#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ijm s HIS 5 N 0.00 1.73 0.40 7.33 0.09 -1.26 -4.87 115.29 118.71 3ijm s HIS 5 Ca 0.00 -0.21 0.18 0.00 -0.00 0.00 0.00 55.06 55.03 3ijm s HIS 5 Cb 0.00 -4.19 1.10 0.00 -0.00 0.00 0.00 32.58 29.49 3ijm s HIS 5 CO 0.00 -5.11 1.79 -1.35 -0.00 0.00 0.00 174.74 170.07 3ijm h PRO 6 N 9.61 0.39 -4.04 8.40 0.11 -2.05 -3.37 132.00 141.03 3ijm h PRO 6 Ca -0.47 -0.02 -0.47 0.00 0.11 0.00 0.00 66.00 65.14 3ijm h PRO 6 Cb 1.22 -0.09 -0.36 0.00 0.11 0.00 0.00 31.00 31.88 3ijm h PRO 6 CO 0.94 0.26 -0.79 0.42 -0.21 0.00 0.00 178.00 178.62 3ijm s ILE 7 N -5.47 0.72 0.70 4.15 1.01 -1.26 -5.14 121.20 115.91 3ijm s ILE 7 Ca -0.09 -0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.31 3ijm s ILE 7 Cb 0.25 -0.78 0.02 0.00 0.01 0.00 0.00 42.46 41.96 3ijm s ILE 7 CO 0.79 0.30 1.08 -0.94 0.00 0.00 0.00 174.94 176.18 3ijm s SER 8 N 1.53 5.08 0.24 3.58 1.04 -1.26 -4.89 113.70 119.01 3ijm s SER 8 Ca -0.00 1.79 -0.08 0.00 0.48 0.00 0.00 55.95 58.14 3ijm s SER 8 Cb -0.13 -2.52 0.22 0.00 0.10 0.00 0.00 66.02 63.69 3ijm s SER 8 CO -0.04 -1.65 1.91 -0.07 0.98 0.00 0.00 173.24 174.37 3ijm h LEU 9 N -0.56 1.06 -0.63 2.42 3.38 -1.94 -1.69 115.31 117.35 3ijm h LEU 9 Ca -0.45 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 57.61 3ijm h LEU 9 Cb 1.23 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.63 3ijm h LEU 9 CO 0.54 0.77 0.17 0.11 0.09 0.00 0.00 178.44 180.13 3ijm h LYS 10 N 1.24 0.30 -0.23 1.13 1.57 -1.92 -0.43 116.57 118.23 3ijm h LYS 10 Ca 0.34 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.06 3ijm h LYS 10 Cb -0.14 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3ijm h LYS 10 CO -0.07 0.20 -0.01 1.15 -0.57 0.00 0.00 179.45 180.15 3ijm h THR 11 N 0.31 1.26 -0.65 -0.16 2.02 -1.82 -0.16 112.91 113.72 3ijm h THR 11 Ca 0.33 -0.93 0.05 0.00 0.77 0.00 0.00 66.41 66.63 3ijm h THR 11 Cb 0.48 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 3ijm h THR 11 CO -0.39 0.29 0.37 -0.07 0.37 0.00 0.00 175.52 176.09 3ijm h LEU 12 N 0.18 0.57 -0.49 2.58 3.38 -0.98 -0.69 115.31 119.86 3ijm h LEU 12 Ca 0.06 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3ijm h LEU 12 Cb 0.43 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3ijm h LEU 12 CO 0.01 0.38 -0.12 0.58 0.09 0.00 0.00 178.44 179.38 3ijm h VAL 13 N 0.70 1.27 -1.00 1.22 2.07 -0.91 -2.38 116.25 117.23 3ijm h VAL 13 Ca 0.28 -1.26 0.09 0.00 0.82 0.00 0.00 66.70 66.63 3ijm h VAL 13 Cb 0.13 1.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 3ijm h VAL 13 CO -0.16 0.44 0.64 1.56 0.02 0.00 0.00 177.57 180.07 3ijm h GLN 14 N 0.80 1.05 0.00 1.57 4.20 -0.46 -2.71 115.11 119.56 3ijm h GLN 14 Ca 0.12 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3ijm h GLN 14 Cb 0.68 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3ijm h GLN 14 CO 0.05 0.69 -0.24 0.39 -0.67 0.00 0.00 178.83 179.05 3ijm n GLU 15 N -4.57 0.18 -2.27 1.46 1.02 -0.32 -4.52 120.64 111.63 3ijm n GLU 15 Ca 0.17 0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.99 3ijm n GLU 15 Cb 0.27 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3ijm n GLU 15 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3ijm n ASP 16 N -1.95 5.60 -0.11 1.62 2.03 -0.92 -4.77 116.55 118.05 3ijm n ASP 16 Ca 0.05 -3.11 -0.10 0.00 0.52 0.00 0.00 54.79 52.15 3ijm n ASP 16 Cb 0.40 -1.46 -0.02 0.00 -0.72 0.00 0.00 41.12 39.32 3ijm n ASP 16 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3ijm h ASP 17 N 5.54 0.48 1.13 1.67 3.32 -1.83 -3.07 116.42 123.66 3ijm h ASP 17 Ca 0.45 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3ijm h ASP 17 Cb 0.57 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3ijm h ASP 17 CO 1.61 0.57 -0.44 0.40 -1.72 0.00 0.00 179.24 179.66 3ijm h ILE 18 N 0.36 0.00 0.00 0.35 2.04 -1.99 -3.47 117.51 114.80 3ijm h ILE 18 Ca 0.10 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3ijm h ILE 18 Cb 0.28 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3ijm h ILE 18 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 3ijm n GLY 19 N 1.30 0.75 0.00 5.37 0.00 -1.16 -4.94 105.19 106.50 3ijm n GLY 19 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.25 0.01 1.36 1.61 0.24 -1.26 -3.13 118.33 114.91 3ijm n VAL 20 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.44 3ijm n VAL 20 Cb 0.00 -0.51 0.44 0.00 -1.47 0.00 0.00 33.84 32.30 3ijm n VAL 20 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3ijm n ASN 21 N -1.42 1.36 -0.29 -1.34 3.02 -1.26 -4.47 115.26 110.86 3ijm n ASN 21 Ca 0.10 -1.26 0.01 0.00 -0.03 0.00 0.00 54.58 53.40 3ijm n ASN 21 Cb 0.30 0.07 0.14 0.00 -0.61 0.00 0.00 39.78 39.68 3ijm n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ijm h ALA 22 N 4.07 1.12 -0.79 5.41 0.00 -1.95 -0.66 119.26 126.46 3ijm h ALA 22 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3ijm h ALA 22 Cb 0.52 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3ijm h ALA 22 CO 0.00 0.16 0.31 -1.35 0.00 0.00 0.00 179.25 178.37 3ijm h PRO 23 N 0.84 1.18 -0.34 0.00 0.11 -1.86 0.27 132.00 132.20 3ijm h PRO 23 Ca 0.37 -0.21 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 3ijm h PRO 23 Cb 0.25 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 3ijm h PRO 23 CO -0.21 0.95 0.14 0.82 -0.21 0.00 0.00 178.00 179.49 3ijm h ILE 24 N 1.15 1.18 -0.60 4.15 1.08 -1.61 -1.53 117.51 121.33 3ijm h ILE 24 Ca 0.26 -0.56 -0.04 0.00 -0.39 0.00 0.00 64.86 64.12 3ijm h ILE 24 Cb 0.22 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 34.87 3ijm h ILE 24 CO -0.02 0.20 0.21 0.40 -0.69 0.00 0.00 178.15 178.24 3ijm h ILE 25 N 0.40 1.24 -0.36 -0.67 2.04 -0.86 0.19 117.51 119.48 3ijm h ILE 25 Ca 0.11 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.19 3ijm h ILE 25 Cb 0.18 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3ijm h ILE 25 CO -0.01 0.30 0.23 -0.74 0.00 0.00 0.00 178.15 177.93 3ijm h HIS 26 N 0.85 0.43 -0.13 1.37 2.76 -0.75 -1.24 115.15 118.45 3ijm h HIS 26 Ca 0.20 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.27 3ijm h HIS 26 Cb 0.26 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 3ijm h HIS 26 CO 0.02 0.27 -0.42 1.96 -1.30 0.00 0.00 177.93 178.46 3ijm h GLN 27 N 0.47 0.29 -0.95 5.26 1.08 -1.05 -2.11 115.11 118.10 3ijm h GLN 27 Ca 0.14 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3ijm h GLN 27 Cb -0.03 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.35 3ijm h GLN 27 CO -0.04 0.66 0.59 1.03 -0.95 0.00 0.00 178.83 180.12 3ijm h SER 28 N 0.24 1.13 -0.52 1.46 0.87 -0.47 0.13 113.55 116.38 3ijm h SER 28 Ca 0.02 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 3ijm h SER 28 Cb 0.84 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 3ijm h SER 28 CO 0.07 0.85 0.16 0.58 -0.53 0.00 0.00 176.83 177.96 3ijm h VAL 29 N 1.30 1.23 -0.54 2.23 2.07 -0.63 0.39 116.25 122.31 3ijm h VAL 29 Ca 0.34 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 67.12 3ijm h VAL 29 Cb -0.08 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 3ijm h VAL 29 CO -0.07 0.29 0.29 0.40 0.02 0.00 0.00 177.57 178.50 3ijm h ILE 30 N 0.72 0.98 -0.34 4.57 2.04 -0.91 -0.04 117.51 124.53 3ijm h ILE 30 Ca 0.17 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 3ijm h ILE 30 Cb 0.28 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3ijm h ILE 30 CO -0.00 0.10 0.19 0.00 0.00 0.00 0.00 178.15 178.44 3ijm h ALA 31 N 1.28 0.43 -0.35 1.87 0.00 -0.42 -0.96 119.26 121.12 3ijm h ALA 31 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ijm h ALA 31 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3ijm h ALA 31 CO -0.15 -0.05 0.23 0.00 0.00 0.00 0.00 179.25 179.27 3ijm h ARG 32 N 0.43 0.46 -0.29 0.00 3.08 -0.21 0.18 114.38 118.02 3ijm h ARG 32 Ca 0.12 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 3ijm h ARG 32 Cb 0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3ijm h ARG 32 CO -0.02 0.31 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.11 3ijm h LEU 33 N 0.47 0.51 0.08 3.04 3.38 -0.90 0.49 115.31 122.38 3ijm h LEU 33 Ca 0.13 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3ijm h LEU 33 Cb -0.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3ijm h LEU 33 CO -0.03 0.70 -0.04 0.74 0.09 0.00 0.00 178.44 179.91 3ijm h THR 34 N 0.31 1.00 -0.46 0.22 2.02 -1.06 -0.02 112.91 114.91 3ijm h THR 34 Ca 0.08 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 3ijm h THR 34 Cb 0.45 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 3ijm h THR 34 CO 0.02 0.07 0.13 0.00 0.37 0.00 0.00 175.52 176.11 3ijm h ALA 35 N 0.67 1.36 -0.20 6.16 0.00 -0.65 -1.51 119.26 125.10 3ijm h ALA 35 Ca -0.01 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 3ijm h ALA 35 Cb 0.20 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3ijm h ALA 35 CO 0.02 0.46 -0.69 0.78 0.00 0.00 0.00 179.25 179.82 3ijm h GLY 36 N 0.87 0.88 2.00 0.00 0.00 -0.61 -3.30 103.07 102.91 3ijm h GLY 36 Ca 0.16 -1.15 -0.14 0.00 0.00 0.00 0.00 47.33 46.19 3ijm h GLY 36 CO -0.01 1.03 -0.67 1.41 0.00 0.00 0.00 176.54 178.30 3ijm h LEU 37 N 0.57 0.00 -0.42 3.11 3.38 -0.84 -3.38 115.31 117.73 3ijm h LEU 37 Ca -0.03 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3ijm h LEU 37 Cb 1.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 3ijm h LEU 37 CO 0.14 0.67 0.25 0.22 0.09 0.00 0.00 178.44 179.82 3ijm h TYR 38 N 0.00 0.48 -0.18 1.13 3.20 -1.35 -1.74 116.97 118.51 3ijm h TYR 38 Ca -0.01 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 3ijm h TYR 38 Cb 1.42 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 3ijm h TYR 38 CO 0.00 0.28 0.09 -1.35 -1.64 0.00 0.00 178.16 175.55 3ijm h PRO 39 N 0.52 0.24 -0.73 1.82 0.11 -1.75 -0.34 132.00 131.86 3ijm h PRO 39 Ca 0.16 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 3ijm h PRO 39 Cb -0.01 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.02 3ijm h PRO 39 CO -0.07 0.19 0.33 -0.07 -0.21 0.00 0.00 178.00 178.16 3ijm h LEU 40 N 0.25 0.96 -0.16 2.35 3.38 -1.54 -0.44 115.31 120.10 3ijm h LEU 40 Ca 0.07 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3ijm h LEU 40 Cb 0.02 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3ijm h LEU 40 CO -0.01 0.83 -0.04 0.22 0.09 0.00 0.00 178.44 179.52 3ijm h TYR 41 N 1.04 0.35 -0.06 1.13 3.20 -1.01 0.14 116.97 121.77 3ijm h TYR 41 Ca 0.25 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 3ijm h TYR 41 Cb 0.14 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3ijm h TYR 41 CO 0.01 0.59 -0.30 1.96 -1.64 0.00 0.00 178.16 178.78 3ijm h GLN 42 N 0.01 0.10 -0.01 1.82 4.20 -0.97 -1.47 115.11 118.79 3ijm h GLN 42 Ca 0.04 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ijm h GLN 42 Cb 0.48 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3ijm h GLN 42 CO 0.02 0.40 -0.03 -1.13 -0.67 0.00 0.00 178.83 177.42 3ijm n SER 43 N -4.15 1.13 -0.57 1.46 3.41 -0.19 -4.93 113.62 109.79 3ijm n SER 43 Ca -0.02 -1.29 -0.07 0.00 -0.26 0.00 0.00 58.87 57.23 3ijm n SER 43 Cb 0.37 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 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 -0.18 -0.63 0.08 4.33 4.76 -0.55 -4.90 118.16 121.07 3ijm n LYS 44 Ca 0.19 0.72 -0.06 0.00 -2.87 0.00 0.00 58.31 56.29 3ijm n LYS 44 Cb 0.31 -4.55 0.08 0.00 -1.84 0.00 0.00 35.03 29.02 3ijm n LYS 44 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3ijm h LYS 45 N 0.08 0.25 -6.23 1.97 1.79 -0.96 -3.43 116.57 110.04 3ijm h LYS 45 Ca -0.15 -0.19 -0.60 0.00 -2.18 0.00 0.00 60.65 57.52 3ijm h LYS 45 Cb 0.54 0.04 -0.26 0.00 -1.58 0.00 0.00 32.23 30.97 3ijm h LYS 45 CO 0.22 0.84 -0.85 0.96 -1.08 0.00 0.00 179.45 179.54 3ijm s ILE 46 N -3.60 1.77 -1.43 1.86 -4.36 -0.90 -4.99 121.20 109.55 3ijm s ILE 46 Ca -0.04 -1.26 0.27 0.00 -0.26 0.00 0.00 60.65 59.36 3ijm s ILE 46 Cb 0.11 -1.54 0.26 0.00 1.25 0.00 0.00 42.46 42.55 3ijm s ILE 46 CO 0.81 0.22 1.67 -0.81 0.24 0.00 0.00 174.94 177.08 3ijm n PRO 47 N 1.79 0.46 -4.68 0.37 -0.04 -1.26 -4.25 135.00 127.39 3ijm n PRO 47 Ca -0.17 -0.21 -0.34 0.00 -0.04 0.00 0.00 63.50 62.74 3ijm n PRO 47 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.68 2.88 -0.11 0.54 0.08 -1.26 -4.81 117.98 112.62 3ijm s PHE 48 Ca 0.21 -0.07 -0.28 0.00 0.12 0.00 0.00 56.93 56.91 3ijm s PHE 48 Cb 0.19 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.91 3ijm s PHE 48 CO 0.55 0.25 0.95 -2.00 -0.10 0.00 0.00 175.22 174.87 3ijm s GLU 49 N -0.66 4.40 0.00 0.44 2.12 -0.27 -4.68 118.70 120.05 3ijm s GLU 49 Ca 0.10 1.28 -0.30 0.00 0.36 0.00 0.00 54.97 56.41 3ijm s GLU 49 Cb -0.11 -3.54 -0.06 0.00 0.26 0.00 0.00 34.13 30.68 3ijm s GLU 49 CO 0.02 -0.28 1.41 -2.14 -0.54 0.00 0.00 175.26 173.73 3ijm s PRO 50 N 1.92 4.28 -0.07 4.30 0.02 -1.26 -0.97 135.00 143.22 3ijm s PRO 50 Ca 0.46 1.98 0.01 0.00 0.02 0.00 0.00 61.00 63.47 3ijm s PRO 50 Cb -0.18 -3.58 0.02 0.00 0.02 0.00 0.00 34.50 30.78 3ijm s PRO 50 CO 0.17 -0.59 -0.08 -0.51 -0.33 0.00 0.00 177.00 175.66 3ijm s LEU 51 N 2.43 1.37 0.29 -5.54 1.43 0.09 -4.98 118.68 113.78 3ijm s LEU 51 Ca 0.64 -0.24 -0.22 0.00 -1.03 0.00 0.00 54.13 53.28 3ijm s LEU 51 Cb -0.32 -0.71 -0.09 0.00 0.03 0.00 0.00 46.19 45.11 3ijm s LEU 51 CO 0.27 -0.04 0.84 -2.16 0.23 0.00 0.00 176.35 175.48 3ijm s PRO 52 N 1.08 4.37 -1.34 1.29 0.04 -1.26 -1.01 135.00 138.18 3ijm s PRO 52 Ca -0.07 1.07 -0.14 0.00 0.04 0.00 0.00 61.00 61.90 3ijm s PRO 52 Cb -0.14 -2.76 0.01 0.00 0.04 0.00 0.00 34.50 31.65 3ijm s PRO 52 CO -0.01 0.29 0.46 0.39 0.04 0.00 0.00 177.00 178.18 3ijm n GLU 53 N 0.46 -1.49 0.00 4.56 1.02 -0.09 -4.96 120.64 120.15 3ijm n GLU 53 Ca 0.01 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 3ijm n GLU 53 Cb 0.51 -3.68 0.00 0.00 -0.02 0.00 0.00 31.44 28.25 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 -4.58 0.00 0.00 2.62 -1.04 -1.23 -4.95 114.28 105.09 3ijm n THR 54 Ca -0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 3ijm n THR 54 Cb 0.64 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 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 0.26 -4.16 -4.42 4.77 -0.72 -3.86 117.00 108.88 3ijm n LEU 56 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 3ijm n LEU 56 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3ijm n LEU 56 CO 0.00 0.04 -0.01 0.42 -1.33 0.00 0.00 177.39 176.52 3ijm s THR 57 N -1.71 0.00 -2.10 -5.08 -4.23 -1.26 -5.04 115.64 96.22 3ijm s THR 57 Ca 0.00 -1.78 0.29 0.00 -1.18 0.00 0.00 61.69 59.03 3ijm s THR 57 Cb 0.00 -2.52 0.79 0.00 1.34 0.00 0.00 72.50 72.11 3ijm s THR 57 CO 0.00 0.00 2.06 -0.62 -0.54 0.00 0.00 174.62 175.52 3ijm n GLU 58 N -0.50 1.14 -2.03 3.99 -0.58 -1.26 -4.77 120.64 116.63 3ijm n GLU 58 Ca 0.03 -0.20 -0.37 0.00 -0.42 0.00 0.00 57.16 56.19 3ijm n GLU 58 Cb 0.63 -1.47 0.02 0.00 -0.57 0.00 0.00 31.44 30.05 3ijm n GLU 58 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3ijm s GLY 59 N -1.93 2.80 0.33 0.62 0.00 -1.26 -4.90 107.32 102.97 3ijm s GLY 59 Ca 0.43 1.08 0.11 0.00 0.00 0.00 0.00 44.72 46.35 3ijm s GLY 59 CO 0.34 1.53 1.69 0.10 0.00 0.00 0.00 173.10 176.77 3ijm h TYR 60 N 1.49 0.94 -0.67 1.90 -0.00 -2.04 -2.03 116.97 116.56 3ijm h TYR 60 Ca -0.50 0.04 0.00 0.00 -0.00 0.00 0.00 58.73 58.27 3ijm h TYR 60 Cb 1.28 -0.25 0.00 0.00 -0.00 0.00 0.00 36.73 37.76 3ijm h TYR 60 CO 0.49 -0.06 0.00 0.45 -0.00 0.00 0.00 178.16 179.04 3ijm n SER 61 N -4.98 4.30 -4.75 0.10 2.88 -1.26 -4.99 113.62 104.91 3ijm n SER 61 Ca 0.29 -2.25 -0.42 0.00 -1.33 0.00 0.00 58.87 55.16 3ijm n SER 61 Cb 0.85 -0.53 -0.01 0.00 -0.75 0.00 0.00 64.21 63.77 3ijm n SER 61 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3ijm n SER 62 N 1.31 3.67 -4.74 -3.46 2.88 -0.77 -4.96 113.62 107.55 3ijm n SER 62 Ca 0.25 1.19 -0.37 0.00 -1.33 0.00 0.00 58.87 58.60 3ijm n SER 62 Cb 0.76 -1.59 0.06 0.00 -0.75 0.00 0.00 64.21 62.69 3ijm n SER 62 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3ijm s PRO 63 N -1.29 2.73 -0.42 -1.46 0.02 -1.26 -4.84 135.00 128.47 3ijm s PRO 63 Ca 0.59 2.02 0.02 0.00 0.02 0.00 0.00 61.00 63.65 3ijm s PRO 63 Cb -0.50 -1.91 0.15 0.00 0.02 0.00 0.00 34.50 32.26 3ijm s PRO 63 CO 0.56 -1.45 0.29 0.08 -0.33 0.00 0.00 177.00 176.16 3ijm s VAL 64 N -1.44 0.71 0.57 3.83 1.01 -1.26 -1.75 120.40 122.08 3ijm s VAL 64 Ca 0.80 -2.45 -0.21 0.00 0.00 0.00 0.00 61.98 60.12 3ijm s VAL 64 Cb -0.36 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3ijm s VAL 64 CO 0.39 -1.06 1.34 -2.84 0.00 0.00 0.00 175.10 172.92 3ijm s PRO 65 N 0.33 2.98 0.19 2.72 0.02 -1.25 -4.77 135.00 135.23 3ijm s PRO 65 Ca 0.24 2.18 -0.11 0.00 0.02 0.00 0.00 61.00 63.34 3ijm s PRO 65 Cb -0.12 -2.14 0.12 0.00 0.02 0.00 0.00 34.50 32.38 3ijm s PRO 65 CO -0.08 -1.30 1.80 -0.44 -0.33 0.00 0.00 177.00 176.64 3ijm h ASP 66 N 1.20 0.87 -4.24 2.53 3.32 -1.87 -3.04 116.42 115.18 3ijm h ASP 66 Ca -0.51 -0.11 -0.23 0.00 0.02 0.00 0.00 57.03 56.20 3ijm h ASP 66 Cb 1.31 -0.22 -0.25 0.00 0.22 0.00 0.00 39.33 40.39 3ijm h ASP 66 CO 0.56 0.73 -0.72 -0.69 -1.72 0.00 0.00 179.24 177.40 3ijm s VAL 67 N -5.80 0.15 0.05 -1.35 1.01 -0.53 -0.91 120.40 113.02 3ijm s VAL 67 Ca -0.13 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 3ijm s VAL 67 Cb 0.14 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.28 3ijm s VAL 67 CO 0.79 -0.17 -0.04 -1.48 0.00 0.00 0.00 175.10 174.20 3ijm s LEU 68 N -0.63 2.45 -0.34 3.92 0.05 -0.18 -0.59 118.68 123.36 3ijm s LEU 68 Ca -0.06 -0.90 -0.06 0.00 0.05 0.00 0.00 54.13 53.16 3ijm s LEU 68 Cb -0.04 0.11 0.04 0.00 -2.05 0.00 0.00 46.19 44.25 3ijm s LEU 68 CO -0.00 -0.51 0.09 -0.76 -0.55 0.00 0.00 176.35 174.62 3ijm s LEU 69 N -2.66 4.30 -0.17 1.48 2.01 -0.11 -0.73 118.68 122.82 3ijm s LEU 69 Ca 0.04 -1.21 -0.15 0.00 0.01 0.00 0.00 54.13 52.82 3ijm s LEU 69 Cb 0.04 -1.84 -0.04 0.00 0.01 0.00 0.00 46.19 44.35 3ijm s LEU 69 CO -0.07 -0.33 0.34 -0.47 1.01 0.00 0.00 176.35 176.83 3ijm s TYR 70 N 1.37 3.44 -0.55 0.29 5.04 -0.14 -0.48 117.35 126.33 3ijm s TYR 70 Ca -0.02 0.64 -0.18 0.00 -2.44 0.00 0.00 57.07 55.07 3ijm s TYR 70 Cb -0.20 -2.42 0.10 0.00 0.35 0.00 0.00 41.96 39.80 3ijm s TYR 70 CO 0.02 0.16 0.59 0.34 -1.34 0.00 0.00 175.55 175.32 3ijm s ASP 71 N 0.66 6.19 0.44 4.32 -1.08 -0.22 -1.11 116.67 125.86 3ijm s ASP 71 Ca 0.18 -1.46 0.10 0.00 -0.52 0.00 0.00 52.55 50.85 3ijm s ASP 71 Cb -0.14 -2.25 0.97 0.00 -1.46 0.00 0.00 42.92 40.04 3ijm s ASP 71 CO 0.06 -0.94 2.06 0.45 0.52 0.00 0.00 175.17 177.32 3ijm h HIS 72 N 9.01 0.30 -0.27 -5.34 3.86 -1.87 -0.56 115.15 120.28 3ijm h HIS 72 Ca -0.29 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.84 3ijm h HIS 72 Cb 1.10 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.46 3ijm h HIS 72 CO 0.76 0.23 -0.11 1.96 0.86 0.00 0.00 177.93 181.63 3ijm h GLN 73 N 0.31 0.55 -0.01 2.45 1.08 -1.96 -3.28 115.11 114.26 3ijm h GLN 73 Ca 0.08 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 3ijm h GLN 73 Cb 0.05 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3ijm h GLN 73 CO -0.01 0.79 -0.47 0.25 -0.95 0.00 0.00 178.83 178.44 3ijm n THR 74 N -4.47 0.00 -3.31 -0.54 -2.24 -1.12 -4.96 114.28 97.64 3ijm n THR 74 Ca -0.04 -0.15 -0.23 0.00 -2.27 0.00 0.00 64.05 61.36 3ijm n THR 74 Cb 0.35 0.81 0.06 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.60 -6.33 -4.22 -0.78 1.02 -0.23 -5.01 120.64 104.48 3ijm n GLU 75 Ca 0.09 0.87 -0.17 0.00 -0.02 0.00 0.00 57.16 57.93 3ijm n GLU 75 Cb 0.39 -5.82 -0.13 0.00 -0.02 0.00 0.00 31.44 25.86 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 -6.01 0.70 -0.08 3.49 2.02 -1.17 -4.99 118.70 112.67 3ijm s GLU 76 Ca 0.44 -0.65 -0.30 0.00 0.02 0.00 0.00 54.97 54.48 3ijm s GLU 76 Cb -0.20 -0.63 -0.02 0.00 0.10 0.00 0.00 34.13 33.38 3ijm s GLU 76 CO 0.55 0.15 1.14 0.00 0.02 0.00 0.00 175.26 177.12 3ijm s ALA 77 N -0.89 3.48 -0.13 5.21 0.00 -1.25 -1.05 121.76 127.13 3ijm s ALA 77 Ca -0.02 0.53 0.16 0.00 0.00 0.00 0.00 51.96 52.63 3ijm s ALA 77 Cb -0.07 -3.50 -0.23 0.00 0.00 0.00 0.00 23.12 19.31 3ijm s ALA 77 CO 0.01 -0.74 0.39 1.63 0.00 0.00 0.00 175.76 177.04 3ijm n LYS 78 N 5.24 0.66 -4.11 0.00 4.76 0.37 -2.92 118.16 122.16 3ijm n LYS 78 Ca 0.10 0.11 -0.17 0.00 -2.87 0.00 0.00 58.31 55.48 3ijm n LYS 78 Cb 0.47 -1.65 -0.15 0.00 -1.84 0.00 0.00 35.03 31.86 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 -2.66 0.38 0.13 -0.18 1.01 -1.25 -0.75 120.40 117.09 3ijm s VAL 79 Ca -0.07 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 61.86 3ijm s VAL 79 Cb 0.08 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 3ijm s VAL 79 CO 0.83 0.14 -0.22 0.27 0.00 0.00 0.00 175.10 176.12 3ijm s ILE 80 N 0.29 1.94 -0.05 2.22 -4.36 -0.78 -0.93 121.20 119.53 3ijm s ILE 80 Ca -0.03 -1.72 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 3ijm s ILE 80 Cb -0.07 -1.78 0.02 0.00 1.25 0.00 0.00 42.46 41.88 3ijm s ILE 80 CO -0.00 -0.08 -0.04 -0.63 0.24 0.00 0.00 174.94 174.44 3ijm s ILE 81 N -1.36 0.51 -0.08 8.37 1.01 0.24 -1.04 121.20 128.86 3ijm s ILE 81 Ca 0.12 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.72 3ijm s ILE 81 Cb -0.09 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.79 3ijm s ILE 81 CO 0.06 0.24 -0.15 -1.61 0.00 0.00 0.00 174.94 173.47 3ijm s GLU 82 N 1.17 2.83 -0.20 2.79 0.41 0.11 -1.45 118.70 124.35 3ijm s GLU 82 Ca -0.07 -0.71 -0.05 0.00 -0.41 0.00 0.00 54.97 53.72 3ijm s GLU 82 Cb -0.14 -2.45 -0.03 0.00 -1.78 0.00 0.00 34.13 29.74 3ijm s GLU 82 CO -0.01 0.45 0.01 0.08 -0.49 0.00 0.00 175.26 175.29 3ijm s VAL 83 N -0.27 4.01 0.53 2.63 1.01 -1.26 -0.78 120.40 126.27 3ijm s VAL 83 Ca 0.02 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 3ijm s VAL 83 Cb -0.13 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 3ijm s VAL 83 CO 0.03 0.43 1.29 0.00 0.00 0.00 0.00 175.10 176.84 3ijm s GLN 85 N -2.91 0.13 -1.55 0.00 0.74 -1.26 -4.71 119.66 110.09 3ijm s GLN 85 Ca 0.70 -0.03 -0.09 0.00 0.05 0.00 0.00 55.36 55.99 3ijm s GLN 85 Cb -0.36 -1.52 0.07 0.00 1.10 0.00 0.00 33.01 32.31 3ijm s GLN 85 CO 0.42 -0.71 0.60 0.09 -0.55 0.00 0.00 175.29 175.14 3ijm n ASN 86 N 5.29 -1.86 -3.70 6.67 3.02 -1.26 -4.94 115.26 118.48 3ijm n ASN 86 Ca -0.06 -1.00 -0.10 0.00 -0.03 0.00 0.00 54.58 53.38 3ijm n ASN 86 Cb 0.48 -2.94 -0.06 0.00 -0.61 0.00 0.00 39.78 36.66 3ijm n ASN 86 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3ijm s SER 87 N -3.84 -0.14 0.28 6.41 1.04 -1.26 -5.16 113.70 111.03 3ijm s SER 87 Ca 0.36 -0.34 -0.23 0.00 0.48 0.00 0.00 55.95 56.22 3ijm s SER 87 Cb -0.20 0.42 -0.09 0.00 0.10 0.00 0.00 66.02 66.25 3ijm s SER 87 CO 0.91 -0.77 0.85 -0.83 0.98 0.00 0.00 173.24 174.38 3ijm s GLY 88 N -2.63 2.72 0.13 7.32 0.00 -1.26 -4.85 107.32 108.74 3ijm s GLY 88 Ca 0.01 0.37 -0.16 0.00 0.00 0.00 0.00 44.72 44.94 3ijm s GLY 88 CO -0.10 0.77 1.70 -2.00 0.00 0.00 0.00 173.10 173.48 3ijm h LEU 89 N 3.25 0.50 -0.18 0.66 5.85 -1.99 -1.94 115.31 121.46 3ijm h LEU 89 Ca -0.47 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.06 3ijm h LEU 89 Cb 1.19 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 3ijm h LEU 89 CO 0.65 0.49 -0.10 0.11 -0.34 0.00 0.00 178.44 179.25 3ijm h LYS 90 N 0.47 0.38 -0.16 1.25 1.57 -1.99 -2.02 116.57 116.07 3ijm h LYS 90 Ca 0.13 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3ijm h LYS 90 Cb 0.13 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3ijm h LYS 90 CO -0.01 0.70 -0.05 0.45 -0.57 0.00 0.00 179.45 179.96 3ijm h HIS 91 N 0.06 -0.12 0.00 -1.35 3.86 -1.96 -2.00 115.15 113.64 3ijm h HIS 91 Ca 0.04 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 3ijm h HIS 91 Cb 0.59 0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 3ijm h HIS 91 CO 0.07 -0.09 -0.34 -0.44 0.86 0.00 0.00 177.93 177.99 3ijm h ASP 92 N -0.02 0.00 -0.41 2.45 3.32 -1.35 -2.48 116.42 117.93 3ijm h ASP 92 Ca 0.08 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 3ijm h ASP 92 Cb 0.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3ijm h ASP 92 CO -0.18 0.34 -0.33 0.74 -1.72 0.00 0.00 179.24 178.10 3ijm h THR 93 N 0.00 1.27 -0.26 0.35 2.02 -1.00 -2.69 112.91 112.60 3ijm h THR 93 Ca -0.00 -1.50 -0.00 0.00 0.77 0.00 0.00 66.41 65.68 3ijm h THR 93 Cb 0.73 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 3ijm h THR 93 CO 0.04 0.51 0.16 0.28 0.37 0.00 0.00 175.52 176.88 3ijm h SER 94 N 0.78 0.31 -0.18 4.18 0.02 -0.90 -1.65 113.55 116.10 3ijm h SER 94 Ca 0.08 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3ijm h SER 94 Cb 0.92 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 3ijm h SER 94 CO 0.09 0.24 -0.05 0.11 -1.14 0.00 0.00 176.83 176.07 3ijm h LYS 95 N 0.36 0.36 -0.22 3.45 1.57 -1.44 -3.09 116.57 117.56 3ijm h LYS 95 Ca 0.10 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3ijm h LYS 95 Cb -0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3ijm h LYS 95 CO -0.02 0.63 -0.12 -0.84 -0.57 0.00 0.00 179.45 178.53 3ijm h ILE 96 N 0.07 1.20 -0.65 1.86 3.07 -1.08 -2.71 117.51 119.28 3ijm h ILE 96 Ca 0.05 -0.87 -0.01 0.00 1.55 0.00 0.00 64.86 65.57 3ijm h ILE 96 Cb 0.50 1.17 -0.03 0.00 -0.27 0.00 0.00 36.82 38.19 3ijm h ILE 96 CO 0.02 0.28 0.38 0.58 -1.05 0.00 0.00 178.15 178.36 3ijm h VAL 97 N 0.33 1.19 -0.52 0.16 2.07 -1.32 -1.59 116.25 116.57 3ijm h VAL 97 Ca 0.07 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 3ijm h VAL 97 Cb 0.41 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3ijm h VAL 97 CO 0.02 0.20 -0.01 0.50 0.02 0.00 0.00 177.57 178.30 3ijm h LYS 98 N 0.88 0.92 -0.90 1.57 3.64 -1.42 0.62 116.57 121.87 3ijm h LYS 98 Ca 0.23 -0.30 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 3ijm h LYS 98 Cb -0.01 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.68 3ijm h LYS 98 CO -0.04 0.95 0.59 1.25 -2.27 0.00 0.00 179.45 179.93 3ijm h LEU 99 N 0.79 0.91 0.03 5.20 5.85 -1.28 -0.24 115.31 126.56 3ijm h LEU 99 Ca 0.14 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 3ijm h LEU 99 Cb 0.54 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.39 3ijm h LEU 99 CO 0.03 0.58 -0.24 0.40 -0.34 0.00 0.00 178.44 178.87 3ijm h ILE 100 N 1.03 1.65 0.00 4.05 2.04 -0.90 -3.35 117.51 122.03 3ijm h ILE 100 Ca 0.39 -2.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.00 3ijm h ILE 100 Cb 0.19 3.13 -0.00 0.00 -0.74 0.00 0.00 36.82 39.40 3ijm h ILE 100 CO -0.14 0.60 -0.11 -0.33 0.00 0.00 0.00 178.15 178.17 3ijm h GLU 101 N -0.70 0.00 0.00 2.37 4.39 -0.75 -2.39 114.58 117.49 3ijm h GLU 101 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3ijm h GLU 101 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 3ijm h GLU 101 CO 0.05 0.11 0.00 -0.25 -1.16 0.00 0.00 179.01 177.75 3ijm n ASP 102 N -3.19 0.08 -1.08 1.42 8.00 -0.11 -4.91 116.55 116.75 3ijm n ASP 102 Ca 0.01 0.52 -0.14 0.00 0.71 0.00 0.00 54.79 55.89 3ijm n ASP 102 Cb 0.43 -0.53 -0.06 0.00 -0.02 0.00 0.00 41.12 40.93 3ijm n ASP 102 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ijm n ASN 103 N -1.59 -5.03 0.12 -2.24 3.02 -0.90 -4.89 115.26 103.76 3ijm n ASN 103 Ca 0.04 0.35 -0.01 0.00 -0.03 0.00 0.00 54.58 54.93 3ijm n ASN 103 Cb 0.23 -3.77 0.10 0.00 -0.61 0.00 0.00 39.78 35.72 3ijm n ASN 103 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ijm h ALA 104 N 0.00 0.75 -0.00 5.41 0.00 -1.84 -3.38 119.26 120.20 3ijm h ALA 104 Ca -0.29 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3ijm h ALA 104 Cb 1.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3ijm h ALA 104 CO 0.42 0.84 -0.03 0.66 0.00 0.00 0.00 179.25 181.14 3ijm n TYR 105 N -3.54 0.00 -1.01 0.00 4.01 -1.26 -5.00 117.16 110.35 3ijm n TYR 105 Ca -0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3ijm n TYR 105 Cb 0.71 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.74 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 0.47 0.47 3.67 2.72 0.00 -1.26 -3.78 105.19 107.49 3ijm n GLY 106 Ca 0.01 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.98 4.21 -0.11 -0.61 1.01 -1.15 -4.48 121.20 118.10 3ijm s ILE 107 Ca 0.00 1.50 0.16 0.00 0.00 0.00 0.00 60.65 62.31 3ijm s ILE 107 Cb 0.00 -3.97 -0.17 0.00 0.01 0.00 0.00 42.46 38.34 3ijm s ILE 107 CO 0.00 -0.07 0.74 0.18 0.00 0.00 0.00 174.94 175.78 3ijm n LEU 108 N 6.00 0.79 -3.72 2.97 4.77 0.07 -4.78 117.00 123.10 3ijm n LEU 108 Ca 0.13 0.36 -0.13 0.00 -0.03 0.00 0.00 56.01 56.33 3ijm n LEU 108 Cb 0.45 0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.56 3ijm n LEU 108 CO 0.56 0.22 0.11 -0.70 -1.33 0.00 0.00 177.39 176.25 3ijm s GLU 109 N -2.84 0.54 0.04 3.23 2.12 -1.14 -1.50 118.70 119.15 3ijm s GLU 109 Ca -0.04 0.52 0.01 0.00 0.36 0.00 0.00 54.97 55.82 3ijm s GLU 109 Cb 0.08 0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.71 3ijm s GLU 109 CO 0.82 -0.08 -0.06 0.20 -0.54 0.00 0.00 175.26 175.60 3ijm s GLY 110 N 0.03 0.44 0.06 -1.50 0.00 0.41 -1.86 107.32 104.89 3ijm s GLY 110 Ca -0.02 -0.80 0.05 0.00 0.00 0.00 0.00 44.72 43.95 3ijm s GLY 110 CO 0.01 -0.87 -0.14 -1.36 0.00 0.00 0.00 173.10 170.75 3ijm s PHE 111 N -1.85 1.17 -0.07 1.90 0.40 -0.20 -0.31 117.98 119.03 3ijm s PHE 111 Ca -0.08 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 55.85 3ijm s PHE 111 Cb -0.07 -0.67 0.01 0.00 0.51 0.00 0.00 43.02 42.80 3ijm s PHE 111 CO -0.01 0.04 -0.14 0.08 0.70 0.00 0.00 175.22 175.89 3ijm s VAL 112 N -1.14 1.26 -0.14 -0.44 1.01 0.24 -0.71 120.40 120.49 3ijm s VAL 112 Ca -0.01 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3ijm s VAL 112 Cb -0.09 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.16 3ijm s VAL 112 CO 0.02 0.38 -0.21 0.12 0.00 0.00 0.00 175.10 175.41 3ijm s PHE 113 N 0.63 2.54 -0.45 5.22 5.36 0.04 -0.81 117.98 130.51 3ijm s PHE 113 Ca -0.15 -1.28 -0.17 0.00 -0.96 0.00 0.00 56.93 54.37 3ijm s PHE 113 Cb -0.16 -1.75 0.04 0.00 -0.34 0.00 0.00 43.02 40.81 3ijm s PHE 113 CO 0.04 -0.59 0.48 1.21 -1.46 0.00 0.00 175.22 174.89 3ijm s ASN 114 N 0.86 6.19 0.30 6.13 3.84 -0.29 -0.89 114.94 131.09 3ijm s ASN 114 Ca -0.07 -0.84 0.26 0.00 0.21 0.00 0.00 52.86 52.42 3ijm s ASN 114 Cb -0.15 -2.23 0.97 0.00 -0.55 0.00 0.00 41.25 39.29 3ijm s ASN 114 CO -0.02 -0.67 1.76 0.10 -2.79 0.00 0.00 177.10 175.48 3ijm h TYR 115 N 8.80 0.00 -0.21 0.43 -0.00 -1.86 0.15 116.97 124.28 3ijm h TYR 115 Ca -0.27 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.26 3ijm h TYR 115 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.84 3ijm h TYR 115 CO 0.65 0.00 -0.66 0.87 -0.00 0.00 0.00 178.16 179.02 3ijm h LYS 116 N 0.00 0.79 -0.01 0.10 1.57 -1.94 -3.30 116.57 113.77 3ijm h LYS 116 Ca 0.00 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 3ijm h LYS 116 Cb 0.50 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3ijm h LYS 116 CO 0.00 1.19 -0.47 0.25 -0.57 0.00 0.00 179.45 179.85 3ijm n THR 117 N -3.96 0.00 -3.75 -0.16 -2.24 -1.17 -4.99 114.28 98.01 3ijm n THR 117 Ca -0.06 -0.26 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 3ijm n THR 117 Cb 0.69 1.12 0.01 0.00 -2.10 0.00 0.00 70.33 70.04 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 -0.56 -4.32 -3.90 -0.78 3.00 0.50 -4.99 117.38 106.33 3ijm n GLN 118 Ca 0.05 0.53 -0.33 0.00 -0.01 0.00 0.00 57.00 57.24 3ijm n GLN 118 Cb 0.30 -5.33 -0.05 0.00 0.00 0.00 0.00 30.24 25.17 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 -6.44 3.45 0.04 -1.09 -1.52 -1.02 -4.91 119.66 108.16 3ijm s GLN 119 Ca 0.58 -0.34 0.08 0.00 -1.95 0.00 0.00 55.36 53.73 3ijm s GLN 119 Cb -0.30 -3.08 -0.03 0.00 -0.22 0.00 0.00 33.01 29.38 3ijm s GLN 119 CO 0.72 0.65 -0.23 -1.58 -0.25 0.00 0.00 175.29 174.60 3ijm s TRP 120 N -1.38 2.01 0.08 0.91 0.52 -1.26 -1.14 118.94 118.69 3ijm s TRP 120 Ca 0.29 -0.39 0.09 0.00 0.02 0.00 0.00 56.10 56.11 3ijm s TRP 120 Cb -0.13 -1.21 -0.03 0.00 -1.15 0.00 0.00 33.47 30.95 3ijm s TRP 120 CO 0.21 0.10 -0.23 -0.51 0.02 0.00 0.00 176.95 176.54 3ijm s LEU 121 N -1.15 2.24 0.02 2.99 1.43 0.01 -3.66 118.68 120.56 3ijm s LEU 121 Ca 0.09 -0.63 0.07 0.00 -1.03 0.00 0.00 54.13 52.63 3ijm s LEU 121 Cb -0.09 -1.03 -0.02 0.00 0.03 0.00 0.00 46.19 45.08 3ijm s LEU 121 CO 0.02 0.14 -0.22 -0.60 0.23 0.00 0.00 176.35 175.92 3ijm s ARG 122 N -1.61 1.57 -0.04 1.70 3.52 0.46 -0.59 118.95 123.96 3ijm s ARG 122 Ca 0.09 -0.88 0.04 0.00 -0.13 0.00 0.00 55.73 54.84 3ijm s ARG 122 Cb -0.10 -1.62 -0.00 0.00 -1.56 0.00 0.00 34.95 31.67 3ijm s ARG 122 CO 0.03 0.43 -0.14 -0.47 -0.81 0.00 0.00 175.30 174.34 3ijm s TYR 123 N -0.68 1.41 -0.13 5.12 5.04 0.58 -1.31 117.35 127.39 3ijm s TYR 123 Ca 0.08 -0.39 -0.01 0.00 -2.44 0.00 0.00 57.07 54.32 3ijm s TYR 123 Cb -0.09 -0.97 -0.02 0.00 0.35 0.00 0.00 41.96 41.24 3ijm s TYR 123 CO 0.01 -0.14 -0.11 1.03 -1.34 0.00 0.00 175.55 174.99 3ijm s ARG 124 N 0.11 3.41 0.03 4.97 0.52 -1.26 -0.45 118.95 126.27 3ijm s ARG 124 Ca -0.04 -0.66 -0.38 0.00 -0.52 0.00 0.00 55.73 54.14 3ijm s ARG 124 Cb -0.10 -2.67 -0.18 0.00 0.52 0.00 0.00 34.95 32.52 3ijm s ARG 124 CO 0.01 0.24 1.28 -0.11 0.02 0.00 0.00 175.30 176.75 3ijm n LEU 125 N 3.47 1.17 0.00 2.53 7.94 -0.56 -1.75 117.00 129.80 3ijm n LEU 125 Ca -0.18 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 3ijm n LEU 125 Cb 0.53 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 43.38 3ijm n LEU 125 CO 0.31 -1.27 0.00 0.61 -1.11 0.00 0.00 177.39 175.92 3ijm n GLY 126 N 2.33 0.59 1.47 -3.96 0.00 -1.26 -4.96 105.19 99.40 3ijm n GLY 126 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 4.01 -1.35 1.61 9.92 -0.71 -4.90 116.55 125.12 3ijm n ASP 127 Ca 0.00 -2.67 -0.15 0.00 -0.53 0.00 0.00 54.79 51.44 3ijm n ASP 127 Cb 0.00 -0.64 -0.04 0.00 -0.64 0.00 0.00 41.12 39.80 3ijm n ASP 127 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ijm n GLY 128 N 0.27 0.92 2.43 0.44 0.00 -1.26 -2.43 105.19 105.56 3ijm n GLY 128 Ca 0.21 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.09 0.82 3.61 -0.02 0.00 -1.26 -5.02 105.19 102.23 3ijm n GLY 129 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.21 5.30 0.47 1.61 1.01 -1.02 -5.05 120.40 119.52 3ijm s VAL 130 Ca 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 3ijm s VAL 130 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 3ijm s VAL 130 CO 0.00 0.26 0.77 0.00 0.00 0.00 0.00 175.10 176.13 3ijm s ALA 131 N 1.60 3.43 0.22 5.51 0.00 -1.26 -4.79 121.76 126.46 3ijm s ALA 131 Ca 0.09 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.51 3ijm s ALA 131 Cb -0.15 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.37 3ijm s ALA 131 CO 0.09 -0.34 0.07 0.95 0.00 0.00 0.00 175.76 176.53 3ijm s THR 132 N -2.71 0.53 -0.91 0.00 -4.23 -0.43 -4.96 115.64 102.93 3ijm s THR 132 Ca 0.47 -1.99 -0.22 0.00 -1.18 0.00 0.00 61.69 58.77 3ijm s THR 132 Cb -0.10 -2.43 0.07 0.00 1.34 0.00 0.00 72.50 71.38 3ijm s THR 132 CO 0.44 -0.18 1.28 0.21 -0.54 0.00 0.00 174.62 175.83 3ijm s ASN 133 N -3.24 6.45 -0.07 3.99 2.47 -1.26 -0.40 114.94 122.88 3ijm s ASN 133 Ca 0.33 -1.42 -0.15 0.00 0.42 0.00 0.00 52.86 52.03 3ijm s ASN 133 Cb 0.07 -2.50 0.03 0.00 -1.45 0.00 0.00 41.25 37.40 3ijm s ASN 133 CO 0.10 -1.42 0.36 -0.55 -3.72 0.00 0.00 177.10 171.87 3ijm s SER 134 N 4.28 -0.31 0.00 -4.21 0.15 -1.24 -4.96 113.70 107.41 3ijm s SER 134 Ca 0.38 0.41 0.10 0.00 0.70 0.00 0.00 55.95 57.54 3ijm s SER 134 Cb -0.04 0.52 0.21 0.00 -1.71 0.00 0.00 66.02 65.00 3ijm s SER 134 CO -0.04 -0.33 1.09 -1.54 1.20 0.00 0.00 173.24 173.62 3ijm n SER 135 N 1.92 2.49 -4.63 5.45 3.41 -1.26 -3.66 113.62 117.35 3ijm n SER 135 Ca -0.18 -1.80 -0.40 0.00 -0.26 0.00 0.00 58.87 56.23 3ijm n SER 135 Cb 0.57 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.94 3.28 -0.38 7.33 5.36 -1.26 -1.14 117.98 130.23 3ijm s PHE 136 Ca 0.18 0.68 -0.25 0.00 -0.96 0.00 0.00 56.93 56.58 3ijm s PHE 136 Cb 0.10 -2.73 0.01 0.00 -0.34 0.00 0.00 43.02 40.06 3ijm s PHE 136 CO 0.14 -0.26 0.89 0.45 -1.46 0.00 0.00 175.22 174.97 3ijm s SER 137 N 1.47 6.62 0.19 6.13 0.15 -0.26 -4.93 113.70 123.07 3ijm s SER 137 Ca 0.22 0.47 -0.07 0.00 0.70 0.00 0.00 55.95 57.27 3ijm s SER 137 Cb -0.16 -2.44 0.10 0.00 -1.71 0.00 0.00 66.02 61.81 3ijm s SER 137 CO 0.09 -0.84 1.59 -0.33 1.20 0.00 0.00 173.24 174.94 3ijm h GLU 138 N 8.54 0.88 -0.28 5.44 5.08 -1.96 0.46 114.58 132.74 3ijm h GLU 138 Ca -0.24 -0.37 0.04 0.00 -1.00 0.00 0.00 59.36 57.79 3ijm h GLU 138 Cb 1.08 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 3ijm h GLU 138 CO 0.97 1.02 0.06 0.28 -1.00 0.00 0.00 179.01 180.33 3ijm h VAL 139 N 0.76 0.86 0.00 3.13 2.07 -1.97 -3.04 116.25 118.06 3ijm h VAL 139 Ca 0.10 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3ijm h VAL 139 Cb 0.78 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3ijm h VAL 139 CO 0.06 0.03 -0.98 0.18 0.02 0.00 0.00 177.57 176.88 3ijm n LEU 140 N -5.09 0.67 -3.62 2.57 4.77 -1.20 -4.97 117.00 110.13 3ijm n LEU 140 Ca -0.00 0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 55.91 3ijm n LEU 140 Cb 0.12 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 3ijm n LEU 140 CO 0.26 -0.06 0.16 0.00 -1.33 0.00 0.00 177.39 176.42 3ijm n GLN 141 N -2.25 -6.95 -4.18 3.23 1.13 0.16 -4.94 117.38 103.58 3ijm n GLN 141 Ca 0.01 0.78 -0.16 0.00 -1.94 0.00 0.00 57.00 55.69 3ijm n GLN 141 Cb 0.48 -5.75 -0.13 0.00 0.11 0.00 0.00 30.24 24.95 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 -3.36 0.58 -0.43 5.09 1.01 -1.02 -4.98 120.40 117.29 3ijm s VAL 142 Ca 0.39 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.47 3ijm s VAL 142 Cb -0.18 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.68 3ijm s VAL 142 CO 0.75 -0.05 1.06 -0.62 0.00 0.00 0.00 175.10 176.24 3ijm s ASP 143 N -0.74 6.67 0.46 3.32 2.15 -1.26 -1.10 116.67 126.17 3ijm s ASP 143 Ca -0.02 0.54 0.25 0.00 0.43 0.00 0.00 52.55 53.74 3ijm s ASP 143 Cb -0.06 -2.52 1.09 0.00 -0.30 0.00 0.00 42.92 41.13 3ijm s ASP 143 CO 0.00 -1.09 1.91 -0.07 -0.17 0.00 0.00 175.17 175.75 3ijm h LEU 144 N 10.72 0.00 -2.58 -1.34 3.38 -1.52 -2.43 115.31 121.54 3ijm h LEU 144 Ca -0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3ijm h LEU 144 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3ijm h LEU 144 CO 1.07 0.20 -0.01 -1.13 0.09 0.00 0.00 178.44 178.67 3ijm h ASN 145 N 0.00 0.00 0.41 -0.43 -1.24 -1.92 -2.73 115.58 109.67 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 0.61 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.66 3ijm h ASN 145 CO 0.03 0.01 0.00 0.71 -1.29 0.00 0.00 177.43 176.88 3ijm h THR 146 N 0.00 0.00 0.00 -3.57 1.35 -1.82 -3.07 112.91 105.80 3ijm h THR 146 Ca -0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3ijm h THR 146 Cb 0.13 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3ijm h THR 146 CO 0.00 0.00 -1.16 0.49 -0.25 0.00 0.00 175.52 174.60 3ijm n PHE 147 N -2.84 0.25 1.05 4.73 3.72 -1.03 -5.16 117.46 118.19 3ijm n PHE 147 Ca -0.01 0.07 0.12 0.00 -0.05 0.00 0.00 57.45 57.59 3ijm n PHE 147 Cb 0.16 -0.44 0.15 0.00 -0.94 0.00 0.00 39.48 38.40 3ijm n PHE 147 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04