#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ijm s SER 4 N 0.00 6.85 -0.06 7.72 1.04 -1.26 -5.04 113.70 122.95 3ijm s SER 4 Ca 0.00 1.78 -0.27 0.00 0.48 0.00 0.00 55.95 57.94 3ijm s SER 4 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 3ijm s SER 4 CO 0.00 -0.42 0.86 -1.00 0.98 0.00 0.00 173.24 173.66 3ijm s HIS 5 N -2.05 3.58 0.36 5.02 3.76 -1.26 -4.96 115.29 119.74 3ijm s HIS 5 Ca 0.62 1.46 0.09 0.00 -0.15 0.00 0.00 55.06 57.08 3ijm s HIS 5 Cb -0.12 -3.00 0.83 0.00 1.11 0.00 0.00 32.58 31.40 3ijm s HIS 5 CO 0.16 -0.04 1.89 -1.35 -0.85 0.00 0.00 174.74 174.55 3ijm h PRO 6 N 6.90 0.65 -4.47 8.40 0.11 -2.04 -3.38 132.00 138.18 3ijm h PRO 6 Ca -0.38 -0.04 -0.54 0.00 0.11 0.00 0.00 66.00 65.15 3ijm h PRO 6 Cb 1.19 -0.15 -0.35 0.00 0.11 0.00 0.00 31.00 31.80 3ijm h PRO 6 CO 0.78 0.43 -0.82 0.42 -0.21 0.00 0.00 178.00 178.60 3ijm s ILE 7 N -5.65 1.19 0.64 4.15 1.01 -1.26 -5.13 121.20 116.15 3ijm s ILE 7 Ca -0.10 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 3ijm s ILE 7 Cb 0.22 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.54 3ijm s ILE 7 CO 0.78 0.38 1.07 -0.94 0.00 0.00 0.00 174.94 176.24 3ijm s SER 8 N 1.19 5.46 0.26 3.58 1.04 -1.26 -4.87 113.70 119.09 3ijm s SER 8 Ca -0.04 1.82 -0.04 0.00 0.48 0.00 0.00 55.95 58.17 3ijm s SER 8 Cb -0.14 -2.53 0.34 0.00 0.10 0.00 0.00 66.02 63.79 3ijm s SER 8 CO -0.03 -1.39 1.92 -0.07 0.98 0.00 0.00 173.24 174.65 3ijm h LEU 9 N 0.01 1.09 -0.41 2.42 3.38 -1.96 -1.08 115.31 118.77 3ijm h LEU 9 Ca -0.46 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.55 3ijm h LEU 9 Cb 1.22 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 3ijm h LEU 9 CO 0.56 0.76 0.09 0.50 0.09 0.00 0.00 178.44 180.44 3ijm h LYS 10 N 1.27 0.22 -0.26 1.13 3.64 -1.92 -0.63 116.57 120.02 3ijm h LYS 10 Ca 0.38 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 3ijm h LYS 10 Cb -0.06 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3ijm h LYS 10 CO -0.10 0.14 0.11 1.15 -2.27 0.00 0.00 179.45 178.48 3ijm h THR 11 N 0.22 1.17 -0.44 1.00 2.02 -1.80 -0.91 112.91 114.17 3ijm h THR 11 Ca 0.20 -0.50 0.07 0.00 0.77 0.00 0.00 66.41 66.95 3ijm h THR 11 Cb 0.23 1.01 -0.06 0.00 -1.74 0.00 0.00 68.15 67.60 3ijm h THR 11 CO -0.25 0.17 0.07 -0.07 0.37 0.00 0.00 175.52 175.80 3ijm h LEU 12 N 0.27 -0.04 -0.52 2.58 3.38 -0.88 -0.57 115.31 119.54 3ijm h LEU 12 Ca 0.09 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3ijm h LEU 12 Cb 0.17 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3ijm h LEU 12 CO -0.01 0.01 0.22 0.58 0.09 0.00 0.00 178.44 179.33 3ijm h VAL 13 N 0.19 1.21 -0.94 1.22 2.07 -0.99 -2.39 116.25 116.63 3ijm h VAL 13 Ca 0.22 -0.64 0.09 0.00 0.82 0.00 0.00 66.70 67.18 3ijm h VAL 13 Cb 0.29 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 3ijm h VAL 13 CO -0.31 0.25 0.58 1.56 0.02 0.00 0.00 177.57 179.67 3ijm h GLN 14 N 0.69 0.96 0.00 1.57 4.20 -0.70 -2.38 115.11 119.46 3ijm h GLN 14 Ca 0.17 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3ijm h GLN 14 Cb 0.18 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3ijm h GLN 14 CO -0.02 0.64 0.00 0.93 -0.67 0.00 0.00 178.83 179.71 3ijm h GLU 15 N 0.99 0.00 -1.81 1.46 5.08 -0.86 -3.30 114.58 116.14 3ijm h GLU 15 Ca 0.43 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 58.04 3ijm h GLU 15 Cb 0.31 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.29 3ijm h GLU 15 CO -0.22 0.00 1.01 -3.47 -1.00 0.00 0.00 179.01 175.33 3ijm n ASP 16 N -2.84 7.52 -0.31 1.42 2.03 -0.90 -4.65 116.55 118.83 3ijm n ASP 16 Ca 0.03 -3.83 0.16 0.00 0.52 0.00 0.00 54.79 51.67 3ijm n ASP 16 Cb 0.44 -1.04 0.34 0.00 -0.72 0.00 0.00 41.12 40.13 3ijm n ASP 16 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 3ijm h ASP 17 N 2.82 0.12 0.90 1.67 2.03 -1.70 -0.58 116.42 121.67 3ijm h ASP 17 Ca 0.57 0.20 0.00 0.00 -0.73 0.00 0.00 57.03 57.07 3ijm h ASP 17 Cb 0.18 0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 3ijm h ASP 17 CO 1.46 -0.15 0.00 2.30 -1.03 0.00 0.00 179.24 181.81 3ijm n ILE 18 N -5.19 0.39 -2.36 4.15 -5.35 -1.26 -4.91 119.36 104.82 3ijm n ILE 18 Ca 0.24 0.05 -0.06 0.00 -0.27 0.00 0.00 62.75 62.71 3ijm n ILE 18 Cb 0.76 -0.68 0.01 0.00 -1.74 0.00 0.00 39.64 37.98 3ijm n ILE 18 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ijm n GLY 19 N 0.98 0.29 0.09 3.28 0.00 -0.23 -4.95 105.19 104.65 3ijm n GLY 19 Ca 0.06 -0.57 0.01 0.00 0.00 0.00 0.00 46.02 45.52 3ijm n GLY 19 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ijm n VAL 20 N -3.70 0.00 -0.50 1.61 0.24 -1.26 -4.74 118.33 109.97 3ijm n VAL 20 Ca -0.04 -0.50 0.10 0.00 -2.04 0.00 0.00 64.34 61.86 3ijm n VAL 20 Cb 0.54 1.05 0.32 0.00 -1.47 0.00 0.00 33.84 34.28 3ijm n VAL 20 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3ijm n ASN 21 N 0.07 4.26 -0.30 -1.34 5.15 -1.26 -4.59 115.26 117.25 3ijm n ASN 21 Ca 0.01 -2.26 0.06 0.00 -0.60 0.00 0.00 54.58 51.79 3ijm n ASN 21 Cb 0.06 -0.51 0.21 0.00 -0.53 0.00 0.00 39.78 39.01 3ijm n ASN 21 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ijm h ALA 22 N 3.87 1.27 -0.63 5.20 0.00 -1.97 -1.54 119.26 125.47 3ijm h ALA 22 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3ijm h ALA 22 Cb 1.21 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 3ijm h ALA 22 CO 0.12 -0.01 0.36 -1.35 0.00 0.00 0.00 179.25 178.37 3ijm h PRO 23 N 0.70 0.66 -0.09 0.00 0.11 -1.99 0.90 132.00 132.29 3ijm h PRO 23 Ca 0.45 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.49 3ijm h PRO 23 Cb 0.56 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 3ijm h PRO 23 CO -0.32 0.44 -0.04 0.82 -0.21 0.00 0.00 178.00 178.68 3ijm h ILE 24 N 0.68 1.32 -0.42 4.15 1.08 -1.76 -2.67 117.51 119.88 3ijm h ILE 24 Ca 0.27 -1.05 -0.00 0.00 -0.39 0.00 0.00 64.86 63.69 3ijm h ILE 24 Cb 0.12 1.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.68 3ijm h ILE 24 CO -0.15 0.29 0.25 0.40 -0.69 0.00 0.00 178.15 178.26 3ijm h ILE 25 N -0.18 1.14 -0.76 -0.67 2.04 -1.10 0.18 117.51 118.17 3ijm h ILE 25 Ca 0.02 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.60 3ijm h ILE 25 Cb 0.49 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 3ijm h ILE 25 CO 0.01 0.14 0.48 -0.74 0.00 0.00 0.00 178.15 178.04 3ijm h HIS 26 N 0.56 0.90 0.00 1.37 2.76 -0.86 -1.68 115.15 118.20 3ijm h HIS 26 Ca 0.15 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.17 3ijm h HIS 26 Cb 0.00 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.65 3ijm h HIS 26 CO -0.03 0.51 -0.81 1.96 -1.30 0.00 0.00 177.93 178.26 3ijm h GLN 27 N 0.93 0.03 -0.50 5.26 1.08 -1.25 -2.61 115.11 118.06 3ijm h GLN 27 Ca 0.30 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.44 3ijm h GLN 27 Cb 0.02 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 3ijm h GLN 27 CO -0.11 0.83 0.22 1.03 -0.95 0.00 0.00 178.83 179.84 3ijm h SER 28 N 0.02 0.67 -0.22 1.46 0.87 -0.47 -1.01 113.55 114.88 3ijm h SER 28 Ca -0.01 -0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.43 3ijm h SER 28 Cb 1.43 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 63.19 3ijm h SER 28 CO 0.11 0.64 0.01 0.58 -0.53 0.00 0.00 176.83 177.63 3ijm h VAL 29 N 0.66 0.85 -0.55 2.23 2.07 -1.14 0.62 116.25 121.00 3ijm h VAL 29 Ca 0.17 -0.03 0.11 0.00 0.82 0.00 0.00 66.70 67.77 3ijm h VAL 29 Cb 0.16 0.77 -0.09 0.00 -1.52 0.00 0.00 31.29 30.61 3ijm h VAL 29 CO -0.02 0.01 0.06 0.40 0.02 0.00 0.00 177.57 178.05 3ijm h ILE 30 N 0.08 0.62 -0.43 4.57 2.04 -1.20 -0.92 117.51 122.28 3ijm h ILE 30 Ca 0.10 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3ijm h ILE 30 Cb 0.13 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3ijm h ILE 30 CO -0.17 0.03 0.23 0.00 0.00 0.00 0.00 178.15 178.25 3ijm h ALA 31 N 1.47 0.54 -0.49 1.87 0.00 -0.79 0.33 119.26 122.19 3ijm h ALA 31 Ca 0.29 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3ijm h ALA 31 Cb 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ijm h ALA 31 CO -0.41 0.07 0.14 0.00 0.00 0.00 0.00 179.25 179.04 3ijm h ARG 32 N 0.55 0.77 -0.27 0.00 3.08 -0.41 0.92 114.38 119.03 3ijm h ARG 32 Ca 0.15 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3ijm h ARG 32 Cb 0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3ijm h ARG 32 CO -0.02 0.74 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.50 3ijm h LEU 33 N 0.66 0.51 -0.04 3.04 3.38 -1.02 0.02 115.31 121.87 3ijm h LEU 33 Ca 0.16 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3ijm h LEU 33 Cb 0.30 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ijm h LEU 33 CO -0.00 0.74 0.02 0.74 0.09 0.00 0.00 178.44 180.03 3ijm h THR 34 N 0.27 1.12 -0.78 0.22 2.02 -0.78 -1.77 112.91 113.21 3ijm h THR 34 Ca 0.07 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 3ijm h THR 34 Cb 0.51 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 3ijm h THR 34 CO 0.02 0.10 0.34 0.00 0.37 0.00 0.00 175.52 176.34 3ijm h ALA 35 N 0.88 1.12 -0.28 6.16 0.00 -0.83 -1.44 119.26 124.86 3ijm h ALA 35 Ca 0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3ijm h ALA 35 Cb 0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ijm h ALA 35 CO -0.00 0.64 -0.26 0.78 0.00 0.00 0.00 179.25 180.41 3ijm h GLY 36 N 1.15 0.73 2.00 0.00 0.00 -0.83 -3.22 103.07 102.90 3ijm h GLY 36 Ca 0.26 -0.73 -0.14 0.00 0.00 0.00 0.00 47.33 46.72 3ijm h GLY 36 CO -0.03 0.66 -0.65 1.41 0.00 0.00 0.00 176.54 177.93 3ijm h LEU 37 N 0.40 0.00 -0.52 3.11 3.38 -1.29 -3.38 115.31 117.01 3ijm h LEU 37 Ca 0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3ijm h LEU 37 Cb 0.82 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3ijm h LEU 37 CO 0.07 0.65 0.34 0.22 0.09 0.00 0.00 178.44 179.81 3ijm h TYR 38 N 0.00 0.64 0.00 1.13 3.20 -1.26 -1.41 116.97 119.27 3ijm h TYR 38 Ca -0.01 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 3ijm h TYR 38 Cb 1.23 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.29 3ijm h TYR 38 CO 0.00 0.39 -0.12 -1.35 -1.64 0.00 0.00 178.16 175.45 3ijm h PRO 39 N 0.69 0.00 -0.67 1.82 0.11 -1.74 0.42 132.00 132.63 3ijm h PRO 39 Ca 0.20 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 3ijm h PRO 39 Cb -0.05 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 3ijm h PRO 39 CO -0.06 0.12 0.24 -0.07 -0.21 0.00 0.00 178.00 178.02 3ijm h LEU 40 N 0.00 0.92 -0.17 2.35 3.38 -1.49 -0.98 115.31 119.32 3ijm h LEU 40 Ca -0.00 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3ijm h LEU 40 Cb 0.26 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3ijm h LEU 40 CO 0.02 0.84 -0.20 0.22 0.09 0.00 0.00 178.44 179.41 3ijm h TYR 41 N 0.97 0.52 -0.83 1.13 3.20 -0.92 0.43 116.97 121.47 3ijm h TYR 41 Ca 0.22 -0.16 0.04 0.00 3.14 0.00 0.00 58.73 61.97 3ijm h TYR 41 Cb 0.23 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.35 3ijm h TYR 41 CO 0.02 0.82 0.54 1.96 -1.64 0.00 0.00 178.16 179.86 3ijm h GLN 42 N 0.07 0.97 -0.10 1.82 4.20 -0.86 -2.05 115.11 119.17 3ijm h GLN 42 Ca 0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3ijm h GLN 42 Cb 0.75 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3ijm h GLN 42 CO 0.05 0.64 0.00 -1.13 -0.67 0.00 0.00 178.83 177.72 3ijm n SER 43 N -4.46 1.28 -1.11 1.46 3.41 -0.38 -4.91 113.62 108.91 3ijm n SER 43 Ca 0.11 -1.57 -0.14 0.00 -0.26 0.00 0.00 58.87 57.00 3ijm n SER 43 Cb 0.13 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 3ijm n SER 43 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ijm n LYS 44 N 0.05 -1.00 0.07 4.33 5.02 -0.77 -4.89 118.16 120.96 3ijm n LYS 44 Ca 0.17 1.00 -0.06 0.00 -2.02 0.00 0.00 58.31 57.40 3ijm n LYS 44 Cb 0.28 -5.11 0.09 0.00 -0.02 0.00 0.00 35.03 30.27 3ijm n LYS 44 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3ijm h LYS 45 N 0.00 0.28 -6.47 1.97 1.57 -1.18 -3.43 116.57 109.31 3ijm h LYS 45 Ca -0.30 -0.21 -0.61 0.00 -1.87 0.00 0.00 60.65 57.66 3ijm h LYS 45 Cb 0.94 0.04 -0.22 0.00 0.08 0.00 0.00 32.23 33.07 3ijm h LYS 45 CO 0.43 0.83 -0.84 0.96 -0.57 0.00 0.00 179.45 180.26 3ijm s ILE 46 N -3.71 1.95 -2.59 1.86 -4.36 -0.87 -5.00 121.20 108.48 3ijm s ILE 46 Ca -0.04 -1.65 0.27 0.00 -0.26 0.00 0.00 60.65 58.96 3ijm s ILE 46 Cb 0.12 -1.76 0.43 0.00 1.25 0.00 0.00 42.46 42.50 3ijm s ILE 46 CO 0.81 -0.01 1.60 -0.81 0.24 0.00 0.00 174.94 176.77 3ijm n PRO 47 N 0.98 1.79 -5.29 0.37 -0.04 -1.26 -4.34 135.00 127.21 3ijm n PRO 47 Ca -0.19 -1.20 -0.31 0.00 -0.04 0.00 0.00 63.50 61.76 3ijm n PRO 47 Cb 0.53 -1.48 -0.16 0.00 -0.04 0.00 0.00 33.50 32.36 3ijm n PRO 47 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3ijm s PHE 48 N -2.03 2.36 -0.08 0.54 0.08 -1.26 -4.77 117.98 112.81 3ijm s PHE 48 Ca 0.34 -0.45 -0.28 0.00 0.12 0.00 0.00 56.93 56.67 3ijm s PHE 48 Cb 0.21 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 41.12 3ijm s PHE 48 CO 0.34 -0.04 0.92 -2.00 -0.10 0.00 0.00 175.22 174.34 3ijm s GLU 49 N -0.58 4.44 -0.11 0.44 2.12 -0.30 -4.62 118.70 120.08 3ijm s GLU 49 Ca 0.09 1.25 -0.30 0.00 0.36 0.00 0.00 54.97 56.38 3ijm s GLU 49 Cb -0.10 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 3ijm s GLU 49 CO -0.01 -0.18 1.29 -2.14 -0.54 0.00 0.00 175.26 173.68 3ijm s PRO 50 N 1.57 4.27 -0.08 4.30 0.02 -1.26 -0.56 135.00 143.25 3ijm s PRO 50 Ca 0.46 1.73 0.02 0.00 0.02 0.00 0.00 61.00 63.23 3ijm s PRO 50 Cb -0.19 -3.71 0.02 0.00 0.02 0.00 0.00 34.50 30.64 3ijm s PRO 50 CO 0.20 -0.63 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.60 3ijm s LEU 51 N 3.08 1.58 0.27 -5.54 1.43 0.13 -4.98 118.68 114.65 3ijm s LEU 51 Ca 0.57 -0.33 -0.22 0.00 -1.03 0.00 0.00 54.13 53.12 3ijm s LEU 51 Cb -0.24 -0.89 -0.09 0.00 0.03 0.00 0.00 46.19 44.99 3ijm s LEU 51 CO 0.19 0.00 0.82 -2.16 0.23 0.00 0.00 176.35 175.43 3ijm s PRO 52 N 0.92 4.38 -1.35 1.29 0.04 -1.26 -1.19 135.00 137.83 3ijm s PRO 52 Ca -0.09 1.06 -0.21 0.00 0.04 0.00 0.00 61.00 61.80 3ijm s PRO 52 Cb -0.15 -2.81 0.03 0.00 0.04 0.00 0.00 34.50 31.61 3ijm s PRO 52 CO 0.00 0.33 0.39 0.39 0.04 0.00 0.00 177.00 178.15 3ijm n GLU 53 N 0.57 -0.50 0.00 4.56 1.02 0.11 -4.96 120.64 121.44 3ijm n GLU 53 Ca -0.00 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3ijm n GLU 53 Cb 0.51 -2.88 0.00 0.00 -0.02 0.00 0.00 31.44 29.05 3ijm n GLU 53 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3ijm n THR 54 N -4.86 0.00 0.00 2.62 -1.04 -1.24 -4.96 114.28 104.80 3ijm n THR 54 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 3ijm n THR 54 Cb 0.61 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 3ijm n THR 54 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3ijm n LEU 56 N 0.00 0.00 0.00 -4.42 4.77 -0.65 -3.84 117.00 112.87 3ijm n LEU 56 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3ijm n LEU 56 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3ijm n LEU 56 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.39 177.13 3ijm n THR 57 N -1.55 0.00 -3.30 -5.08 5.66 -1.26 -4.90 114.28 103.84 3ijm n THR 57 Ca 0.00 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.62 3ijm n THR 57 Cb 0.33 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.05 3ijm n THR 57 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3ijm s GLU 58 N 0.92 4.15 0.00 1.09 0.41 -1.26 -4.76 118.70 119.26 3ijm s GLU 58 Ca 0.00 0.69 0.00 0.00 -0.41 0.00 0.00 54.97 55.25 3ijm s GLU 58 Cb 0.00 -3.21 0.00 0.00 -1.78 0.00 0.00 34.13 29.14 3ijm s GLU 58 CO 0.00 0.63 0.00 0.41 -0.49 0.00 0.00 175.26 175.81 3ijm n GLY 59 N 1.64 1.37 0.00 -1.39 0.00 -1.26 -4.07 105.19 101.48 3ijm n GLY 59 Ca -0.10 -1.93 0.05 0.00 0.00 0.00 0.00 46.02 44.04 3ijm n GLY 59 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ijm n TYR 60 N 1.70 0.00 0.46 1.61 4.01 -1.26 -1.42 117.16 122.26 3ijm n TYR 60 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 3ijm n TYR 60 Cb 0.00 -0.49 0.41 0.00 -0.31 0.00 0.00 39.34 38.95 3ijm n TYR 60 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3ijm h SER 61 N 0.00 0.00 -3.75 7.72 0.02 -1.98 -3.47 113.55 112.09 3ijm h SER 61 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 3ijm h SER 61 Cb 0.19 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.79 3ijm h SER 61 CO 0.00 0.00 0.66 -0.55 -1.14 0.00 0.00 176.83 175.80 3ijm s SER 62 N -4.92 6.76 0.55 3.07 0.15 -0.51 -4.99 113.70 113.82 3ijm s SER 62 Ca 0.07 2.66 -0.20 0.00 0.70 0.00 0.00 55.95 59.18 3ijm s SER 62 Cb 0.10 -2.64 -0.05 0.00 -1.71 0.00 0.00 66.02 61.72 3ijm s SER 62 CO 0.56 -0.56 1.23 -2.84 1.20 0.00 0.00 173.24 172.83 3ijm s PRO 63 N -1.41 3.21 -0.35 5.44 0.02 -1.26 -4.85 135.00 135.80 3ijm s PRO 63 Ca 0.51 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.44 3ijm s PRO 63 Cb -0.40 -2.12 0.11 0.00 0.02 0.00 0.00 34.50 32.11 3ijm s PRO 63 CO 0.50 -1.03 0.14 0.08 -0.33 0.00 0.00 177.00 176.36 3ijm s VAL 64 N -1.52 0.96 0.62 3.83 1.01 -1.26 -1.63 120.40 122.41 3ijm s VAL 64 Ca 0.73 -1.74 -0.15 0.00 0.00 0.00 0.00 61.98 60.82 3ijm s VAL 64 Cb -0.32 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 3ijm s VAL 64 CO 0.37 -0.76 1.06 -2.16 0.00 0.00 0.00 175.10 173.61 3ijm s PRO 65 N 1.23 3.20 0.18 2.72 0.04 -1.25 -4.84 135.00 136.28 3ijm s PRO 65 Ca 0.13 1.16 -0.13 0.00 0.04 0.00 0.00 61.00 62.20 3ijm s PRO 65 Cb -0.20 -2.02 0.14 0.00 0.04 0.00 0.00 34.50 32.47 3ijm s PRO 65 CO -0.16 -0.90 1.78 -0.44 0.04 0.00 0.00 177.00 177.32 3ijm h ASP 66 N 0.17 0.37 -4.29 6.66 3.32 -1.88 -3.07 116.42 117.69 3ijm h ASP 66 Ca -0.46 0.03 -0.29 0.00 0.02 0.00 0.00 57.03 56.33 3ijm h ASP 66 Cb 1.22 -0.04 -0.25 0.00 0.22 0.00 0.00 39.33 40.48 3ijm h ASP 66 CO 0.57 0.25 -0.74 -0.69 -1.72 0.00 0.00 179.24 176.91 3ijm s VAL 67 N -6.13 0.41 0.15 -1.35 1.01 -0.59 -0.72 120.40 113.18 3ijm s VAL 67 Ca -0.13 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3ijm s VAL 67 Cb 0.14 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 3ijm s VAL 67 CO 0.74 -0.12 0.03 -1.48 0.00 0.00 0.00 175.10 174.26 3ijm s LEU 68 N -0.76 1.95 -0.27 3.92 0.05 -0.34 -0.42 118.68 122.82 3ijm s LEU 68 Ca -0.04 -1.19 -0.01 0.00 0.05 0.00 0.00 54.13 52.94 3ijm s LEU 68 Cb -0.05 0.14 0.04 0.00 -2.05 0.00 0.00 46.19 44.26 3ijm s LEU 68 CO -0.00 -0.66 -0.04 -0.76 -0.55 0.00 0.00 176.35 174.34 3ijm s LEU 69 N -3.10 3.49 -0.22 1.48 2.01 -0.08 -0.70 118.68 121.56 3ijm s LEU 69 Ca 0.23 -1.09 -0.10 0.00 0.01 0.00 0.00 54.13 53.19 3ijm s LEU 69 Cb 0.07 -1.67 -0.05 0.00 0.01 0.00 0.00 46.19 44.55 3ijm s LEU 69 CO 0.02 -0.19 0.13 -0.47 1.01 0.00 0.00 176.35 176.86 3ijm s TYR 70 N 1.27 3.32 -0.56 0.29 5.04 0.28 -0.47 117.35 126.52 3ijm s TYR 70 Ca -0.03 0.20 -0.22 0.00 -2.44 0.00 0.00 57.07 54.58 3ijm s TYR 70 Cb -0.18 -2.20 0.06 0.00 0.35 0.00 0.00 41.96 39.98 3ijm s TYR 70 CO -0.03 0.12 0.83 0.34 -1.34 0.00 0.00 175.55 175.47 3ijm s ASP 71 N 0.77 6.26 0.48 4.32 -1.08 0.86 -1.15 116.67 127.13 3ijm s ASP 71 Ca 0.07 -0.73 0.25 0.00 -0.52 0.00 0.00 52.55 51.62 3ijm s ASP 71 Cb -0.13 -2.38 1.20 0.00 -1.46 0.00 0.00 42.92 40.16 3ijm s ASP 71 CO 0.02 -1.16 1.96 0.45 0.52 0.00 0.00 175.17 176.96 3ijm h HIS 72 N 9.25 0.00 0.14 -5.34 3.86 -1.86 0.27 115.15 121.48 3ijm h HIS 72 Ca -0.27 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.93 3ijm h HIS 72 Cb 1.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.55 3ijm h HIS 72 CO 0.87 0.18 -0.07 0.37 0.86 0.00 0.00 177.93 180.14 3ijm h GLN 73 N 0.00 -0.19 -0.00 2.45 5.75 -1.95 -3.29 115.11 117.89 3ijm h GLN 73 Ca -0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3ijm h GLN 73 Cb 0.52 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.11 3ijm h GLN 73 CO 0.02 0.24 -0.28 0.25 -2.65 0.00 0.00 178.83 176.42 3ijm n THR 74 N -4.95 0.00 -3.43 2.39 -2.24 -1.21 -4.97 114.28 99.87 3ijm n THR 74 Ca -0.08 -0.02 -0.17 0.00 -2.27 0.00 0.00 64.05 61.50 3ijm n THR 74 Cb 0.26 0.01 0.09 0.00 -2.10 0.00 0.00 70.33 68.59 3ijm n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ijm n GLU 75 N -1.34 -6.69 -3.90 -0.78 1.02 0.92 -5.03 120.64 104.84 3ijm n GLU 75 Ca 0.08 0.84 -0.11 0.00 -0.02 0.00 0.00 57.16 57.96 3ijm n GLU 75 Cb 0.33 -5.85 -0.11 0.00 -0.02 0.00 0.00 31.44 25.78 3ijm n GLU 75 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3ijm s GLU 76 N -5.42 0.29 -0.03 3.49 2.02 -1.00 -4.99 118.70 113.06 3ijm s GLU 76 Ca 0.04 -0.29 -0.30 0.00 0.02 0.00 0.00 54.97 54.44 3ijm s GLU 76 Cb -0.02 0.11 -0.03 0.00 0.10 0.00 0.00 34.13 34.29 3ijm s GLU 76 CO 0.73 -0.06 1.16 0.00 0.02 0.00 0.00 175.26 177.11 3ijm s ALA 77 N -0.91 3.44 -0.14 5.21 0.00 -1.26 -0.10 121.76 128.01 3ijm s ALA 77 Ca -0.10 0.63 0.19 0.00 0.00 0.00 0.00 51.96 52.68 3ijm s ALA 77 Cb -0.06 -3.48 -0.26 0.00 0.00 0.00 0.00 23.12 19.32 3ijm s ALA 77 CO 0.00 -0.64 0.30 1.63 0.00 0.00 0.00 175.76 177.05 3ijm n LYS 78 N 4.83 0.67 -4.11 0.00 4.76 0.38 -2.89 118.16 121.80 3ijm n LYS 78 Ca 0.10 -0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.35 3ijm n LYS 78 Cb 0.47 -1.57 -0.15 0.00 -1.84 0.00 0.00 35.03 31.94 3ijm n LYS 78 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3ijm s VAL 79 N -2.83 0.39 0.11 -0.18 1.01 -1.24 -0.83 120.40 116.84 3ijm s VAL 79 Ca -0.08 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 61.86 3ijm s VAL 79 Cb 0.09 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 3ijm s VAL 79 CO 0.85 0.15 -0.23 0.27 0.00 0.00 0.00 175.10 176.14 3ijm s ILE 80 N 0.40 1.93 -0.06 2.22 -4.36 -0.52 -0.91 121.20 119.90 3ijm s ILE 80 Ca -0.04 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 58.71 3ijm s ILE 80 Cb -0.08 -1.74 0.02 0.00 1.25 0.00 0.00 42.46 41.92 3ijm s ILE 80 CO -0.00 -0.00 -0.04 -0.63 0.24 0.00 0.00 174.94 174.50 3ijm s ILE 81 N -1.13 0.62 -0.09 8.37 1.01 0.44 -0.89 121.20 129.53 3ijm s ILE 81 Ca 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.62 3ijm s ILE 81 Cb -0.10 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 3ijm s ILE 81 CO 0.05 0.27 -0.01 -1.61 0.00 0.00 0.00 174.94 173.64 3ijm s GLU 82 N 1.32 3.01 -0.15 2.79 0.41 0.21 -1.55 118.70 124.74 3ijm s GLU 82 Ca -0.04 -0.43 -0.03 0.00 -0.41 0.00 0.00 54.97 54.06 3ijm s GLU 82 Cb -0.14 -2.78 -0.02 0.00 -1.78 0.00 0.00 34.13 29.41 3ijm s GLU 82 CO -0.02 0.67 -0.06 0.08 -0.49 0.00 0.00 175.26 175.43 3ijm s VAL 83 N -0.79 3.71 0.24 2.63 1.01 -1.26 -0.73 120.40 125.21 3ijm s VAL 83 Ca 0.12 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 3ijm s VAL 83 Cb -0.11 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 3ijm s VAL 83 CO 0.02 0.50 0.25 0.00 0.00 0.00 0.00 175.10 175.87 3ijm n GLN 85 N -0.36 1.34 -0.35 0.00 10.64 -1.26 -0.96 117.38 126.43 3ijm n GLN 85 Ca 0.02 -0.96 0.07 0.00 -1.83 0.00 0.00 57.00 54.29 3ijm n GLN 85 Cb 0.64 0.13 0.23 0.00 -0.86 0.00 0.00 30.24 30.38 3ijm n GLN 85 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 3ijm h ASN 86 N 0.21 0.88 0.63 2.61 2.35 -1.98 -2.49 115.58 117.79 3ijm h ASN 86 Ca -0.10 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 3ijm h ASN 86 Cb 0.35 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 3ijm h ASN 86 CO 0.16 0.47 -0.13 0.77 -1.65 0.00 0.00 177.43 177.05 3ijm h SER 87 N 0.96 0.00 -0.02 5.81 4.64 -2.05 -2.83 113.55 120.06 3ijm h SER 87 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3ijm h SER 87 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3ijm h SER 87 CO -0.27 0.13 -0.20 0.61 -0.87 0.00 0.00 176.83 176.24 3ijm n GLY 88 N -0.32 0.40 0.08 -0.77 0.00 -0.96 -4.70 105.19 98.92 3ijm n GLY 88 Ca -0.01 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 3ijm n GLY 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ijm h LEU 89 N 3.28 0.08 -0.17 0.99 5.85 -1.25 -0.52 115.31 123.57 3ijm h LEU 89 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3ijm h LEU 89 Cb 0.79 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3ijm h LEU 89 CO 0.00 0.06 0.06 0.50 -0.34 0.00 0.00 178.44 178.73 3ijm h LYS 90 N 0.12 0.15 -0.19 1.25 3.64 -1.84 -1.27 116.57 118.42 3ijm h LYS 90 Ca 0.05 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 3ijm h LYS 90 Cb 0.01 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3ijm h LYS 90 CO -0.04 0.10 -0.08 1.25 -2.27 0.00 0.00 179.45 178.41 3ijm h HIS 91 N 0.15 -0.19 -0.06 1.91 2.76 -1.83 -1.96 115.15 115.93 3ijm h HIS 91 Ca 0.07 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.12 3ijm h HIS 91 Cb 0.04 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 3ijm h HIS 91 CO -0.11 -0.13 -0.59 -0.44 -1.30 0.00 0.00 177.93 175.36 3ijm h ASP 92 N -0.05 0.24 -0.36 3.26 3.32 -0.96 -0.38 116.42 121.49 3ijm h ASP 92 Ca 0.10 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3ijm h ASP 92 Cb 0.21 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3ijm h ASP 92 CO -0.23 0.78 0.16 0.74 -1.72 0.00 0.00 179.24 178.97 3ijm h THR 93 N 0.16 1.18 -0.55 0.35 2.02 -1.12 -1.51 112.91 113.43 3ijm h THR 93 Ca -0.00 -0.53 -0.09 0.00 0.77 0.00 0.00 66.41 66.56 3ijm h THR 93 Cb 1.09 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 3ijm h THR 93 CO 0.09 0.19 -0.00 0.28 0.37 0.00 0.00 175.52 176.45 3ijm h SER 94 N 0.44 0.92 -0.05 4.18 0.02 -1.17 -2.90 113.55 114.99 3ijm h SER 94 Ca 0.12 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3ijm h SER 94 Cb 0.16 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 3ijm h SER 94 CO -0.01 0.98 0.03 0.50 -1.14 0.00 0.00 176.83 177.19 3ijm h LYS 95 N 0.87 0.08 -0.43 3.45 3.64 -0.95 -1.17 116.57 122.06 3ijm h LYS 95 Ca 0.16 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3ijm h LYS 95 Cb 0.52 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3ijm h LYS 95 CO 0.03 0.16 -0.01 -0.84 -2.27 0.00 0.00 179.45 176.52 3ijm h ILE 96 N -0.03 1.23 -0.37 2.00 3.07 -1.20 -0.60 117.51 121.61 3ijm h ILE 96 Ca 0.02 -0.95 -0.02 0.00 1.55 0.00 0.00 64.86 65.46 3ijm h ILE 96 Cb 0.11 0.91 -0.02 0.00 -0.27 0.00 0.00 36.82 37.56 3ijm h ILE 96 CO -0.00 0.33 0.14 0.58 -1.05 0.00 0.00 178.15 178.15 3ijm h VAL 97 N 0.66 1.20 -0.57 0.16 2.07 -1.37 -2.24 116.25 116.16 3ijm h VAL 97 Ca 0.13 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 3ijm h VAL 97 Cb 0.42 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3ijm h VAL 97 CO 0.02 0.22 -0.02 0.11 0.02 0.00 0.00 177.57 177.92 3ijm h LYS 98 N 0.45 0.99 -0.20 1.57 6.56 -0.93 0.10 116.57 125.11 3ijm h LYS 98 Ca 0.12 -0.31 -0.04 0.00 -1.06 0.00 0.00 60.65 59.36 3ijm h LYS 98 Cb 0.20 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 3ijm h LYS 98 CO -0.01 0.98 -0.07 -0.07 -2.06 0.00 0.00 179.45 178.22 3ijm h LEU 99 N 0.90 0.28 0.19 2.94 3.38 -0.99 -0.04 115.31 121.97 3ijm h LEU 99 Ca 0.16 -0.05 -0.34 0.00 0.09 0.00 0.00 57.88 57.74 3ijm h LEU 99 Cb 0.55 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.24 3ijm h LEU 99 CO 0.03 0.39 -1.69 0.40 0.09 0.00 0.00 178.44 177.66 3ijm h ILE 100 N 0.29 0.98 0.00 1.22 2.04 -1.01 -3.35 117.51 117.68 3ijm h ILE 100 Ca 0.06 -2.52 -0.29 0.00 1.00 0.00 0.00 64.86 63.12 3ijm h ILE 100 Cb 0.31 2.79 -0.05 0.00 -0.74 0.00 0.00 36.82 39.13 3ijm h ILE 100 CO 0.01 0.84 -2.26 -0.62 0.00 0.00 0.00 178.15 176.13 3ijm n GLU 101 N -3.65 0.80 -0.05 2.37 -0.58 0.32 -4.55 120.64 115.31 3ijm n GLU 101 Ca -0.24 -0.04 0.10 0.00 -0.42 0.00 0.00 57.16 56.55 3ijm n GLU 101 Cb 1.06 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 30.54 3ijm n GLU 101 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3ijm n ASP 102 N -2.63 2.76 -4.33 1.62 8.00 -0.03 -4.97 116.55 116.97 3ijm n ASP 102 Ca -0.26 -1.83 -0.17 0.00 0.71 0.00 0.00 54.79 53.23 3ijm n ASP 102 Cb 1.02 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.96 3ijm n ASP 102 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3ijm s ASN 103 N -1.51 1.51 -0.62 -2.24 0.01 -1.20 -5.00 114.94 105.90 3ijm s ASN 103 Ca 0.25 -1.33 0.04 0.00 -0.71 0.00 0.00 52.86 51.12 3ijm s ASN 103 Cb 0.17 0.09 0.34 0.00 0.41 0.00 0.00 41.25 42.25 3ijm s ASN 103 CO 0.25 -0.65 1.03 0.00 -1.51 0.00 0.00 177.10 176.21 3ijm n ALA 104 N -0.47 4.82 1.31 0.60 0.00 -1.26 -4.76 120.51 120.75 3ijm n ALA 104 Ca -0.02 -4.70 0.13 0.00 0.00 0.00 0.00 53.44 48.85 3ijm n ALA 104 Cb 0.66 -0.86 0.40 0.00 0.00 0.00 0.00 19.45 19.65 3ijm n ALA 104 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ijm n TYR 105 N -0.24 0.00 -0.77 0.00 4.01 -1.26 -4.95 117.16 113.95 3ijm n TYR 105 Ca 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.06 3ijm n TYR 105 Cb 0.38 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 3ijm n TYR 105 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ijm n GLY 106 N 1.29 0.68 3.68 2.72 0.00 -1.26 -4.06 105.19 108.23 3ijm n GLY 106 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3ijm n GLY 106 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ijm s ILE 107 N -2.35 3.99 -0.10 -0.61 1.01 -1.14 -4.47 121.20 117.52 3ijm s ILE 107 Ca 0.00 1.28 0.09 0.00 0.00 0.00 0.00 60.65 62.02 3ijm s ILE 107 Cb 0.00 -3.83 -0.24 0.00 0.01 0.00 0.00 42.46 38.41 3ijm s ILE 107 CO 0.00 -0.05 0.44 0.18 0.00 0.00 0.00 174.94 175.51 3ijm n LEU 108 N 5.96 1.24 -3.86 2.97 4.77 -0.01 -4.74 117.00 123.33 3ijm n LEU 108 Ca 0.13 0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.26 3ijm n LEU 108 Cb 0.44 -0.12 -0.12 0.00 -2.33 0.00 0.00 43.42 41.29 3ijm n LEU 108 CO 0.57 0.54 -0.23 -1.61 -1.33 0.00 0.00 177.39 175.34 3ijm s GLU 109 N -2.57 0.26 0.06 3.23 2.02 -1.09 -1.39 118.70 119.21 3ijm s GLU 109 Ca -0.11 -0.10 0.05 0.00 0.02 0.00 0.00 54.97 54.83 3ijm s GLU 109 Cb 0.07 0.11 -0.03 0.00 0.10 0.00 0.00 34.13 34.39 3ijm s GLU 109 CO 0.80 -0.05 -0.13 0.20 0.02 0.00 0.00 175.26 176.10 3ijm s GLY 110 N -0.54 0.79 0.01 -1.39 0.00 -0.10 -1.44 107.32 104.65 3ijm s GLY 110 Ca -0.06 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 43.77 3ijm s GLY 110 CO 0.00 -0.94 -0.11 -1.36 0.00 0.00 0.00 173.10 170.69 3ijm s PHE 111 N -1.20 0.95 -0.16 1.90 0.40 -0.07 -0.06 117.98 119.74 3ijm s PHE 111 Ca -0.03 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 3ijm s PHE 111 Cb -0.09 -0.59 0.00 0.00 0.51 0.00 0.00 43.02 42.85 3ijm s PHE 111 CO 0.02 -0.01 -0.16 0.08 0.70 0.00 0.00 175.22 175.85 3ijm s VAL 112 N -0.57 2.53 -0.24 -0.44 1.01 -0.28 -0.62 120.40 121.79 3ijm s VAL 112 Ca 0.01 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 3ijm s VAL 112 Cb -0.06 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 3ijm s VAL 112 CO 0.00 0.52 -0.01 0.12 0.00 0.00 0.00 175.10 175.73 3ijm s PHE 113 N 0.93 3.02 -0.45 5.22 5.36 0.09 -0.64 117.98 131.51 3ijm s PHE 113 Ca -0.03 -0.97 -0.19 0.00 -0.96 0.00 0.00 56.93 54.78 3ijm s PHE 113 Cb -0.15 -2.14 0.03 0.00 -0.34 0.00 0.00 43.02 40.42 3ijm s PHE 113 CO -0.02 -0.56 0.56 1.21 -1.46 0.00 0.00 175.22 174.95 3ijm s ASN 114 N 1.48 6.25 0.30 6.13 3.84 -0.11 -0.99 114.94 131.83 3ijm s ASN 114 Ca 0.04 -0.65 0.26 0.00 0.21 0.00 0.00 52.86 52.73 3ijm s ASN 114 Cb -0.15 -2.27 0.77 0.00 -0.55 0.00 0.00 41.25 39.04 3ijm s ASN 114 CO -0.02 -0.74 1.74 0.10 -2.79 0.00 0.00 177.10 175.40 3ijm h TYR 115 N 8.86 0.00 -0.37 0.43 -0.00 -1.36 0.49 116.97 125.02 3ijm h TYR 115 Ca -0.26 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.31 3ijm h TYR 115 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.82 3ijm h TYR 115 CO 0.69 0.00 -0.40 -0.22 -0.00 0.00 0.00 178.16 178.24 3ijm h LYS 116 N 0.00 0.91 0.00 0.10 1.63 -1.93 -3.28 116.57 114.00 3ijm h LYS 116 Ca 0.00 -0.49 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 3ijm h LYS 116 Cb 0.73 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 3ijm h LYS 116 CO 0.00 1.14 -0.88 0.25 -3.45 0.00 0.00 179.45 176.51 3ijm n THR 117 N -4.05 0.00 -3.42 1.00 -2.24 -1.18 -5.00 114.28 99.39 3ijm n THR 117 Ca -0.02 -0.15 -0.25 0.00 -2.27 0.00 0.00 64.05 61.36 3ijm n THR 117 Cb 0.55 0.89 0.04 0.00 -2.10 0.00 0.00 70.33 69.72 3ijm n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ijm n GLN 118 N -1.46 -5.89 -4.13 -0.78 3.00 0.17 -5.00 117.38 103.28 3ijm n GLN 118 Ca 0.02 0.78 -0.34 0.00 -0.01 0.00 0.00 57.00 57.45 3ijm n GLN 118 Cb 0.27 -5.70 -0.07 0.00 0.00 0.00 0.00 30.24 24.74 3ijm n GLN 118 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 3ijm s GLN 119 N -6.12 3.10 -0.02 -1.09 -0.21 -0.99 -4.92 119.66 109.42 3ijm s GLN 119 Ca 0.48 -0.42 0.01 0.00 0.02 0.00 0.00 55.36 55.45 3ijm s GLN 119 Cb -0.22 -2.89 -0.03 0.00 1.00 0.00 0.00 33.01 30.86 3ijm s GLN 119 CO 0.59 0.68 -0.01 -1.58 -2.12 0.00 0.00 175.29 172.85 3ijm s TRP 120 N -1.11 3.06 0.07 0.91 0.52 -1.26 -0.93 118.94 120.20 3ijm s TRP 120 Ca 0.20 0.08 0.07 0.00 0.02 0.00 0.00 56.10 56.47 3ijm s TRP 120 Cb -0.12 -1.69 -0.03 0.00 -1.15 0.00 0.00 33.47 30.49 3ijm s TRP 120 CO 0.10 0.44 -0.20 -0.51 0.02 0.00 0.00 176.95 176.80 3ijm s LEU 121 N -1.37 2.23 0.02 2.99 1.43 0.18 -3.78 118.68 120.39 3ijm s LEU 121 Ca 0.18 -0.59 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 3ijm s LEU 121 Cb -0.11 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.20 3ijm s LEU 121 CO 0.08 0.10 -0.17 -0.60 0.23 0.00 0.00 176.35 175.98 3ijm s ARG 122 N -1.52 1.26 -0.06 1.70 3.52 0.50 -1.12 118.95 123.23 3ijm s ARG 122 Ca 0.06 -0.74 0.02 0.00 -0.13 0.00 0.00 55.73 54.94 3ijm s ARG 122 Cb -0.09 -1.28 0.01 0.00 -1.56 0.00 0.00 34.95 32.03 3ijm s ARG 122 CO 0.03 0.34 -0.12 -0.47 -0.81 0.00 0.00 175.30 174.27 3ijm s TYR 123 N -0.63 1.36 -0.10 5.12 5.04 0.91 -0.85 117.35 128.19 3ijm s TYR 123 Ca 0.06 -0.47 -0.01 0.00 -2.44 0.00 0.00 57.07 54.21 3ijm s TYR 123 Cb -0.08 -1.00 -0.03 0.00 0.35 0.00 0.00 41.96 41.21 3ijm s TYR 123 CO 0.01 -0.24 -0.06 1.03 -1.34 0.00 0.00 175.55 174.95 3ijm s ARG 124 N 0.59 3.06 0.11 4.97 0.52 -1.26 -0.92 118.95 126.02 3ijm s ARG 124 Ca -0.12 -0.54 -0.36 0.00 -0.52 0.00 0.00 55.73 54.19 3ijm s ARG 124 Cb -0.15 -2.70 -0.16 0.00 0.52 0.00 0.00 34.95 32.47 3ijm s ARG 124 CO 0.03 0.52 1.31 -0.11 0.02 0.00 0.00 175.30 177.07 3ijm n LEU 125 N 2.66 1.72 0.00 2.53 7.94 -0.49 -1.99 117.00 129.38 3ijm n LEU 125 Ca -0.18 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.84 3ijm n LEU 125 Cb 0.53 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 43.26 3ijm n LEU 125 CO 0.29 -1.06 0.00 0.61 -1.11 0.00 0.00 177.39 176.12 3ijm n GLY 126 N 2.44 0.72 1.08 -3.96 0.00 -1.26 -4.95 105.19 99.26 3ijm n GLY 126 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 3ijm n GLY 126 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ijm n ASP 127 N 0.00 3.09 -2.29 1.61 8.00 -0.84 -4.92 116.55 121.20 3ijm n ASP 127 Ca 0.00 -2.32 -0.17 0.00 0.71 0.00 0.00 54.79 53.01 3ijm n ASP 127 Cb 0.00 -0.48 0.02 0.00 -0.02 0.00 0.00 41.12 40.64 3ijm n ASP 127 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ijm n GLY 128 N 0.66 -0.28 2.64 0.44 0.00 -1.26 -2.53 105.19 104.86 3ijm n GLY 128 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3ijm n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ijm n GLY 129 N -1.28 0.85 3.52 -0.02 0.00 -1.26 -5.00 105.19 102.00 3ijm n GLY 129 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3ijm n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ijm s VAL 130 N -3.38 5.26 0.42 1.61 1.01 -1.05 -5.05 120.40 119.22 3ijm s VAL 130 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 3ijm s VAL 130 Cb 0.00 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 3ijm s VAL 130 CO 0.00 -0.07 0.75 0.00 0.00 0.00 0.00 175.10 175.78 3ijm s ALA 131 N 1.77 3.41 0.30 5.51 0.00 -1.26 -4.77 121.76 126.71 3ijm s ALA 131 Ca 0.07 -0.38 0.05 0.00 0.00 0.00 0.00 51.96 51.70 3ijm s ALA 131 Cb -0.17 -2.60 -0.06 0.00 0.00 0.00 0.00 23.12 20.29 3ijm s ALA 131 CO 0.11 -0.13 -0.01 0.95 0.00 0.00 0.00 175.76 176.68 3ijm s THR 132 N -2.50 1.47 -1.22 0.00 -4.23 -0.03 -4.93 115.64 104.20 3ijm s THR 132 Ca 0.49 -2.07 -0.12 0.00 -1.18 0.00 0.00 61.69 58.80 3ijm s THR 132 Cb -0.10 -2.57 0.18 0.00 1.34 0.00 0.00 72.50 71.35 3ijm s THR 132 CO 0.37 -0.20 1.51 -0.46 -0.54 0.00 0.00 174.62 175.30 3ijm n ASN 133 N -0.62 5.24 -4.10 3.99 6.94 -1.26 -0.37 115.26 125.08 3ijm n ASN 133 Ca -0.04 -3.02 -0.19 0.00 -0.02 0.00 0.00 54.58 51.31 3ijm n ASN 133 Cb 0.65 -1.53 -0.13 0.00 -2.36 0.00 0.00 39.78 36.40 3ijm n ASN 133 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3ijm s SER 134 N 2.23 1.41 0.00 0.53 0.15 -1.25 -4.95 113.70 111.83 3ijm s SER 134 Ca 0.41 -0.39 0.15 0.00 0.70 0.00 0.00 55.95 56.82 3ijm s SER 134 Cb -0.01 -0.09 0.20 0.00 -1.71 0.00 0.00 66.02 64.42 3ijm s SER 134 CO 0.00 0.03 1.08 -1.54 1.20 0.00 0.00 173.24 174.01 3ijm n SER 135 N 2.12 2.54 -4.66 5.45 3.41 -1.26 -3.46 113.62 117.75 3ijm n SER 135 Ca -0.17 -1.73 -0.40 0.00 -0.26 0.00 0.00 58.87 56.31 3ijm n SER 135 Cb 0.55 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.35 3ijm n SER 135 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3ijm s PHE 136 N -1.17 3.39 -0.34 7.33 5.36 -1.26 -0.82 117.98 130.47 3ijm s PHE 136 Ca 0.21 0.91 -0.19 0.00 -0.96 0.00 0.00 56.93 56.90 3ijm s PHE 136 Cb 0.13 -2.77 -0.00 0.00 -0.34 0.00 0.00 43.02 40.04 3ijm s PHE 136 CO 0.19 -0.14 0.57 0.45 -1.46 0.00 0.00 175.22 174.83 3ijm s SER 137 N 1.16 6.38 0.23 6.13 0.15 0.15 -4.94 113.70 122.96 3ijm s SER 137 Ca 0.28 0.11 0.03 0.00 0.70 0.00 0.00 55.95 57.07 3ijm s SER 137 Cb -0.16 -2.30 0.22 0.00 -1.71 0.00 0.00 66.02 62.08 3ijm s SER 137 CO 0.10 -0.51 1.55 -0.33 1.20 0.00 0.00 173.24 175.25 3ijm h GLU 138 N 8.41 0.28 -0.37 5.44 5.08 -1.96 0.28 114.58 131.74 3ijm h GLU 138 Ca -0.27 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 3ijm h GLU 138 Cb 1.12 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 3ijm h GLU 138 CO 0.80 0.80 0.21 0.28 -1.00 0.00 0.00 179.01 180.09 3ijm h VAL 139 N 0.20 1.14 0.00 3.13 2.07 -1.96 -3.11 116.25 117.72 3ijm h VAL 139 Ca -0.01 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3ijm h VAL 139 Cb 1.12 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3ijm h VAL 139 CO 0.10 0.14 -0.88 0.18 0.02 0.00 0.00 177.57 177.13 3ijm n LEU 140 N -4.77 0.65 -3.70 2.57 4.77 -1.20 -4.97 117.00 110.34 3ijm n LEU 140 Ca -0.00 0.09 -0.22 0.00 -0.03 0.00 0.00 56.01 55.84 3ijm n LEU 140 Cb 0.07 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 3ijm n LEU 140 CO 0.35 -0.00 -0.01 0.00 -1.33 0.00 0.00 177.39 176.40 3ijm n GLN 141 N -2.05 -5.28 -3.82 3.23 1.13 0.95 -4.92 117.38 106.64 3ijm n GLN 141 Ca 0.02 0.65 -0.13 0.00 -1.94 0.00 0.00 57.00 55.60 3ijm n GLN 141 Cb 0.44 -5.31 -0.13 0.00 0.11 0.00 0.00 30.24 25.35 3ijm n GLN 141 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3ijm s VAL 142 N -3.57 -0.01 -0.44 5.09 1.01 -0.97 -5.00 120.40 116.50 3ijm s VAL 142 Ca 0.12 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.90 3ijm s VAL 142 Cb -0.06 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.17 3ijm s VAL 142 CO 0.80 0.02 0.88 -0.62 0.00 0.00 0.00 175.10 176.18 3ijm s ASP 143 N 0.30 6.49 0.54 3.32 -1.08 -1.26 -0.67 116.67 124.32 3ijm s ASP 143 Ca -0.02 0.11 0.32 0.00 -0.52 0.00 0.00 52.55 52.44 3ijm s ASP 143 Cb -0.03 -2.43 1.50 0.00 -1.46 0.00 0.00 42.92 40.50 3ijm s ASP 143 CO -0.01 -0.98 2.05 -0.07 0.52 0.00 0.00 175.17 176.68 3ijm h LEU 144 N 10.35 0.00 -1.81 -1.34 3.38 -1.36 -2.40 115.31 122.13 3ijm h LEU 144 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3ijm h LEU 144 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3ijm h LEU 144 CO 1.00 0.07 0.00 -1.13 0.09 0.00 0.00 178.44 178.47 3ijm h ASN 145 N 0.00 0.00 0.61 -0.43 -1.24 -1.92 -2.76 115.58 109.85 3ijm h ASN 145 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3ijm h ASN 145 Cb 0.41 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.46 3ijm h ASN 145 CO 0.01 0.00 0.00 0.35 -1.29 0.00 0.00 177.43 176.50 3ijm n THR 146 N -2.89 0.87 0.37 -3.57 -2.24 -0.90 -2.91 114.28 103.01 3ijm n THR 146 Ca -0.00 0.31 0.11 0.00 -2.27 0.00 0.00 64.05 62.19 3ijm n THR 146 Cb 0.20 -1.25 -0.08 0.00 -2.10 0.00 0.00 70.33 67.10 3ijm n THR 146 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3ijm n PHE 147 N -2.23 0.19 1.13 4.78 3.72 -1.04 -5.07 117.46 118.95 3ijm n PHE 147 Ca 0.02 0.06 0.13 0.00 -0.05 0.00 0.00 57.45 57.60 3ijm n PHE 147 Cb 0.20 -0.44 0.21 0.00 -0.94 0.00 0.00 39.48 38.51 3ijm n PHE 147 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04