#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1j h TRP 3 N 0.00 0.00 0.00 1.61 4.06 -2.01 -1.32 115.95 118.28 1d1j h TRP 3 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1d1j h TRP 3 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1d1j h TRP 3 CO 0.00 0.04 0.00 0.94 -3.56 0.00 0.00 178.44 175.86 1d1j n GLN 4 N -3.47 0.00 0.08 0.49 -0.06 -1.26 -1.57 117.38 111.59 1d1j n GLN 4 Ca -0.02 0.26 -0.16 0.00 -2.00 0.00 0.00 57.00 55.09 1d1j n GLN 4 Cb 0.16 -1.50 -0.14 0.00 -4.06 0.00 0.00 30.24 24.70 1d1j n GLN 4 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1d1j h SER 5 N 0.00 0.38 0.33 1.69 0.87 -1.66 -3.11 113.55 112.05 1d1j h SER 5 Ca 0.00 -0.45 -0.21 0.00 -1.23 0.00 0.00 61.79 59.90 1d1j h SER 5 Cb 0.23 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1d1j h SER 5 CO 0.00 1.36 -0.87 1.88 -0.53 0.00 0.00 176.83 178.67 1d1j h TYR 6 N 0.07 0.57 -0.04 2.24 0.05 -1.41 -2.65 116.97 115.79 1d1j h TYR 6 Ca -0.17 -0.29 -0.15 0.00 0.05 0.00 0.00 58.73 58.17 1d1j h TYR 6 Cb 1.98 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 39.63 1d1j h TYR 6 CO 0.06 1.09 -0.66 -0.39 -1.05 0.00 0.00 178.16 177.21 1d1j h VAL 7 N 0.24 1.42 0.00 -2.88 -1.51 -1.62 -1.93 116.25 109.96 1d1j h VAL 7 Ca -0.06 -2.13 0.00 0.00 -1.23 0.00 0.00 66.70 63.28 1d1j h VAL 7 Cb 1.48 2.12 0.00 0.00 -2.13 0.00 0.00 31.29 32.76 1d1j h VAL 7 CO 0.15 0.62 -0.15 0.47 -1.23 0.00 0.00 177.57 177.43 1d1j n ASP 8 N -3.82 0.25 0.09 4.19 8.00 -1.17 -3.03 116.55 121.06 1d1j n ASP 8 Ca -0.02 0.31 -0.23 0.00 0.71 0.00 0.00 54.79 55.56 1d1j n ASP 8 Cb 0.65 -0.32 -0.15 0.00 -0.02 0.00 0.00 41.12 41.28 1d1j n ASP 8 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1d1j h ASN 9 N 0.00 0.65 0.63 -2.24 -0.00 -1.07 -3.29 115.58 110.27 1d1j h ASN 9 Ca 0.00 -0.93 -0.01 0.00 -0.00 0.00 0.00 56.30 55.36 1d1j h ASN 9 Cb 0.54 -0.21 -0.00 0.00 -0.00 0.00 0.00 38.32 38.65 1d1j h ASN 9 CO 0.00 1.57 -0.03 -0.07 -0.00 0.00 0.00 177.43 178.91 1d1j h LEU 10 N -0.11 0.00 -0.64 0.34 3.38 -1.28 -2.52 115.31 114.49 1d1j h LEU 10 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1d1j h LEU 10 Cb 1.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1d1j h LEU 10 CO 0.21 0.03 -0.07 0.23 0.09 0.00 0.00 178.44 178.92 1d1j n MET 11 N -3.18 1.26 0.39 1.13 2.81 -1.19 -4.50 117.12 113.84 1d1j n MET 11 Ca -0.01 -0.64 -0.15 0.00 -1.81 0.00 0.00 57.70 55.09 1d1j n MET 11 Cb 0.23 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.18 1d1j n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1d1j n ASP 13 N -4.72 0.00 0.00 0.00 5.68 -1.26 -4.86 116.55 111.38 1d1j n ASP 13 Ca -0.12 0.31 0.00 0.00 -0.50 0.00 0.00 54.79 54.48 1d1j n ASP 13 Cb 0.40 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1d1j n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1d1j n GLY 14 N -1.12 0.72 0.11 6.12 0.00 -1.20 -4.88 105.19 104.95 1d1j n GLY 14 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1d1j n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d1j n GLN 17 N 0.54 2.11 -3.61 0.00 10.64 0.01 -4.77 117.38 122.31 1d1j n GLN 17 Ca -0.08 -0.04 -0.15 0.00 -1.83 0.00 0.00 57.00 54.90 1d1j n GLN 17 Cb 0.52 -1.15 -0.07 0.00 -0.86 0.00 0.00 30.24 28.68 1d1j n GLN 17 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1d1j s GLU 18 N -2.39 0.88 0.02 2.61 2.02 -1.15 -4.97 118.70 115.72 1d1j s GLU 18 Ca 0.02 0.59 -0.10 0.00 0.02 0.00 0.00 54.97 55.49 1d1j s GLU 18 Cb 0.09 0.42 0.01 0.00 0.10 0.00 0.00 34.13 34.74 1d1j s GLU 18 CO 0.51 -0.19 0.20 0.00 0.02 0.00 0.00 175.26 175.80 1d1j s ALA 19 N -0.36 -0.44 -0.01 5.21 0.00 -1.26 -0.57 121.76 124.32 1d1j s ALA 19 Ca -0.05 -0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.51 1d1j s ALA 19 Cb -0.03 0.19 0.08 0.00 0.00 0.00 0.00 23.12 23.36 1d1j s ALA 19 CO 0.05 -0.30 0.72 0.00 0.00 0.00 0.00 175.76 176.23 1d1j s ALA 20 N -1.96 -1.76 -0.21 0.00 0.00 0.49 -1.67 121.76 116.65 1d1j s ALA 20 Ca -0.10 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.02 1d1j s ALA 20 Cb -0.04 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.24 1d1j s ALA 20 CO -0.01 -0.47 -0.14 0.42 0.00 0.00 0.00 175.76 175.56 1d1j s ILE 21 N -1.88 2.32 -0.05 0.00 -1.09 -0.32 -0.70 121.20 119.49 1d1j s ILE 21 Ca -0.06 -1.09 0.04 0.00 -2.23 0.00 0.00 60.65 57.31 1d1j s ILE 21 Cb -0.00 -2.11 -0.00 0.00 -1.58 0.00 0.00 42.46 38.76 1d1j s ILE 21 CO 0.02 0.34 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.21 1d1j s VAL 22 N 1.26 1.45 0.34 2.92 1.01 0.31 -0.29 120.40 127.40 1d1j s VAL 22 Ca 0.01 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.10 1d1j s VAL 22 Cb -0.15 -1.25 -0.09 0.00 0.00 0.00 0.00 36.38 34.88 1d1j s VAL 22 CO -0.09 0.42 0.80 -0.83 0.00 0.00 0.00 175.10 175.40 1d1j s GLY 23 N 0.11 2.40 0.00 4.51 0.00 -0.71 0.57 107.32 114.20 1d1j s GLY 23 Ca -0.06 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.84 1d1j s GLY 23 CO 0.03 0.43 0.24 1.58 0.00 0.00 0.00 173.10 175.37 1d1j n TYR 24 N -0.27 0.00 0.00 1.90 4.11 -1.15 -3.25 117.16 118.49 1d1j n TYR 24 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.94 1d1j n TYR 24 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 1d1j n TYR 24 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1d1j h ASP 26 N 0.00 0.12 -1.11 0.00 3.32 -1.95 -3.33 116.42 113.48 1d1j h ASP 26 Ca 0.00 -0.61 -0.71 0.00 0.02 0.00 0.00 57.03 55.72 1d1j h ASP 26 Cb 0.00 -0.04 -0.12 0.00 0.22 0.00 0.00 39.33 39.39 1d1j h ASP 26 CO 0.00 0.71 2.26 0.00 -1.72 0.00 0.00 179.24 180.49 1d1j n ALA 27 N -2.43 6.80 -1.49 3.45 0.00 -1.26 -4.92 120.51 120.66 1d1j n ALA 27 Ca -0.08 -3.96 -0.40 0.00 0.00 0.00 0.00 53.44 49.00 1d1j n ALA 27 Cb 0.36 -2.73 -0.05 0.00 0.00 0.00 0.00 19.45 17.03 1d1j n ALA 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1d1j n LYS 28 N 1.70 1.76 -3.78 0.00 4.81 -1.25 -3.80 118.16 117.59 1d1j n LYS 28 Ca 0.62 -2.14 -0.05 0.00 -0.87 0.00 0.00 58.31 55.87 1d1j n LYS 28 Cb 0.28 -3.16 -0.02 0.00 0.02 0.00 0.00 35.03 32.15 1d1j n LYS 28 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1d1j s TYR 29 N 6.06 -0.16 0.03 5.64 -0.85 -1.20 -4.41 117.35 122.46 1d1j s TYR 29 Ca 0.58 -0.20 -0.30 0.00 -0.52 0.00 0.00 57.07 56.63 1d1j s TYR 29 Cb 0.11 0.66 -0.07 0.00 0.38 0.00 0.00 41.96 43.04 1d1j s TYR 29 CO 0.10 -0.97 1.61 0.08 -1.52 0.00 0.00 175.55 174.85 1d1j s VAL 30 N -3.51 3.29 -0.06 -3.49 1.01 -1.26 -1.73 120.40 114.64 1d1j s VAL 30 Ca 0.12 0.64 -0.08 0.00 0.00 0.00 0.00 61.98 62.65 1d1j s VAL 30 Cb -0.03 -3.41 -0.29 0.00 0.00 0.00 0.00 36.38 32.65 1d1j s VAL 30 CO 0.04 -0.02 0.60 -0.50 0.00 0.00 0.00 175.10 175.22 1d1j h TRP 31 N 8.55 0.61 -2.24 5.22 4.06 -1.01 -3.48 115.95 127.66 1d1j h TRP 31 Ca -0.41 -0.45 -0.07 0.00 2.06 0.00 0.00 58.89 60.02 1d1j h TRP 31 Cb 1.19 -0.02 -0.20 0.00 -1.00 0.00 0.00 29.16 29.13 1d1j h TRP 31 CO 0.80 1.66 0.06 0.00 -3.56 0.00 0.00 178.44 177.40 1d1j s ALA 32 N -2.58 -1.54 0.00 1.49 0.00 -0.87 -4.79 121.76 113.49 1d1j s ALA 32 Ca -0.17 1.29 -0.22 0.00 0.00 0.00 0.00 51.96 52.85 1d1j s ALA 32 Cb 0.06 -0.30 0.05 0.00 0.00 0.00 0.00 23.12 22.93 1d1j s ALA 32 CO 0.83 -0.33 0.50 0.00 0.00 0.00 0.00 175.76 176.76 1d1j s ALA 33 N -0.75 -1.27 0.05 0.00 0.00 -1.26 -1.17 121.76 117.35 1d1j s ALA 33 Ca -0.08 0.70 -0.31 0.00 0.00 0.00 0.00 51.96 52.27 1d1j s ALA 33 Cb -0.02 0.18 -0.06 0.00 0.00 0.00 0.00 23.12 23.22 1d1j s ALA 33 CO 0.06 -0.39 1.25 0.95 0.00 0.00 0.00 175.76 177.63 1d1j s THR 34 N -1.79 3.90 0.40 0.00 -4.23 -0.67 -4.97 115.64 108.28 1d1j s THR 34 Ca -0.09 1.34 -0.26 0.00 -1.18 0.00 0.00 61.69 61.50 1d1j s THR 34 Cb -0.02 -3.86 -0.09 0.00 1.34 0.00 0.00 72.50 69.87 1d1j s THR 34 CO 0.03 0.08 1.32 0.00 -0.54 0.00 0.00 174.62 175.51 1d1j s ALA 35 N 1.34 3.31 0.00 3.99 0.00 -1.26 -3.46 121.76 125.67 1d1j s ALA 35 Ca 0.60 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.83 1d1j s ALA 35 Cb -0.30 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1d1j s ALA 35 CO 0.28 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1d1j n GLY 36 N 0.67 0.80 3.87 0.00 0.00 -1.26 -5.06 105.19 104.20 1d1j n GLY 36 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1d1j n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1d1j s GLY 37 N -1.52 2.27 0.41 -0.02 0.00 -1.22 -5.03 107.32 102.21 1d1j s GLY 37 Ca 0.00 -1.65 0.21 0.00 0.00 0.00 0.00 44.72 43.29 1d1j s GLY 37 CO 0.00 -1.85 1.78 -0.39 0.00 0.00 0.00 173.10 172.64 1d1j h VAL 38 N 0.95 0.71 -0.26 1.40 -1.51 -1.89 -3.24 116.25 112.40 1d1j h VAL 38 Ca -0.39 -1.31 0.04 0.00 -1.23 0.00 0.00 66.70 63.81 1d1j h VAL 38 Cb 1.28 1.85 -0.01 0.00 -2.13 0.00 0.00 31.29 32.27 1d1j h VAL 38 CO 0.59 0.29 0.18 -0.26 -1.23 0.00 0.00 177.57 177.14 1d1j h PHE 39 N 0.00 0.18 0.00 5.19 0.04 -1.89 -1.30 116.94 119.15 1d1j h PHE 39 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1d1j h PHE 39 Cb 0.82 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.91 1d1j h PHE 39 CO 0.00 0.10 -0.04 1.96 -0.60 0.00 0.00 178.31 179.73 1d1j h GLN 40 N 0.18 0.00 -0.64 1.51 4.20 -1.82 -2.63 115.11 115.91 1d1j h GLN 40 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1d1j h GLN 40 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1d1j h GLN 40 CO -0.02 0.04 0.00 0.43 -0.67 0.00 0.00 178.83 178.61 1d1j n SER 41 N -3.99 4.61 -4.69 1.46 7.64 -0.49 -4.93 113.62 113.23 1d1j n SER 41 Ca -0.03 -2.59 -0.42 0.00 1.01 0.00 0.00 58.87 56.84 1d1j n SER 41 Cb 0.13 -0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 62.70 1d1j n SER 41 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1d1j s ILE 42 N -2.16 3.28 0.27 0.44 1.01 -0.99 -4.17 121.20 118.88 1d1j s ILE 42 Ca 0.45 0.72 0.02 0.00 0.00 0.00 0.00 60.65 61.84 1d1j s ILE 42 Cb 0.32 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 1d1j s ILE 42 CO 0.17 -0.00 0.43 0.42 0.00 0.00 0.00 174.94 175.96 1d1j s THR 43 N 2.49 5.20 0.55 2.92 -4.23 -1.26 -4.45 115.64 116.86 1d1j s THR 43 Ca 0.70 -0.68 0.23 0.00 -1.18 0.00 0.00 61.69 60.76 1d1j s THR 43 Cb -0.37 -3.84 0.33 0.00 1.34 0.00 0.00 72.50 69.97 1d1j s THR 43 CO 0.30 -0.38 2.14 -0.65 -0.54 0.00 0.00 174.62 175.49 1d1j h PRO 44 N 1.19 0.00 -0.15 3.99 0.11 -1.95 0.26 132.00 135.44 1d1j h PRO 44 Ca -0.50 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 1d1j h PRO 44 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1d1j h PRO 44 CO 0.63 0.00 -0.43 0.82 -0.21 0.00 0.00 178.00 178.81 1d1j h ILE 45 N 0.00 1.31 0.04 4.15 1.08 -1.94 -0.80 117.51 121.36 1d1j h ILE 45 Ca 0.06 -1.59 -0.23 0.00 -0.39 0.00 0.00 64.86 62.71 1d1j h ILE 45 Cb 0.26 1.67 -0.00 0.00 -3.07 0.00 0.00 36.82 35.68 1d1j h ILE 45 CO -0.00 0.48 -1.03 -0.33 -0.69 0.00 0.00 178.15 176.59 1d1j h GLU 46 N 0.30 0.29 -0.19 2.37 5.08 -1.33 -2.90 114.58 118.20 1d1j h GLU 46 Ca 0.02 -0.37 -0.12 0.00 -1.00 0.00 0.00 59.36 57.89 1d1j h GLU 46 Cb 0.88 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1d1j h GLU 46 CO 0.07 1.10 -0.41 0.82 -1.00 0.00 0.00 179.01 179.60 1d1j h ILE 47 N 0.14 1.30 -0.70 3.13 2.04 -0.97 -2.87 117.51 119.58 1d1j h ILE 47 Ca -0.09 -1.56 -0.03 0.00 1.00 0.00 0.00 64.86 64.19 1d1j h ILE 47 Cb 1.70 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 39.34 1d1j h ILE 47 CO 0.17 0.48 0.33 0.44 0.00 0.00 0.00 178.15 179.57 1d1j h ASP 48 N 0.37 0.92 -0.41 1.72 3.32 -1.11 -2.03 116.42 119.20 1d1j h ASP 48 Ca 0.03 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1d1j h ASP 48 Cb 0.87 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1d1j h ASP 48 CO 0.07 0.80 0.11 -0.03 -1.72 0.00 0.00 179.24 178.47 1d1j h MET 49 N 0.97 0.65 0.28 3.56 4.05 -1.40 0.14 114.93 123.18 1d1j h MET 49 Ca 0.24 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1d1j h MET 49 Cb 0.13 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1d1j h MET 49 CO -0.03 0.66 -0.27 0.82 0.23 0.00 0.00 176.91 178.33 1d1j h ILE 50 N 0.52 0.43 -0.42 1.77 2.04 -1.29 -3.09 117.51 117.47 1d1j h ILE 50 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1d1j h ILE 50 Cb 0.30 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1d1j h ILE 50 CO -0.00 0.00 0.00 1.33 0.00 0.00 0.00 178.15 179.48 1d1j n VAL 51 N -5.39 0.56 -0.72 1.67 0.24 -0.78 -5.00 118.33 108.90 1d1j n VAL 51 Ca -0.09 -0.61 -0.30 0.00 -2.04 0.00 0.00 64.34 61.31 1d1j n VAL 51 Cb 0.30 0.40 0.19 0.00 -1.47 0.00 0.00 33.84 33.25 1d1j n VAL 51 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1d1j s GLY 52 N -1.15 1.64 0.33 7.63 0.00 0.48 -4.92 107.32 111.33 1d1j s GLY 52 Ca 0.33 0.32 0.15 0.00 0.00 0.00 0.00 44.72 45.52 1d1j s GLY 52 CO 0.24 0.82 1.67 0.50 0.00 0.00 0.00 173.10 176.33 1d1j h LYS 53 N -2.03 0.00 -6.29 2.90 6.56 -1.91 -3.39 116.57 112.41 1d1j h LYS 53 Ca -0.49 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 58.55 1d1j h LYS 53 Cb 1.29 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.86 1d1j h LYS 53 CO 0.46 0.48 1.11 0.34 -2.06 0.00 0.00 179.45 179.78 1d1j s ASP 54 N -6.60 6.21 0.00 0.86 -1.08 -1.26 -4.84 116.67 109.96 1d1j s ASP 54 Ca -0.00 -0.62 0.12 0.00 -0.52 0.00 0.00 52.55 51.53 1d1j s ASP 54 Cb 0.12 -2.56 0.38 0.00 -1.46 0.00 0.00 42.92 39.39 1d1j s ASP 54 CO 0.72 -1.78 1.30 0.54 0.52 0.00 0.00 175.17 176.47 1d1j n ARG 55 N 9.25 1.74 -0.01 4.34 5.12 -1.26 -4.00 116.66 131.83 1d1j n ARG 55 Ca 0.07 -1.15 -0.00 0.00 -1.93 0.00 0.00 57.85 54.84 1d1j n ARG 55 Cb 0.49 -1.28 -0.03 0.00 -1.16 0.00 0.00 32.46 30.49 1d1j n ARG 55 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1d1j n GLU 56 N 0.42 2.22 -0.10 5.56 1.02 -1.26 -4.80 120.64 123.71 1d1j n GLU 56 Ca 0.12 -0.01 -0.06 0.00 -0.02 0.00 0.00 57.16 57.18 1d1j n GLU 56 Cb 0.28 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1d1j n GLU 56 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1d1j h GLY 57 N 0.65 0.06 2.00 0.62 0.00 -1.98 -1.97 103.07 102.45 1d1j h GLY 57 Ca -0.06 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1d1j h GLY 57 CO 0.00 -0.19 0.00 1.97 0.00 0.00 0.00 176.54 178.33 1d1j n PHE 58 N -5.36 0.71 0.12 5.60 1.16 -1.26 -2.07 117.46 116.36 1d1j n PHE 58 Ca 0.01 0.30 -0.22 0.00 -1.87 0.00 0.00 57.45 55.67 1d1j n PHE 58 Cb 0.27 -0.98 -0.15 0.00 -1.61 0.00 0.00 39.48 37.01 1d1j n PHE 58 CO 0.00 0.00 0.00 0.74 -1.87 0.00 0.00 176.76 175.63 1d1j h PHE 59 N 0.00 0.82 0.04 2.97 0.04 -1.62 0.26 116.94 119.44 1d1j h PHE 59 Ca 0.00 -0.60 -0.16 0.00 2.80 0.00 0.00 57.97 60.02 1d1j h PHE 59 Cb 0.26 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.39 1d1j h PHE 59 CO 0.00 1.51 -0.63 1.15 -0.60 0.00 0.00 178.31 179.74 1d1j h THR 60 N 0.12 1.46 -0.00 -1.55 2.02 -1.38 -3.38 112.91 110.20 1d1j h THR 60 Ca -0.24 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 64.74 1d1j h THR 60 Cb 2.12 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 71.30 1d1j h THR 60 CO 0.24 0.63 -0.41 0.59 0.37 0.00 0.00 175.52 176.95 1d1j n ASN 61 N -4.22 1.01 0.00 4.18 4.13 -0.88 -5.12 115.26 114.37 1d1j n ASN 61 Ca -0.11 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.14 1d1j n ASN 61 Cb 0.70 0.72 0.00 0.00 -1.54 0.00 0.00 39.78 39.66 1d1j n ASN 61 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1d1j n GLY 62 N 1.14 -2.05 3.37 7.41 0.00 0.08 -5.01 105.19 110.13 1d1j n GLY 62 Ca 0.04 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 1d1j n GLY 62 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1d1j s LEU 63 N 0.00 0.75 0.05 0.99 0.05 -0.57 -4.29 118.68 115.66 1d1j s LEU 63 Ca 0.00 -0.73 0.07 0.00 0.05 0.00 0.00 54.13 53.52 1d1j s LEU 63 Cb 0.00 1.45 -0.03 0.00 -2.05 0.00 0.00 46.19 45.56 1d1j s LEU 63 CO 0.00 -0.92 -0.20 0.42 -0.55 0.00 0.00 176.35 175.10 1d1j s THR 64 N -3.93 1.63 -0.20 5.48 -4.23 -1.26 -0.26 115.64 112.88 1d1j s THR 64 Ca 0.13 -1.23 -0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1d1j s THR 64 Cb 0.02 -1.43 0.05 0.00 1.34 0.00 0.00 72.50 72.48 1d1j s THR 64 CO -0.02 0.16 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.42 1d1j s LEU 65 N -1.27 1.98 -1.58 4.79 1.43 -0.78 -4.71 118.68 118.55 1d1j s LEU 65 Ca 0.07 -0.93 -0.04 0.00 -1.03 0.00 0.00 54.13 52.20 1d1j s LEU 65 Cb -0.09 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.15 1d1j s LEU 65 CO 0.02 -0.23 0.53 0.61 0.23 0.00 0.00 176.35 177.52 1d1j n GLY 66 N 4.81 -0.52 3.08 -3.19 0.00 -1.25 -1.36 105.19 106.77 1d1j n GLY 66 Ca -0.12 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1d1j n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d1j n ALA 67 N -3.38 0.00 -2.43 4.61 0.00 -1.26 -4.87 120.51 113.18 1d1j n ALA 67 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 1d1j n ALA 67 Cb 0.63 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 1d1j n ALA 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1d1j s LYS 68 N -0.01 4.22 0.19 0.00 -0.14 -0.46 -4.98 119.74 118.56 1d1j s LYS 68 Ca 0.00 1.64 -0.31 0.00 -1.36 0.00 0.00 55.97 55.94 1d1j s LYS 68 Cb 0.00 -3.77 -0.10 0.00 -1.68 0.00 0.00 37.83 32.29 1d1j s LYS 68 CO 0.00 -0.72 1.49 0.15 -0.76 0.00 0.00 175.35 175.51 1d1j s LYS 69 N 3.52 4.25 0.09 1.68 3.01 -1.26 -1.86 119.74 129.16 1d1j s LYS 69 Ca 0.54 2.29 -0.03 0.00 -1.01 0.00 0.00 55.97 57.77 1d1j s LYS 69 Cb -0.21 -3.15 -0.03 0.00 -1.01 0.00 0.00 37.83 33.43 1d1j s LYS 69 CO 0.15 -0.50 0.05 0.00 0.51 0.00 0.00 175.35 175.55 1d1j s SER 71 N -2.95 2.84 -0.25 0.00 1.04 -0.40 -1.51 113.70 112.48 1d1j s SER 71 Ca 0.12 -0.50 -0.19 0.00 0.48 0.00 0.00 55.95 55.86 1d1j s SER 71 Cb 0.07 -0.28 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 1d1j s SER 71 CO -0.06 0.25 0.58 -0.69 0.98 0.00 0.00 173.24 174.30 1d1j s VAL 72 N -0.69 5.03 -0.14 5.02 1.01 -1.26 -1.58 120.40 127.79 1d1j s VAL 72 Ca 0.10 1.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.87 1d1j s VAL 72 Cb -0.09 -3.89 -0.22 0.00 0.00 0.00 0.00 36.38 32.18 1d1j s VAL 72 CO 0.01 0.07 0.60 0.40 0.00 0.00 0.00 175.10 176.18 1d1j h ILE 73 N 5.36 1.46 -3.03 2.22 1.08 -0.06 -3.47 117.51 121.06 1d1j h ILE 73 Ca -0.29 -2.15 -0.17 0.00 -0.39 0.00 0.00 64.86 61.86 1d1j h ILE 73 Cb 1.13 2.82 -0.27 0.00 -3.07 0.00 0.00 36.82 37.43 1d1j h ILE 73 CO 0.75 0.50 -0.42 -0.60 -0.69 0.00 0.00 178.15 177.68 1d1j s ARG 74 N -2.16 0.28 -0.33 2.37 3.52 -0.61 -4.97 118.95 117.06 1d1j s ARG 74 Ca -0.18 0.46 -0.07 0.00 -0.13 0.00 0.00 55.73 55.81 1d1j s ARG 74 Cb -0.02 0.04 0.03 0.00 -1.56 0.00 0.00 34.95 33.44 1d1j s ARG 74 CO 0.59 -0.09 0.11 0.34 -0.81 0.00 0.00 175.30 175.44 1d1j s ASP 75 N 0.63 5.32 -0.07 -2.12 2.15 -1.26 -0.36 116.67 120.97 1d1j s ASP 75 Ca -0.04 -0.96 0.11 0.00 0.43 0.00 0.00 52.55 52.10 1d1j s ASP 75 Cb -0.05 -1.90 0.20 0.00 -0.30 0.00 0.00 42.92 40.87 1d1j s ASP 75 CO -0.04 -0.29 1.10 -1.20 -0.17 0.00 0.00 175.17 174.57 1d1j n SER 76 N 4.86 1.19 -0.21 -0.34 7.64 0.72 -4.89 113.62 122.59 1d1j n SER 76 Ca -0.13 -2.62 -0.07 0.00 1.01 0.00 0.00 58.87 57.06 1d1j n SER 76 Cb 0.46 -0.33 0.03 0.00 -1.01 0.00 0.00 64.21 63.36 1d1j n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1d1j h LEU 77 N 0.22 0.77 -3.01 -3.43 5.85 -1.27 -2.49 115.31 111.95 1d1j h LEU 77 Ca -0.03 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1d1j h LEU 77 Cb 1.26 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1d1j h LEU 77 CO 0.01 0.67 0.00 -1.22 -0.34 0.00 0.00 178.44 177.57 1d1j n TYR 78 N -4.54 0.19 -2.53 1.25 4.01 -1.26 -4.29 117.16 110.00 1d1j n TYR 78 Ca 0.04 -0.69 -0.30 0.00 -0.16 0.00 0.00 57.90 56.79 1d1j n TYR 78 Cb 0.11 -0.11 -0.02 0.00 -0.31 0.00 0.00 39.34 39.02 1d1j n TYR 78 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1d1j s VAL 79 N -1.75 4.75 0.35 -0.72 -7.23 -1.23 -5.02 120.40 109.55 1d1j s VAL 79 Ca 0.18 0.69 -0.28 0.00 -1.81 0.00 0.00 61.98 60.76 1d1j s VAL 79 Cb 0.14 -3.79 -0.12 0.00 0.56 0.00 0.00 36.38 33.18 1d1j s VAL 79 CO 0.05 -0.75 1.41 0.47 -0.31 0.00 0.00 175.10 175.97 1d1j n ASP 80 N -1.84 3.34 0.00 4.85 8.00 -1.26 -2.68 116.55 126.96 1d1j n ASP 80 Ca 0.03 1.21 0.00 0.00 0.71 0.00 0.00 54.79 56.75 1d1j n ASP 80 Cb 0.54 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 1d1j n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1d1j n GLY 81 N 0.71 1.01 3.49 0.44 0.00 -1.26 -4.94 105.19 104.65 1d1j n GLY 81 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1d1j n GLY 81 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d1j s ASP 82 N -2.77 2.64 -0.11 1.61 -1.08 -1.09 -5.07 116.67 110.80 1d1j s ASP 82 Ca 0.00 -1.59 0.04 0.00 -0.52 0.00 0.00 52.55 50.48 1d1j s ASP 82 Cb 0.00 0.36 0.13 0.00 -1.46 0.00 0.00 42.92 41.95 1d1j s ASP 82 CO 0.00 -0.85 0.91 0.00 0.52 0.00 0.00 175.17 175.75 1d1j s THR 84 N 0.04 1.38 -0.05 0.00 -4.23 -1.00 0.08 115.64 111.87 1d1j s THR 84 Ca 0.03 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1d1j s THR 84 Cb 0.14 -2.74 0.02 0.00 1.34 0.00 0.00 72.50 71.26 1d1j s THR 84 CO -0.04 -0.07 0.11 -0.04 -0.54 0.00 0.00 174.62 174.04 1d1j s MET 85 N -3.83 0.10 -0.36 3.99 -1.94 -0.80 -0.20 119.30 116.26 1d1j s MET 85 Ca 0.35 0.22 -0.09 0.00 -1.71 0.00 0.00 55.69 54.46 1d1j s MET 85 Cb 0.08 -0.04 0.03 0.00 2.01 0.00 0.00 34.83 36.91 1d1j s MET 85 CO 0.15 -0.07 0.16 -0.51 -0.01 0.00 0.00 175.02 174.73 1d1j s ASP 86 N 0.49 5.53 0.32 3.03 1.01 0.52 -1.46 116.67 126.11 1d1j s ASP 86 Ca -0.04 -1.08 0.10 0.00 0.71 0.00 0.00 52.55 52.24 1d1j s ASP 86 Cb -0.05 -1.95 -0.05 0.00 1.01 0.00 0.00 42.92 41.88 1d1j s ASP 86 CO -0.02 -0.36 -0.03 -0.63 0.21 0.00 0.00 175.17 174.33 1d1j s ILE 87 N 1.48 2.74 -0.14 0.77 1.01 0.22 0.69 121.20 127.98 1d1j s ILE 87 Ca 0.00 -2.05 -0.06 0.00 0.00 0.00 0.00 60.65 58.54 1d1j s ILE 87 Cb -0.19 -2.71 0.06 0.00 0.01 0.00 0.00 42.46 39.62 1d1j s ILE 87 CO 0.05 -0.27 0.31 -0.60 0.00 0.00 0.00 174.94 174.43 1d1j s ARG 88 N -3.67 0.25 0.77 2.79 3.52 -0.61 -0.20 118.95 121.81 1d1j s ARG 88 Ca 0.33 0.70 -0.12 0.00 -0.13 0.00 0.00 55.73 56.50 1d1j s ARG 88 Cb -0.02 -0.03 0.06 0.00 -1.56 0.00 0.00 34.95 33.40 1d1j s ARG 88 CO 0.19 -0.20 1.14 0.95 -0.81 0.00 0.00 175.30 176.57 1d1j s THR 89 N 1.68 2.70 0.17 4.11 -4.23 -0.41 -1.27 115.64 118.39 1d1j s THR 89 Ca -0.06 0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.68 1d1j s THR 89 Cb -0.10 -2.67 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 1d1j s THR 89 CO -0.10 -0.25 0.41 -0.54 -0.54 0.00 0.00 174.62 173.60 1d1j s LYS 90 N -4.40 3.62 -0.23 3.99 1.02 0.57 -4.45 119.74 119.86 1d1j s LYS 90 Ca 0.67 -0.09 -0.18 0.00 0.02 0.00 0.00 55.97 56.40 1d1j s LYS 90 Cb -0.23 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 1d1j s LYS 90 CO 0.51 0.42 0.49 0.45 -0.92 0.00 0.00 175.35 176.30 1d1j s SER 91 N -2.60 6.48 -0.84 2.83 0.15 -1.26 -4.88 113.70 113.57 1d1j s SER 91 Ca 0.41 0.57 -0.01 0.00 0.70 0.00 0.00 55.95 57.63 1d1j s SER 91 Cb -0.12 -2.27 0.35 0.00 -1.71 0.00 0.00 66.02 62.27 1d1j s SER 91 CO 0.25 -0.20 1.89 0.00 1.20 0.00 0.00 173.24 176.38 1d1j n GLN 92 N 5.05 3.29 0.00 5.44 0.00 -1.26 -4.98 117.38 124.91 1d1j n GLN 92 Ca -0.05 -3.83 0.00 0.00 0.00 0.00 0.00 57.00 53.12 1d1j n GLN 92 Cb 0.50 -2.30 0.00 0.00 0.00 0.00 0.00 30.24 28.44 1d1j n GLN 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1d1j n GLY 93 N -0.45 0.11 2.46 2.61 0.00 -1.26 -4.84 105.19 103.83 1d1j n GLY 93 Ca 0.51 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 1d1j n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d1j n GLY 94 N 0.00 4.47 2.96 -0.02 0.00 -1.26 -4.88 105.19 106.46 1d1j n GLY 94 Ca 0.00 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 1d1j n GLY 94 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1d1j s GLU 95 N 1.75 0.36 0.45 1.61 8.01 -1.26 -5.15 118.70 124.47 1d1j s GLU 95 Ca 0.61 -0.29 -0.21 0.00 0.01 0.00 0.00 54.97 55.09 1d1j s GLU 95 Cb 0.17 -0.28 -0.10 0.00 -4.31 0.00 0.00 34.13 29.60 1d1j s GLU 95 CO -0.07 0.07 0.97 -1.25 0.01 0.00 0.00 175.26 175.00 1d1j s PRO 96 N -0.47 4.11 0.39 0.39 0.04 -1.26 -4.75 135.00 133.45 1d1j s PRO 96 Ca -0.02 1.18 -0.01 0.00 0.04 0.00 0.00 61.00 62.19 1d1j s PRO 96 Cb -0.04 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1d1j s PRO 96 CO -0.00 -0.14 0.62 0.95 0.04 0.00 0.00 177.00 178.47 1d1j s THR 97 N -2.14 4.97 0.01 1.26 -4.23 -1.26 -4.90 115.64 109.35 1d1j s THR 97 Ca 0.63 -0.28 0.03 0.00 -1.18 0.00 0.00 61.69 60.90 1d1j s THR 97 Cb -0.11 -3.84 -0.01 0.00 1.34 0.00 0.00 72.50 69.88 1d1j s THR 97 CO 0.15 -0.62 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.19 1d1j s TYR 98 N -2.45 0.95 0.44 3.99 2.02 -1.26 -4.69 117.35 116.33 1d1j s TYR 98 Ca 0.43 -0.26 -0.15 0.00 -0.37 0.00 0.00 57.07 56.72 1d1j s TYR 98 Cb -0.10 -0.59 -0.08 0.00 -0.40 0.00 0.00 41.96 40.79 1d1j s TYR 98 CO 0.39 -0.01 0.88 -0.80 -1.57 0.00 0.00 175.55 174.43 1d1j s ASN 99 N -0.65 6.66 0.01 2.29 0.01 -1.26 -1.29 114.94 120.72 1d1j s ASN 99 Ca 0.02 1.41 0.01 0.00 -0.71 0.00 0.00 52.86 53.59 1d1j s ASN 99 Cb -0.06 -2.44 -0.01 0.00 0.41 0.00 0.00 41.25 39.16 1d1j s ASN 99 CO 0.00 -0.44 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.43 1d1j s VAL 100 N -2.38 0.29 0.00 1.60 1.01 0.72 -0.73 120.40 120.91 1d1j s VAL 100 Ca 0.56 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1d1j s VAL 100 Cb -0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 1d1j s VAL 100 CO 0.26 -0.09 -0.12 0.00 0.00 0.00 0.00 175.10 175.15 1d1j s ALA 101 N -0.49 1.03 -0.11 5.51 0.00 0.20 -0.61 121.76 127.28 1d1j s ALA 101 Ca -0.03 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1d1j s ALA 101 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1d1j s ALA 101 CO -0.00 0.24 -0.12 0.08 0.00 0.00 0.00 175.76 175.95 1d1j s VAL 102 N -0.41 3.17 -0.18 0.00 1.01 -0.53 -1.25 120.40 122.21 1d1j s VAL 102 Ca 0.04 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1d1j s VAL 102 Cb -0.05 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 34.04 1d1j s VAL 102 CO -0.00 0.54 -0.17 -0.83 0.00 0.00 0.00 175.10 174.64 1d1j s GLY 103 N 0.07 1.33 -0.40 4.51 0.00 0.13 -1.90 107.32 111.06 1d1j s GLY 103 Ca -0.05 -1.19 -0.19 0.00 0.00 0.00 0.00 44.72 43.30 1d1j s GLY 103 CO 0.04 0.42 0.54 -1.60 0.00 0.00 0.00 173.10 172.50 1d1j s ARG 104 N 1.34 3.38 0.00 2.90 3.52 0.11 -0.17 118.95 130.03 1d1j s ARG 104 Ca 0.03 -0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 1d1j s ARG 104 Cb -0.14 -3.89 0.00 0.00 -1.56 0.00 0.00 34.95 29.36 1d1j s ARG 104 CO -0.11 -0.82 0.00 0.00 -0.81 0.00 0.00 175.30 173.56 1d1j n ALA 105 N 5.89 0.00 0.02 6.12 0.00 -0.33 -4.88 120.51 127.32 1d1j n ALA 105 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 1d1j n ALA 105 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 1d1j n ALA 105 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1d1j h GLY 106 N 0.00 -0.93 -0.23 0.00 0.00 -1.89 -3.37 103.07 96.66 1d1j h GLY 106 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1d1j h GLY 106 CO 0.00 -0.34 -0.04 -2.13 0.00 0.00 0.00 176.54 174.02 1d1j n ARG 107 N -2.59 1.22 -3.89 4.80 0.63 -1.26 -5.03 116.66 110.55 1d1j n ARG 107 Ca -0.01 -0.54 -0.23 0.00 -0.92 0.00 0.00 57.85 56.16 1d1j n ARG 107 Cb 0.04 -0.97 -0.05 0.00 0.45 0.00 0.00 32.46 31.93 1d1j n ARG 107 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1d1j s ALA 108 N -0.59 3.77 -0.13 5.13 0.00 -1.26 -2.94 121.76 125.74 1d1j s ALA 108 Ca 0.04 -1.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.01 1d1j s ALA 108 Cb 0.03 -0.71 0.04 0.00 0.00 0.00 0.00 23.12 22.49 1d1j s ALA 108 CO 0.07 -0.15 0.03 -1.17 0.00 0.00 0.00 175.76 174.53 1d1j s LEU 109 N -3.99 0.79 -0.23 0.00 2.96 0.19 -1.19 118.68 117.22 1d1j s LEU 109 Ca 0.43 -0.43 -0.22 0.00 -0.22 0.00 0.00 54.13 53.70 1d1j s LEU 109 Cb -0.00 -0.48 -0.02 0.00 0.50 0.00 0.00 46.19 46.19 1d1j s LEU 109 CO 0.25 -0.26 0.68 -0.69 -1.32 0.00 0.00 176.35 175.01 1d1j s VAL 110 N 1.95 4.96 -0.11 1.68 1.01 0.76 -0.53 120.40 130.12 1d1j s VAL 110 Ca 0.02 1.26 0.02 0.00 0.00 0.00 0.00 61.98 63.29 1d1j s VAL 110 Cb -0.15 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1d1j s VAL 110 CO -0.07 0.04 -0.18 -0.63 0.00 0.00 0.00 175.10 174.26 1d1j s ILE 111 N 2.34 1.69 -0.03 2.22 1.01 0.13 0.18 121.20 128.74 1d1j s ILE 111 Ca 0.29 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1d1j s ILE 111 Cb -0.16 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 1d1j s ILE 111 CO 0.09 0.48 -0.15 0.68 0.00 0.00 0.00 174.94 176.04 1d1j s VAL 112 N 0.82 1.25 -0.17 2.92 -7.23 -0.38 -0.37 120.40 117.23 1d1j s VAL 112 Ca -0.09 -0.65 -0.00 0.00 -1.81 0.00 0.00 61.98 59.43 1d1j s VAL 112 Cb -0.16 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.73 1d1j s VAL 112 CO 0.00 0.36 -0.15 -0.32 -0.31 0.00 0.00 175.10 174.68 1d1j s MET 113 N -0.14 3.17 0.58 4.82 1.75 0.27 -0.63 119.30 129.12 1d1j s MET 113 Ca 0.01 -0.76 -0.09 0.00 -1.25 0.00 0.00 55.69 53.61 1d1j s MET 113 Cb -0.08 -2.66 -0.03 0.00 2.84 0.00 0.00 34.83 34.90 1d1j s MET 113 CO 0.01 -0.07 0.94 0.20 -0.65 0.00 0.00 175.02 175.45 1d1j s GLY 114 N 1.03 1.60 1.08 2.11 0.00 0.09 -0.81 107.32 112.42 1d1j s GLY 114 Ca -0.01 -0.33 -0.18 0.00 0.00 0.00 0.00 44.72 44.19 1d1j s GLY 114 CO -0.04 -0.08 1.28 0.54 0.00 0.00 0.00 173.10 174.80 1d1j s LYS 115 N -5.03 -0.33 0.37 2.90 1.02 -0.57 -4.37 119.74 113.72 1d1j s LYS 115 Ca 0.53 -0.43 -0.28 0.00 0.02 0.00 0.00 55.97 55.81 1d1j s LYS 115 Cb -0.11 -1.73 -0.11 0.00 -0.52 0.00 0.00 37.83 35.36 1d1j s LYS 115 CO 0.50 -3.06 1.48 -1.83 -0.92 0.00 0.00 175.35 171.52 1d1j s GLU 116 N -5.82 4.12 0.00 1.68 -1.05 -1.26 -2.45 118.70 113.92 1d1j s GLU 116 Ca 0.75 2.55 0.00 0.00 -0.15 0.00 0.00 54.97 58.13 1d1j s GLU 116 Cb -0.04 -2.98 0.00 0.00 -0.44 0.00 0.00 34.13 30.67 1d1j s GLU 116 CO 0.54 -0.52 0.00 0.41 0.95 0.00 0.00 175.26 176.64 1d1j n GLY 117 N 0.60 3.02 3.65 -3.83 0.00 -1.26 -4.99 105.19 102.38 1d1j n GLY 117 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1d1j n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d1j s VAL 118 N -1.41 3.66 0.60 1.61 1.01 -1.03 -4.98 120.40 119.87 1d1j s VAL 118 Ca 0.00 0.79 -0.18 0.00 0.00 0.00 0.00 61.98 62.59 1d1j s VAL 118 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1d1j s VAL 118 CO 0.00 -0.11 1.20 -1.00 0.00 0.00 0.00 175.10 175.19 1d1j s HIS 119 N 4.24 2.39 0.38 5.22 3.76 -1.26 -4.57 115.29 125.45 1d1j s HIS 119 Ca 0.72 1.53 0.06 0.00 -0.15 0.00 0.00 55.06 57.21 1d1j s HIS 119 Cb -0.31 -3.45 0.74 0.00 1.11 0.00 0.00 32.58 30.68 1d1j s HIS 119 CO 0.28 -2.17 1.97 0.78 -0.85 0.00 0.00 174.74 174.75 1d1j h GLY 120 N 0.77 0.56 1.71 -2.22 0.00 -1.97 -2.76 103.07 99.15 1d1j h GLY 120 Ca -0.50 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 46.52 1d1j h GLY 120 CO 0.55 0.25 -0.09 -1.33 0.00 0.00 0.00 176.54 175.92 1d1j h GLY 121 N 0.69 0.39 0.80 4.60 0.00 -1.98 0.15 103.07 107.71 1d1j h GLY 121 Ca 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1d1j h GLY 121 CO -0.01 0.22 0.01 -0.84 0.00 0.00 0.00 176.54 175.92 1d1j h THR 122 N 0.34 1.18 -0.25 4.70 2.02 -1.88 -2.24 112.91 116.79 1d1j h THR 122 Ca 0.07 -0.56 -0.13 0.00 0.77 0.00 0.00 66.41 66.56 1d1j h THR 122 Cb 0.37 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1d1j h THR 122 CO 0.02 0.15 -0.39 -0.07 0.37 0.00 0.00 175.52 175.60 1d1j h LEU 123 N -0.12 0.60 -0.71 2.58 3.38 -1.48 -2.08 115.31 117.47 1d1j h LEU 123 Ca 0.02 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1d1j h LEU 123 Cb 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1d1j h LEU 123 CO 0.00 0.92 0.43 -1.13 0.09 0.00 0.00 178.44 178.76 1d1j h ASN 124 N 0.47 0.84 1.59 -0.43 -0.73 -0.64 -1.11 115.58 115.57 1d1j h ASN 124 Ca 0.04 -0.06 -0.08 0.00 1.87 0.00 0.00 56.30 58.08 1d1j h ASN 124 Cb 0.88 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 39.25 1d1j h ASN 124 CO 0.08 0.65 -0.36 0.11 -0.37 0.00 0.00 177.43 177.54 1d1j h LYS 125 N 0.96 0.00 -0.09 6.67 1.79 -1.33 -1.11 116.57 123.47 1d1j h LYS 125 Ca 0.26 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.70 1d1j h LYS 125 Cb -0.05 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1d1j h LYS 125 CO -0.05 0.36 -0.05 -0.22 -1.08 0.00 0.00 179.45 178.41 1d1j h LYS 126 N 0.00 0.19 -0.40 3.15 3.64 -0.95 0.58 116.57 122.79 1d1j h LYS 126 Ca -0.00 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 1d1j h LYS 126 Cb 1.25 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1d1j h LYS 126 CO 0.05 0.56 -0.28 0.00 -2.27 0.00 0.00 179.45 177.51 1d1j h ALA 127 N 0.63 0.57 -0.17 5.00 0.00 -1.24 -2.77 119.26 121.28 1d1j h ALA 127 Ca 0.02 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1d1j h ALA 127 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1d1j h ALA 127 CO 0.01 0.60 0.08 -0.92 0.00 0.00 0.00 179.25 179.02 1d1j h TYR 128 N 0.71 0.15 -0.44 0.00 3.20 -1.15 -0.98 116.97 118.46 1d1j h TYR 128 Ca 0.08 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.96 1d1j h TYR 128 Cb 0.86 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 1d1j h TYR 128 CO 0.06 0.09 0.28 0.93 -1.64 0.00 0.00 178.16 177.88 1d1j h GLU 129 N 0.18 0.56 -0.48 1.82 4.39 -0.85 0.74 114.58 120.94 1d1j h GLU 129 Ca 0.07 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.60 1d1j h GLU 129 Cb 0.01 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1d1j h GLU 129 CO -0.04 0.37 -0.20 1.25 -1.16 0.00 0.00 179.01 179.22 1d1j h LEU 130 N 0.58 1.01 -0.86 1.33 5.85 -1.36 -0.78 115.31 121.09 1d1j h LEU 130 Ca 0.16 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1d1j h LEU 130 Cb -0.05 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.66 1d1j h LEU 130 CO -0.05 1.18 0.44 0.00 -0.34 0.00 0.00 178.44 179.68 1d1j h ALA 131 N 0.87 1.10 -0.42 1.25 0.00 -0.99 -0.13 119.26 120.95 1d1j h ALA 131 Ca 0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1d1j h ALA 131 Cb 0.78 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1d1j h ALA 131 CO 0.06 0.64 0.12 1.25 0.00 0.00 0.00 179.25 181.32 1d1j h LEU 132 N 1.21 0.62 -0.10 0.00 5.85 -0.62 -0.49 115.31 121.78 1d1j h LEU 132 Ca 0.30 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1d1j h LEU 132 Cb 0.07 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 1d1j h LEU 132 CO -0.04 0.68 0.05 0.22 -0.34 0.00 0.00 178.44 179.00 1d1j h TYR 133 N 0.54 0.14 -0.78 1.25 3.20 -0.78 -0.40 116.97 120.14 1d1j h TYR 133 Ca 0.13 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1d1j h TYR 133 Cb 0.29 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1d1j h TYR 133 CO 0.01 0.20 0.52 -0.07 -1.64 0.00 0.00 178.16 177.18 1d1j h LEU 134 N 0.04 0.86 0.22 2.82 3.38 -0.87 -0.68 115.31 121.09 1d1j h LEU 134 Ca 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1d1j h LEU 134 Cb 0.11 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1d1j h LEU 134 CO -0.00 0.61 -0.11 0.03 0.09 0.00 0.00 178.44 179.06 1d1j h ARG 135 N 1.01 -0.28 0.00 1.13 3.08 -0.80 -3.23 114.38 115.29 1d1j h ARG 135 Ca 0.30 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.34 1d1j h ARG 135 Cb -0.04 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1d1j h ARG 135 CO -0.08 0.07 -0.15 0.00 -1.07 0.00 0.00 179.97 178.74 1d1j h ARG 136 N -0.71 0.00 -0.01 0.04 3.08 -0.95 -3.50 114.38 112.33 1d1j h ARG 136 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1d1j h ARG 136 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1d1j h ARG 136 CO 0.05 0.15 0.00 -1.13 -1.07 0.00 0.00 179.97 177.97