#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 0.17 -0.78 0.04 -1.26 -4.97 135.00 131.77 2a3j s PRO 23 Ca 0.00 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.19 2a3j s PRO 23 Cb 0.00 -4.10 -0.08 0.00 0.04 0.00 0.00 34.50 30.36 2a3j s PRO 23 CO 0.00 -1.57 1.32 -1.25 0.04 0.00 0.00 177.00 175.54 2a3j s PRO 24 N 5.12 4.38 -0.63 0.56 0.04 -1.26 -5.00 135.00 138.22 2a3j s PRO 24 Ca 0.73 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.79 2a3j s PRO 24 Cb -0.22 -3.22 0.16 0.00 0.04 0.00 0.00 34.50 31.26 2a3j s PRO 24 CO 0.32 -0.29 0.44 -1.01 0.04 0.00 0.00 177.00 176.49 2a3j s HIS 25 N 0.39 3.41 -0.08 0.56 3.76 -1.26 -4.84 115.29 117.24 2a3j s HIS 25 Ca 0.59 -2.72 0.14 0.00 -0.15 0.00 0.00 55.06 52.91 2a3j s HIS 25 Cb -0.36 -3.20 -0.20 0.00 1.11 0.00 0.00 32.58 29.93 2a3j s HIS 25 CO 0.36 -0.84 0.19 0.25 -0.85 0.00 0.00 174.74 173.84 2a3j n THR 26 N 3.48 0.48 -4.28 1.30 -2.24 -1.26 -5.02 114.28 106.75 2a3j n THR 26 Ca 0.08 -0.47 -0.17 0.00 -2.27 0.00 0.00 64.05 61.22 2a3j n THR 26 Cb 0.38 -0.24 -0.11 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.68 1.14 0.95 -0.78 1.03 -1.26 -5.15 118.70 111.95 2a3j s GLU 27 Ca -0.06 -1.40 -0.12 0.00 0.03 0.00 0.00 54.97 53.41 2a3j s GLU 27 Cb 0.07 -0.93 0.16 0.00 -0.80 0.00 0.00 34.13 32.63 2a3j s GLU 27 CO 0.59 0.16 1.09 -1.25 -1.33 0.00 0.00 175.26 174.53 2a3j s PRO 28 N -3.22 0.81 -0.29 -4.83 0.04 -1.26 -5.07 135.00 121.18 2a3j s PRO 28 Ca 0.15 0.66 0.02 0.00 0.04 0.00 0.00 61.00 61.87 2a3j s PRO 28 Cb -0.02 -1.77 0.19 0.00 0.04 0.00 0.00 34.50 32.94 2a3j s PRO 28 CO 0.04 -2.51 0.56 -1.12 0.04 0.00 0.00 177.00 174.01 2a3j s SER 29 N -3.43 -1.15 -0.16 6.66 0.01 -1.26 -4.54 113.70 109.82 2a3j s SER 29 Ca 0.64 0.43 0.10 0.00 1.31 0.00 0.00 55.95 58.44 2a3j s SER 29 Cb -0.18 1.92 0.58 0.00 0.21 0.00 0.00 66.02 68.55 2a3j s SER 29 CO 0.57 -0.29 1.40 0.00 0.41 0.00 0.00 173.24 175.33 2a3j n GLN 30 N 5.41 3.72 -4.01 12.44 6.02 -1.26 -3.07 117.38 136.64 2a3j n GLN 30 Ca 0.01 -2.25 -0.11 0.00 -0.01 0.00 0.00 57.00 54.64 2a3j n GLN 30 Cb 0.52 -2.02 -0.12 0.00 1.02 0.00 0.00 30.24 29.64 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 -2.21 0.27 -0.02 5.09 -7.23 -1.26 -0.32 120.40 114.72 2a3j s VAL 31 Ca 0.39 -0.83 0.05 0.00 -1.81 0.00 0.00 61.98 59.78 2a3j s VAL 31 Cb 0.29 -0.36 -0.01 0.00 0.56 0.00 0.00 36.38 36.86 2a3j s VAL 31 CO 0.12 -0.37 -0.16 0.68 -0.31 0.00 0.00 175.10 175.06 2a3j s VAL 32 N -1.20 1.31 -0.23 1.32 -7.23 -0.88 -2.62 120.40 110.86 2a3j s VAL 32 Ca -0.11 -0.69 -0.07 0.00 -1.81 0.00 0.00 61.98 59.29 2a3j s VAL 32 Cb -0.08 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 2a3j s VAL 32 CO -0.00 0.37 0.07 -0.22 -0.31 0.00 0.00 175.10 175.01 2a3j s LEU 33 N -0.27 3.52 0.06 1.32 2.96 0.27 -0.81 118.68 125.72 2a3j s LEU 33 Ca 0.04 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 2a3j s LEU 33 Cb -0.08 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 2a3j s LEU 33 CO -0.00 0.02 -0.05 0.27 -1.32 0.00 0.00 176.35 175.26 2a3j s ILE 34 N 1.31 3.70 0.14 6.68 -0.00 0.09 -2.93 121.20 130.18 2a3j s ILE 34 Ca 0.05 -0.96 0.02 0.00 -0.00 0.00 0.00 60.65 59.75 2a3j s ILE 34 Cb -0.15 -2.69 -0.01 0.00 -0.00 0.00 0.00 42.46 39.62 2a3j s ILE 34 CO 0.03 0.24 0.15 0.35 -0.00 0.00 0.00 174.94 175.72 2a3j n THR 35 N 1.03 0.00 -2.21 8.37 -2.24 -1.24 -1.48 114.28 116.50 2a3j n THR 35 Ca -0.13 -0.93 -0.15 0.00 -2.27 0.00 0.00 64.05 60.57 2a3j n THR 35 Cb 0.52 0.50 -0.01 0.00 -2.10 0.00 0.00 70.33 69.24 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 -2.24 -4.52 -4.81 3.42 2.85 -1.23 -4.02 115.26 104.71 2a3j n ASN 36 Ca 0.02 0.02 -0.36 0.00 -0.11 0.00 0.00 54.58 54.15 2a3j n ASN 36 Cb 0.26 -3.64 -0.07 0.00 1.24 0.00 0.00 39.78 37.57 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 -2.72 5.29 -0.11 -1.44 -4.36 -1.18 -4.78 121.20 111.90 2a3j s ILE 37 Ca 0.00 0.13 -0.30 0.00 -0.26 0.00 0.00 60.65 60.23 2a3j s ILE 37 Cb 0.00 -3.32 -0.01 0.00 1.25 0.00 0.00 42.46 40.37 2a3j s ILE 37 CO 0.00 0.57 1.04 0.20 0.24 0.00 0.00 174.94 176.99 2a3j s ASN 38 N -0.63 7.20 0.00 4.36 -0.87 -1.26 -4.52 114.94 119.22 2a3j s ASN 38 Ca 0.12 1.56 0.15 0.00 -1.57 0.00 0.00 52.86 53.12 2a3j s ASN 38 Cb -0.12 -2.55 0.72 0.00 -0.02 0.00 0.00 41.25 39.28 2a3j s ASN 38 CO 0.02 -0.49 1.42 -0.81 -2.57 0.00 0.00 177.10 174.67 2a3j n PRO 39 N 5.19 0.17 -0.12 -0.60 -0.04 -1.26 -3.32 135.00 135.02 2a3j n PRO 39 Ca 0.09 0.17 0.27 0.00 -0.04 0.00 0.00 63.50 63.99 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 -5.76 0.54 5.08 -1.91 -3.39 114.58 109.14 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 -0.08 0.00 0.50 0.00 0.00 28.75 29.34 2a3j h GLU 40 CO 0.00 0.00 -0.22 0.54 -1.00 0.00 0.00 179.01 178.33 2a3j s VAL 41 N -4.88 5.17 0.30 3.13 0.11 -1.21 -5.06 120.40 117.97 2a3j s VAL 41 Ca -0.05 0.78 -0.29 0.00 -2.93 0.00 0.00 61.98 59.50 2a3j s VAL 41 Cb 0.20 -3.72 -0.10 0.00 -1.53 0.00 0.00 36.38 31.23 2a3j s VAL 41 CO 0.71 0.44 1.23 -2.16 -3.33 0.00 0.00 175.10 172.00 2a3j s PRO 42 N -0.05 4.46 0.46 1.54 0.04 -1.26 -4.73 135.00 135.46 2a3j s PRO 42 Ca 0.22 2.06 0.28 0.00 0.04 0.00 0.00 61.00 63.60 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 0.09 -0.05 1.76 -0.22 0.04 0.00 0.00 177.00 178.62 2a3j h LYS 43 N 3.68 0.19 -0.16 4.56 3.11 -1.94 0.36 116.57 126.37 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 0.93 -2.81 0.00 0.00 179.45 178.02 2a3j h GLU 44 N 0.20 -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 -0.27 0.00 -1.00 0.00 0.00 59.36 58.74 2a3j h GLU 44 Cb 2.00 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 -1.32 0.87 -1.00 0.00 0.00 179.01 177.10 2a3j h LYS 45 N -0.40 0.31 -0.49 2.33 1.57 -1.47 -3.12 116.57 115.29 2a3j h LYS 45 Ca 0.10 -0.53 0.09 0.00 -1.87 0.00 0.00 60.65 58.44 2a3j h LYS 45 Cb 0.56 0.20 -0.08 0.00 0.08 0.00 0.00 32.23 32.99 2a3j h LYS 45 CO -0.38 1.25 0.03 1.25 -0.57 0.00 0.00 179.45 181.03 2a3j h LEU 46 N -0.22 -0.15 -0.09 2.94 5.85 -0.28 0.81 115.31 124.17 2a3j h LEU 46 Ca -0.27 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2a3j h LEU 46 Cb 1.82 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 43.03 2a3j h LEU 46 CO 0.12 -0.04 0.03 -0.61 -0.34 0.00 0.00 178.44 177.59 2a3j h GLN 47 N 0.15 0.14 -0.60 1.25 4.15 -0.33 -1.77 115.11 118.10 2a3j h GLN 47 Ca 0.25 -0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.74 2a3j h GLN 47 Cb 0.36 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.99 2a3j h GLN 47 CO -0.38 0.31 0.40 0.00 -1.93 0.00 0.00 178.83 177.23 2a3j h ALA 48 N 0.82 2.06 0.00 3.38 0.00 -1.34 -1.93 119.26 122.26 2a3j h ALA 48 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2a3j h ALA 48 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2a3j h ALA 48 CO -0.00 -0.20 -0.00 -0.07 0.00 0.00 0.00 179.25 178.98 2a3j h LEU 49 N 0.37 -0.01 -2.00 0.00 -0.00 -0.56 -2.72 115.31 110.39 2a3j h LEU 49 Ca 0.28 -0.60 0.15 0.00 -0.00 0.00 0.00 57.88 57.71 2a3j h LEU 49 Cb 0.60 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.24 2a3j h LEU 49 CO -0.07 0.60 0.37 -0.07 -0.00 0.00 0.00 178.44 179.26 2a3j h LEU 50 N -0.61 0.00 -0.05 1.67 3.38 -0.75 -1.45 115.31 117.51 2a3j h LEU 50 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 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 -0.21 0.22 0.09 0.00 0.00 178.44 178.54 2a3j h TYR 51 N 0.00 0.30 -0.21 1.13 5.03 -1.33 -2.25 116.97 119.64 2a3j h TYR 51 Ca 0.24 -0.13 0.06 0.00 2.58 0.00 0.00 58.73 61.47 2a3j h TYR 51 Cb 0.97 -0.05 -0.07 0.00 1.55 0.00 0.00 36.73 39.13 2a3j h TYR 51 CO 0.00 0.85 -0.28 0.00 -1.32 0.00 0.00 178.16 177.40 2a3j h ALA 52 N 0.40 -0.23 -0.69 1.82 0.00 -0.95 0.22 119.26 119.83 2a3j h ALA 52 Ca -0.01 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2a3j h ALA 52 Cb 0.87 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2a3j h ALA 52 CO 0.04 -0.73 0.25 -0.07 0.00 0.00 0.00 179.25 178.74 2a3j h LEU 53 N -0.31 0.96 0.30 0.00 3.38 -1.57 -2.36 115.31 115.71 2a3j h LEU 53 Ca 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2a3j h LEU 53 Cb 0.50 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2a3j h LEU 53 CO -0.39 0.87 -0.14 0.00 0.09 0.00 0.00 178.44 178.87 2a3j h ALA 54 N 1.26 -0.40 -0.33 1.53 0.00 -0.64 -2.53 119.26 118.15 2a3j h ALA 54 Ca 0.23 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2a3j h ALA 54 Cb 0.24 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2a3j h ALA 54 CO -0.01 -0.71 0.23 1.03 0.00 0.00 0.00 179.25 179.78 2a3j h SER 55 N -0.44 0.15 -0.03 0.00 0.87 -0.49 0.47 113.55 114.08 2a3j h SER 55 Ca -0.04 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2a3j h SER 55 Cb 0.33 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2a3j h SER 55 CO 0.07 0.10 0.07 -1.28 -0.53 0.00 0.00 176.83 175.26 2a3j h SER 56 N 0.18 0.00 0.00 6.23 0.87 -0.97 -3.35 113.55 116.51 2a3j h SER 56 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2a3j h SER 56 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2a3j h SER 56 CO -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.28 2a3j n GLN 57 N -3.35 0.00 -4.70 2.24 1.13 0.01 -5.11 117.38 107.60 2a3j n GLN 57 Ca -0.02 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.73 2a3j n GLN 57 Cb 0.15 -0.10 -0.09 0.00 0.11 0.00 0.00 30.24 30.31 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 -2.33 2.83 0.30 1.08 0.00 -0.34 -4.99 107.32 103.87 2a3j s GLY 58 Ca 0.00 -1.12 -0.27 0.00 0.00 0.00 0.00 44.72 43.33 2a3j s GLY 58 CO 0.00 -2.16 0.95 0.99 0.00 0.00 0.00 173.10 172.88 2a3j s ASP 59 N -3.82 7.41 -0.14 1.64 1.01 -1.26 -3.41 116.67 118.10 2a3j s ASP 59 Ca 0.17 1.90 -0.05 0.00 0.71 0.00 0.00 52.55 55.28 2a3j s ASP 59 Cb 0.05 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2a3j s ASP 59 CO 0.09 -0.02 0.03 -0.63 0.21 0.00 0.00 175.17 174.85 2a3j s ILE 60 N -1.47 4.54 -0.13 0.77 1.09 -1.26 -1.41 121.20 123.32 2a3j s ILE 60 Ca 0.47 -0.14 0.19 0.00 -1.10 0.00 0.00 60.65 60.08 2a3j s ILE 60 Cb -0.21 -2.98 -0.28 0.00 -1.06 0.00 0.00 42.46 37.92 2a3j s ILE 60 CO 0.27 0.53 0.22 0.18 -0.10 0.00 0.00 174.94 176.04 2a3j n LEU 61 N 2.90 0.00 0.00 2.97 4.77 -0.12 -4.91 117.00 122.61 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 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 2a3j n LEU 61 CO 0.32 0.31 0.00 -0.67 -1.33 0.00 0.00 177.39 176.02 2a3j n ASP 62 N -2.56 0.00 -4.39 -1.43 2.03 -1.21 -5.04 116.55 103.95 2a3j n ASP 62 Ca -0.22 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.70 2a3j n ASP 62 Cb 0.93 0.00 -0.12 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 -1.26 121.20 129.38 2a3j s ILE 63 Ca 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 2a3j s ILE 63 Cb 0.00 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 2a3j s ILE 63 CO 0.00 -0.09 0.28 -0.69 0.00 0.00 0.00 174.94 174.44 2a3j s VAL 64 N 1.56 5.30 -0.05 2.92 1.01 0.12 -4.98 120.40 126.27 2a3j s VAL 64 Ca 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 2a3j s VAL 64 Cb -0.18 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.63 2a3j s VAL 64 CO 0.06 0.22 0.12 -0.69 0.00 0.00 0.00 175.10 174.81 2a3j s VAL 65 N -1.45 -0.02 0.00 2.92 1.01 -1.26 -0.22 120.40 121.38 2a3j s VAL 65 Ca 0.33 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2a3j s VAL 65 Cb -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.06 2a3j s VAL 65 CO 0.21 0.04 0.00 -0.67 0.00 0.00 0.00 175.10 174.68 2a3j n ASP 66 N 3.60 -0.63 -1.69 3.32 2.03 -1.03 -4.87 116.55 117.29 2a3j n ASP 66 Ca -0.19 -0.04 -0.05 0.00 0.52 0.00 0.00 54.79 55.02 2a3j n ASP 66 Cb 0.55 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 41.17 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 5.04 -3.77 -2.67 -0.00 -1.26 -4.91 117.00 109.42 2a3j n LEU 67 Ca 0.00 -2.61 -0.33 0.00 -0.00 0.00 0.00 56.01 53.07 2a3j n LEU 67 Cb 0.00 -0.69 0.03 0.00 -0.00 0.00 0.00 43.42 42.77 2a3j n LEU 67 CO 0.00 0.70 -0.10 -1.54 -0.00 0.00 0.00 177.39 176.44 2a3j n SER 68 N -0.08 -4.55 -4.79 1.45 3.41 -1.26 -4.92 113.62 102.88 2a3j n SER 68 Ca 0.31 -1.06 -0.36 0.00 -0.26 0.00 0.00 58.87 57.50 2a3j n SER 68 Cb 1.13 -3.11 -0.04 0.00 -0.26 0.00 0.00 64.21 61.93 2a3j n SER 68 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2a3j s ASP 69 N -3.59 6.80 0.00 4.04 -1.08 -1.26 -4.71 116.67 116.87 2a3j s ASP 69 Ca 0.42 1.98 0.25 0.00 -0.52 0.00 0.00 52.55 54.68 2a3j s ASP 69 Cb -0.16 -2.58 1.27 0.00 -1.46 0.00 0.00 42.92 39.98 2a3j s ASP 69 CO 0.88 -0.46 1.83 0.47 0.52 0.00 0.00 175.17 178.40 2a3j n ASP 70 N -0.13 0.00 -0.00 -0.34 9.92 -1.26 -1.63 116.55 123.11 2a3j n ASP 70 Ca 0.05 -0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 2a3j n ASP 70 Cb 0.50 -0.26 -0.00 0.00 -0.64 0.00 0.00 41.12 40.72 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 -1.26 0.06 0.00 -2.24 3.02 -1.26 -4.91 115.26 108.67 2a3j n ASN 71 Ca 0.12 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 2a3j n ASN 71 Cb 0.19 0.95 0.00 0.00 -0.61 0.00 0.00 39.78 40.30 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 -2.97 6.41 7.64 -1.13 -5.10 113.62 117.52 2a3j n SER 72 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 2a3j n SER 72 Cb 0.00 -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 3.57 -2.10 3.63 0.23 0.00 -0.65 -4.62 105.19 105.25 2a3j n GLY 73 Ca 0.00 0.43 -0.12 0.00 0.00 0.00 0.00 46.02 46.33 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 2.08 0.19 1.61 -2.85 -1.26 -3.08 119.74 114.86 2a3j s LYS 74 Ca 0.06 -1.64 -0.22 0.00 -1.00 0.00 0.00 55.97 53.16 2a3j s LYS 74 Cb -0.01 0.53 0.08 0.00 -2.06 0.00 0.00 37.83 36.36 2a3j s LYS 74 CO 0.51 -0.92 1.03 0.00 0.10 0.00 0.00 175.35 176.07 2a3j s ALA 75 N -2.66 -1.57 -0.09 0.59 0.00 -0.55 -2.47 121.76 115.00 2a3j s ALA 75 Ca 0.24 -0.35 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 2a3j s ALA 75 Cb -0.03 0.76 0.05 0.00 0.00 0.00 0.00 23.12 23.90 2a3j s ALA 75 CO 0.17 -1.06 0.21 0.71 0.00 0.00 0.00 175.76 175.79 2a3j s TYR 76 N -2.18 -0.28 -0.39 0.00 1.51 0.69 -0.74 117.35 115.97 2a3j s TYR 76 Ca 0.22 0.70 -0.07 0.00 -1.01 0.00 0.00 57.07 56.91 2a3j s TYR 76 Cb -0.03 -0.04 0.07 0.00 -0.11 0.00 0.00 41.96 41.85 2a3j s TYR 76 CO 0.05 -0.24 0.19 0.42 -1.11 0.00 0.00 175.55 174.87 2a3j s ILE 77 N 1.52 3.89 -0.12 2.71 1.01 0.01 0.11 121.20 130.33 2a3j s ILE 77 Ca -0.06 -1.41 -0.28 0.00 0.00 0.00 0.00 60.65 58.90 2a3j s ILE 77 Cb -0.11 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 2a3j s ILE 77 CO -0.07 -0.41 0.95 -0.69 0.00 0.00 0.00 174.94 174.72 2a3j s VAL 78 N 1.37 4.82 0.54 2.92 1.01 -0.39 -2.08 120.40 128.59 2a3j s VAL 78 Ca 0.02 1.92 0.06 0.00 0.00 0.00 0.00 61.98 63.98 2a3j s VAL 78 Cb -0.22 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 31.94 2a3j s VAL 78 CO 0.01 0.03 0.44 -0.36 0.00 0.00 0.00 175.10 175.21 2a3j s PHE 79 N 1.95 1.64 0.16 5.22 0.08 0.56 -0.95 117.98 126.65 2a3j s PHE 79 Ca 0.46 -0.82 -0.14 0.00 0.12 0.00 0.00 56.93 56.55 2a3j s PHE 79 Cb -0.18 -1.95 0.05 0.00 -0.57 0.00 0.00 43.02 40.37 2a3j s PHE 79 CO 0.17 -0.52 1.74 0.00 -0.10 0.00 0.00 175.22 176.51 2a3j h ALA 80 N 0.71 0.67 -2.71 5.36 0.00 -1.48 -3.41 119.26 118.40 2a3j h ALA 80 Ca -0.36 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.53 2a3j h ALA 80 Cb 1.30 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 2a3j h ALA 80 CO 0.56 0.24 0.34 0.99 0.00 0.00 0.00 179.25 181.38 2a3j s THR 81 N -5.69 0.00 0.55 0.00 2.01 -1.26 -4.91 115.64 106.34 2a3j s THR 81 Ca -0.13 -0.77 0.29 0.00 0.31 0.00 0.00 61.69 61.39 2a3j s THR 81 Cb 0.12 -1.90 0.44 0.00 0.01 0.00 0.00 72.50 71.17 2a3j s THR 81 CO 0.77 0.00 1.93 -0.61 -0.69 0.00 0.00 174.62 176.02 2a3j h GLN 82 N 2.00 0.00 0.03 4.92 -0.00 -1.87 -0.77 115.11 119.42 2a3j h GLN 82 Ca -0.22 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.44 2a3j h GLN 82 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.71 2a3j h GLN 82 CO 0.25 0.00 -0.06 0.93 0.00 0.00 0.00 178.83 179.95 2a3j h GLU 83 N 0.00 -0.12 -0.07 1.69 5.08 -1.95 0.59 114.58 119.79 2a3j h GLU 83 Ca 0.33 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.61 2a3j h GLU 83 Cb 1.38 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2a3j h GLU 83 CO -0.00 -0.08 -0.30 0.77 -1.00 0.00 0.00 179.01 178.39 2a3j h SER 84 N -0.13 0.39 0.05 1.42 0.02 -1.60 -2.87 113.55 110.83 2a3j h SER 84 Ca 0.02 -0.64 0.03 0.00 -0.84 0.00 0.00 61.79 60.36 2a3j h SER 84 Cb 0.14 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 2a3j h SER 84 CO -0.05 0.96 -0.35 0.00 -1.14 0.00 0.00 176.83 176.26 2a3j h ALA 85 N 0.44 -0.56 -0.55 3.77 0.00 -1.17 -0.61 119.26 120.58 2a3j h ALA 85 Ca -0.02 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2a3j h ALA 85 Cb 0.94 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2a3j h ALA 85 CO 0.06 -0.88 0.37 0.37 0.00 0.00 0.00 179.25 179.17 2a3j h GLN 86 N -0.53 0.39 -0.32 0.00 -0.00 -0.97 0.20 115.11 113.87 2a3j h GLN 86 Ca 0.05 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.63 2a3j h GLN 86 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.98 2a3j h GLN 86 CO -0.25 0.26 0.04 0.00 0.00 0.00 0.00 178.83 178.87 2a3j h ALA 87 N 1.71 0.43 -0.05 3.38 0.00 -0.97 -0.57 119.26 123.20 2a3j h ALA 87 Ca 0.25 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 2a3j h ALA 87 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2a3j h ALA 87 CO -0.07 0.14 -0.77 0.35 0.00 0.00 0.00 179.25 178.90 2a3j h PHE 88 N 0.36 0.47 -0.50 0.00 3.04 -0.25 -0.39 116.94 119.67 2a3j h PHE 88 Ca 0.10 -0.22 -0.10 0.00 3.98 0.00 0.00 57.97 61.73 2a3j h PHE 88 Cb 0.37 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.80 2a3j h PHE 88 CO 0.03 0.98 -0.06 0.28 -2.02 0.00 0.00 178.31 177.52 2a3j h VAL 89 N 0.22 1.27 0.00 1.41 2.07 -0.55 -1.63 116.25 119.04 2a3j h VAL 89 Ca -0.04 -1.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.19 2a3j h VAL 89 Cb 1.36 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 2a3j h VAL 89 CO 0.13 0.41 -0.65 1.05 0.02 0.00 0.00 177.57 178.53 2a3j h GLU 90 N 0.79 0.00 0.00 1.57 -0.00 -1.11 0.25 114.58 116.08 2a3j h GLU 90 Ca 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.44 2a3j h GLU 90 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.35 2a3j h GLU 90 CO 0.04 0.47 -0.27 0.00 -0.00 0.00 0.00 179.01 179.25 2a3j h ALA 91 N 1.49 0.89 0.00 1.06 0.00 -0.92 -3.25 119.26 118.53 2a3j h ALA 91 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2a3j h ALA 91 Cb 1.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2a3j h ALA 91 CO 0.06 0.34 0.00 1.19 0.00 0.00 0.00 179.25 180.84 2a3j n PHE 92 N -3.26 0.00 -0.32 0.00 3.01 -0.62 -4.74 117.46 111.52 2a3j n PHE 92 Ca 0.02 -0.30 0.29 0.00 1.01 0.00 0.00 57.45 58.47 2a3j n PHE 92 Cb 0.55 -0.03 0.63 0.00 -0.01 0.00 0.00 39.48 40.62 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 -2.07 -1.08 4.15 -0.53 -2.74 115.11 113.03 2a3j h GLN 93 Ca 0.00 -0.01 -0.52 0.00 0.77 0.00 0.00 58.65 58.89 2a3j h GLN 93 Cb 0.41 -0.04 -0.40 0.00 0.21 0.00 0.00 27.48 27.66 2a3j h GLN 93 CO 0.00 0.13 -1.04 0.41 -1.93 0.00 0.00 178.83 176.39 2a3j n GLY 94 N -1.61 3.97 3.05 2.39 0.00 -1.26 -4.75 105.19 106.97 2a3j n GLY 94 Ca 0.26 -1.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.46 1.15 -0.50 1.61 6.14 -1.04 -5.10 117.35 117.16 2a3j s TYR 95 Ca 0.41 -0.28 -0.27 0.00 0.64 0.00 0.00 57.07 57.56 2a3j s TYR 95 Cb 0.30 -0.79 -0.02 0.00 0.42 0.00 0.00 41.96 41.87 2a3j s TYR 95 CO -0.09 -0.09 1.79 -1.25 0.64 0.00 0.00 175.55 176.54 2a3j s PRO 96 N 0.05 2.96 0.05 4.97 0.04 -1.26 -4.35 135.00 137.46 2a3j s PRO 96 Ca -0.01 0.91 0.04 0.00 0.04 0.00 0.00 61.00 61.97 2a3j s PRO 96 Cb -0.08 -4.29 -0.02 0.00 0.04 0.00 0.00 34.50 30.15 2a3j s PRO 96 CO 0.01 -2.32 -0.11 0.12 0.04 0.00 0.00 177.00 174.74 2a3j s PHE 97 N 7.95 0.94 -1.69 0.56 5.36 -1.23 -4.74 117.98 125.14 2a3j s PHE 97 Ca 0.71 -0.44 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 2a3j s PHE 97 Cb -0.16 -0.55 0.00 0.00 -0.34 0.00 0.00 43.02 41.97 2a3j s PHE 97 CO 0.26 -0.01 0.00 0.94 -1.46 0.00 0.00 175.22 174.95 2a3j n GLN 98 N 1.53 -1.64 0.00 10.12 7.27 -1.26 -2.71 117.38 130.69 2a3j n GLN 98 Ca -0.21 0.95 0.00 0.00 0.07 0.00 0.00 57.00 57.81 2a3j n GLN 98 Cb 0.55 -5.43 0.00 0.00 2.41 0.00 0.00 30.24 27.77 2a3j n GLN 98 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2a3j n GLY 99 N -0.63 3.02 0.00 1.69 0.00 -1.26 -4.72 105.19 103.28 2a3j n GLY 99 Ca -0.19 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 5.03 -1.10 -5.01 115.26 111.20 2a3j n ASN 100 Ca 0.00 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.03 2a3j n ASN 100 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 2a3j n ASN 100 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2a3j s PRO 101 N 0.00 3.23 -0.11 3.52 0.04 -1.26 -3.55 135.00 136.86 2a3j s PRO 101 Ca 0.00 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.18 2a3j s PRO 101 Cb 0.00 -4.20 0.03 0.00 0.04 0.00 0.00 34.50 30.36 2a3j s PRO 101 CO 0.00 -1.99 -0.05 -1.17 0.04 0.00 0.00 177.00 173.83 2a3j s LEU 102 N 7.07 1.07 -0.07 -3.56 2.96 -1.26 -4.75 118.68 120.15 2a3j s LEU 102 Ca 0.73 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 54.39 2a3j s LEU 102 Cb -0.19 -0.74 -0.02 0.00 0.50 0.00 0.00 46.19 45.75 2a3j s LEU 102 CO 0.31 -0.15 -0.19 0.54 -1.32 0.00 0.00 176.35 175.53 2a3j s VAL 103 N 1.77 2.59 -0.05 1.68 0.11 -1.26 -4.69 120.40 120.56 2a3j s VAL 103 Ca 0.04 -0.87 -0.00 0.00 -2.93 0.00 0.00 61.98 58.22 2a3j s VAL 103 Cb -0.13 -2.00 0.03 0.00 -1.53 0.00 0.00 36.38 32.75 2a3j s VAL 103 CO -0.07 0.57 -0.01 0.27 -3.33 0.00 0.00 175.10 172.52 2a3j s ILE 104 N -0.27 0.35 0.23 7.04 -0.00 -1.26 -3.70 121.20 123.60 2a3j s ILE 104 Ca 0.00 0.04 -0.06 0.00 -0.00 0.00 0.00 60.65 60.64 2a3j s ILE 104 Cb -0.13 -0.45 -0.02 0.00 -0.00 0.00 0.00 42.46 41.86 2a3j s ILE 104 CO 0.03 0.21 0.30 0.42 -0.00 0.00 0.00 174.94 175.90 2a3j s THR 105 N 1.35 0.00 0.87 8.37 -4.23 -1.15 -4.91 115.64 115.94 2a3j s THR 105 Ca -0.05 -1.74 -0.08 0.00 -1.18 0.00 0.00 61.69 58.64 2a3j s THR 105 Cb -0.13 -2.39 0.19 0.00 1.34 0.00 0.00 72.50 71.50 2a3j s THR 105 CO -0.02 0.00 1.19 -0.36 -0.54 0.00 0.00 174.62 174.89 2a3j s PHE 106 N -4.00 1.24 0.08 3.99 0.40 -1.26 -0.57 117.98 117.86 2a3j s PHE 106 Ca 0.32 -0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.55 2a3j s PHE 106 Cb 0.03 -3.61 -0.00 0.00 0.51 0.00 0.00 43.02 39.95 2a3j s PHE 106 CO 0.12 -2.36 0.10 0.45 0.70 0.00 0.00 175.22 174.23 2a3j n SER 107 N -3.38 -0.27 -4.79 1.36 2.88 -1.08 -4.18 113.62 104.17 2a3j n SER 107 Ca 0.17 -1.47 -0.36 0.00 -1.33 0.00 0.00 58.87 55.87 2a3j n SER 107 Cb 0.60 0.53 -0.08 0.00 -0.75 0.00 0.00 64.21 64.51 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 -2.24 3.23 -0.55 -1.46 2.02 -1.26 -4.74 118.70 113.69 2a3j s GLU 108 Ca 0.08 -0.26 0.07 0.00 0.02 0.00 0.00 54.97 54.87 2a3j s GLU 108 Cb 0.00 -3.01 0.24 0.00 0.10 0.00 0.00 34.13 31.47 2a3j s GLU 108 CO 0.06 0.74 0.65 0.25 0.02 0.00 0.00 175.26 176.98 2a3j n THR 109 N 2.03 1.22 -0.83 3.63 -2.24 -1.26 -5.02 114.28 111.80 2a3j n THR 109 Ca -0.19 -4.75 -0.18 0.00 -2.27 0.00 0.00 64.05 56.65 2a3j n THR 109 Cb 0.54 -2.04 0.15 0.00 -2.10 0.00 0.00 70.33 66.88 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 1.15 -2.33 -2.70 -0.78 -0.04 -1.26 -5.05 135.00 124.00 2a3j n PRO 110 Ca 0.26 -1.07 -0.07 0.00 -0.04 0.00 0.00 63.50 62.59 2a3j n PRO 110 Cb 0.45 -1.00 0.09 0.00 -0.04 0.00 0.00 33.50 32.99 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 -3.56 0.76 0.01 0.54 -0.06 -1.26 -4.98 117.38 108.83 2a3j n GLN 111 Ca 0.09 -1.47 -0.02 0.00 -2.00 0.00 0.00 57.00 53.60 2a3j n GLN 111 Cb 0.36 -0.47 -0.10 0.00 -4.06 0.00 0.00 30.24 25.97 2a3j n GLN 111 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2a3j n SER 112 N 0.05 0.77 -0.19 1.69 2.88 -1.26 -4.06 113.62 113.50 2a3j n SER 112 Ca -0.03 0.34 0.23 0.00 -1.33 0.00 0.00 58.87 58.08 2a3j n SER 112 Cb 0.74 0.25 0.61 0.00 -0.75 0.00 0.00 64.21 65.06 2a3j n SER 112 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2a3j h GLN 113 N 0.00 0.20 -7.22 -1.46 3.07 -2.02 -3.42 115.11 104.26 2a3j h GLN 113 Ca -0.21 -0.01 -0.51 0.00 0.09 0.00 0.00 58.65 58.01 2a3j h GLN 113 Cb 1.69 -0.05 0.11 0.00 0.08 0.00 0.00 27.48 29.30 2a3j h GLN 113 CO 0.05 0.13 0.36 0.14 0.09 0.00 0.00 178.83 179.61 2a3j s VAL 114 N -5.21 3.30 0.29 1.86 -7.23 -1.26 -4.94 120.40 107.22 2a3j s VAL 114 Ca -0.07 0.57 0.20 0.00 -1.81 0.00 0.00 61.98 60.87 2a3j s VAL 114 Cb 0.22 -3.09 0.17 0.00 0.56 0.00 0.00 36.38 34.24 2a3j s VAL 114 CO 0.77 -0.41 1.86 0.00 -0.31 0.00 0.00 175.10 177.01 2a3j h ALA 115 N -0.16 1.19 -0.56 1.32 0.00 -1.92 -3.09 119.26 116.03 2a3j h ALA 115 Ca -0.46 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.28 2a3j h ALA 115 Cb 1.24 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 2a3j h ALA 115 CO 0.54 0.37 0.10 1.49 0.00 0.00 0.00 179.25 181.74 2a3j h GLU 116 N 0.00 0.22 0.00 0.00 4.81 -1.91 -3.53 114.58 114.16 2a3j h GLU 116 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2a3j h GLU 116 Cb 0.66 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2a3j h GLU 116 CO 0.04 0.14 0.00 -3.47 -0.73 0.00 0.00 179.01 174.99