 28 N -4.84 0.86 -0.29 3.49 0.04 -1.26 -5.05 135.00 127.95 2a3j s PRO 28 Ca 0.00 0.67 0.03 0.00 0.04 0.00 0.00 61.00 61.74 2a3j s PRO 28 Cb 0.00 -1.77 0.19 0.00 0.04 0.00 0.00 34.50 32.95 2a3j s PRO 28 CO 0.00 -2.48 0.56 -1.12 0.04 0.00 0.00 177.00 174.00 2a3j s SER 29 N -3.44 -1.21 -0.20 6.66 0.01 -1.26 -4.46 113.70 109.80 2a3j s SER 29 Ca 0.64 0.37 0.09 0.00 1.31 0.00 0.00 55.95 58.36 2a3j s SER 29 Cb -0.18 1.92 0.60 0.00 0.21 0.00 0.00 66.02 68.57 2a3j s SER 29 CO 0.57 -0.29 1.48 0.00 0.41 0.00 0.00 173.24 175.41 2a3j n GLN 30 N 5.41 3.64 -4.02 12.44 6.02 -1.26 -3.36 117.38 136.26 2a3j n GLN 30 Ca 0.02 -2.36 -0.13 0.00 -0.01 0.00 0.00 57.00 54.52 2a3j n GLN 30 Cb 0.52 -2.05 -0.13 0.00 1.02 0.00 0.00 30.24 29.60 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 -2.35 0.24 -0.01 5.09 -7.23 -1.26 -0.65 120.40 114.23 2a3j s VAL 31 Ca 0.41 -0.36 0.08 0.00 -1.81 0.00 0.00 61.98 60.30 2a3j s VAL 31 Cb 0.32 -0.25 -0.02 0.00 0.56 0.00 0.00 36.38 36.99 2a3j s VAL 31 CO 0.11 -0.09 -0.26 0.68 -0.31 0.00 0.00 175.10 175.24 2a3j s VAL 32 N -0.45 2.02 -0.25 1.32 -7.23 -0.56 -2.28 120.40 112.96 2a3j s VAL 32 Ca -0.03 -1.14 -0.07 0.00 -1.81 0.00 0.00 61.98 58.94 2a3j s VAL 32 Cb -0.04 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 2a3j s VAL 32 CO -0.00 0.53 0.05 -0.22 -0.31 0.00 0.00 175.10 175.15 2a3j s LEU 33 N -0.71 3.43 0.04 1.32 2.96 0.79 -0.72 118.68 125.80 2a3j s LEU 33 Ca 0.10 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 2a3j s LEU 33 Cb -0.10 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2a3j s LEU 33 CO -0.00 -0.06 0.04 0.27 -1.32 0.00 0.00 176.35 175.28 2a3j s ILE 34 N 1.57 4.38 0.15 6.68 -0.00 0.02 -3.05 121.20 130.95 2a3j s ILE 34 Ca 0.06 -0.70 0.01 0.00 -0.00 0.00 0.00 60.65 60.02 2a3j s ILE 34 Cb -0.15 -3.04 -0.01 0.00 -0.00 0.00 0.00 42.46 39.26 2a3j s ILE 34 CO 0.02 0.23 0.16 0.35 -0.00 0.00 0.00 174.94 175.70 2a3j n THR 35 N 0.86 0.00 -1.96 8.37 -2.24 -1.24 -1.53 114.28 116.54 2a3j n THR 35 Ca -0.11 -0.91 -0.15 0.00 -2.27 0.00 0.00 64.05 60.61 2a3j n THR 35 Cb 0.52 0.50 -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 -2.21 -4.60 -4.84 3.42 2.85 -1.23 -3.99 115.26 104.66 2a3j n ASN 36 Ca 0.02 0.13 -0.37 0.00 -0.11 0.00 0.00 54.58 54.25 2a3j n ASN 36 Cb 0.25 -3.61 -0.06 0.00 1.24 0.00 0.00 39.78 37.60 2a3j n ASN 36 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2a3j s ILE 37 N -2.67 5.37 -0.11 -1.44 -4.36 -1.17 -4.79 121.20 112.03 2a3j s ILE 37 Ca 0.00 0.39 -0.28 0.00 -0.26 0.00 0.00 60.65 60.50 2a3j s ILE 37 Cb 0.00 -3.50 -0.02 0.00 1.25 0.00 0.00 42.46 40.19 2a3j s ILE 37 CO 0.00 0.57 0.95 0.20 0.24 0.00 0.00 174.94 176.90 2a3j s ASN 38 N -0.78 7.18 0.00 4.36 -0.87 -1.26 -4.50 114.94 119.07 2a3j s ASN 38 Ca 0.17 1.45 0.15 0.00 -1.57 0.00 0.00 52.86 53.05 2a3j s ASN 38 Cb -0.13 -2.53 0.72 0.00 -0.02 0.00 0.00 41.25 39.29 2a3j s ASN 38 CO 0.06 -0.40 1.42 -0.81 -2.57 0.00 0.00 177.10 174.79 2a3j n PRO 39 N 4.87 0.17 -0.13 -0.60 -0.04 -1.26 -3.32 135.00 134.68 2a3j n PRO 39 Ca 0.07 0.17 0.27 0.00 -0.04 0.00 0.00 63.50 63.97 2a3j n PRO 39 Cb 0.49 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.17 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 -5.78 0.54 5.08 -1.91 -3.39 114.58 109.12 2a3j h GLU 40 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 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 -0.20 0.54 -1.00 0.00 0.00 179.01 178.35 2a3j s VAL 41 N -4.90 5.16 0.30 3.13 0.11 -1.21 -5.06 120.40 117.93 2a3j s VAL 41 Ca -0.05 0.82 -0.29 0.00 -2.93 0.00 0.00 61.98 59.53 2a3j s VAL 41 Cb 0.20 -3.74 -0.10 0.00 -1.53 0.00 0.00 36.38 31.22 2a3j s VAL 41 CO 0.73 0.43 1.23 -2.16 -3.33 0.00 0.00 175.10 172.00 2a3j s PRO 42 N -0.04 4.46 0.46 1.54 0.04 -1.26 -4.73 135.00 135.47 2a3j s PRO 42 Ca 0.23 2.06 0.28 0.00 0.04 0.00 0.00 61.00 63.61 2a3j s PRO 42 Cb -0.15 -3.12 1.33 0.00 0.04 0.00 0.00 34.50 32.60 2a3j s PRO 42 CO 0.10 -0.05 1.76 -0.22 0.04 0.00 0.00 177.00 178.63 2a3j h LYS 43 N 3.66 0.19 -0.15 4.56 3.11 -1.95 0.36 116.57 126.36 2a3j h LYS 43 Ca -0.48 -0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.40 2a3j h LYS 43 Cb 1.22 -0.04 -0.07 0.00 -1.00 0.00 0.00 32.23 32.34 2a3j h LYS 43 CO 0.67 0.13 -0.34 1.49 -2.81 0.00 0.00 179.45 178.58 2a3j h GLU 44 N 0.19 -0.39 0.15 1.90 4.22 -1.99 0.41 114.58 119.07 2a3j h GLU 44 Ca 0.62 0.03 -0.27 0.00 0.08 0.00 0.00 59.36 59.82 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 -0.20 -0.26 -1.31 0.87 -2.18 0.00 0.00 179.01 175.93 2a3j h LYS 45 N -0.41 0.31 -0.47 1.92 1.57 -1.48 -3.13 116.57 114.89 2a3j h LYS 45 Ca 0.10 -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 -0.38 1.26 0.00 1.25 -0.57 0.00 0.00 179.45 181.01 2a3j h LEU 46 N -0.22 -0.19 -0.08 2.94 5.85 -0.28 0.16 115.31 123.50 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 1.82 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 43.04 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 0.12 -0.36 1.25 4.15 -0.33 -1.74 115.11 118.31 2a3j h GLN 47 Ca 0.23 -0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.69 2a3j h GLN 47 Cb 0.34 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 2a3j h GLN 47 CO -0.38 0.27 0.25 0.00 -1.93 0.00 0.00 178.83 177.04 2a3j h ALA 48 N 0.84 2.08 0.01 3.38 0.00 -1.35 -2.28 119.26 121.94 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 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2a3j h ALA 48 CO -0.00 -0.15 -0.01 -0.07 0.00 0.00 0.00 179.25 179.02 2a3j h LEU 49 N 0.21 -0.01 -2.04 0.00 -0.00 -0.36 -2.86 115.31 110.24 2a3j h LEU 49 Ca 0.16 -0.59 0.12 0.00 -0.00 0.00 0.00 57.88 57.58 2a3j h LEU 49 Cb 0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.03 2a3j h LEU 49 CO -0.03 0.59 0.35 -0.07 -0.00 0.00 0.00 178.44 179.28 2a3j h LEU 50 N -0.62 0.00 -0.07 1.67 3.38 -0.84 -1.18 115.31 117.65 2a3j h LEU 50 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2a3j h LEU 50 Cb 0.60 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 -0.29 0.22 0.09 0.00 0.00 178.44 178.46 2a3j h TYR 51 N 0.00 0.42 -0.20 1.13 5.03 -1.37 -2.19 116.97 119.79 2a3j h TYR 51 Ca 0.20 -0.18 0.06 0.00 2.58 0.00 0.00 58.73 61.38 2a3j h TYR 51 Cb 0.89 -0.07 -0.07 0.00 1.55 0.00 0.00 36.73 39.04 2a3j h TYR 51 CO 0.00 0.91 -0.30 0.00 -1.32 0.00 0.00 178.16 177.46 2a3j h ALA 52 N 0.43 -0.28 -0.55 1.82 0.00 -0.98 0.20 119.26 119.90 2a3j h ALA 52 Ca -0.02 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2a3j h ALA 52 Cb 0.94 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2a3j h ALA 52 CO 0.06 -0.75 0.21 -0.07 0.00 0.00 0.00 179.25 178.70 2a3j h LEU 53 N -0.33 0.77 0.14 0.00 3.38 -1.60 -2.26 115.31 115.41 2a3j h LEU 53 Ca 0.12 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2a3j h LEU 53 Cb 0.52 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2a3j h LEU 53 CO -0.38 0.74 -0.23 0.00 0.09 0.00 0.00 178.44 178.66 2a3j h ALA 54 N 1.06 -0.41 -0.25 1.53 0.00 -0.70 -1.75 119.26 118.74 2a3j h ALA 54 Ca 0.18 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2a3j h ALA 54 Cb 0.22 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2a3j h ALA 54 CO -0.01 -0.77 0.18 1.03 0.00 0.00 0.00 179.25 179.67 2a3j h SER 55 N -0.44 0.11 -0.08 0.00 0.87 -0.55 0.04 113.55 113.50 2a3j h SER 55 Ca 0.02 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2a3j h SER 55 Cb 0.45 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2a3j h SER 55 CO -0.11 0.07 0.14 -1.28 -0.53 0.00 0.00 176.83 175.12 2a3j h SER 56 N 0.13 0.00 0.00 6.23 0.87 -0.70 -3.35 113.55 116.73 2a3j h SER 56 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2a3j h SER 56 Cb 0.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2a3j h SER 56 CO -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.29 2a3j n GLN 57 N -3.51 0.00 -4.65 2.24 1.13 -0.12 -5.11 117.38 107.35 2a3j n GLN 57 Ca -0.01 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.76 2a3j n GLN 57 Cb 0.23 -0.11 -0.10 0.00 0.11 0.00 0.00 30.24 30.36 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 -2.30 2.64 0.43 1.08 0.00 -0.47 -5.01 107.32 103.69 2a3j s GLY 58 Ca 0.00 -1.74 -0.22 0.00 0.00 0.00 0.00 44.72 42.76 2a3j s GLY 58 CO 0.00 -2.11 1.04 0.99 0.00 0.00 0.00 173.10 173.02 2a3j s ASP 59 N -3.75 6.60 -0.12 1.64 1.11 -1.26 -3.43 116.67 117.46 2a3j s ASP 59 Ca 0.27 1.99 -0.02 0.00 0.18 0.00 0.00 52.55 54.97 2a3j s ASP 59 Cb 0.07 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.46 2a3j s ASP 59 CO 0.14 -0.60 -0.05 -0.63 1.18 0.00 0.00 175.17 175.20 2a3j s ILE 60 N -1.79 3.80 -0.13 0.77 1.09 -1.26 -1.69 121.20 121.98 2a3j s ILE 60 Ca 0.62 -0.41 0.19 0.00 -1.10 0.00 0.00 60.65 59.95 2a3j s ILE 60 Cb -0.20 -2.62 -0.26 0.00 -1.06 0.00 0.00 42.46 38.32 2a3j s ILE 60 CO 0.24 0.53 0.32 0.18 -0.10 0.00 0.00 174.94 176.11 2a3j n LEU 61 N 3.08 0.13 0.00 2.97 4.77 -0.39 -4.91 117.00 122.65 2a3j n LEU 61 Ca -0.18 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2a3j n LEU 61 Cb 0.53 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 2a3j n LEU 61 CO 0.31 0.29 0.00 -0.67 -1.33 0.00 0.00 177.39 175.98 2a3j n ASP 62 N -2.61 0.00 -4.40 -1.43 -0.08 -1.21 -5.04 116.55 101.78 2a3j n ASP 62 Ca -0.20 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.68 2a3j n ASP 62 Cb 0.92 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 44.27 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 4.58 0.04 5.18 1.01 -1.26 -1.21 121.20 129.55 2a3j s ILE 63 Ca 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 2a3j s ILE 63 Cb 0.00 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 2a3j s ILE 63 CO 0.00 -0.14 0.27 -0.69 0.00 0.00 0.00 174.94 174.38 2a3j s VAL 64 N 1.57 5.30 -0.05 2.92 1.01 0.13 -4.99 120.40 126.29 2a3j s VAL 64 Ca 0.03 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 2a3j s VAL 64 Cb -0.18 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.64 2a3j s VAL 64 CO 0.07 0.27 0.11 -0.69 0.00 0.00 0.00 175.10 174.85 2a3j s VAL 65 N -1.40 -0.03 0.00 2.92 1.01 -1.26 -0.27 120.40 121.37 2a3j s VAL 65 Ca 0.31 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2a3j s VAL 65 Cb -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.07 2a3j s VAL 65 CO 0.20 0.05 0.00 -0.67 0.00 0.00 0.00 175.10 174.67 2a3j n ASP 66 N 3.72 -0.64 -1.40 3.32 -0.08 -0.97 -4.87 116.55 115.64 2a3j n ASP 66 Ca -0.21 -0.04 0.05 0.00 -1.51 0.00 0.00 54.79 53.08 2a3j n ASP 66 Cb 0.55 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.28 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 4.07 -3.57 -2.67 -0.00 -1.26 -4.93 117.00 108.64 2a3j n LEU 67 Ca 0.00 -2.06 -0.25 0.00 -0.00 0.00 0.00 56.01 53.70 2a3j n LEU 67 Cb 0.00 -0.60 0.03 0.00 -0.00 0.00 0.00 43.42 42.85 2a3j n LEU 67 CO 0.00 0.52 -0.02 -1.20 -0.00 0.00 0.00 177.39 176.69 2a3j n SER 68 N 0.48 -5.76 -4.78 1.45 7.64 -1.26 -4.93 113.62 106.45 2a3j n SER 68 Ca 0.19 -0.85 -0.36 0.00 1.01 0.00 0.00 58.87 58.85 2a3j n SER 68 Cb 0.85 -3.59 -0.05 0.00 -1.01 0.00 0.00 64.21 60.41 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 -3.33 6.85 0.00 6.43 1.11 -1.26 -4.71 116.67 121.77 2a3j s ASP 69 Ca 0.35 1.99 0.20 0.00 0.18 0.00 0.00 52.55 55.27 2a3j s ASP 69 Cb -0.12 -2.58 0.96 0.00 1.07 0.00 0.00 42.92 42.25 2a3j s ASP 69 CO 0.84 -0.42 1.64 0.47 1.18 0.00 0.00 175.17 178.88 2a3j n ASP 70 N -0.01 0.00 -0.00 0.27 8.00 -1.26 -1.39 116.55 122.16 2a3j n ASP 70 Ca 0.05 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2a3j n ASP 70 Cb 0.50 -0.38 -0.00 0.00 -0.02 0.00 0.00 41.12 41.22 2a3j n ASP 70 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2a3j n ASN 71 N -1.38 0.09 0.00 -2.24 3.02 -1.26 -4.90 115.26 108.58 2a3j n ASN 71 Ca 0.08 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 2a3j n ASN 71 Cb 0.19 0.94 0.00 0.00 -0.61 0.00 0.00 39.78 40.31 2a3j n ASN 71 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2a3j n SER 72 N -0.95 0.00 -2.93 6.41 7.64 -1.09 -5.10 113.62 117.59 2a3j n SER 72 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 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 3.53 -2.38 3.68 0.23 0.00 -0.49 -4.61 105.19 105.16 2a3j n GLY 73 Ca 0.00 0.36 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.48 1.93 0.30 1.61 -2.85 -1.26 -3.07 119.74 114.91 2a3j s LYS 74 Ca 0.03 -1.41 -0.18 0.00 -1.00 0.00 0.00 55.97 53.41 2a3j s LYS 74 Cb -0.01 0.54 0.07 0.00 -2.06 0.00 0.00 37.83 36.37 2a3j s LYS 74 CO 0.50 -0.85 0.91 0.00 0.10 0.00 0.00 175.35 176.01 2a3j n ALA 75 N -0.50 -2.23 -3.72 0.59 0.00 -0.58 -2.28 120.51 111.79 2a3j n ALA 75 Ca -0.04 -1.17 -0.13 0.00 0.00 0.00 0.00 53.44 52.10 2a3j n ALA 75 Cb 0.61 0.82 -0.14 0.00 0.00 0.00 0.00 19.45 20.73 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 -2.07 -0.27 -0.32 0.00 1.51 0.63 -0.80 117.35 116.04 2a3j s TYR 76 Ca 0.19 0.69 -0.07 0.00 -1.01 0.00 0.00 57.07 56.88 2a3j s TYR 76 Cb -0.04 -0.05 0.02 0.00 -0.11 0.00 0.00 41.96 41.79 2a3j s TYR 76 CO 0.09 -0.23 0.09 0.42 -1.11 0.00 0.00 175.55 174.81 2a3j s ILE 77 N 1.53 3.88 -0.15 2.71 1.01 0.10 0.20 121.20 130.49 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 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 2a3j s ILE 77 CO -0.07 -0.05 0.71 -0.69 0.00 0.00 0.00 174.94 174.84 2a3j s VAL 78 N 1.45 4.99 0.55 2.92 1.01 -0.35 -1.50 120.40 129.48 2a3j s VAL 78 Ca 0.01 1.39 0.06 0.00 0.00 0.00 0.00 61.98 63.44 2a3j s VAL 78 Cb -0.18 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.22 2a3j s VAL 78 CO 0.03 0.13 0.46 -0.36 0.00 0.00 0.00 175.10 175.35 2a3j s PHE 79 N 1.63 1.58 0.21 5.22 0.08 0.18 -1.26 117.98 125.62 2a3j s PHE 79 Ca 0.34 -0.83 -0.09 0.00 0.12 0.00 0.00 56.93 56.47 2a3j s PHE 79 Cb -0.17 -1.95 0.15 0.00 -0.57 0.00 0.00 43.02 40.49 2a3j s PHE 79 CO 0.13 -0.57 1.79 0.00 -0.10 0.00 0.00 175.22 176.47 2a3j h ALA 80 N 0.67 1.00 -2.35 5.36 0.00 -1.58 -3.41 119.26 118.95 2a3j h ALA 80 Ca -0.36 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.54 2a3j h ALA 80 Cb 1.30 -0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 2a3j h ALA 80 CO 0.55 0.58 0.47 0.99 0.00 0.00 0.00 179.25 181.85 2a3j s THR 81 N -5.67 0.00 0.53 0.00 2.01 -1.26 -4.94 115.64 106.31 2a3j s THR 81 Ca -0.13 -0.46 0.30 0.00 0.31 0.00 0.00 61.69 61.72 2a3j s THR 81 Cb 0.15 -1.67 0.46 0.00 0.01 0.00 0.00 72.50 71.45 2a3j s THR 81 CO 0.82 0.00 1.92 -0.61 -0.69 0.00 0.00 174.62 176.06 2a3j h GLN 82 N 2.00 0.01 0.04 4.92 4.15 -1.88 -0.93 115.11 123.42 2a3j h GLN 82 Ca -0.24 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.20 2a3j h GLN 82 Cb 1.24 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.90 2a3j h GLN 82 CO 0.27 0.00 -0.17 0.93 -1.93 0.00 0.00 178.83 177.94 2a3j h GLU 83 N 0.01 -0.28 -0.09 1.69 4.39 -1.95 0.15 114.58 118.49 2a3j h GLU 83 Ca 0.38 0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.99 2a3j h GLU 83 Cb 1.52 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.24 2a3j h GLU 83 CO -0.01 -0.19 -0.37 0.77 -1.16 0.00 0.00 179.01 178.06 2a3j h SER 84 N -0.29 0.48 0.00 1.42 0.02 -1.63 -3.03 113.55 110.52 2a3j h SER 84 Ca 0.04 -0.63 0.03 0.00 -0.84 0.00 0.00 61.79 60.39 2a3j h SER 84 Cb 0.34 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 2a3j h SER 84 CO -0.13 1.03 -0.32 0.00 -1.14 0.00 0.00 176.83 176.27 2a3j h ALA 85 N 0.46 -0.46 -0.87 3.77 0.00 -1.13 -1.05 119.26 119.98 2a3j h ALA 85 Ca -0.02 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.00 2a3j h ALA 85 Cb 1.01 0.56 -0.09 0.00 0.00 0.00 0.00 17.79 19.27 2a3j h ALA 85 CO 0.08 -0.83 0.49 0.37 0.00 0.00 0.00 179.25 179.36 2a3j h GLN 86 N -0.47 0.72 -0.12 0.00 -0.00 -0.79 0.14 115.11 114.59 2a3j h GLN 86 Ca 0.06 -0.04 0.01 0.00 -0.00 0.00 0.00 58.65 58.68 2a3j h GLN 86 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 27.86 2a3j h GLN 86 CO -0.26 0.48 0.05 0.00 0.00 0.00 0.00 178.83 179.09 2a3j h ALA 87 N 1.53 0.14 -0.37 3.38 0.00 -1.19 -0.87 119.26 121.87 2a3j h ALA 87 Ca 0.46 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.29 2a3j h ALA 87 Cb 0.55 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2a3j h ALA 87 CO -0.31 -0.40 -0.12 0.35 0.00 0.00 0.00 179.25 178.76 2a3j h PHE 88 N 0.11 0.71 -0.37 0.00 3.04 -0.32 0.26 116.94 120.38 2a3j h PHE 88 Ca 0.05 -0.12 -0.02 0.00 3.98 0.00 0.00 57.97 61.86 2a3j h PHE 88 Cb 0.02 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.33 2a3j h PHE 88 CO -0.10 0.75 0.17 0.28 -2.02 0.00 0.00 178.31 177.39 2a3j h VAL 89 N 0.60 1.17 0.00 1.41 2.07 -0.35 -1.48 116.25 119.66 2a3j h VAL 89 Ca 0.10 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 2a3j h VAL 89 Cb 0.56 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2a3j h VAL 89 CO 0.04 0.18 -0.29 -0.33 0.02 0.00 0.00 177.57 177.18 2a3j h GLU 90 N 0.45 0.00 0.00 1.57 4.39 -1.03 0.25 114.58 120.21 2a3j h GLU 90 Ca 0.13 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 2a3j h GLU 90 Cb 0.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2a3j h GLU 90 CO -0.01 0.17 -0.25 0.00 -1.16 0.00 0.00 179.01 177.76 2a3j h ALA 91 N 1.81 0.92 0.00 3.43 0.00 -0.18 -3.26 119.26 121.98 2a3j h ALA 91 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2a3j h ALA 91 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2a3j h ALA 91 CO 0.02 0.31 0.00 1.19 0.00 0.00 0.00 179.25 180.77 2a3j n PHE 92 N -3.27 0.00 -0.31 0.00 3.01 -0.58 -4.76 117.46 111.55 2a3j n PHE 92 Ca 0.01 -0.20 0.28 0.00 1.01 0.00 0.00 57.45 58.56 2a3j n PHE 92 Cb 0.52 -0.02 0.62 0.00 -0.01 0.00 0.00 39.48 40.60 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 0.19 -2.09 -1.08 4.15 -0.53 -2.72 115.11 113.04 2a3j h GLN 93 Ca 0.00 -0.01 -0.53 0.00 0.77 0.00 0.00 58.65 58.88 2a3j h GLN 93 Cb 0.41 -0.04 -0.41 0.00 0.21 0.00 0.00 27.48 27.65 2a3j h GLN 93 CO 0.00 0.13 -1.00 0.41 -1.93 0.00 0.00 178.83 176.44 2a3j n GLY 94 N -1.61 4.10 3.00 2.39 0.00 -1.26 -4.78 105.19 107.03 2a3j n GLY 94 Ca 0.25 -2.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.51 0.90 -0.50 1.61 6.14 -1.03 -5.10 117.35 116.87 2a3j s TYR 95 Ca 0.41 -0.21 -0.27 0.00 0.64 0.00 0.00 57.07 57.64 2a3j s TYR 95 Cb 0.29 -0.63 -0.02 0.00 0.42 0.00 0.00 41.96 42.02 2a3j s TYR 95 CO -0.09 -0.08 1.80 -1.25 0.64 0.00 0.00 175.55 176.56 2a3j s PRO 96 N 0.12 2.95 0.04 4.97 0.04 -1.26 -4.37 135.00 137.48 2a3j s PRO 96 Ca -0.02 0.90 0.05 0.00 0.04 0.00 0.00 61.00 61.97 2a3j s PRO 96 Cb -0.07 -4.29 -0.02 0.00 0.04 0.00 0.00 34.50 30.15 2a3j s PRO 96 CO 0.00 -2.34 -0.14 0.12 0.04 0.00 0.00 177.00 174.69 2a3j s PHE 97 N 8.02 1.19 -1.68 0.56 5.36 -1.24 -4.72 117.98 125.48 2a3j s PHE 97 Ca 0.71 -0.35 0.00 0.00 -0.96 0.00 0.00 56.93 56.32 2a3j s PHE 97 Cb -0.16 -0.71 0.00 0.00 -0.34 0.00 0.00 43.02 41.81 2a3j s PHE 97 CO 0.26 0.03 0.00 1.04 -1.46 0.00 0.00 175.22 175.09 2a3j n GLN 98 N 1.91 -1.63 0.00 10.12 6.02 -1.26 -2.75 117.38 129.79 2a3j n GLN 98 Ca -0.18 0.94 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 2a3j n GLN 98 Cb 0.55 -5.42 0.00 0.00 1.02 0.00 0.00 30.24 26.39 2a3j n GLN 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2a3j n GLY 99 N -0.61 3.03 0.00 1.08 0.00 -1.26 -4.79 105.19 102.63 2a3j n GLY 99 Ca -0.19 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.58 1.61 5.15 -1.11 -4.99 115.26 111.34 2a3j n ASN 100 Ca 0.00 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.57 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 3.10 -0.08 1.20 0.04 -1.26 -3.60 135.00 134.39 2a3j s PRO 101 Ca 0.00 1.03 0.01 0.00 0.04 0.00 0.00 61.00 62.08 2a3j s PRO 101 Cb 0.00 -4.25 0.02 0.00 0.04 0.00 0.00 34.50 30.32 2a3j s PRO 101 CO 0.00 -2.15 -0.07 -1.17 0.04 0.00 0.00 177.00 173.64 2a3j s LEU 102 N 7.51 1.28 -0.05 -3.56 2.96 -1.26 -4.76 118.68 120.79 2a3j s LEU 102 Ca 0.72 -0.23 0.06 0.00 -0.22 0.00 0.00 54.13 54.46 2a3j s LEU 102 Cb -0.17 -0.70 -0.01 0.00 0.50 0.00 0.00 46.19 45.81 2a3j s LEU 102 CO 0.28 -0.07 -0.24 0.54 -1.32 0.00 0.00 176.35 175.55 2a3j s VAL 103 N 1.25 1.93 -0.05 1.68 0.11 -1.26 -4.73 120.40 119.34 2a3j s VAL 103 Ca -0.04 -1.00 -0.00 0.00 -2.93 0.00 0.00 61.98 58.00 2a3j s VAL 103 Cb -0.14 -1.63 0.03 0.00 -1.53 0.00 0.00 36.38 33.11 2a3j s VAL 103 CO -0.02 0.54 -0.00 0.27 -3.33 0.00 0.00 175.10 172.55 2a3j s ILE 104 N -0.17 0.32 0.19 7.04 -0.00 -1.26 -3.65 121.20 123.67 2a3j s ILE 104 Ca -0.02 0.08 -0.06 0.00 -0.00 0.00 0.00 60.65 60.65 2a3j s ILE 104 Cb -0.13 -0.43 -0.02 0.00 -0.00 0.00 0.00 42.46 41.87 2a3j s ILE 104 CO 0.03 0.21 0.26 0.42 -0.00 0.00 0.00 174.94 175.86 2a3j s THR 105 N 1.49 0.03 0.02 8.37 -4.23 -1.17 -4.89 115.64 115.27 2a3j s THR 105 Ca -0.03 -1.66 -0.00 0.00 -1.18 0.00 0.00 61.69 58.82 2a3j s THR 105 Cb -0.13 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.53 2a3j s THR 105 CO -0.03 -0.14 0.03 0.49 -0.54 0.00 0.00 174.62 174.43 2a3j n PHE 106 N -0.26 -3.80 -3.56 3.99 3.72 -1.26 -0.14 117.46 116.13 2a3j n PHE 106 Ca -0.02 -0.03 -0.03 0.00 -0.05 0.00 0.00 57.45 57.32 2a3j n PHE 106 Cb 0.64 -0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 39.15 2a3j n PHE 106 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2a3j n SER 107 N -3.02 -0.43 -4.56 4.37 2.88 -0.97 -3.60 113.62 108.29 2a3j n SER 107 Ca 0.00 -1.48 -0.34 0.00 -1.33 0.00 0.00 58.87 55.72 2a3j n SER 107 Cb 0.01 0.77 -0.11 0.00 -0.75 0.00 0.00 64.21 64.13 2a3j n SER 107 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2a3j s GLU 108 N -2.16 3.45 -0.55 -1.46 -1.05 -1.26 -4.77 118.70 110.90 2a3j s GLU 108 Ca 0.07 -0.48 0.06 0.00 -0.15 0.00 0.00 54.97 54.47 2a3j s GLU 108 Cb -0.01 -2.88 0.23 0.00 -0.44 0.00 0.00 34.13 31.04 2a3j s GLU 108 CO 0.05 0.40 0.61 0.25 0.95 0.00 0.00 175.26 177.52 2a3j n THR 109 N 3.07 0.96 -1.07 1.83 -2.24 -1.26 -5.04 114.28 110.53 2a3j n THR 109 Ca -0.18 -4.63 -0.30 0.00 -2.27 0.00 0.00 64.05 56.67 2a3j n THR 109 Cb 0.53 -2.03 0.25 0.00 -2.10 0.00 0.00 70.33 66.98 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 -1.72 -1.46 -0.27 -0.78 0.04 -1.26 -4.99 135.00 124.56 2a3j s PRO 110 Ca 0.36 -0.15 0.20 0.00 0.04 0.00 0.00 61.00 61.45 2a3j s PRO 110 Cb 0.12 -1.58 0.50 0.00 0.04 0.00 0.00 34.50 33.59 2a3j s PRO 110 CO -0.08 -3.85 1.12 0.00 0.04 0.00 0.00 177.00 174.23 2a3j n GLN 111 N -4.84 2.03 -0.00 4.56 10.64 -1.26 -4.82 117.38 123.68 2a3j n GLN 111 Ca 0.14 -3.62 -0.02 0.00 -1.83 0.00 0.00 57.00 51.68 2a3j n GLN 111 Cb 0.60 -1.71 -0.11 0.00 -0.86 0.00 0.00 30.24 28.15 2a3j n GLN 111 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2a3j n SER 112 N -0.60 0.63 -0.27 2.61 7.64 -1.26 -4.22 113.62 118.15 2a3j n SER 112 Ca 0.13 0.28 0.06 0.00 1.01 0.00 0.00 58.87 60.35 2a3j n SER 112 Cb 0.83 0.45 0.20 0.00 -1.01 0.00 0.00 64.21 64.68 2a3j n SER 112 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2a3j h GLN 113 N 0.00 0.51 -7.16 1.43 3.07 -1.99 -3.42 115.11 107.55 2a3j h GLN 113 Ca -0.23 -0.03 -0.54 0.00 0.09 0.00 0.00 58.65 57.94 2a3j h GLN 113 Cb 1.70 -0.12 0.16 0.00 0.08 0.00 0.00 27.48 29.30 2a3j h GLN 113 CO 0.04 0.34 0.42 0.14 0.09 0.00 0.00 178.83 179.87 2a3j s VAL 114 N -6.00 2.24 0.28 1.86 -7.23 -1.26 -4.92 120.40 105.36 2a3j s VAL 114 Ca -0.12 0.12 0.04 0.00 -1.81 0.00 0.00 61.98 60.21 2a3j s VAL 114 Cb 0.21 -2.79 0.04 0.00 0.56 0.00 0.00 36.38 34.40 2a3j s VAL 114 CO 0.77 -0.05 1.70 0.00 -0.31 0.00 0.00 175.10 177.20 2a3j h ALA 115 N -0.08 1.08 -0.68 1.32 0.00 -1.93 -2.81 119.26 116.16 2a3j h ALA 115 Ca -0.48 -0.39 0.20 0.00 0.00 0.00 0.00 54.91 54.23 2a3j h ALA 115 Cb 1.31 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2a3j h ALA 115 CO 0.50 0.58 0.49 1.49 0.00 0.00 0.00 179.25 182.31 2a3j h GLU 116 N 0.32 0.01 0.00 0.00 4.57 -1.91 -3.53 114.58 114.03 2a3j h GLU 116 Ca 0.04 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2a3j h GLU 116 Cb 0.77 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 2a3j h GLU 116 CO 0.06 0.00 0.00 -3.47 -1.18 0.00 0.00 179.01 174.42