#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1j s GLY 2 N 0.00 1.63 0.44 0.00 0.00 -1.26 -4.97 107.32 103.17 1d1j s GLY 2 Ca 0.00 -0.78 0.19 0.00 0.00 0.00 0.00 44.72 44.13 1d1j s GLY 2 CO 0.00 -0.32 1.93 1.49 0.00 0.00 0.00 173.10 176.20 1d1j h TRP 3 N -0.89 0.00 -0.03 1.90 4.06 -2.01 -2.59 115.95 116.40 1d1j h TRP 3 Ca -0.45 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.45 1d1j h TRP 3 Cb 1.32 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.47 1d1j h TRP 3 CO 0.28 0.25 -0.21 0.37 -3.56 0.00 0.00 178.44 175.57 1d1j h GLN 4 N 0.00 0.04 0.00 0.49 5.75 -1.93 -1.12 115.11 118.34 1d1j h GLN 4 Ca -0.00 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.38 1d1j h GLN 4 Cb 0.51 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 1d1j h GLN 4 CO 0.03 0.25 -0.53 0.77 -2.65 0.00 0.00 178.83 176.71 1d1j h SER 5 N 0.04 0.00 -0.11 -0.69 0.02 -1.84 -0.50 113.55 110.47 1d1j h SER 5 Ca 0.01 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1d1j h SER 5 Cb 0.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1d1j h SER 5 CO 0.03 0.53 -0.30 1.88 -1.14 0.00 0.00 176.83 177.83 1d1j h TYR 6 N 0.00 0.67 -0.36 3.45 -1.99 -1.22 -0.01 116.97 117.50 1d1j h TYR 6 Ca -0.01 -0.16 -0.08 0.00 2.00 0.00 0.00 58.73 60.48 1d1j h TYR 6 Cb 0.95 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.51 1d1j h TYR 6 CO 0.00 0.81 -0.09 0.28 -0.00 0.00 0.00 178.16 179.16 1d1j h VAL 7 N 0.50 1.28 -0.44 -2.88 2.07 -1.01 -2.04 116.25 113.73 1d1j h VAL 7 Ca 0.06 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.48 1d1j h VAL 7 Cb 0.76 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1d1j h VAL 7 CO 0.06 0.38 0.14 0.44 0.02 0.00 0.00 177.57 178.61 1d1j h ASP 8 N 0.49 0.12 -0.70 0.57 3.32 -0.72 -0.81 116.42 118.69 1d1j h ASP 8 Ca 0.09 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.26 1d1j h ASP 8 Cb 0.60 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.14 1d1j h ASP 8 CO 0.04 0.10 0.40 -1.13 -1.72 0.00 0.00 179.24 176.93 1d1j h ASN 9 N 0.30 0.60 0.01 6.45 -1.24 -0.81 -0.03 115.58 120.86 1d1j h ASN 9 Ca 0.21 0.03 -0.09 0.00 0.71 0.00 0.00 56.30 57.15 1d1j h ASN 9 Cb 0.22 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 1d1j h ASN 9 CO -0.23 0.39 -0.27 -0.07 -1.29 0.00 0.00 177.43 175.96 1d1j h LEU 10 N 0.74 0.41 0.00 0.34 3.38 -0.54 -3.10 115.31 116.53 1d1j h LEU 10 Ca 0.31 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1d1j h LEU 10 Cb 0.19 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1d1j h LEU 10 CO -0.18 0.67 -0.44 0.24 0.09 0.00 0.00 178.44 178.82 1d1j h MET 11 N 0.36 0.00 -0.52 1.13 2.86 -0.52 -3.41 114.93 114.83 1d1j h MET 11 Ca 0.05 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.78 1d1j h MET 11 Cb 0.67 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.23 1d1j h MET 11 CO 0.05 0.00 -0.41 0.00 1.06 0.00 0.00 176.91 177.61 1d1j n ASP 13 N -5.41 0.00 0.00 0.00 5.68 -1.26 -4.89 116.55 110.67 1d1j n ASP 13 Ca 0.01 -0.42 0.00 0.00 -0.50 0.00 0.00 54.79 53.88 1d1j n ASP 13 Cb 0.35 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 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 -0.17 1.55 0.06 6.12 0.00 -0.90 -4.88 105.19 106.97 1d1j n GLY 14 Ca 0.10 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.26 1d1j n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d1j h GLN 17 N 6.44 0.00 -2.10 0.00 3.07 -1.11 -3.45 115.11 117.97 1d1j h GLN 17 Ca -0.32 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.39 1d1j h GLN 17 Cb 1.20 0.00 -0.18 0.00 0.08 0.00 0.00 27.48 28.57 1d1j h GLN 17 CO 0.58 0.00 0.24 -1.21 0.09 0.00 0.00 178.83 178.53 1d1j s GLU 18 N -3.17 1.03 0.07 0.06 2.02 -1.17 -5.03 118.70 112.52 1d1j s GLU 18 Ca 0.07 0.13 -0.15 0.00 0.02 0.00 0.00 54.97 55.05 1d1j s GLU 18 Cb 0.12 0.49 0.02 0.00 0.10 0.00 0.00 34.13 34.86 1d1j s GLU 18 CO 0.68 -0.35 0.33 0.00 0.02 0.00 0.00 175.26 175.95 1d1j s ALA 19 N -1.58 -0.75 -0.09 5.21 0.00 -1.26 -1.11 121.76 122.18 1d1j s ALA 19 Ca -0.08 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 1d1j s ALA 19 Cb -0.00 0.42 0.08 0.00 0.00 0.00 0.00 23.12 23.62 1d1j s ALA 19 CO 0.06 -0.48 0.73 0.00 0.00 0.00 0.00 175.76 176.06 1d1j s ALA 20 N -2.96 -1.79 -0.24 0.00 0.00 0.17 -1.26 121.76 115.68 1d1j s ALA 20 Ca -0.02 1.45 -0.03 0.00 0.00 0.00 0.00 51.96 53.35 1d1j s ALA 20 Cb 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1d1j s ALA 20 CO -0.06 -0.36 -0.04 0.42 0.00 0.00 0.00 175.76 175.72 1d1j s ILE 21 N -0.97 3.21 -0.11 0.00 -1.09 -0.25 -0.89 121.20 121.10 1d1j s ILE 21 Ca -0.08 -0.75 0.01 0.00 -2.23 0.00 0.00 60.65 57.60 1d1j s ILE 21 Cb -0.01 -2.55 0.02 0.00 -1.58 0.00 0.00 42.46 38.34 1d1j s ILE 21 CO 0.08 0.29 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.28 1d1j s VAL 22 N 1.41 1.25 0.39 2.92 1.01 -0.39 -0.92 120.40 126.07 1d1j s VAL 22 Ca 0.03 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.29 1d1j s VAL 22 Cb -0.15 -1.19 -0.09 0.00 0.00 0.00 0.00 36.38 34.95 1d1j s VAL 22 CO -0.03 0.40 1.20 -0.83 0.00 0.00 0.00 175.10 175.83 1d1j s GLY 23 N 1.27 2.89 0.00 4.51 0.00 -0.61 0.17 107.32 115.56 1d1j s GLY 23 Ca -0.02 1.03 0.00 0.00 0.00 0.00 0.00 44.72 45.73 1d1j s GLY 23 CO -0.04 1.57 0.54 1.58 0.00 0.00 0.00 173.10 176.75 1d1j n TYR 24 N 0.15 0.00 0.00 1.90 4.11 -0.95 -3.24 117.16 119.13 1d1j n TYR 24 Ca 0.04 -0.13 0.00 0.00 -0.00 0.00 0.00 57.90 57.81 1d1j n TYR 24 Cb 0.46 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.78 1d1j n TYR 24 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1d1j n ASP 26 N 0.00 0.75 -2.85 0.00 5.75 -1.26 -3.80 116.55 115.14 1d1j n ASP 26 Ca 0.00 -0.91 -0.23 0.00 -0.01 0.00 0.00 54.79 53.64 1d1j n ASP 26 Cb 0.00 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.06 1d1j n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1d1j n ALA 27 N -0.63 4.05 -2.08 2.12 0.00 -1.26 -5.03 120.51 117.68 1d1j n ALA 27 Ca 0.16 -4.14 -0.36 0.00 0.00 0.00 0.00 53.44 49.10 1d1j n ALA 27 Cb 0.28 -0.75 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.17 2.20 -3.80 0.00 4.81 -1.25 -3.82 118.16 116.13 1d1j n LYS 28 Ca 0.29 -2.65 -0.05 0.00 -0.87 0.00 0.00 58.31 55.03 1d1j n LYS 28 Cb 0.57 -3.51 -0.01 0.00 0.02 0.00 0.00 35.03 32.10 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 7.39 -0.08 -0.29 5.64 1.13 -1.20 -4.56 117.35 125.38 1d1j s TYR 29 Ca 0.60 -0.31 -0.29 0.00 -1.41 0.00 0.00 57.07 55.66 1d1j s TYR 29 Cb 0.04 0.68 -0.00 0.00 -1.10 0.00 0.00 41.96 41.58 1d1j s TYR 29 CO 0.10 -1.00 1.35 0.08 -2.51 0.00 0.00 175.55 173.57 1d1j s VAL 30 N -3.12 4.06 0.13 -3.49 1.01 -1.26 -1.57 120.40 116.17 1d1j s VAL 30 Ca 0.14 1.19 -0.06 0.00 0.00 0.00 0.00 61.98 63.26 1d1j s VAL 30 Cb -0.03 -4.09 -0.17 0.00 0.00 0.00 0.00 36.38 32.08 1d1j s VAL 30 CO 0.05 -0.46 1.31 -0.50 0.00 0.00 0.00 175.10 175.49 1d1j h TRP 31 N 9.58 0.68 -1.62 5.22 4.06 -1.39 -3.47 115.95 129.01 1d1j h TRP 31 Ca -0.27 -0.36 0.06 0.00 2.06 0.00 0.00 58.89 60.38 1d1j h TRP 31 Cb 1.11 -0.08 -0.24 0.00 -1.00 0.00 0.00 29.16 28.94 1d1j h TRP 31 CO 0.89 1.17 0.47 0.00 -3.56 0.00 0.00 178.44 177.41 1d1j s ALA 32 N -3.36 -1.93 0.14 1.49 0.00 -0.96 -4.85 121.76 112.29 1d1j s ALA 32 Ca -0.07 1.69 -0.16 0.00 0.00 0.00 0.00 51.96 53.43 1d1j s ALA 32 Cb 0.09 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.28 1d1j s ALA 32 CO 0.87 -0.29 0.42 0.00 0.00 0.00 0.00 175.76 176.76 1d1j s ALA 33 N -0.55 -0.86 0.16 0.00 0.00 -1.26 -1.09 121.76 118.17 1d1j s ALA 33 Ca -0.01 -0.16 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 1d1j s ALA 33 Cb -0.02 0.74 -0.11 0.00 0.00 0.00 0.00 23.12 23.72 1d1j s ALA 33 CO -0.01 -0.68 1.80 2.41 0.00 0.00 0.00 175.76 179.28 1d1j n THR 34 N -0.25 0.21 -1.70 0.00 -1.04 -0.39 -4.90 114.28 106.22 1d1j n THR 34 Ca -0.14 -0.04 -0.44 0.00 -2.04 0.00 0.00 64.05 61.40 1d1j n THR 34 Cb 0.63 -2.08 -0.03 0.00 -1.82 0.00 0.00 70.33 67.03 1d1j n THR 34 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1d1j n ALA 35 N 4.97 1.91 -0.95 2.41 0.00 -1.26 -2.68 120.51 124.90 1d1j n ALA 35 Ca 0.17 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1d1j n ALA 35 Cb 0.37 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.42 1d1j n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d1j n GLY 36 N 2.72 0.79 0.00 0.00 0.00 -1.26 -5.02 105.19 102.42 1d1j n GLY 36 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1d1j n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d1j n GLY 37 N -2.11 0.33 0.09 -0.02 0.00 -1.09 -5.02 105.19 97.37 1d1j n GLY 37 Ca 0.00 -1.84 -0.00 0.00 0.00 0.00 0.00 46.02 44.18 1d1j n GLY 37 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1d1j n VAL 38 N -0.70 1.14 0.27 1.61 0.24 -1.26 -4.10 118.33 115.52 1d1j n VAL 38 Ca 0.00 -0.69 0.10 0.00 -2.04 0.00 0.00 64.34 61.71 1d1j n VAL 38 Cb 0.00 -0.68 0.71 0.00 -1.47 0.00 0.00 33.84 32.40 1d1j n VAL 38 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1d1j h PHE 39 N 0.00 0.00 -0.07 6.34 0.04 -1.90 0.34 116.94 121.70 1d1j h PHE 39 Ca -0.18 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.61 1d1j h PHE 39 Cb 1.60 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.74 1d1j h PHE 39 CO 0.00 0.05 0.06 1.96 -0.60 0.00 0.00 178.31 179.78 1d1j h GLN 40 N 0.00 0.00 -0.29 1.51 4.20 -1.83 -2.11 115.11 116.59 1d1j h GLN 40 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1d1j h GLN 40 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1d1j h GLN 40 CO 0.01 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.60 1d1j n SER 41 N -4.15 2.26 -4.70 1.46 7.64 0.11 -4.95 113.62 111.28 1d1j n SER 41 Ca -0.01 -1.85 -0.42 0.00 1.01 0.00 0.00 58.87 57.59 1d1j n SER 41 Cb 0.16 -0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.62 2.60 0.31 0.44 1.01 -0.79 -4.17 121.20 118.97 1d1j s ILE 42 Ca 0.33 0.26 0.05 0.00 0.00 0.00 0.00 60.65 61.28 1d1j s ILE 42 Cb 0.18 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 1d1j s ILE 42 CO 0.26 0.01 0.45 0.42 0.00 0.00 0.00 174.94 176.08 1d1j s THR 43 N 2.05 4.69 0.46 2.92 -4.23 -1.26 -4.59 115.64 115.67 1d1j s THR 43 Ca 0.75 -0.88 0.12 0.00 -1.18 0.00 0.00 61.69 60.49 1d1j s THR 43 Cb -0.44 -3.66 0.25 0.00 1.34 0.00 0.00 72.50 69.99 1d1j s THR 43 CO 0.33 -0.29 2.08 -0.65 -0.54 0.00 0.00 174.62 175.55 1d1j h PRO 44 N 0.95 0.24 -0.41 3.99 0.11 -1.95 -0.94 132.00 133.99 1d1j h PRO 44 Ca -0.49 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 1d1j h PRO 44 Cb 1.24 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1d1j h PRO 44 CO 0.58 0.20 -0.21 0.82 -0.21 0.00 0.00 178.00 179.17 1d1j h ILE 45 N 0.25 1.28 -0.59 4.15 2.04 -1.95 -1.55 117.51 121.14 1d1j h ILE 45 Ca 0.06 -1.36 -0.06 0.00 1.00 0.00 0.00 64.86 64.51 1d1j h ILE 45 Cb 0.04 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1d1j h ILE 45 CO -0.01 0.46 0.11 -0.33 0.00 0.00 0.00 178.15 178.38 1d1j h GLU 46 N 0.68 0.93 -0.61 2.37 5.08 -1.54 -2.32 114.58 119.16 1d1j h GLU 46 Ca 0.09 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1d1j h GLU 46 Cb 0.77 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1d1j h GLU 46 CO 0.06 0.85 0.26 0.82 -1.00 0.00 0.00 179.01 180.01 1d1j h ILE 47 N 0.89 1.22 -0.85 3.13 2.04 -1.06 -2.10 117.51 120.77 1d1j h ILE 47 Ca 0.19 -0.67 0.06 0.00 1.00 0.00 0.00 64.86 65.44 1d1j h ILE 47 Cb 0.36 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 1d1j h ILE 47 CO 0.00 0.27 0.53 0.44 0.00 0.00 0.00 178.15 179.39 1d1j h ASP 48 N 0.84 0.83 -0.37 1.72 3.32 -0.85 -0.99 116.42 120.91 1d1j h ASP 48 Ca 0.20 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 1d1j h ASP 48 Cb 0.17 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1d1j h ASP 48 CO -0.02 0.53 0.04 -0.03 -1.72 0.00 0.00 179.24 178.04 1d1j h MET 49 N 0.96 0.72 -0.05 3.56 4.05 -0.98 0.54 114.93 123.74 1d1j h MET 49 Ca 0.37 -0.17 -0.01 0.00 -0.28 0.00 0.00 59.70 59.61 1d1j h MET 49 Cb 0.17 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1d1j h MET 49 CO -0.17 0.71 -0.03 0.82 0.23 0.00 0.00 176.91 178.47 1d1j h ILE 50 N 0.69 1.33 -0.38 1.77 2.04 -0.60 -3.29 117.51 119.07 1d1j h ILE 50 Ca 0.14 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1d1j h ILE 50 Cb 0.37 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1d1j h ILE 50 CO 0.01 0.28 0.00 1.33 0.00 0.00 0.00 178.15 179.77 1d1j n VAL 51 N -4.80 0.49 -0.85 1.67 0.24 -0.49 -5.02 118.33 109.57 1d1j n VAL 51 Ca -0.07 -0.65 -0.32 0.00 -2.04 0.00 0.00 64.34 61.25 1d1j n VAL 51 Cb 0.25 0.70 0.15 0.00 -1.47 0.00 0.00 33.84 33.46 1d1j n VAL 51 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1d1j n GLY 52 N 1.40 -0.31 0.24 7.63 0.00 0.19 -4.92 105.19 109.42 1d1j n GLY 52 Ca 0.19 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.68 1d1j n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d1j h LYS 53 N -1.48 0.00 -6.19 1.61 6.56 -1.94 -3.40 116.57 111.73 1d1j h LYS 53 Ca -0.44 0.00 -0.59 0.00 -1.06 0.00 0.00 60.65 58.56 1d1j h LYS 53 Cb 1.28 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.86 1d1j h LYS 53 CO 0.43 0.16 0.66 0.34 -2.06 0.00 0.00 179.45 178.99 1d1j s ASP 54 N -6.48 6.68 -0.08 0.86 2.15 -1.26 -4.90 116.67 113.64 1d1j s ASP 54 Ca -0.03 0.56 0.16 0.00 0.43 0.00 0.00 52.55 53.68 1d1j s ASP 54 Cb 0.14 -2.48 0.57 0.00 -0.30 0.00 0.00 42.92 40.85 1d1j s ASP 54 CO 0.63 -0.93 1.48 0.54 -0.17 0.00 0.00 175.17 176.73 1d1j n ARG 55 N 6.95 3.25 -0.01 4.34 5.12 -1.26 -4.48 116.66 130.56 1d1j n ARG 55 Ca 0.08 -2.63 -0.01 0.00 -1.93 0.00 0.00 57.85 53.36 1d1j n ARG 55 Cb 0.48 -1.67 -0.03 0.00 -1.16 0.00 0.00 32.46 30.08 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 0.76 3.06 -0.16 5.56 4.71 -1.26 -4.77 120.64 128.53 1d1j n GLU 56 Ca 0.21 -0.01 -0.05 0.00 -0.01 0.00 0.00 57.16 57.30 1d1j n GLU 56 Cb 0.73 -1.09 0.04 0.00 -1.01 0.00 0.00 31.44 30.11 1d1j n GLU 56 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1d1j h GLY 57 N 0.67 0.67 2.00 0.62 0.00 -1.99 -2.75 103.07 102.29 1d1j h GLY 57 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1d1j h GLY 57 CO 0.00 0.12 0.00 0.27 0.00 0.00 0.00 176.54 176.94 1d1j h PHE 58 N 0.49 0.00 0.00 5.60 -5.15 -1.86 -1.38 116.94 114.65 1d1j h PHE 58 Ca 0.21 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.84 1d1j h PHE 58 Cb 0.10 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.25 1d1j h PHE 58 CO -0.10 0.00 -0.63 0.74 -2.00 0.00 0.00 178.31 176.33 1d1j h PHE 59 N 0.00 0.00 0.08 6.09 0.04 -1.77 0.22 116.94 121.61 1d1j h PHE 59 Ca 0.00 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.44 1d1j h PHE 59 Cb 0.20 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1d1j h PHE 59 CO 0.00 0.63 -1.81 2.41 -0.60 0.00 0.00 178.31 178.94 1d1j n THR 60 N -3.41 1.70 0.61 -1.55 -1.04 -0.67 -4.52 114.28 105.40 1d1j n THR 60 Ca 0.00 -0.47 0.07 0.00 -2.04 0.00 0.00 64.05 61.62 1d1j n THR 60 Cb 0.72 -1.82 0.03 0.00 -1.82 0.00 0.00 70.33 67.44 1d1j n THR 60 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1d1j n ASN 61 N -3.77 1.83 -0.12 8.00 5.03 -0.61 -5.10 115.26 120.52 1d1j n ASN 61 Ca -0.33 -1.41 0.00 0.00 0.87 0.00 0.00 54.58 53.71 1d1j n ASN 61 Cb 0.94 0.24 0.00 0.00 -1.02 0.00 0.00 39.78 39.94 1d1j n ASN 61 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1d1j n GLY 62 N 0.94 -0.62 3.46 7.41 0.00 0.78 -4.99 105.19 112.18 1d1j n GLY 62 Ca 0.07 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.51 0.06 0.99 0.05 -1.10 -4.42 118.68 113.75 1d1j s LEU 63 Ca 0.00 -0.07 0.07 0.00 0.05 0.00 0.00 54.13 54.18 1d1j s LEU 63 Cb 0.00 2.59 -0.03 0.00 -2.05 0.00 0.00 46.19 46.70 1d1j s LEU 63 CO 0.00 -1.01 -0.17 0.42 -0.55 0.00 0.00 176.35 175.04 1d1j s THR 64 N -3.77 2.88 -0.21 5.48 -4.23 -1.26 -0.78 115.64 113.75 1d1j s THR 64 Ca 0.02 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1d1j s THR 64 Cb -0.01 -2.25 0.05 0.00 1.34 0.00 0.00 72.50 71.63 1d1j s THR 64 CO -0.11 0.27 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.43 1d1j s LEU 65 N -1.64 2.18 -1.42 4.79 1.43 -0.47 -4.65 118.68 118.90 1d1j s LEU 65 Ca 0.16 -0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 52.26 1d1j s LEU 65 Cb -0.11 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1d1j s LEU 65 CO 0.07 -0.22 0.11 0.61 0.23 0.00 0.00 176.35 177.15 1d1j n GLY 66 N 4.76 -0.33 2.75 -3.19 0.00 -1.26 -1.45 105.19 106.48 1d1j n GLY 66 Ca -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.13 0.00 -2.61 4.61 0.00 -1.26 -4.85 120.51 114.27 1d1j n ALA 67 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 1d1j n ALA 67 Cb 0.64 -0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 1d1j n ALA 67 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1d1j s LYS 68 N -0.46 3.96 0.13 0.00 2.47 -0.52 -4.99 119.74 120.32 1d1j s LYS 68 Ca 0.00 0.49 -0.31 0.00 -1.56 0.00 0.00 55.97 54.58 1d1j s LYS 68 Cb 0.00 -3.72 -0.09 0.00 -1.46 0.00 0.00 37.83 32.56 1d1j s LYS 68 CO 0.00 -0.61 1.55 0.15 0.16 0.00 0.00 175.35 176.61 1d1j s LYS 69 N 2.78 4.23 0.29 4.03 1.02 -1.26 -1.37 119.74 129.46 1d1j s LYS 69 Ca 0.29 2.30 0.02 0.00 0.02 0.00 0.00 55.97 58.60 1d1j s LYS 69 Cb -0.15 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.84 1d1j s LYS 69 CO 0.12 -0.61 0.12 0.00 -0.92 0.00 0.00 175.35 174.06 1d1j s SER 71 N -3.37 1.81 -0.22 0.00 1.04 0.02 -2.71 113.70 110.28 1d1j s SER 71 Ca 0.36 -0.62 -0.16 0.00 0.48 0.00 0.00 55.95 56.00 1d1j s SER 71 Cb 0.07 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 1d1j s SER 71 CO 0.15 -0.05 0.42 -0.69 0.98 0.00 0.00 173.24 174.05 1d1j s VAL 72 N -1.25 5.16 -0.15 5.02 1.01 -1.26 -1.89 120.40 127.04 1d1j s VAL 72 Ca -0.01 0.73 -0.19 0.00 0.00 0.00 0.00 61.98 62.52 1d1j s VAL 72 Cb -0.10 -3.75 -0.23 0.00 0.00 0.00 0.00 36.38 32.30 1d1j s VAL 72 CO 0.03 0.20 0.42 0.40 0.00 0.00 0.00 175.10 176.14 1d1j h ILE 73 N 5.17 1.03 -2.78 2.22 1.08 -0.84 -3.47 117.51 119.92 1d1j h ILE 73 Ca -0.34 -2.29 -0.13 0.00 -0.39 0.00 0.00 64.86 61.71 1d1j h ILE 73 Cb 1.16 2.56 -0.25 0.00 -3.07 0.00 0.00 36.82 37.22 1d1j h ILE 73 CO 0.70 0.54 -0.29 -0.60 -0.69 0.00 0.00 178.15 177.82 1d1j s ARG 74 N -2.40 0.42 -0.26 2.37 3.52 -0.89 -4.98 118.95 116.72 1d1j s ARG 74 Ca -0.24 0.59 -0.03 0.00 -0.13 0.00 0.00 55.73 55.93 1d1j s ARG 74 Cb 0.04 0.15 0.03 0.00 -1.56 0.00 0.00 34.95 33.60 1d1j s ARG 74 CO 0.68 -0.08 -0.03 0.34 -0.81 0.00 0.00 175.30 175.40 1d1j s ASP 75 N 0.53 4.54 -0.03 -2.12 2.15 -1.26 -1.03 116.67 119.45 1d1j s ASP 75 Ca -0.03 -0.90 0.05 0.00 0.43 0.00 0.00 52.55 52.10 1d1j s ASP 75 Cb -0.04 -1.71 0.07 0.00 -0.30 0.00 0.00 42.92 40.94 1d1j s ASP 75 CO -0.03 -0.16 0.95 -1.20 -0.17 0.00 0.00 175.17 174.56 1d1j n SER 76 N 4.70 0.77 0.09 -0.34 7.64 0.94 -4.87 113.62 122.55 1d1j n SER 76 Ca -0.16 -2.09 0.11 0.00 1.01 0.00 0.00 58.87 57.74 1d1j n SER 76 Cb 0.47 -0.20 0.59 0.00 -1.01 0.00 0.00 64.21 64.05 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 0.00 0.15 -1.79 -3.43 5.85 -1.07 -2.84 115.31 112.18 1d1j h LEU 77 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1d1j h LEU 77 Cb 1.15 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1d1j h LEU 77 CO 0.00 0.10 0.00 -1.22 -0.34 0.00 0.00 178.44 176.98 1d1j n TYR 78 N -4.48 0.00 -1.60 1.25 4.01 -1.26 -4.46 117.16 110.62 1d1j n TYR 78 Ca 0.03 -0.22 -0.31 0.00 -0.16 0.00 0.00 57.90 57.24 1d1j n TYR 78 Cb 0.26 -0.02 0.06 0.00 -0.31 0.00 0.00 39.34 39.33 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 -0.45 3.71 0.26 -0.72 -7.23 -1.17 -4.98 120.40 109.83 1d1j s VAL 79 Ca 0.00 0.56 -0.31 0.00 -1.81 0.00 0.00 61.98 60.42 1d1j s VAL 79 Cb 0.00 -3.33 -0.11 0.00 0.56 0.00 0.00 36.38 33.50 1d1j s VAL 79 CO 0.00 -0.73 1.63 -1.81 -0.31 0.00 0.00 175.10 173.88 1d1j s ASP 80 N -3.88 6.39 0.00 4.85 1.01 -1.26 -2.81 116.67 120.97 1d1j s ASP 80 Ca 0.59 2.90 0.00 0.00 0.71 0.00 0.00 52.55 56.75 1d1j s ASP 80 Cb -0.14 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.17 1d1j s ASP 80 CO 0.55 -0.92 0.00 0.61 0.21 0.00 0.00 175.17 175.61 1d1j n GLY 81 N 2.77 0.79 3.44 0.21 0.00 -1.26 -4.97 105.19 106.17 1d1j n GLY 81 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.68 2.25 -0.23 1.61 -1.08 -1.12 -5.07 116.67 110.35 1d1j s ASP 82 Ca 0.00 -1.50 0.09 0.00 -0.52 0.00 0.00 52.55 50.61 1d1j s ASP 82 Cb 0.00 0.22 0.27 0.00 -1.46 0.00 0.00 42.92 41.95 1d1j s ASP 82 CO 0.00 -0.77 1.27 0.00 0.52 0.00 0.00 175.17 176.19 1d1j s THR 84 N 0.09 1.33 -0.04 0.00 -4.23 -1.09 -0.44 115.64 111.26 1d1j s THR 84 Ca 0.06 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 58.49 1d1j s THR 84 Cb 0.30 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.73 1d1j s THR 84 CO -0.09 -0.28 0.07 -0.04 -0.54 0.00 0.00 174.62 173.75 1d1j s MET 85 N -3.80 -0.00 -0.25 3.99 -1.94 -0.71 -0.04 119.30 116.54 1d1j s MET 85 Ca 0.30 0.28 -0.09 0.00 -1.71 0.00 0.00 55.69 54.46 1d1j s MET 85 Cb 0.05 -0.26 -0.04 0.00 2.01 0.00 0.00 34.83 36.60 1d1j s MET 85 CO 0.11 -0.19 0.12 -0.51 -0.01 0.00 0.00 175.02 174.54 1d1j s ASP 86 N 1.27 5.63 0.28 3.03 1.01 -0.19 -1.39 116.67 126.29 1d1j s ASP 86 Ca -0.07 -0.06 0.06 0.00 0.71 0.00 0.00 52.55 53.19 1d1j s ASP 86 Cb -0.12 -2.02 -0.06 0.00 1.01 0.00 0.00 42.92 41.73 1d1j s ASP 86 CO -0.04 -0.00 -0.05 -0.63 0.21 0.00 0.00 175.17 174.66 1d1j s ILE 87 N 1.44 1.58 -0.15 0.77 1.01 0.37 -0.10 121.20 126.12 1d1j s ILE 87 Ca 0.06 -2.11 -0.09 0.00 0.00 0.00 0.00 60.65 58.51 1d1j s ILE 87 Cb -0.15 -2.46 0.05 0.00 0.01 0.00 0.00 42.46 39.91 1d1j s ILE 87 CO 0.06 -0.29 0.37 -0.60 0.00 0.00 0.00 174.94 174.48 1d1j s ARG 88 N -3.74 0.36 0.71 2.79 3.52 -0.79 -0.63 118.95 121.16 1d1j s ARG 88 Ca 0.30 0.69 -0.14 0.00 -0.13 0.00 0.00 55.73 56.45 1d1j s ARG 88 Cb 0.04 -0.01 0.03 0.00 -1.56 0.00 0.00 34.95 33.45 1d1j s ARG 88 CO 0.12 -0.14 1.12 0.95 -0.81 0.00 0.00 175.30 176.54 1d1j s THR 89 N 1.19 3.03 -0.10 4.11 -4.23 0.19 -0.80 115.64 119.03 1d1j s THR 89 Ca -0.08 0.45 -0.16 0.00 -1.18 0.00 0.00 61.69 60.72 1d1j s THR 89 Cb -0.08 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 1d1j s THR 89 CO -0.10 -0.33 0.39 -0.54 -0.54 0.00 0.00 174.62 173.51 1d1j s LYS 90 N -4.25 4.19 0.21 3.99 1.02 -0.05 -4.26 119.74 120.60 1d1j s LYS 90 Ca 0.67 0.31 -0.30 0.00 0.02 0.00 0.00 55.97 56.67 1d1j s LYS 90 Cb -0.21 -3.38 -0.09 0.00 -0.52 0.00 0.00 37.83 33.63 1d1j s LYS 90 CO 0.46 0.32 1.30 0.45 -0.92 0.00 0.00 175.35 176.96 1d1j s SER 91 N 0.13 6.90 0.00 2.83 0.15 -1.26 -4.89 113.70 117.56 1d1j s SER 91 Ca 0.22 2.42 0.00 0.00 0.70 0.00 0.00 55.95 59.29 1d1j s SER 91 Cb -0.15 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1d1j s SER 91 CO 0.09 -0.51 0.00 0.00 1.20 0.00 0.00 173.24 174.02 1d1j n GLN 92 N 2.42 0.00 -1.60 5.44 6.02 -1.26 -4.88 117.38 123.52 1d1j n GLN 92 Ca 0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.75 1d1j n GLN 92 Cb 0.43 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.65 1d1j n GLN 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1d1j n GLY 93 N 3.71 4.58 2.06 1.08 0.00 -1.26 -4.65 105.19 110.71 1d1j n GLY 93 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 0.78 0.84 3.78 -0.02 0.00 -1.26 -5.04 105.19 104.27 1d1j n GLY 94 Ca 0.51 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.19 1d1j n GLY 94 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1d1j s GLU 95 N -0.30 3.10 0.54 1.61 -1.05 -1.26 -5.02 118.70 116.31 1d1j s GLU 95 Ca 0.00 1.40 -0.16 0.00 -0.15 0.00 0.00 54.97 56.06 1d1j s GLU 95 Cb 0.00 -1.99 -0.07 0.00 -0.44 0.00 0.00 34.13 31.63 1d1j s GLU 95 CO 0.00 -1.02 1.01 -1.25 0.95 0.00 0.00 175.26 174.95 1d1j s PRO 96 N -3.86 3.78 0.60 -4.83 0.04 -1.26 -4.47 135.00 125.00 1d1j s PRO 96 Ca 0.68 1.02 -0.14 0.00 0.04 0.00 0.00 61.00 62.59 1d1j s PRO 96 Cb -0.20 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1d1j s PRO 96 CO 0.36 -0.42 1.04 0.95 0.04 0.00 0.00 177.00 178.97 1d1j s THR 97 N -2.59 4.17 -0.03 1.26 -4.23 -1.26 -4.80 115.64 108.16 1d1j s THR 97 Ca 0.60 0.90 0.04 0.00 -1.18 0.00 0.00 61.69 62.05 1d1j s THR 97 Cb -0.12 -3.54 -0.01 0.00 1.34 0.00 0.00 72.50 70.18 1d1j s THR 97 CO 0.33 -0.73 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.22 1d1j s TYR 98 N -2.75 1.47 0.42 3.99 2.02 -1.26 -4.73 117.35 116.51 1d1j s TYR 98 Ca 0.60 -0.36 -0.22 0.00 -0.37 0.00 0.00 57.07 56.71 1d1j s TYR 98 Cb -0.13 -0.98 -0.10 0.00 -0.40 0.00 0.00 41.96 40.34 1d1j s TYR 98 CO 0.43 -0.10 0.98 -0.80 -1.57 0.00 0.00 175.55 174.49 1d1j s ASN 99 N -0.08 6.82 0.00 2.29 0.01 -1.26 -0.64 114.94 122.09 1d1j s ASN 99 Ca -0.00 1.82 0.01 0.00 -0.71 0.00 0.00 52.86 53.98 1d1j s ASN 99 Cb -0.09 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.01 1d1j s ASN 99 CO 0.01 -0.44 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.43 1d1j s VAL 100 N -1.98 0.29 0.01 1.60 1.01 0.20 -0.80 120.40 120.73 1d1j s VAL 100 Ca 0.61 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.30 1d1j s VAL 100 Cb -0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 1d1j s VAL 100 CO 0.18 -0.03 -0.09 0.00 0.00 0.00 0.00 175.10 175.17 1d1j s ALA 101 N -0.34 0.74 -0.07 5.51 0.00 -0.33 -0.47 121.76 126.79 1d1j s ALA 101 Ca -0.01 -0.48 0.06 0.00 0.00 0.00 0.00 51.96 51.53 1d1j s ALA 101 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1d1j s ALA 101 CO -0.00 0.15 -0.25 0.08 0.00 0.00 0.00 175.76 175.74 1d1j s VAL 102 N -0.44 2.05 -0.13 0.00 1.01 -0.49 -1.32 120.40 121.09 1d1j s VAL 102 Ca 0.01 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 60.97 1d1j s VAL 102 Cb -0.05 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.59 1d1j s VAL 102 CO 0.00 0.57 -0.22 -0.83 0.00 0.00 0.00 175.10 174.62 1d1j s GLY 103 N -0.04 1.31 -0.31 4.51 0.00 0.13 -1.74 107.32 111.18 1d1j s GLY 103 Ca -0.07 -1.02 -0.11 0.00 0.00 0.00 0.00 44.72 43.52 1d1j s GLY 103 CO 0.05 -0.08 0.18 -1.60 0.00 0.00 0.00 173.10 171.65 1d1j s ARG 104 N 0.70 3.53 0.00 2.90 3.52 0.42 0.86 118.95 130.88 1d1j s ARG 104 Ca -0.10 -0.60 0.00 0.00 -0.13 0.00 0.00 55.73 54.90 1d1j s ARG 104 Cb -0.16 -3.64 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 1d1j s ARG 104 CO 0.01 -0.36 0.00 0.00 -0.81 0.00 0.00 175.30 174.14 1d1j n ALA 105 N 5.03 0.00 -0.08 6.12 0.00 -0.21 -4.87 120.51 126.50 1d1j n ALA 105 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 1d1j n ALA 105 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 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 0.92 0.00 0.00 0.00 -1.89 -3.39 103.07 98.71 1d1j h GLY 106 Ca 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 47.33 46.33 1d1j h GLY 106 CO 0.00 0.89 -1.10 0.54 0.00 0.00 0.00 176.54 176.87 1d1j n ARG 107 N -4.03 1.29 -4.44 4.80 5.12 -1.26 -4.94 116.66 113.20 1d1j n ARG 107 Ca -0.03 -0.01 -0.22 0.00 -1.93 0.00 0.00 57.85 55.66 1d1j n ARG 107 Cb 0.58 -1.05 -0.10 0.00 -1.16 0.00 0.00 32.46 30.73 1d1j n ARG 107 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1d1j s ALA 108 N -2.10 2.38 -0.08 7.54 0.00 -1.26 -2.24 121.76 126.00 1d1j s ALA 108 Ca -0.01 -1.97 0.02 0.00 0.00 0.00 0.00 51.96 50.00 1d1j s ALA 108 Cb 0.01 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 1d1j s ALA 108 CO 0.08 -0.16 -0.14 -0.51 0.00 0.00 0.00 175.76 175.03 1d1j s LEU 109 N -3.47 2.73 -0.32 0.00 1.02 0.13 -1.05 118.68 117.72 1d1j s LEU 109 Ca 0.32 -0.24 -0.11 0.00 0.02 0.00 0.00 54.13 54.11 1d1j s LEU 109 Cb 0.06 -1.58 -0.02 0.00 0.02 0.00 0.00 46.19 44.68 1d1j s LEU 109 CO 0.13 0.28 0.20 -0.69 0.02 0.00 0.00 176.35 176.29 1d1j s VAL 110 N -0.34 5.00 -0.09 -1.59 1.01 0.25 -1.26 120.40 123.37 1d1j s VAL 110 Ca 0.03 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1d1j s VAL 110 Cb -0.13 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 1d1j s VAL 110 CO 0.02 0.04 -0.24 -0.63 0.00 0.00 0.00 175.10 174.29 1d1j s ILE 111 N 1.68 2.05 -0.01 2.22 1.01 -0.07 0.20 121.20 128.28 1d1j s ILE 111 Ca 0.06 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1d1j s ILE 111 Cb -0.17 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.53 1d1j s ILE 111 CO 0.09 0.56 -0.06 0.68 0.00 0.00 0.00 174.94 176.21 1d1j s VAL 112 N 0.23 0.49 -0.17 2.92 -7.23 -0.44 -0.66 120.40 115.54 1d1j s VAL 112 Ca -0.16 -0.23 -0.00 0.00 -1.81 0.00 0.00 61.98 59.78 1d1j s VAL 112 Cb -0.17 -0.43 -0.00 0.00 0.56 0.00 0.00 36.38 36.33 1d1j s VAL 112 CO 0.08 0.15 -0.14 -0.32 -0.31 0.00 0.00 175.10 174.56 1d1j s MET 113 N 0.07 3.22 0.49 4.82 1.75 -0.26 -1.19 119.30 128.19 1d1j s MET 113 Ca -0.00 -0.73 -0.18 0.00 -1.25 0.00 0.00 55.69 53.52 1d1j s MET 113 Cb -0.05 -2.69 -0.09 0.00 2.84 0.00 0.00 34.83 34.84 1d1j s MET 113 CO -0.00 -0.05 0.98 0.20 -0.65 0.00 0.00 175.02 175.49 1d1j s GLY 114 N 1.00 2.19 1.00 2.11 0.00 0.02 -0.67 107.32 112.98 1d1j s GLY 114 Ca -0.02 0.28 -0.13 0.00 0.00 0.00 0.00 44.72 44.85 1d1j s GLY 114 CO -0.03 0.56 1.12 0.54 0.00 0.00 0.00 173.10 175.29 1d1j s LYS 115 N -3.74 0.40 0.16 2.90 1.02 -0.29 -4.45 119.74 115.75 1d1j s LYS 115 Ca 0.60 0.32 -0.34 0.00 0.02 0.00 0.00 55.97 56.57 1d1j s LYS 115 Cb -0.10 -1.75 -0.14 0.00 -0.52 0.00 0.00 37.83 35.32 1d1j s LYS 115 CO 0.25 -2.70 1.58 -1.91 -0.92 0.00 0.00 175.35 171.65 1d1j n GLU 116 N -4.12 2.17 0.00 1.68 2.13 -1.26 -2.07 120.64 119.17 1d1j n GLU 116 Ca 0.07 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.67 1d1j n GLU 116 Cb 0.58 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.74 1d1j n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1d1j n GLY 117 N 3.43 2.42 3.73 8.31 0.00 -1.26 -5.02 105.19 116.81 1d1j n GLY 117 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.23 3.04 0.38 1.61 1.01 -0.88 -4.98 120.40 118.34 1d1j s VAL 118 Ca 0.00 0.83 -0.24 0.00 0.00 0.00 0.00 61.98 62.57 1d1j s VAL 118 Cb 0.00 -3.53 -0.10 0.00 0.00 0.00 0.00 36.38 32.75 1d1j s VAL 118 CO 0.00 0.11 0.97 -1.00 0.00 0.00 0.00 175.10 175.18 1d1j s HIS 119 N 0.33 3.47 0.39 5.22 3.76 -1.26 -4.63 115.29 122.56 1d1j s HIS 119 Ca 0.60 1.70 0.10 0.00 -0.15 0.00 0.00 55.06 57.30 1d1j s HIS 119 Cb -0.38 -2.94 0.87 0.00 1.11 0.00 0.00 32.58 31.23 1d1j s HIS 119 CO 0.38 -0.08 1.95 0.78 -0.85 0.00 0.00 174.74 176.91 1d1j h GLY 120 N 2.60 0.84 1.08 -2.22 0.00 -1.97 -2.11 103.07 101.30 1d1j h GLY 120 Ca -0.48 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 1d1j h GLY 120 CO 0.63 0.15 0.47 -1.33 0.00 0.00 0.00 176.54 176.47 1d1j h GLY 121 N 0.60 1.29 0.96 4.60 0.00 -1.98 0.15 103.07 108.69 1d1j h GLY 121 Ca 0.32 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1d1j h GLY 121 CO -0.11 0.56 0.18 -0.84 0.00 0.00 0.00 176.54 176.32 1d1j h THR 122 N 1.21 1.14 -0.29 4.70 2.02 -1.78 -1.70 112.91 118.20 1d1j h THR 122 Ca 0.30 -0.36 -0.17 0.00 0.77 0.00 0.00 66.41 66.95 1d1j h THR 122 Cb 0.02 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1d1j h THR 122 CO -0.05 0.14 -0.50 -0.07 0.37 0.00 0.00 175.52 175.41 1d1j h LEU 123 N 0.40 0.88 -0.04 2.58 3.38 -1.34 -2.10 115.31 119.07 1d1j h LEU 123 Ca 0.11 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1d1j h LEU 123 Cb 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1d1j h LEU 123 CO -0.02 1.22 -0.08 -1.13 0.09 0.00 0.00 178.44 178.53 1d1j h ASN 124 N 0.63 -0.23 0.50 -0.43 -0.73 -0.55 0.37 115.58 115.13 1d1j h ASN 124 Ca 0.03 0.04 -0.12 0.00 1.87 0.00 0.00 56.30 58.12 1d1j h ASN 124 Cb 1.08 0.11 -0.02 0.00 0.27 0.00 0.00 38.32 39.77 1d1j h ASN 124 CO 0.11 -0.11 -0.55 0.11 -0.37 0.00 0.00 177.43 176.62 1d1j h LYS 125 N -0.12 0.06 -0.24 6.67 1.79 -1.34 -0.40 116.57 122.99 1d1j h LYS 125 Ca 0.05 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 1d1j h LYS 125 Cb 0.18 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1d1j h LYS 125 CO -0.11 0.59 0.01 -0.22 -1.08 0.00 0.00 179.45 178.64 1d1j h LYS 126 N 0.04 0.41 -0.54 3.15 3.64 -0.90 -0.74 116.57 121.64 1d1j h LYS 126 Ca -0.00 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.21 1d1j h LYS 126 Cb 0.99 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1d1j h LYS 126 CO 0.07 0.58 0.17 0.00 -2.27 0.00 0.00 179.45 178.00 1d1j h ALA 127 N 0.82 0.71 -0.08 5.00 0.00 -0.79 -2.90 119.26 122.02 1d1j h ALA 127 Ca 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1d1j h ALA 127 Cb 0.38 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1d1j h ALA 127 CO 0.01 0.37 0.05 -0.92 0.00 0.00 0.00 179.25 178.76 1d1j h TYR 128 N 0.75 0.11 -0.60 0.00 3.20 -0.98 -1.86 116.97 117.59 1d1j h TYR 128 Ca 0.17 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1d1j h TYR 128 Cb 0.28 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 1d1j h TYR 128 CO 0.02 0.14 0.34 0.93 -1.64 0.00 0.00 178.16 177.95 1d1j h GLU 129 N 0.05 0.83 -0.09 1.82 4.39 -1.10 -0.82 114.58 119.66 1d1j h GLU 129 Ca 0.03 -0.09 -0.15 0.00 0.34 0.00 0.00 59.36 59.49 1d1j h GLU 129 Cb 0.06 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1d1j h GLU 129 CO -0.01 0.62 -0.60 1.25 -1.16 0.00 0.00 179.01 179.11 1d1j h LEU 130 N 0.81 0.36 -0.43 1.33 5.85 -1.49 -1.72 115.31 120.02 1d1j h LEU 130 Ca 0.21 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1d1j h LEU 130 Cb 0.02 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1d1j h LEU 130 CO -0.04 0.87 0.16 0.00 -0.34 0.00 0.00 178.44 179.10 1d1j h ALA 131 N 1.13 0.56 -0.62 1.25 0.00 -1.01 -0.68 119.26 119.89 1d1j h ALA 131 Ca -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1d1j h ALA 131 Cb 1.12 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1d1j h ALA 131 CO 0.10 0.18 0.27 -0.07 0.00 0.00 0.00 179.25 179.72 1d1j h LEU 132 N 0.55 0.84 -0.50 0.00 4.07 -1.06 -1.48 115.31 117.73 1d1j h LEU 132 Ca 0.14 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1d1j h LEU 132 Cb 0.21 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 1d1j h LEU 132 CO -0.01 0.76 0.26 0.22 -1.08 0.00 0.00 178.44 178.60 1d1j h TYR 133 N 0.86 0.69 -0.27 1.13 3.20 -1.08 -2.38 116.97 119.12 1d1j h TYR 133 Ca 0.21 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 1d1j h TYR 133 Cb 0.17 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1d1j h TYR 133 CO 0.01 0.53 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.91 1d1j h LEU 134 N 0.66 0.40 -0.71 2.82 3.38 -0.90 -2.36 115.31 118.61 1d1j h LEU 134 Ca 0.17 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1d1j h LEU 134 Cb 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1d1j h LEU 134 CO -0.03 0.52 0.20 0.03 0.09 0.00 0.00 178.44 179.25 1d1j h ARG 135 N 0.40 1.11 -0.02 1.13 3.08 -0.81 -2.52 114.38 116.76 1d1j h ARG 135 Ca 0.08 -0.25 -0.14 0.00 0.07 0.00 0.00 59.98 59.74 1d1j h ARG 135 Cb 0.38 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1d1j h ARG 135 CO 0.02 0.97 -0.65 0.07 -1.07 0.00 0.00 179.97 179.30 1d1j h ARG 136 N 1.05 0.09 -0.01 0.04 0.11 -1.24 -3.48 114.38 110.94 1d1j h ARG 136 Ca 0.23 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.24 1d1j h ARG 136 Cb 0.33 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.43 1d1j h ARG 136 CO -0.00 0.71 0.00 0.43 0.10 0.00 0.00 179.97 181.21