#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 3.58 -1.04 -2.82 0.04 -1.26 -4.92 135.00 128.58 2a3j s PRO 23 Ca 0.00 1.45 -0.24 0.00 0.04 0.00 0.00 61.00 62.26 2a3j s PRO 23 Cb 0.00 -4.10 -0.07 0.00 0.04 0.00 0.00 34.50 30.38 2a3j s PRO 23 CO 0.00 -1.56 1.94 -1.25 0.04 0.00 0.00 177.00 176.17 2a3j s PRO 24 N 5.11 2.53 -0.23 0.56 0.04 -1.26 -4.32 135.00 137.43 2a3j s PRO 24 Ca 0.73 -0.71 -0.02 0.00 0.04 0.00 0.00 61.00 61.04 2a3j s PRO 24 Cb -0.22 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.17 2a3j s PRO 24 CO 0.32 -3.66 0.05 0.72 0.04 0.00 0.00 177.00 174.47 2a3j n HIS 25 N 14.15 -2.84 -0.17 0.56 8.25 -1.26 -4.86 115.22 129.05 2a3j n HIS 25 Ca 0.42 1.25 -0.02 0.00 -0.26 0.00 0.00 57.72 59.12 2a3j n HIS 25 Cb 0.47 -3.13 0.08 0.00 1.12 0.00 0.00 29.99 28.52 2a3j n HIS 25 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2a3j h THR 26 N 3.13 0.73 -3.97 1.59 1.35 -2.01 -3.44 112.91 110.29 2a3j h THR 26 Ca -0.02 -0.09 -0.12 0.00 -0.55 0.00 0.00 66.41 65.63 2a3j h THR 26 Cb 0.38 0.43 -0.16 0.00 -1.73 0.00 0.00 68.15 67.07 2a3j h THR 26 CO 0.08 0.05 -0.55 -1.83 -0.25 0.00 0.00 175.52 173.02 2a3j s GLU 27 N -6.13 0.64 0.83 4.72 -1.05 -1.26 -5.16 118.70 111.28 2a3j s GLU 27 Ca -0.13 -0.95 -0.11 0.00 -0.15 0.00 0.00 54.97 53.62 2a3j s GLU 27 Cb 0.16 0.24 0.09 0.00 -0.44 0.00 0.00 34.13 34.18 2a3j s GLU 27 CO 0.73 -0.16 1.09 -1.25 0.95 0.00 0.00 175.26 176.63 2a3j s PRO 28 N -3.28 1.82 -0.28 -4.83 0.04 -1.26 -5.07 135.00 122.14 2a3j s PRO 28 Ca 0.01 1.01 0.02 0.00 0.04 0.00 0.00 61.00 62.08 2a3j s PRO 28 Cb 0.03 -1.86 0.17 0.00 0.04 0.00 0.00 34.50 32.88 2a3j s PRO 28 CO -0.08 -1.90 0.46 -1.12 0.04 0.00 0.00 177.00 174.40 2a3j s SER 29 N -3.41 -0.20 -0.15 6.66 0.01 -1.26 -4.60 113.70 110.75 2a3j s SER 29 Ca 0.62 -0.03 0.10 0.00 1.31 0.00 0.00 55.95 57.96 2a3j s SER 29 Cb -0.17 1.39 0.57 0.00 0.21 0.00 0.00 66.02 68.02 2a3j s SER 29 CO 0.56 -0.32 1.39 0.00 0.41 0.00 0.00 173.24 175.28 2a3j n GLN 30 N 5.38 3.61 -3.98 12.44 6.02 -1.26 -3.15 117.38 136.44 2a3j n GLN 30 Ca 0.00 -2.20 -0.11 0.00 -0.01 0.00 0.00 57.00 54.68 2a3j n GLN 30 Cb 0.51 -1.98 -0.12 0.00 1.02 0.00 0.00 30.24 29.66 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 -2.15 0.17 -0.02 5.09 -7.23 -1.26 -0.59 120.40 114.41 2a3j s VAL 31 Ca 0.38 -0.59 0.05 0.00 -1.81 0.00 0.00 61.98 60.01 2a3j s VAL 31 Cb 0.28 -0.25 -0.01 0.00 0.56 0.00 0.00 36.38 36.97 2a3j s VAL 31 CO 0.13 -0.27 -0.17 0.68 -0.31 0.00 0.00 175.10 175.16 2a3j s VAL 32 N -0.87 1.33 -0.23 1.32 -7.23 -0.94 -2.00 120.40 111.79 2a3j s VAL 32 Ca -0.08 -0.70 -0.08 0.00 -1.81 0.00 0.00 61.98 59.31 2a3j s VAL 32 Cb -0.06 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 2a3j s VAL 32 CO -0.00 0.38 0.07 -0.22 -0.31 0.00 0.00 175.10 175.02 2a3j s LEU 33 N -0.21 3.59 0.07 1.32 2.96 0.52 -0.85 118.68 126.08 2a3j s LEU 33 Ca 0.02 -0.10 0.05 0.00 -0.22 0.00 0.00 54.13 53.89 2a3j s LEU 33 Cb -0.08 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 2a3j s LEU 33 CO 0.00 0.03 -0.08 0.27 -1.32 0.00 0.00 176.35 175.26 2a3j s ILE 34 N 1.22 3.53 0.18 6.68 -0.00 0.12 -2.87 121.20 130.05 2a3j s ILE 34 Ca 0.05 -1.06 0.01 0.00 -0.00 0.00 0.00 60.65 59.65 2a3j s ILE 34 Cb -0.14 -2.61 -0.00 0.00 -0.00 0.00 0.00 42.46 39.70 2a3j s ILE 34 CO 0.04 0.21 0.21 0.35 -0.00 0.00 0.00 174.94 175.75 2a3j n THR 35 N 1.00 0.00 -1.89 8.37 -2.24 -1.23 -1.27 114.28 117.02 2a3j n THR 35 Ca -0.14 -1.05 -0.17 0.00 -2.27 0.00 0.00 64.05 60.43 2a3j n THR 35 Cb 0.52 0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 69.30 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 -2.06 -5.02 -4.83 3.42 4.13 -1.20 -3.82 115.26 105.88 2a3j n ASN 36 Ca 0.02 0.21 -0.38 0.00 1.68 0.00 0.00 54.58 56.11 2a3j n ASN 36 Cb 0.30 -4.06 -0.06 0.00 -1.54 0.00 0.00 39.78 34.42 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 -2.73 4.90 -0.26 2.41 -4.36 -1.17 -4.70 121.20 115.28 2a3j s ILE 37 Ca 0.00 0.97 -0.29 0.00 -0.26 0.00 0.00 60.65 61.07 2a3j s ILE 37 Cb 0.00 -3.79 -0.02 0.00 1.25 0.00 0.00 42.46 39.91 2a3j s ILE 37 CO 0.00 0.53 1.52 0.21 0.24 0.00 0.00 174.94 177.44 2a3j s ASN 38 N -1.18 6.43 0.00 4.36 2.47 -1.26 -4.61 114.94 121.15 2a3j s ASN 38 Ca 0.28 1.42 0.14 0.00 0.42 0.00 0.00 52.86 55.12 2a3j s ASN 38 Cb -0.18 -2.53 0.67 0.00 -1.45 0.00 0.00 41.25 37.76 2a3j s ASN 38 CO 0.16 -1.24 1.43 -0.81 -3.72 0.00 0.00 177.10 172.92 2a3j n PRO 39 N 7.63 0.09 -0.08 0.43 -0.04 -1.26 -3.25 135.00 138.52 2a3j n PRO 39 Ca 0.18 0.21 0.25 0.00 -0.04 0.00 0.00 63.50 64.10 2a3j n PRO 39 Cb 0.46 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.14 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 -5.56 0.54 5.08 -1.90 -3.39 114.58 109.35 2a3j h GLU 40 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 2a3j h GLU 40 Cb 0.20 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.36 2a3j h GLU 40 CO 0.00 0.00 -0.38 0.54 -1.00 0.00 0.00 179.01 178.17 2a3j s VAL 41 N -4.87 5.34 0.48 3.13 0.11 -1.20 -5.08 120.40 118.31 2a3j s VAL 41 Ca -0.05 0.42 -0.22 0.00 -2.93 0.00 0.00 61.98 59.21 2a3j s VAL 41 Cb 0.19 -3.55 -0.07 0.00 -1.53 0.00 0.00 36.38 31.43 2a3j s VAL 41 CO 0.70 0.49 1.15 -2.16 -3.33 0.00 0.00 175.10 171.96 2a3j s PRO 42 N -0.20 3.66 0.43 1.54 0.04 -1.26 -4.68 135.00 134.52 2a3j s PRO 42 Ca 0.15 1.73 0.22 0.00 0.04 0.00 0.00 61.00 63.15 2a3j s PRO 42 Cb -0.13 -2.30 1.20 0.00 0.04 0.00 0.00 34.50 33.31 2a3j s PRO 42 CO 0.04 -0.62 1.77 -0.22 0.04 0.00 0.00 177.00 178.01 2a3j h LYS 43 N 1.84 0.30 -0.24 4.56 3.11 -1.93 0.35 116.57 124.56 2a3j h LYS 43 Ca -0.49 -0.02 0.06 0.00 -2.81 0.00 0.00 60.65 57.38 2a3j h LYS 43 Cb 1.25 -0.07 -0.06 0.00 -1.00 0.00 0.00 32.23 32.35 2a3j h LYS 43 CO 0.59 0.20 -0.15 0.93 -2.81 0.00 0.00 179.45 178.21 2a3j h GLU 44 N 0.30 -0.13 0.07 1.90 5.08 -1.99 0.32 114.58 120.13 2a3j h GLU 44 Ca 0.60 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.84 2a3j h GLU 44 Cb 1.69 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.97 2a3j h GLU 44 CO -0.25 -0.08 -0.60 0.87 -1.00 0.00 0.00 179.01 177.95 2a3j h LYS 45 N -0.13 0.14 0.15 2.33 6.56 -1.37 -3.20 116.57 121.05 2a3j h LYS 45 Ca 0.13 -0.25 0.01 0.00 -1.06 0.00 0.00 60.65 59.49 2a3j h LYS 45 Cb 0.33 0.09 -0.05 0.00 -0.57 0.00 0.00 32.23 32.04 2a3j h LYS 45 CO -0.32 1.12 -0.49 1.25 -2.06 0.00 0.00 179.45 178.95 2a3j h LEU 46 N -0.68 -1.46 -0.64 2.94 6.46 -0.34 -2.04 115.31 119.55 2a3j h LEU 46 Ca -0.12 0.15 0.13 0.00 -0.12 0.00 0.00 57.88 57.92 2a3j h LEU 46 Cb 1.37 0.54 -0.10 0.00 -0.73 0.00 0.00 40.66 41.74 2a3j h LEU 46 CO 0.05 -0.55 0.11 -0.61 -0.62 0.00 0.00 178.44 176.82 2a3j h GLN 47 N -0.74 0.21 -1.00 1.25 4.15 -0.53 0.88 115.11 119.32 2a3j h GLN 47 Ca 0.00 -0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.60 2a3j h GLN 47 Cb 0.75 -0.05 -0.11 0.00 0.21 0.00 0.00 27.48 28.28 2a3j h GLN 47 CO -0.26 0.14 0.61 0.00 -1.93 0.00 0.00 178.83 177.40 2a3j h ALA 48 N 1.54 1.72 -0.05 3.38 0.00 -1.38 0.46 119.26 124.93 2a3j h ALA 48 Ca 0.35 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 2a3j h ALA 48 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2a3j h ALA 48 CO -0.47 -0.10 -0.18 -0.07 0.00 0.00 0.00 179.25 178.43 2a3j h LEU 49 N 0.72 0.24 -0.73 0.00 -0.00 -0.27 -1.20 115.31 114.07 2a3j h LEU 49 Ca 0.58 -0.63 0.09 0.00 -0.00 0.00 0.00 57.88 57.92 2a3j h LEU 49 Cb 0.96 -0.07 -0.07 0.00 -0.00 0.00 0.00 40.66 41.47 2a3j h LEU 49 CO -0.38 0.83 0.38 -0.07 -0.00 0.00 0.00 178.44 179.20 2a3j h LEU 50 N -0.33 0.50 -0.44 1.67 3.38 -0.17 -1.22 115.31 118.70 2a3j h LEU 50 Ca -0.01 0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 2a3j h LEU 50 Cb 0.81 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2a3j h LEU 50 CO 0.04 0.28 -0.71 0.22 0.09 0.00 0.00 178.44 178.36 2a3j h TYR 51 N 0.64 0.50 -0.01 1.13 5.03 -0.99 -2.46 116.97 120.80 2a3j h TYR 51 Ca 0.36 -0.22 0.01 0.00 2.58 0.00 0.00 58.73 61.46 2a3j h TYR 51 Cb 0.37 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 2a3j h TYR 51 CO -0.10 0.96 -0.04 0.00 -1.32 0.00 0.00 178.16 177.66 2a3j h ALA 52 N 0.98 -0.04 0.39 1.82 0.00 -0.12 0.28 119.26 122.57 2a3j h ALA 52 Ca -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2a3j h ALA 52 Cb 1.28 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2a3j h ALA 52 CO 0.12 -0.54 -0.19 -0.07 0.00 0.00 0.00 179.25 178.58 2a3j h LEU 53 N -0.07 -0.44 -0.84 0.00 3.38 -1.31 -3.17 115.31 112.85 2a3j h LEU 53 Ca 0.02 -0.13 0.14 0.00 0.09 0.00 0.00 57.88 58.00 2a3j h LEU 53 Cb 0.10 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.87 2a3j h LEU 53 CO -0.05 -0.07 0.44 0.00 0.09 0.00 0.00 178.44 178.84 2a3j h ALA 54 N -0.43 1.26 -0.64 1.53 0.00 -1.43 0.15 119.26 119.70 2a3j h ALA 54 Ca -0.05 0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.12 2a3j h ALA 54 Cb 0.54 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2a3j h ALA 54 CO 0.09 -0.07 0.52 1.03 0.00 0.00 0.00 179.25 180.82 2a3j h SER 55 N 0.64 0.00 0.71 0.00 0.87 -0.42 0.33 113.55 115.68 2a3j h SER 55 Ca 0.45 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.75 2a3j h SER 55 Cb 0.62 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 2a3j h SER 55 CO -0.35 0.00 -1.31 -1.28 -0.53 0.00 0.00 176.83 173.36 2a3j h SER 56 N 0.00 0.17 0.00 6.23 0.87 -0.70 -3.41 113.55 116.70 2a3j h SER 56 Ca 0.30 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2a3j h SER 56 Cb 1.35 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2a3j h SER 56 CO -0.00 1.18 0.00 0.00 -0.53 0.00 0.00 176.83 177.47 2a3j n GLN 57 N -3.35 0.00 -4.41 2.24 6.02 0.87 -5.04 117.38 113.71 2a3j n GLN 57 Ca -0.09 0.20 -0.20 0.00 -0.01 0.00 0.00 57.00 56.90 2a3j n GLN 57 Cb 1.00 -0.65 -0.10 0.00 1.02 0.00 0.00 30.24 31.50 2a3j n GLN 57 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2a3j s GLY 58 N -1.61 1.83 0.17 1.08 0.00 0.54 -5.01 107.32 104.32 2a3j s GLY 58 Ca 0.00 -1.91 -0.30 0.00 0.00 0.00 0.00 44.72 42.50 2a3j s GLY 58 CO 0.00 -1.79 1.29 0.99 0.00 0.00 0.00 173.10 173.59 2a3j s ASP 59 N -3.42 6.94 -0.16 1.64 1.01 -1.26 -3.87 116.67 117.54 2a3j s ASP 59 Ca 0.31 2.33 -0.08 0.00 0.71 0.00 0.00 52.55 55.82 2a3j s ASP 59 Cb 0.06 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 2a3j s ASP 59 CO 0.12 -0.51 0.12 -0.63 0.21 0.00 0.00 175.17 174.48 2a3j s ILE 60 N 0.31 5.33 -0.19 0.77 1.09 -1.26 -0.69 121.20 126.56 2a3j s ILE 60 Ca 0.57 0.15 0.18 0.00 -1.10 0.00 0.00 60.65 60.46 2a3j s ILE 60 Cb -0.35 -3.37 -0.25 0.00 -1.06 0.00 0.00 42.46 37.42 2a3j s ILE 60 CO 0.36 0.52 0.09 0.18 -0.10 0.00 0.00 174.94 175.99 2a3j n LEU 61 N 2.82 0.00 0.00 2.97 4.77 0.41 -4.91 117.00 123.07 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 0.47 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 2a3j n LEU 61 CO 0.34 0.47 0.00 -0.67 -1.33 0.00 0.00 177.39 176.20 2a3j n ASP 62 N -2.72 0.00 -4.34 -1.43 2.03 -1.21 -5.04 116.55 103.84 2a3j n ASP 62 Ca -0.31 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.61 2a3j n ASP 62 Cb 1.13 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 41.41 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 4.20 0.14 5.18 1.01 -1.26 -1.47 121.20 128.99 2a3j s ILE 63 Ca 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 2a3j s ILE 63 Cb 0.00 -3.33 -0.07 0.00 0.01 0.00 0.00 42.46 39.07 2a3j s ILE 63 CO 0.00 -0.16 0.54 -0.69 0.00 0.00 0.00 174.94 174.63 2a3j s VAL 64 N 1.49 4.86 -0.02 2.92 1.01 0.11 -4.94 120.40 125.83 2a3j s VAL 64 Ca 0.01 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.84 2a3j s VAL 64 Cb -0.19 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.47 2a3j s VAL 64 CO 0.05 0.28 0.01 -0.69 0.00 0.00 0.00 175.10 174.74 2a3j s VAL 65 N -1.43 0.08 0.00 2.92 1.01 -1.26 -0.06 120.40 121.66 2a3j s VAL 65 Ca 0.37 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2a3j s VAL 65 Cb -0.15 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.05 2a3j s VAL 65 CO 0.19 0.11 0.00 -0.67 0.00 0.00 0.00 175.10 174.73 2a3j n ASP 66 N 4.00 -0.31 -1.27 3.32 2.03 -1.17 -4.86 116.55 118.29 2a3j n ASP 66 Ca -0.25 -0.03 0.04 0.00 0.52 0.00 0.00 54.79 55.07 2a3j n ASP 66 Cb 0.51 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 41.15 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 3.66 -3.66 -2.67 -0.00 -1.26 -4.92 117.00 108.15 2a3j n LEU 67 Ca 0.00 -1.85 -0.29 0.00 -0.00 0.00 0.00 56.01 53.87 2a3j n LEU 67 Cb 0.00 -0.58 0.04 0.00 -0.00 0.00 0.00 43.42 42.88 2a3j n LEU 67 CO 0.00 0.49 -0.07 -0.24 -0.00 0.00 0.00 177.39 177.56 2a3j n SER 68 N 0.42 -4.79 -4.80 1.45 2.88 -1.26 -4.93 113.62 102.59 2a3j n SER 68 Ca 0.16 -0.97 -0.35 0.00 -1.33 0.00 0.00 58.87 56.38 2a3j n SER 68 Cb 0.77 -3.59 -0.04 0.00 -0.75 0.00 0.00 64.21 60.59 2a3j n SER 68 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2a3j s ASP 69 N -3.59 6.62 0.00 -3.46 1.11 -1.26 -4.81 116.67 111.28 2a3j s ASP 69 Ca 0.41 1.92 0.22 0.00 0.18 0.00 0.00 52.55 55.28 2a3j s ASP 69 Cb -0.13 -2.57 1.09 0.00 1.07 0.00 0.00 42.92 42.38 2a3j s ASP 69 CO 0.85 -0.59 1.72 0.47 1.18 0.00 0.00 175.17 178.80 2a3j n ASP 70 N -0.56 0.00 -0.00 0.27 8.00 -1.26 -1.62 116.55 121.38 2a3j n ASP 70 Ca 0.07 0.07 0.01 0.00 0.71 0.00 0.00 54.79 55.64 2a3j n ASP 70 Cb 0.52 -0.33 -0.01 0.00 -0.02 0.00 0.00 41.12 41.28 2a3j n ASP 70 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2a3j n ASN 71 N -1.33 0.97 0.00 -2.24 6.94 -1.26 -4.90 115.26 113.45 2a3j n ASN 71 Ca 0.10 -0.43 0.00 0.00 -0.02 0.00 0.00 54.58 54.23 2a3j n ASN 71 Cb 0.19 1.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.63 2a3j n ASN 71 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2a3j n SER 72 N -1.13 0.00 -3.01 0.53 7.64 -1.12 -5.09 113.62 111.44 2a3j n SER 72 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2a3j n SER 72 Cb 0.02 -0.13 0.01 0.00 -1.01 0.00 0.00 64.21 63.10 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 2.96 -1.77 3.64 0.23 0.00 -0.64 -4.54 105.19 105.07 2a3j n GLY 73 Ca 0.00 0.48 -0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.62 2.06 0.16 1.61 -2.85 -1.26 -3.05 119.74 114.80 2a3j s LYS 74 Ca 0.08 -1.60 -0.21 0.00 -1.00 0.00 0.00 55.97 53.24 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 0.50 -0.91 1.02 0.00 0.10 0.00 0.00 175.35 176.06 2a3j n ALA 75 N -0.55 -2.69 -3.72 0.59 0.00 -0.40 -3.03 120.51 110.72 2a3j n ALA 75 Ca -0.03 -0.99 -0.13 0.00 0.00 0.00 0.00 53.44 52.29 2a3j n ALA 75 Cb 0.61 0.53 -0.14 0.00 0.00 0.00 0.00 19.45 20.45 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 -2.19 -0.30 -0.39 0.00 1.51 0.92 -0.70 117.35 116.19 2a3j s TYR 76 Ca 0.23 0.74 -0.06 0.00 -1.01 0.00 0.00 57.07 56.96 2a3j s TYR 76 Cb -0.03 -0.02 0.08 0.00 -0.11 0.00 0.00 41.96 41.88 2a3j s TYR 76 CO 0.05 -0.24 0.19 0.42 -1.11 0.00 0.00 175.55 174.86 2a3j s ILE 77 N 1.53 3.78 -0.15 2.71 1.01 -0.03 0.08 121.20 130.14 2a3j s ILE 77 Ca -0.06 -1.52 -0.27 0.00 0.00 0.00 0.00 60.65 58.80 2a3j s ILE 77 Cb -0.11 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 2a3j s ILE 77 CO -0.08 -0.46 0.89 -0.69 0.00 0.00 0.00 174.94 174.60 2a3j s VAL 78 N 1.33 4.85 0.56 2.92 1.01 -0.55 -2.21 120.40 128.32 2a3j s VAL 78 Ca 0.03 1.77 0.07 0.00 0.00 0.00 0.00 61.98 63.84 2a3j s VAL 78 Cb -0.22 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.03 2a3j s VAL 78 CO 0.00 0.03 0.55 0.49 0.00 0.00 0.00 175.10 176.16 2a3j n PHE 79 N 5.11 -1.18 -0.23 5.22 3.72 0.24 -0.44 117.46 129.90 2a3j n PHE 79 Ca 0.06 -2.25 -0.08 0.00 -0.05 0.00 0.00 57.45 55.14 2a3j n PHE 79 Cb 0.49 -0.48 0.05 0.00 -0.94 0.00 0.00 39.48 38.60 2a3j n PHE 79 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2a3j h ALA 80 N 0.48 0.92 -2.51 4.37 0.00 -1.16 -3.41 119.26 117.96 2a3j h ALA 80 Ca -0.32 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 54.47 2a3j h ALA 80 Cb 1.26 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 2a3j h ALA 80 CO 0.49 0.67 0.42 0.99 0.00 0.00 0.00 179.25 181.81 2a3j s THR 81 N -5.19 0.00 0.52 0.00 2.01 -1.26 -4.93 115.64 106.79 2a3j s THR 81 Ca -0.12 -0.75 0.28 0.00 0.31 0.00 0.00 61.69 61.42 2a3j s THR 81 Cb 0.14 -1.99 0.45 0.00 0.01 0.00 0.00 72.50 71.11 2a3j s THR 81 CO 0.85 0.00 1.91 -0.61 -0.69 0.00 0.00 174.62 176.08 2a3j h GLN 82 N 2.00 0.06 -0.10 4.92 -0.00 -1.88 -0.81 115.11 119.31 2a3j h GLN 82 Ca -0.23 -0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.45 2a3j h GLN 82 Cb 1.24 -0.01 -0.03 0.00 0.00 0.00 0.00 27.48 28.67 2a3j h GLN 82 CO 0.25 0.04 -0.11 0.93 0.00 0.00 0.00 178.83 179.94 2a3j h GLU 83 N 0.06 -0.13 -0.09 1.69 4.39 -1.95 0.14 114.58 118.68 2a3j h GLU 83 Ca 0.39 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.99 2a3j h GLU 83 Cb 1.48 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 2a3j h GLU 83 CO -0.03 -0.09 -0.39 0.77 -1.16 0.00 0.00 179.01 178.12 2a3j h SER 84 N -0.13 0.50 -0.41 1.42 0.02 -1.60 -2.92 113.55 110.43 2a3j h SER 84 Ca 0.07 -0.63 0.08 0.00 -0.84 0.00 0.00 61.79 60.47 2a3j h SER 84 Cb 0.24 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.56 2a3j h SER 84 CO -0.18 1.05 -0.00 0.00 -1.14 0.00 0.00 176.83 176.56 2a3j h ALA 85 N 0.46 0.38 -0.67 3.77 0.00 -1.12 -1.14 119.26 120.93 2a3j h ALA 85 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2a3j h ALA 85 Cb 1.03 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2a3j h ALA 85 CO 0.08 -0.39 0.44 0.37 0.00 0.00 0.00 179.25 179.75 2a3j h GLN 86 N 0.10 0.89 -0.66 0.00 4.15 -0.79 0.60 115.11 119.40 2a3j h GLN 86 Ca 0.20 -0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.61 2a3j h GLN 86 Cb 0.29 -0.20 -0.05 0.00 0.21 0.00 0.00 27.48 27.74 2a3j h GLN 86 CO -0.34 0.60 0.39 0.00 -1.93 0.00 0.00 178.83 177.54 2a3j h ALA 87 N 1.24 0.87 -0.13 3.38 0.00 -1.12 -0.30 119.26 123.20 2a3j h ALA 87 Ca 0.25 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2a3j h ALA 87 Cb -0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2a3j h ALA 87 CO -0.05 0.10 -0.16 0.35 0.00 0.00 0.00 179.25 179.49 2a3j h PHE 88 N 0.74 0.41 -0.75 0.00 3.04 -0.83 0.14 116.94 119.69 2a3j h PHE 88 Ca 0.28 -0.13 0.08 0.00 3.98 0.00 0.00 57.97 62.18 2a3j h PHE 88 Cb 0.10 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 38.48 2a3j h PHE 88 CO -0.06 0.76 0.49 0.28 -2.02 0.00 0.00 178.31 177.76 2a3j h VAL 89 N -0.06 0.97 0.00 1.41 2.07 -0.61 -0.69 116.25 119.34 2a3j h VAL 89 Ca 0.02 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 2a3j h VAL 89 Cb 0.71 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2a3j h VAL 89 CO 0.04 0.13 -0.87 1.05 0.02 0.00 0.00 177.57 177.94 2a3j h GLU 90 N 0.72 0.00 0.00 1.57 4.11 -1.00 -0.83 114.58 119.14 2a3j h GLU 90 Ca 0.34 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.69 2a3j h GLU 90 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2a3j h GLU 90 CO -0.12 0.12 -0.37 0.00 0.07 0.00 0.00 179.01 178.71 2a3j h ALA 91 N 1.81 0.96 0.00 1.06 0.00 0.74 -3.22 119.26 120.61 2a3j h ALA 91 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2a3j h ALA 91 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2a3j h ALA 91 CO 0.02 0.47 0.00 1.19 0.00 0.00 0.00 179.25 180.92 2a3j n PHE 92 N -3.49 0.00 -0.36 0.00 3.01 -0.63 -4.75 117.46 111.25 2a3j n PHE 92 Ca 0.00 -0.27 0.31 0.00 1.01 0.00 0.00 57.45 58.50 2a3j n PHE 92 Cb 0.52 -0.03 0.64 0.00 -0.01 0.00 0.00 39.48 40.61 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 0.17 -2.03 -1.08 4.15 -1.16 -2.85 115.11 112.32 2a3j h GLN 93 Ca 0.00 -0.01 -0.54 0.00 0.77 0.00 0.00 58.65 58.87 2a3j h GLN 93 Cb 0.40 -0.04 -0.40 0.00 0.21 0.00 0.00 27.48 27.66 2a3j h GLN 93 CO 0.00 0.11 -1.07 0.41 -1.93 0.00 0.00 178.83 176.35 2a3j n GLY 94 N -1.62 3.41 2.88 2.39 0.00 -1.26 -4.83 105.19 106.16 2a3j n GLY 94 Ca 0.28 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.82 -0.04 -0.51 1.61 6.14 -1.08 -5.11 117.35 116.55 2a3j s TYR 95 Ca 0.38 0.15 -0.27 0.00 0.64 0.00 0.00 57.07 57.97 2a3j s TYR 95 Cb 0.23 -0.06 -0.02 0.00 0.42 0.00 0.00 41.96 42.54 2a3j s TYR 95 CO -0.09 -0.05 1.80 -1.25 0.64 0.00 0.00 175.55 176.59 2a3j s PRO 96 N 0.40 2.92 0.05 4.97 0.04 -1.26 -4.40 135.00 137.73 2a3j s PRO 96 Ca -0.03 0.88 0.05 0.00 0.04 0.00 0.00 61.00 61.94 2a3j s PRO 96 Cb -0.05 -4.30 -0.02 0.00 0.04 0.00 0.00 34.50 30.17 2a3j s PRO 96 CO -0.01 -2.37 -0.15 0.12 0.04 0.00 0.00 177.00 174.63 2a3j s PHE 97 N 8.10 1.27 -1.85 0.56 5.36 -1.24 -4.72 117.98 125.45 2a3j s PHE 97 Ca 0.70 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 56.29 2a3j s PHE 97 Cb -0.16 -0.74 0.00 0.00 -0.34 0.00 0.00 43.02 41.78 2a3j s PHE 97 CO 0.26 0.05 0.00 1.04 -1.46 0.00 0.00 175.22 175.11 2a3j n GLN 98 N 1.70 -1.59 0.00 10.12 1.13 -1.26 -2.92 117.38 124.56 2a3j n GLN 98 Ca -0.19 1.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.91 2a3j n GLN 98 Cb 0.54 -5.53 0.00 0.00 0.11 0.00 0.00 30.24 25.36 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 -0.64 2.88 0.00 1.08 0.00 -1.26 -4.19 105.19 103.05 2a3j n GLY 99 Ca -0.21 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -4.55 1.61 3.02 -1.15 -5.00 115.26 109.19 2a3j n ASN 100 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 2a3j n ASN 100 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 2a3j n ASN 100 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2a3j s PRO 101 N 0.00 2.60 -0.12 3.52 0.04 -1.26 -3.67 135.00 136.10 2a3j s PRO 101 Ca 0.00 0.33 0.03 0.00 0.04 0.00 0.00 61.00 61.40 2a3j s PRO 101 Cb 0.00 -4.60 -0.00 0.00 0.04 0.00 0.00 34.50 29.94 2a3j s PRO 101 CO 0.00 -2.94 -0.21 -1.17 0.04 0.00 0.00 177.00 172.72 2a3j s LEU 102 N 9.42 2.23 -0.05 -3.56 2.96 -1.26 -4.60 118.68 123.82 2a3j s LEU 102 Ca 0.68 -0.52 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 2a3j s LEU 102 Cb -0.11 -1.46 -0.00 0.00 0.50 0.00 0.00 46.19 45.11 2a3j s LEU 102 CO 0.14 0.14 -0.19 0.54 -1.32 0.00 0.00 176.35 175.66 2a3j s VAL 103 N 0.48 1.57 -0.05 1.68 0.11 -1.25 -4.78 120.40 118.15 2a3j s VAL 103 Ca -0.14 -0.79 -0.00 0.00 -2.93 0.00 0.00 61.98 58.12 2a3j s VAL 103 Cb -0.17 -1.34 0.03 0.00 -1.53 0.00 0.00 36.38 33.36 2a3j s VAL 103 CO 0.05 0.45 -0.01 0.27 -3.33 0.00 0.00 175.10 172.53 2a3j s ILE 104 N 0.01 0.38 0.20 7.04 -0.00 -1.26 -3.53 121.20 124.03 2a3j s ILE 104 Ca -0.04 0.05 -0.06 0.00 -0.00 0.00 0.00 60.65 60.59 2a3j s ILE 104 Cb -0.12 -0.48 -0.02 0.00 -0.00 0.00 0.00 42.46 41.83 2a3j s ILE 104 CO 0.03 0.23 0.26 0.42 -0.00 0.00 0.00 174.94 175.87 2a3j s THR 105 N 1.49 0.03 0.14 8.37 -4.23 -1.14 -4.91 115.64 115.39 2a3j s THR 105 Ca -0.02 -1.66 -0.02 0.00 -1.18 0.00 0.00 61.69 58.80 2a3j s THR 105 Cb -0.13 -2.19 0.03 0.00 1.34 0.00 0.00 72.50 71.55 2a3j s THR 105 CO -0.03 -0.13 0.19 0.49 -0.54 0.00 0.00 174.62 174.59 2a3j n PHE 106 N -0.27 -4.00 -3.61 3.99 3.01 -1.26 -0.35 117.46 114.97 2a3j n PHE 106 Ca -0.02 -0.16 -0.06 0.00 1.01 0.00 0.00 57.45 58.21 2a3j n PHE 106 Cb 0.64 -0.14 -0.00 0.00 -0.01 0.00 0.00 39.48 39.96 2a3j n PHE 106 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2a3j n SER 107 N -3.12 -0.90 -4.91 4.37 7.64 -0.85 -3.73 113.62 112.12 2a3j n SER 107 Ca 0.02 -1.88 -0.33 0.00 1.01 0.00 0.00 58.87 57.70 2a3j n SER 107 Cb 0.08 1.58 -0.05 0.00 -1.01 0.00 0.00 64.21 64.81 2a3j n SER 107 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2a3j s GLU 108 N -2.23 3.47 -0.45 1.43 -1.05 -1.26 -4.73 118.70 113.87 2a3j s GLU 108 Ca 0.11 -0.31 0.07 0.00 -0.15 0.00 0.00 54.97 54.69 2a3j s GLU 108 Cb -0.01 -3.06 0.24 0.00 -0.44 0.00 0.00 34.13 30.86 2a3j s GLU 108 CO 0.08 0.64 0.55 0.25 0.95 0.00 0.00 175.26 177.73 2a3j n THR 109 N 0.69 -0.02 -1.12 1.83 -2.24 -1.26 -4.95 114.28 107.21 2a3j n THR 109 Ca -0.08 -4.25 -0.29 0.00 -2.27 0.00 0.00 64.05 57.16 2a3j n THR 109 Cb 0.52 -1.97 0.21 0.00 -2.10 0.00 0.00 70.33 66.99 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 -1.37 -0.54 0.00 -0.78 0.04 -1.26 -4.96 135.00 126.13 2a3j s PRO 110 Ca 0.36 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2a3j s PRO 110 Cb 0.15 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 33.04 2a3j s PRO 110 CO -0.10 -3.31 0.00 0.94 0.04 0.00 0.00 177.00 174.58 2a3j n GLN 111 N -4.52 0.00 0.17 4.56 7.27 -1.26 -4.95 117.38 118.65 2a3j n GLN 111 Ca 0.09 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.20 2a3j n GLN 111 Cb 0.59 0.00 0.25 0.00 2.41 0.00 0.00 30.24 33.49 2a3j n GLN 111 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2a3j h SER 112 N 0.00 0.00 -0.76 1.69 0.87 -2.05 -3.09 113.55 110.21 2a3j h SER 112 Ca 0.00 0.00 0.22 0.00 -1.23 0.00 0.00 61.79 60.78 2a3j h SER 112 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2a3j h SER 112 CO 0.00 0.45 0.55 0.06 -0.53 0.00 0.00 176.83 177.37 2a3j h GLN 113 N 0.00 0.00 -0.83 2.24 -0.00 -2.00 0.84 115.11 115.36 2a3j h GLN 113 Ca -0.00 0.00 0.23 0.00 -0.00 0.00 0.00 58.65 58.88 2a3j h GLN 113 Cb 1.03 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.47 2a3j h GLN 113 CO 0.06 0.00 0.59 -0.39 -0.00 0.00 0.00 178.83 179.09 2a3j h VAL 114 N 0.00 0.60 -0.61 1.86 -1.51 -1.95 0.15 116.25 114.79 2a3j h VAL 114 Ca 0.36 -0.01 0.18 0.00 -1.23 0.00 0.00 66.70 65.99 2a3j h VAL 114 Cb 1.46 0.55 -0.02 0.00 -2.13 0.00 0.00 31.29 31.15 2a3j h VAL 114 CO -0.00 0.01 0.48 0.00 -1.23 0.00 0.00 177.57 176.82 2a3j h ALA 115 N 1.59 2.50 -0.56 5.19 0.00 -1.07 0.89 119.26 127.80 2a3j h ALA 115 Ca 0.40 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.42 2a3j h ALA 115 Cb 1.52 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 2a3j h ALA 115 CO -0.02 -0.79 0.39 1.05 0.00 0.00 0.00 179.25 179.88 2a3j h GLU 116 N 0.00 0.18 -0.01 0.00 4.11 -0.89 -3.54 114.58 114.42 2a3j h GLU 116 Ca 0.29 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.71 2a3j h GLU 116 Cb 1.24 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2a3j h GLU 116 CO -0.00 0.12 0.00 -0.25 0.07 0.00 0.00 179.01 178.94