#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 0.56 -0.78 0.04 -1.26 -4.88 135.00 132.25 2a3j s PRO 23 Ca 0.00 1.45 0.34 0.00 0.04 0.00 0.00 61.00 62.83 2a3j s PRO 23 Cb 0.00 -4.10 1.41 0.00 0.04 0.00 0.00 34.50 31.85 2a3j s PRO 23 CO 0.00 -1.57 2.00 -1.00 0.04 0.00 0.00 177.00 176.47 2a3j h PRO 24 N 11.63 0.00 -5.60 0.56 0.13 -2.12 -3.48 132.00 133.11 2a3j h PRO 24 Ca -0.33 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.70 2a3j h PRO 24 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2a3j h PRO 24 CO 1.03 0.00 -0.69 0.72 -0.23 0.00 0.00 178.00 178.83 2a3j n HIS 25 N -3.10 -3.29 0.20 1.56 8.25 -1.26 -4.95 115.22 112.63 2a3j n HIS 25 Ca 0.00 1.34 -0.08 0.00 -0.26 0.00 0.00 57.72 58.73 2a3j n HIS 25 Cb 0.30 -3.51 -0.04 0.00 1.12 0.00 0.00 29.99 27.86 2a3j n HIS 25 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2a3j h THR 26 N 2.04 0.00 -3.86 1.59 2.02 -2.03 -3.47 112.91 109.21 2a3j h THR 26 Ca -0.14 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.93 2a3j h THR 26 Cb 1.09 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.34 2a3j h THR 26 CO 0.21 0.00 -0.48 -1.83 0.37 0.00 0.00 175.52 173.78 2a3j s GLU 27 N -4.12 0.69 0.52 6.66 -1.05 -1.26 -5.16 118.70 114.99 2a3j s GLU 27 Ca -0.07 -0.90 -0.20 0.00 -0.15 0.00 0.00 54.97 53.65 2a3j s GLU 27 Cb 0.01 0.27 -0.06 0.00 -0.44 0.00 0.00 34.13 33.91 2a3j s GLU 27 CO 0.23 -0.19 1.14 -1.25 0.95 0.00 0.00 175.26 176.14 2a3j s PRO 28 N -3.28 3.47 -0.27 -4.83 0.04 -1.26 -5.05 135.00 123.82 2a3j s PRO 28 Ca 0.01 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.71 2a3j s PRO 28 Cb 0.03 -2.12 0.15 0.00 0.04 0.00 0.00 34.50 32.59 2a3j s PRO 28 CO -0.08 -0.77 0.37 -1.12 0.04 0.00 0.00 177.00 175.44 2a3j s SER 29 N -1.65 0.71 -0.18 6.66 0.01 -1.26 -4.42 113.70 113.57 2a3j s SER 29 Ca 0.70 -0.32 0.10 0.00 1.31 0.00 0.00 55.95 57.74 2a3j s SER 29 Cb -0.25 0.93 0.60 0.00 0.21 0.00 0.00 66.02 67.51 2a3j s SER 29 CO 0.29 -0.35 1.42 0.00 0.41 0.00 0.00 173.24 175.01 2a3j n GLN 30 N 5.34 3.83 -4.02 12.44 6.02 -1.26 -3.33 117.38 136.40 2a3j n GLN 30 Ca -0.01 -2.30 -0.14 0.00 -0.01 0.00 0.00 57.00 54.54 2a3j n GLN 30 Cb 0.49 -2.06 -0.14 0.00 1.02 0.00 0.00 30.24 29.55 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 -2.29 0.23 -0.02 5.09 -7.23 -1.26 -0.47 120.40 114.46 2a3j s VAL 31 Ca 0.40 -0.26 0.08 0.00 -1.81 0.00 0.00 61.98 60.39 2a3j s VAL 31 Cb 0.30 -0.23 -0.02 0.00 0.56 0.00 0.00 36.38 37.00 2a3j s VAL 31 CO 0.12 -0.02 -0.25 0.68 -0.31 0.00 0.00 175.10 175.32 2a3j s VAL 32 N -0.28 2.16 -0.24 1.32 -7.23 -0.53 -2.32 120.40 113.28 2a3j s VAL 32 Ca -0.01 -1.11 -0.07 0.00 -1.81 0.00 0.00 61.98 58.99 2a3j s VAL 32 Cb -0.02 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 2a3j s VAL 32 CO -0.00 0.56 0.05 -0.22 -0.31 0.00 0.00 175.10 175.17 2a3j s LEU 33 N -0.70 3.34 0.05 1.32 2.96 0.58 -0.71 118.68 125.53 2a3j s LEU 33 Ca 0.10 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 2a3j s LEU 33 Cb -0.10 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 2a3j s LEU 33 CO -0.00 -0.03 0.01 0.27 -1.32 0.00 0.00 176.35 175.27 2a3j s ILE 34 N 1.59 4.13 0.16 6.68 -0.00 0.10 -3.09 121.20 130.77 2a3j s ILE 34 Ca 0.06 -0.79 0.01 0.00 -0.00 0.00 0.00 60.65 59.93 2a3j s ILE 34 Cb -0.15 -2.91 -0.00 0.00 -0.00 0.00 0.00 42.46 39.39 2a3j s ILE 34 CO 0.02 0.24 0.20 0.35 -0.00 0.00 0.00 174.94 175.75 2a3j n THR 35 N 0.93 0.00 -1.80 8.37 -2.24 -1.24 -1.49 114.28 116.80 2a3j n THR 35 Ca -0.12 -0.96 -0.16 0.00 -2.27 0.00 0.00 64.05 60.54 2a3j n THR 35 Cb 0.52 0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 69.25 2a3j n THR 35 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2a3j n ASN 36 N -2.06 -4.91 -4.80 3.42 2.85 -1.22 -3.98 115.26 104.56 2a3j n ASN 36 Ca 0.01 0.24 -0.38 0.00 -0.11 0.00 0.00 54.58 54.34 2a3j n ASN 36 Cb 0.28 -3.91 -0.06 0.00 1.24 0.00 0.00 39.78 37.33 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 -2.69 5.00 -0.14 -1.44 -4.36 -1.18 -4.77 121.20 111.63 2a3j s ILE 37 Ca 0.00 0.95 -0.29 0.00 -0.26 0.00 0.00 60.65 61.05 2a3j s ILE 37 Cb 0.00 -3.78 -0.02 0.00 1.25 0.00 0.00 42.46 39.91 2a3j s ILE 37 CO 0.00 0.51 1.26 0.20 0.24 0.00 0.00 174.94 177.15 2a3j s ASN 38 N -0.66 6.96 0.00 4.36 -0.87 -1.26 -4.58 114.94 118.89 2a3j s ASN 38 Ca 0.25 1.74 0.15 0.00 -1.57 0.00 0.00 52.86 53.43 2a3j s ASN 38 Cb -0.17 -2.54 0.71 0.00 -0.02 0.00 0.00 41.25 39.23 2a3j s ASN 38 CO 0.14 -0.73 1.42 -0.81 -2.57 0.00 0.00 177.10 174.55 2a3j n PRO 39 N 6.30 0.16 -0.09 -0.60 -0.04 -1.26 -3.30 135.00 136.17 2a3j n PRO 39 Ca 0.13 0.17 0.26 0.00 -0.04 0.00 0.00 63.50 64.02 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 -5.73 0.54 5.08 -1.92 -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 -0.25 0.54 -1.00 0.00 0.00 179.01 178.30 2a3j s VAL 41 N -4.86 5.20 0.32 3.13 0.11 -1.21 -5.06 120.40 118.02 2a3j s VAL 41 Ca -0.05 0.72 -0.29 0.00 -2.93 0.00 0.00 61.98 59.44 2a3j s VAL 41 Cb 0.19 -3.69 -0.10 0.00 -1.53 0.00 0.00 36.38 31.25 2a3j s VAL 41 CO 0.69 0.45 1.22 -2.16 -3.33 0.00 0.00 175.10 171.98 2a3j s PRO 42 N -0.10 4.45 0.46 1.54 0.04 -1.26 -4.72 135.00 135.40 2a3j s PRO 42 Ca 0.21 2.04 0.28 0.00 0.04 0.00 0.00 61.00 63.57 2a3j s PRO 42 Cb -0.15 -3.10 1.33 0.00 0.04 0.00 0.00 34.50 32.63 2a3j s PRO 42 CO 0.09 -0.04 1.75 -0.22 0.04 0.00 0.00 177.00 178.62 2a3j h LYS 43 N 3.51 0.19 -0.13 4.56 3.64 -1.94 0.38 116.57 126.78 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 32.93 2a3j h LYS 43 CO 0.66 0.13 -0.34 0.93 -2.27 0.00 0.00 179.45 178.55 2a3j h GLU 44 N 0.20 -0.40 0.15 1.90 4.39 -1.99 0.40 114.58 119.23 2a3j h GLU 44 Ca 0.63 0.03 -0.28 0.00 0.34 0.00 0.00 59.36 60.08 2a3j h GLU 44 Cb 2.01 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 30.77 2a3j h GLU 44 CO -0.21 -0.27 -1.33 0.87 -1.16 0.00 0.00 179.01 176.91 2a3j h LYS 45 N -0.42 0.33 -0.47 2.33 1.57 -1.47 -3.15 116.57 115.30 2a3j h LYS 45 Ca 0.09 -0.56 0.09 0.00 -1.87 0.00 0.00 60.65 58.40 2a3j h LYS 45 Cb 0.57 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 33.01 2a3j h LYS 45 CO -0.36 1.27 0.02 1.25 -0.57 0.00 0.00 179.45 181.05 2a3j h LEU 46 N -0.19 -0.16 -0.04 2.94 5.85 -0.24 0.12 115.31 123.60 2a3j h LEU 46 Ca -0.26 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 2a3j h LEU 46 Cb 1.85 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 43.06 2a3j h LEU 46 CO 0.13 -0.05 0.02 -0.61 -0.34 0.00 0.00 178.44 177.59 2a3j h GLN 47 N 0.13 0.06 -0.39 1.25 4.15 -0.34 -1.66 115.11 118.31 2a3j h GLN 47 Ca 0.23 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.72 2a3j h GLN 47 Cb 0.34 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 2a3j h GLN 47 CO -0.37 0.20 0.27 0.00 -1.93 0.00 0.00 178.83 177.00 2a3j h ALA 48 N 0.86 2.11 -0.03 3.38 0.00 -1.36 -2.23 119.26 121.98 2a3j h ALA 48 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2a3j h ALA 48 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2a3j h ALA 48 CO -0.00 -0.20 -0.08 -0.07 0.00 0.00 0.00 179.25 178.90 2a3j h LEU 49 N 0.20 0.13 -2.05 0.00 -0.00 -0.40 -2.97 115.31 110.23 2a3j h LEU 49 Ca 0.18 -0.60 0.12 0.00 -0.00 0.00 0.00 57.88 57.58 2a3j h LEU 49 Cb 0.45 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.06 2a3j h LEU 49 CO -0.03 0.71 0.35 -0.07 -0.00 0.00 0.00 178.44 179.40 2a3j h LEU 50 N -0.44 0.00 -0.06 1.67 3.38 -0.73 -1.13 115.31 117.99 2a3j h LEU 50 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2a3j h LEU 50 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2a3j h LEU 50 CO 0.02 0.00 -0.27 0.22 0.09 0.00 0.00 178.44 178.49 2a3j h TYR 51 N 0.00 0.39 -0.19 1.13 5.03 -1.39 -2.17 116.97 119.77 2a3j h TYR 51 Ca 0.19 -0.17 0.05 0.00 2.58 0.00 0.00 58.73 61.39 2a3j h TYR 51 Cb 0.90 -0.06 -0.07 0.00 1.55 0.00 0.00 36.73 39.05 2a3j h TYR 51 CO 0.00 0.90 -0.29 0.00 -1.32 0.00 0.00 178.16 177.44 2a3j h ALA 52 N 0.42 -0.27 -0.52 1.82 0.00 -1.05 0.21 119.26 119.86 2a3j h ALA 52 Ca -0.02 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2a3j h ALA 52 Cb 0.93 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 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 0.72 0.13 0.00 3.38 -1.60 -2.24 115.31 115.37 2a3j h LEU 53 Ca 0.12 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2a3j h LEU 53 Cb 0.51 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2a3j h LEU 53 CO -0.38 0.70 -0.23 0.00 0.09 0.00 0.00 178.44 178.62 2a3j h ALA 54 N 1.05 -0.40 -0.36 1.53 0.00 -0.69 -1.77 119.26 118.63 2a3j h ALA 54 Ca 0.17 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2a3j h ALA 54 Cb 0.20 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2a3j h ALA 54 CO -0.01 -0.77 0.25 1.03 0.00 0.00 0.00 179.25 179.75 2a3j h SER 55 N -0.43 0.22 -0.08 0.00 0.87 -0.55 0.21 113.55 113.78 2a3j h SER 55 Ca 0.02 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2a3j h SER 55 Cb 0.45 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2a3j h SER 55 CO -0.12 0.14 0.14 -1.28 -0.53 0.00 0.00 176.83 175.18 2a3j h SER 56 N 0.25 0.00 0.00 6.23 0.87 -0.69 -3.35 113.55 116.86 2a3j h SER 56 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2a3j h SER 56 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2a3j h SER 56 CO -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.27 2a3j n GLN 57 N -3.52 0.00 -4.60 2.24 1.13 -0.08 -5.11 117.38 107.44 2a3j n GLN 57 Ca -0.01 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.78 2a3j n GLN 57 Cb 0.23 -0.12 -0.11 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 -2.29 2.46 0.45 1.08 0.00 -0.36 -5.00 107.32 103.65 2a3j s GLY 58 Ca 0.00 -2.14 -0.23 0.00 0.00 0.00 0.00 44.72 42.35 2a3j s GLY 58 CO 0.00 -2.05 1.09 0.99 0.00 0.00 0.00 173.10 173.13 2a3j s ASP 59 N -3.68 6.42 -0.12 1.64 1.01 -1.26 -3.42 116.67 117.26 2a3j s ASP 59 Ca 0.33 2.10 -0.02 0.00 0.71 0.00 0.00 52.55 55.68 2a3j s ASP 59 Cb 0.09 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 2a3j s ASP 59 CO 0.17 -0.73 -0.04 -0.63 0.21 0.00 0.00 175.17 174.14 2a3j s ILE 60 N -1.70 3.87 -0.12 0.77 1.09 -1.26 -1.80 121.20 122.05 2a3j s ILE 60 Ca 0.63 -0.38 0.20 0.00 -1.10 0.00 0.00 60.65 59.99 2a3j s ILE 60 Cb -0.23 -2.66 -0.28 0.00 -1.06 0.00 0.00 42.46 38.23 2a3j s ILE 60 CO 0.28 0.53 0.31 0.18 -0.10 0.00 0.00 174.94 176.14 2a3j n LEU 61 N 3.03 0.06 0.00 2.97 4.77 -0.41 -4.91 117.00 122.51 2a3j n LEU 61 Ca -0.18 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2a3j n LEU 61 Cb 0.53 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 2a3j n LEU 61 CO 0.31 0.25 0.00 -0.67 -1.33 0.00 0.00 177.39 175.95 2a3j n ASP 62 N -2.54 0.00 -4.40 -1.43 2.03 -1.21 -5.04 116.55 103.94 2a3j n ASP 62 Ca -0.19 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.73 2a3j n ASP 62 Cb 0.88 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 41.16 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 4.59 0.03 5.18 1.01 -1.26 -1.24 121.20 129.50 2a3j s ILE 63 Ca 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 2a3j s ILE 63 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 2a3j s ILE 63 CO 0.00 -0.10 0.21 -0.69 0.00 0.00 0.00 174.94 174.36 2a3j s VAL 64 N 1.58 5.40 -0.08 2.92 1.01 0.12 -4.99 120.40 126.36 2a3j s VAL 64 Ca 0.03 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 2a3j s VAL 64 Cb -0.18 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.63 2a3j s VAL 64 CO 0.06 0.22 0.19 -0.69 0.00 0.00 0.00 175.10 174.88 2a3j s VAL 65 N -1.44 -0.01 0.00 2.92 1.01 -1.26 -0.22 120.40 121.40 2a3j s VAL 65 Ca 0.32 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2a3j s VAL 65 Cb -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 35.97 2a3j s VAL 65 CO 0.24 0.02 0.00 -0.67 0.00 0.00 0.00 175.10 174.68 2a3j n ASP 66 N 3.28 -0.65 -1.45 3.32 2.03 -0.97 -4.87 116.55 117.24 2a3j n ASP 66 Ca -0.16 -0.04 0.04 0.00 0.52 0.00 0.00 54.79 55.15 2a3j n ASP 66 Cb 0.57 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 41.24 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 4.23 -3.65 -2.67 -0.00 -1.26 -4.92 117.00 108.73 2a3j n LEU 67 Ca 0.00 -2.15 -0.29 0.00 -0.00 0.00 0.00 56.01 53.57 2a3j n LEU 67 Cb 0.00 -0.63 0.04 0.00 -0.00 0.00 0.00 43.42 42.83 2a3j n LEU 67 CO 0.00 0.51 -0.07 -0.24 -0.00 0.00 0.00 177.39 177.59 2a3j n SER 68 N 0.40 -4.92 -4.79 1.45 2.88 -1.26 -4.93 113.62 102.43 2a3j n SER 68 Ca 0.19 -0.98 -0.35 0.00 -1.33 0.00 0.00 58.87 56.41 2a3j n SER 68 Cb 0.90 -3.58 -0.04 0.00 -0.75 0.00 0.00 64.21 60.73 2a3j n SER 68 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2a3j s ASP 69 N -3.56 6.64 0.00 -3.46 -1.08 -1.26 -4.81 116.67 109.13 2a3j s ASP 69 Ca 0.42 1.92 0.24 0.00 -0.52 0.00 0.00 52.55 54.62 2a3j s ASP 69 Cb -0.14 -2.57 1.23 0.00 -1.46 0.00 0.00 42.92 39.99 2a3j s ASP 69 CO 0.85 -0.57 1.81 -0.67 0.52 0.00 0.00 175.17 177.10 2a3j n ASP 70 N -0.52 0.00 0.00 -0.34 -0.08 -1.26 -1.72 116.55 112.63 2a3j n ASP 70 Ca 0.07 -0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2a3j n ASP 70 Cb 0.52 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 43.70 2a3j n ASP 70 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2a3j n ASN 71 N -1.28 0.07 0.00 1.67 5.15 -1.26 -4.90 115.26 114.71 2a3j n ASN 71 Ca 0.12 -0.52 0.00 0.00 -0.60 0.00 0.00 54.58 53.58 2a3j n ASN 71 Cb 0.19 0.89 0.00 0.00 -0.53 0.00 0.00 39.78 40.33 2a3j n ASN 71 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2a3j n SER 72 N -0.89 0.00 -2.95 1.20 7.64 -1.14 -5.10 113.62 112.38 2a3j n SER 72 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 2a3j n SER 72 Cb 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 3.29 -2.24 3.73 0.23 0.00 -0.70 -4.60 105.19 104.90 2a3j n GLY 73 Ca 0.00 0.43 -0.10 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 -1.56 2.15 0.17 1.61 -2.85 -1.26 -3.11 119.74 114.89 2a3j s LYS 74 Ca 0.05 -1.51 -0.22 0.00 -1.00 0.00 0.00 55.97 53.29 2a3j s LYS 74 Cb -0.01 0.58 0.08 0.00 -2.06 0.00 0.00 37.83 36.42 2a3j s LYS 74 CO 0.52 -0.98 1.05 0.00 0.10 0.00 0.00 175.35 176.04 2a3j n ALA 75 N -0.54 -2.76 -3.72 0.59 0.00 -0.56 -2.30 120.51 111.23 2a3j n ALA 75 Ca -0.06 -1.02 -0.14 0.00 0.00 0.00 0.00 53.44 52.23 2a3j n ALA 75 Cb 0.60 0.55 -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 -2.09 -0.25 -0.32 0.00 1.51 0.69 -0.73 117.35 116.17 2a3j s TYR 76 Ca 0.23 0.66 -0.07 0.00 -1.01 0.00 0.00 57.07 56.88 2a3j s TYR 76 Cb -0.03 -0.07 0.02 0.00 -0.11 0.00 0.00 41.96 41.78 2a3j s TYR 76 CO 0.05 -0.23 0.11 0.42 -1.11 0.00 0.00 175.55 174.79 2a3j s ILE 77 N 1.53 3.97 -0.15 2.71 1.01 0.11 0.15 121.20 130.53 2a3j s ILE 77 Ca -0.06 -0.89 -0.23 0.00 0.00 0.00 0.00 60.65 59.47 2a3j s ILE 77 Cb -0.11 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 2a3j s ILE 77 CO -0.07 -0.06 0.70 -0.69 0.00 0.00 0.00 174.94 174.82 2a3j s VAL 78 N 1.47 5.00 0.56 2.92 1.01 -0.38 -1.45 120.40 129.52 2a3j s VAL 78 Ca 0.01 1.38 0.06 0.00 0.00 0.00 0.00 61.98 63.42 2a3j s VAL 78 Cb -0.18 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.22 2a3j s VAL 78 CO 0.03 0.14 0.44 -0.36 0.00 0.00 0.00 175.10 175.35 2a3j s PHE 79 N 1.60 1.52 0.18 5.22 0.08 0.38 -1.29 117.98 125.67 2a3j s PHE 79 Ca 0.34 -0.86 -0.11 0.00 0.12 0.00 0.00 56.93 56.42 2a3j s PHE 79 Cb -0.17 -1.92 0.10 0.00 -0.57 0.00 0.00 43.02 40.46 2a3j s PHE 79 CO 0.13 -0.57 1.74 0.00 -0.10 0.00 0.00 175.22 176.43 2a3j h ALA 80 N 0.67 0.84 -2.46 5.36 0.00 -1.61 -3.41 119.26 118.65 2a3j h ALA 80 Ca -0.36 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 54.51 2a3j h ALA 80 Cb 1.30 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 2a3j h ALA 80 CO 0.56 0.46 0.43 0.99 0.00 0.00 0.00 179.25 181.68 2a3j s THR 81 N -5.55 0.00 0.53 0.00 2.01 -1.26 -4.93 115.64 106.44 2a3j s THR 81 Ca -0.13 -0.54 0.30 0.00 0.31 0.00 0.00 61.69 61.63 2a3j s THR 81 Cb 0.14 -1.73 0.46 0.00 0.01 0.00 0.00 72.50 71.37 2a3j s THR 81 CO 0.81 0.00 1.92 -0.61 -0.69 0.00 0.00 174.62 176.04 2a3j h GLN 82 N 2.00 0.01 0.06 4.92 -0.00 -1.88 -0.96 115.11 119.25 2a3j h GLN 82 Ca -0.24 -0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.43 2a3j h GLN 82 Cb 1.24 -0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.69 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 0.01 -0.31 -0.09 1.69 4.39 -1.95 0.16 114.58 118.47 2a3j h GLU 83 Ca 0.38 0.02 -0.11 0.00 0.34 0.00 0.00 59.36 60.00 2a3j h GLU 83 Cb 1.53 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.26 2a3j h GLU 83 CO -0.01 -0.21 -0.36 0.77 -1.16 0.00 0.00 179.01 178.04 2a3j h SER 84 N -0.33 0.47 -0.00 1.42 0.02 -1.64 -3.03 113.55 110.47 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 0.37 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 2a3j h SER 84 CO -0.13 1.03 -0.32 0.00 -1.14 0.00 0.00 176.83 176.26 2a3j h ALA 85 N 0.46 -0.47 -0.89 3.77 0.00 -1.13 -1.04 119.26 119.96 2a3j h ALA 85 Ca -0.02 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.01 2a3j h ALA 85 Cb 1.00 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 19.28 2a3j h ALA 85 CO 0.08 -0.84 0.50 0.37 0.00 0.00 0.00 179.25 179.36 2a3j h GLN 86 N -0.48 0.73 -0.09 0.00 -0.00 -0.78 0.14 115.11 114.64 2a3j h GLN 86 Ca 0.06 -0.04 0.01 0.00 -0.00 0.00 0.00 58.65 58.67 2a3j h GLN 86 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 27.87 2a3j h GLN 86 CO -0.27 0.48 0.04 0.00 0.00 0.00 0.00 178.83 179.08 2a3j h ALA 87 N 1.54 0.10 -0.33 3.38 0.00 -1.20 -0.87 119.26 121.89 2a3j h ALA 87 Ca 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.30 2a3j h ALA 87 Cb 0.58 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2a3j h ALA 87 CO -0.32 -0.42 -0.14 0.35 0.00 0.00 0.00 179.25 178.72 2a3j h PHE 88 N 0.09 0.62 -0.34 0.00 3.04 -0.31 0.26 116.94 120.30 2a3j h PHE 88 Ca 0.03 -0.11 -0.02 0.00 3.98 0.00 0.00 57.97 61.86 2a3j h PHE 88 Cb 0.01 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 2a3j h PHE 88 CO -0.09 0.69 0.13 0.28 -2.02 0.00 0.00 178.31 177.30 2a3j h VAL 89 N 0.52 1.19 0.00 1.41 2.07 -0.35 -1.62 116.25 119.47 2a3j h VAL 89 Ca 0.09 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 2a3j h VAL 89 Cb 0.55 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2a3j h VAL 89 CO 0.03 0.21 -0.29 -0.33 0.02 0.00 0.00 177.57 177.22 2a3j h GLU 90 N 0.40 0.00 0.00 1.57 4.39 -1.03 0.25 114.58 120.17 2a3j h GLU 90 Ca 0.11 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 2a3j h GLU 90 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2a3j h GLU 90 CO -0.01 0.18 -0.26 0.00 -1.16 0.00 0.00 179.01 177.76 2a3j h ALA 91 N 1.81 0.91 0.00 3.43 0.00 -0.22 -3.26 119.26 121.94 2a3j h ALA 91 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 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 0.32 0.00 1.19 0.00 0.00 0.00 179.25 180.79 2a3j n PHE 92 N -3.28 0.00 -0.31 0.00 3.01 -0.63 -4.75 117.46 111.49 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 0.53 -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 0.38 -0.04 -0.41 0.00 0.21 0.00 0.00 27.48 27.62 2a3j h GLN 93 CO 0.00 0.13 -0.99 0.41 -1.93 0.00 0.00 178.83 176.45 2a3j n GLY 94 N -1.61 4.09 2.99 2.39 0.00 -1.26 -4.78 105.19 107.00 2a3j n GLY 94 Ca 0.25 -2.04 -0.19 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 -2.49 0.81 -0.49 1.61 6.14 -1.03 -5.10 117.35 116.80 2a3j s TYR 95 Ca 0.41 -0.19 -0.27 0.00 0.64 0.00 0.00 57.07 57.66 2a3j s TYR 95 Cb 0.29 -0.58 -0.02 0.00 0.42 0.00 0.00 41.96 42.07 2a3j s TYR 95 CO -0.09 -0.08 1.79 -1.25 0.64 0.00 0.00 175.55 176.56 2a3j s PRO 96 N 0.14 2.99 0.04 4.97 0.04 -1.26 -4.37 135.00 137.55 2a3j s PRO 96 Ca -0.02 0.93 0.04 0.00 0.04 0.00 0.00 61.00 62.00 2a3j s PRO 96 Cb -0.07 -4.28 -0.02 0.00 0.04 0.00 0.00 34.50 30.17 2a3j s PRO 96 CO 0.00 -2.29 -0.12 0.12 0.04 0.00 0.00 177.00 174.75 2a3j s PHE 97 N 7.88 1.04 -1.77 0.56 5.36 -1.23 -4.73 117.98 125.09 2a3j s PHE 97 Ca 0.71 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 56.30 2a3j s PHE 97 Cb -0.16 -0.61 0.00 0.00 -0.34 0.00 0.00 43.02 41.90 2a3j s PHE 97 CO 0.27 0.01 0.00 1.04 -1.46 0.00 0.00 175.22 175.08 2a3j n GLN 98 N 1.77 -1.60 0.00 10.12 1.13 -1.26 -2.76 117.38 124.77 2a3j n GLN 98 Ca -0.19 0.99 0.00 0.00 -1.94 0.00 0.00 57.00 55.86 2a3j n GLN 98 Cb 0.55 -5.46 0.00 0.00 0.11 0.00 0.00 30.24 25.43 2a3j n GLN 98 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2a3j n GLY 99 N -0.61 3.05 0.00 1.08 0.00 -1.26 -4.61 105.19 102.84 2a3j n GLY 99 Ca -0.20 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.59 1.61 4.13 -1.11 -5.00 115.26 110.30 2a3j n ASN 100 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 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 3.26 -0.08 3.52 0.04 -1.26 -3.54 135.00 136.94 2a3j s PRO 101 Ca 0.00 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2a3j s PRO 101 Cb 0.00 -4.20 0.02 0.00 0.04 0.00 0.00 34.50 30.37 2a3j s PRO 101 CO 0.00 -1.95 -0.06 -1.17 0.04 0.00 0.00 177.00 173.86 2a3j s LEU 102 N 6.97 1.15 -0.05 -3.56 2.96 -1.26 -4.71 118.68 120.18 2a3j s LEU 102 Ca 0.74 -0.21 0.06 0.00 -0.22 0.00 0.00 54.13 54.50 2a3j s LEU 102 Cb -0.19 -0.66 -0.01 0.00 0.50 0.00 0.00 46.19 45.83 2a3j s LEU 102 CO 0.31 -0.10 -0.25 0.54 -1.32 0.00 0.00 176.35 175.53 2a3j s VAL 103 N 1.42 2.07 -0.05 1.68 0.11 -1.26 -4.72 120.40 119.65 2a3j s VAL 103 Ca -0.02 -1.07 -0.01 0.00 -2.93 0.00 0.00 61.98 57.96 2a3j s VAL 103 Cb -0.13 -1.74 0.03 0.00 -1.53 0.00 0.00 36.38 33.00 2a3j s VAL 103 CO -0.04 0.57 0.00 0.27 -3.33 0.00 0.00 175.10 172.58 2a3j s ILE 104 N -0.23 0.28 0.19 7.04 -0.00 -1.26 -3.71 121.20 123.51 2a3j s ILE 104 Ca -0.02 0.11 -0.06 0.00 -0.00 0.00 0.00 60.65 60.68 2a3j s ILE 104 Cb -0.13 -0.41 -0.02 0.00 -0.00 0.00 0.00 42.46 41.90 2a3j s ILE 104 CO 0.03 0.21 0.25 0.42 -0.00 0.00 0.00 174.94 175.85 2a3j s THR 105 N 1.53 0.03 0.02 8.37 -4.23 -1.18 -4.88 115.64 115.30 2a3j s THR 105 Ca -0.02 -1.66 -0.00 0.00 -1.18 0.00 0.00 61.69 58.82 2a3j s THR 105 Cb -0.13 -2.18 0.01 0.00 1.34 0.00 0.00 72.50 71.54 2a3j s THR 105 CO -0.03 -0.14 0.03 0.49 -0.54 0.00 0.00 174.62 174.42 2a3j n PHE 106 N -0.26 -3.78 -3.79 3.99 3.72 -1.26 -0.30 117.46 115.77 2a3j n PHE 106 Ca -0.03 -0.02 -0.08 0.00 -0.05 0.00 0.00 57.45 57.27 2a3j n PHE 106 Cb 0.64 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 39.14 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 -0.94 -4.64 4.37 2.88 -0.98 -3.67 113.62 107.62 2a3j n SER 107 Ca 0.00 -2.12 -0.35 0.00 -1.33 0.00 0.00 58.87 55.08 2a3j n SER 107 Cb 0.01 1.71 -0.10 0.00 -0.75 0.00 0.00 64.21 65.08 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 -2.40 3.84 -0.51 -1.46 2.02 -1.26 -4.76 118.70 114.16 2a3j s GLU 108 Ca 0.16 -0.35 0.07 0.00 0.02 0.00 0.00 54.97 54.87 2a3j s GLU 108 Cb -0.01 -3.15 0.25 0.00 0.10 0.00 0.00 34.13 31.31 2a3j s GLU 108 CO 0.12 0.34 0.62 0.25 0.02 0.00 0.00 175.26 176.60 2a3j n THR 109 N 3.32 0.77 -0.98 3.63 -2.24 -1.26 -5.06 114.28 112.47 2a3j n THR 109 Ca -0.17 -4.58 -0.26 0.00 -2.27 0.00 0.00 64.05 56.77 2a3j n THR 109 Cb 0.52 -2.02 0.22 0.00 -2.10 0.00 0.00 70.33 66.95 2a3j n THR 109 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2a3j n PRO 110 N 1.20 -2.89 0.00 -0.78 -0.04 -1.26 -4.97 135.00 126.27 2a3j n PRO 110 Ca 0.25 -1.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 2a3j n PRO 110 Cb 0.47 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 -4.42 0.00 0.12 0.54 7.27 -1.26 -4.95 117.38 114.67 2a3j n GLN 111 Ca 0.13 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.20 2a3j n GLN 111 Cb 0.51 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.16 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 -0.77 1.69 0.02 -2.04 -3.24 113.55 109.20 2a3j h SER 112 Ca 0.00 0.00 0.22 0.00 -0.84 0.00 0.00 61.79 61.17 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 0.65 0.55 0.06 -1.14 0.00 0.00 176.83 176.95 2a3j h GLN 113 N 0.00 0.04 -0.71 3.45 -0.00 -2.01 0.11 115.11 116.00 2a3j h GLN 113 Ca -0.01 -0.00 0.20 0.00 -0.00 0.00 0.00 58.65 58.84 2a3j h GLN 113 Cb 1.48 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.48 28.92 2a3j h GLN 113 CO 0.08 0.03 0.50 -0.39 -0.00 0.00 0.00 178.83 179.06 2a3j h VAL 114 N 0.04 0.66 -0.66 1.86 -1.51 -1.97 0.80 116.25 115.47 2a3j h VAL 114 Ca 0.37 -0.02 0.15 0.00 -1.23 0.00 0.00 66.70 65.97 2a3j h VAL 114 Cb 1.41 0.61 -0.04 0.00 -2.13 0.00 0.00 31.29 31.14 2a3j h VAL 114 CO -0.02 0.01 0.46 0.00 -1.23 0.00 0.00 177.57 176.79 2a3j h ALA 115 N 1.65 2.28 -0.30 5.19 0.00 -1.02 0.80 119.26 127.86 2a3j h ALA 115 Ca 0.34 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.30 2a3j h ALA 115 Cb 1.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2a3j h ALA 115 CO -0.02 -0.46 0.21 1.49 0.00 0.00 0.00 179.25 180.46 2a3j h GLU 116 N 0.24 0.15 -0.03 0.00 4.57 -1.02 -3.54 114.58 114.96 2a3j h GLU 116 Ca 0.32 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 2a3j h GLU 116 Cb 0.92 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 2a3j h GLU 116 CO -0.07 0.10 0.00 -0.25 -1.18 0.00 0.00 179.01 177.61