#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dju s ASP 8 N 0.00 1.45 0.00 3.42 -4.77 -1.26 -4.90 116.67 110.61 3dju s ASP 8 Ca 0.00 1.21 0.25 0.00 -3.30 0.00 0.00 52.55 50.72 3dju s ASP 8 Cb 0.00 -1.88 0.54 0.00 -1.09 0.00 0.00 42.92 40.50 3dju s ASP 8 CO 0.00 -3.86 1.44 1.15 0.70 0.00 0.00 175.17 174.60 3dju n MET 9 N -4.66 1.35 -0.01 2.11 -0.00 -1.26 -4.47 117.12 110.18 3dju n MET 9 Ca 0.05 -0.95 -0.11 0.00 -0.00 0.00 0.00 57.70 56.69 3dju n MET 9 Cb 0.57 -1.48 -0.05 0.00 -0.00 0.00 0.00 33.22 32.26 3dju n MET 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3dju h LEU 10 N 2.33 0.12 -0.37 3.17 6.46 -1.99 -2.45 115.31 122.59 3dju h LEU 10 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3dju h LEU 10 Cb 0.65 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 3dju h LEU 10 CO 0.00 0.09 0.24 -0.65 -0.62 0.00 0.00 178.44 177.50 3dju h PRO 11 N 0.16 0.49 -0.32 5.25 0.11 -1.99 0.25 132.00 135.95 3dju h PRO 11 Ca 0.05 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.14 3dju h PRO 11 Cb -0.01 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 3dju h PRO 11 CO -0.02 0.33 0.18 0.93 -0.21 0.00 0.00 178.00 179.21 3dju h GLU 12 N 0.49 0.36 -0.07 1.05 3.07 -1.86 -0.68 114.58 116.94 3dju h GLU 12 Ca 0.13 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 3dju h GLU 12 Cb -0.04 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 27.79 3dju h GLU 12 CO -0.03 0.24 0.02 0.82 -1.40 0.00 0.00 179.01 178.66 3dju h ILE 13 N 0.37 1.19 -0.74 3.13 2.04 -1.00 -1.32 117.51 121.18 3dju h ILE 13 Ca 0.13 -0.56 0.07 0.00 1.00 0.00 0.00 64.86 65.49 3dju h ILE 13 Cb 0.01 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 3dju h ILE 13 CO -0.07 0.16 0.48 0.00 0.00 0.00 0.00 178.15 178.72 3dju h ALA 14 N 0.81 1.71 0.05 1.87 0.00 -0.48 0.63 119.26 123.85 3dju h ALA 14 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dju h ALA 14 Cb 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3dju h ALA 14 CO -0.00 0.17 -0.02 0.00 0.00 0.00 0.00 179.25 179.40 3dju h ALA 15 N 1.60 -0.07 -0.24 0.00 0.00 -0.80 0.52 119.26 120.28 3dju h ALA 15 Ca 0.32 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3dju h ALA 15 Cb 0.28 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 3dju h ALA 15 CO -0.11 -0.42 -0.34 0.00 0.00 0.00 0.00 179.25 178.38 3dju h ALA 16 N 0.64 -0.34 -0.92 0.00 0.00 -0.74 -0.39 119.26 117.50 3dju h ALA 16 Ca -0.01 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3dju h ALA 16 Cb 0.27 0.68 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3dju h ALA 16 CO 0.01 -0.80 0.61 0.28 0.00 0.00 0.00 179.25 179.35 3dju h VAL 17 N -0.36 1.18 -0.31 0.00 2.07 -0.87 -2.11 116.25 115.86 3dju h VAL 17 Ca 0.12 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 3dju h VAL 17 Cb 0.56 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3dju h VAL 17 CO -0.43 0.22 -0.18 1.23 0.02 0.00 0.00 177.57 178.43 3dju h GLY 18 N 1.18 0.60 0.91 2.17 0.00 -0.14 0.11 103.07 107.90 3dju h GLY 18 Ca 0.36 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 3dju h GLY 18 CO -0.10 0.42 0.05 -2.75 0.00 0.00 0.00 176.54 174.15 3dju h PHE 19 N 0.50 0.13 -0.41 5.60 3.57 -0.46 -0.50 116.94 125.37 3dju h PHE 19 Ca 0.08 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.45 3dju h PHE 19 Cb 0.59 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3dju h PHE 19 CO 0.02 0.19 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.97 3dju h LEU 20 N 0.04 0.88 -0.04 0.59 3.38 -1.18 -2.67 115.31 116.31 3dju h LEU 20 Ca 0.03 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3dju h LEU 20 Cb 0.10 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3dju h LEU 20 CO -0.00 1.08 0.02 0.28 0.09 0.00 0.00 178.44 179.91 3dju h SER 21 N 0.74 0.05 -0.94 -0.43 0.02 -0.74 -2.55 113.55 109.70 3dju h SER 21 Ca 0.09 -0.04 0.15 0.00 -0.84 0.00 0.00 61.79 61.15 3dju h SER 21 Cb 0.79 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.24 3dju h SER 21 CO 0.07 0.07 0.60 0.77 -1.14 0.00 0.00 176.83 177.19 3dju h SER 22 N 0.02 0.73 -0.43 3.07 4.64 -0.99 0.75 113.55 121.32 3dju h SER 22 Ca 0.01 0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.28 3dju h SER 22 Cb 0.03 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 3dju h SER 22 CO -0.00 0.35 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.14 3dju h LEU 23 N 0.76 0.89 -0.50 5.97 3.38 -1.22 0.12 115.31 124.70 3dju h LEU 23 Ca 0.48 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 3dju h LEU 23 Cb 0.71 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3dju h LEU 23 CO -0.24 1.01 0.03 -0.07 0.09 0.00 0.00 178.44 179.26 3dju h LEU 24 N 0.80 0.85 -0.52 1.67 4.07 -0.62 -1.10 115.31 120.46 3dju h LEU 24 Ca 0.13 -0.29 -0.06 0.00 0.08 0.00 0.00 57.88 57.74 3dju h LEU 24 Cb 0.63 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 3dju h LEU 24 CO 0.04 0.93 0.08 -0.09 -1.08 0.00 0.00 178.44 178.32 3dju h ARG 25 N 0.74 0.86 -0.00 1.13 2.43 -0.76 -0.18 114.38 118.60 3dju h ARG 25 Ca 0.15 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3dju h ARG 25 Cb 0.48 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3dju h ARG 25 CO 0.02 0.85 -0.04 1.15 -1.51 0.00 0.00 179.97 180.45 3dju h THR 26 N 0.74 1.59 0.00 0.20 2.02 -0.93 -3.34 112.91 113.18 3dju h THR 26 Ca 0.16 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.56 3dju h THR 26 Cb 0.41 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 3dju h THR 26 CO 0.01 0.46 -0.81 0.54 0.37 0.00 0.00 175.52 176.10 3dju n ARG 27 N -4.70 0.14 -1.60 6.66 1.74 -0.42 -4.96 116.66 113.52 3dju n ARG 27 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3dju n ARG 27 Cb 0.38 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3dju n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dju n GLY 28 N 1.43 3.35 2.37 -0.13 0.00 -0.08 -4.96 105.19 107.18 3dju n GLY 28 Ca 0.04 -2.18 -0.26 0.00 0.00 0.00 0.00 46.02 43.62 3dju n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dju s VAL 30 N -1.53 2.61 0.66 0.00 1.01 -1.26 -5.11 120.40 116.77 3dju s VAL 30 Ca 0.35 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 3dju s VAL 30 Cb 0.12 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 3dju s VAL 30 CO -0.09 0.54 1.27 -0.94 0.00 0.00 0.00 175.10 175.87 3dju s SER 31 N 0.43 4.57 0.47 3.32 1.04 -1.26 -4.84 113.70 117.43 3dju s SER 31 Ca -0.13 2.55 0.13 0.00 0.48 0.00 0.00 55.95 58.98 3dju s SER 31 Cb -0.17 -2.61 1.07 0.00 0.10 0.00 0.00 66.02 64.42 3dju s SER 31 CO 0.06 -2.02 2.08 -0.33 0.98 0.00 0.00 173.24 174.00 3dju h GLU 32 N 0.41 0.17 -0.62 4.02 4.39 -1.99 -1.20 114.58 119.75 3dju h GLU 32 Ca -0.50 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.25 3dju h GLU 32 Cb 1.32 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.88 3dju h GLU 32 CO 0.53 0.16 0.31 0.37 -1.16 0.00 0.00 179.01 179.21 3dju h GLN 33 N 0.17 0.55 -0.15 2.33 -0.00 -1.99 0.10 115.11 116.11 3dju h GLN 33 Ca 0.04 -0.03 -0.15 0.00 -0.00 0.00 0.00 58.65 58.51 3dju h GLN 33 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 27.43 3dju h GLN 33 CO -0.00 0.36 -0.50 0.00 0.00 0.00 0.00 178.83 178.69 3dju h ARG 34 N 0.56 0.61 -0.63 1.69 3.08 -1.68 -1.80 114.38 116.21 3dju h ARG 34 Ca 0.29 -0.45 0.03 0.00 0.07 0.00 0.00 59.98 59.91 3dju h ARG 34 Cb 0.24 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3dju h ARG 34 CO -0.21 1.07 0.42 -0.07 -1.07 0.00 0.00 179.97 180.10 3dju h LEU 35 N 0.27 0.66 -0.23 3.04 3.38 -1.01 0.16 115.31 121.59 3dju h LEU 35 Ca -0.02 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 3dju h LEU 35 Cb 1.12 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3dju h LEU 35 CO 0.11 0.46 -0.41 0.50 0.09 0.00 0.00 178.44 179.19 3dju h LYS 36 N 0.78 0.68 -0.24 1.13 1.63 -0.69 -0.67 116.57 119.18 3dju h LYS 36 Ca 0.25 -0.43 0.01 0.00 -0.85 0.00 0.00 60.65 59.63 3dju h LYS 36 Cb 0.03 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 3dju h LYS 36 CO -0.06 1.04 0.13 0.28 -3.45 0.00 0.00 179.45 177.39 3dju h VAL 37 N 0.39 1.01 -0.30 2.00 2.07 -0.67 -2.25 116.25 118.50 3dju h VAL 37 Ca 0.01 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.48 3dju h VAL 37 Cb 1.01 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3dju h VAL 37 CO 0.09 0.05 0.08 0.15 0.02 0.00 0.00 177.57 177.97 3dju h PHE 38 N 0.28 0.14 0.22 1.57 3.57 -0.68 -0.80 116.94 121.24 3dju h PHE 38 Ca 0.10 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 3dju h PHE 38 Cb 0.01 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3dju h PHE 38 CO -0.08 0.05 -0.11 0.77 -2.23 0.00 0.00 178.31 176.70 3dju h SER 39 N 0.20 -0.28 0.22 0.41 0.02 -1.02 0.18 113.55 113.28 3dju h SER 39 Ca 0.14 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3dju h SER 39 Cb 0.13 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3dju h SER 39 CO -0.16 -0.19 -0.10 1.23 -1.14 0.00 0.00 176.83 176.46 3dju h GLY 40 N -0.31 -0.30 0.49 -3.77 0.00 -1.35 -0.01 103.07 97.82 3dju h GLY 40 Ca -0.03 0.11 0.12 0.00 0.00 0.00 0.00 47.33 47.53 3dju h GLY 40 CO 0.04 -0.11 0.63 0.00 0.00 0.00 0.00 176.54 177.10 3dju h ALA 41 N 0.36 1.53 -0.18 3.60 0.00 -1.12 -0.58 119.26 122.85 3dju h ALA 41 Ca -0.03 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 3dju h ALA 41 Cb 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3dju h ALA 41 CO 0.05 0.23 -0.67 1.25 0.00 0.00 0.00 179.25 180.10 3dju h LEU 42 N 1.00 0.84 -0.10 0.00 5.85 -0.45 0.66 115.31 123.11 3dju h LEU 42 Ca 0.49 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3dju h LEU 42 Cb 0.48 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3dju h LEU 42 CO -0.26 1.28 -0.11 1.56 -0.34 0.00 0.00 178.44 180.57 3dju h GLN 43 N 0.52 -0.14 -0.02 1.25 4.20 -0.43 -0.33 115.11 120.15 3dju h GLN 43 Ca -0.02 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3dju h GLN 43 Cb 1.28 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.09 3dju h GLN 43 CO 0.14 -0.09 0.01 0.93 -0.67 0.00 0.00 178.83 179.14 3dju h GLU 44 N -0.15 0.03 -0.67 1.46 5.08 -1.07 -0.21 114.58 119.06 3dju h GLU 44 Ca 0.07 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.57 3dju h GLU 44 Cb 0.25 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.39 3dju h GLU 44 CO -0.18 0.09 0.07 0.00 -1.00 0.00 0.00 179.01 177.99 3dju h ALA 45 N 0.93 0.74 0.01 3.43 0.00 -0.68 -1.24 119.26 122.46 3dju h ALA 45 Ca 0.01 0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.90 3dju h ALA 45 Cb 0.07 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3dju h ALA 45 CO -0.00 -0.37 -0.96 -0.07 0.00 0.00 0.00 179.25 177.85 3dju h LEU 46 N 0.18 0.06 -0.48 0.00 3.38 -0.75 -1.55 115.31 116.14 3dju h LEU 46 Ca 0.36 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 58.10 3dju h LEU 46 Cb 0.60 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3dju h LEU 46 CO -0.52 0.98 -0.68 0.00 0.09 0.00 0.00 178.44 178.31 3dju h THR 47 N 0.01 1.38 -0.41 0.22 1.03 -0.62 0.36 112.91 114.88 3dju h THR 47 Ca -0.02 -2.07 0.02 0.00 -0.01 0.00 0.00 66.41 64.33 3dju h THR 47 Cb 1.68 2.05 -0.03 0.00 -1.07 0.00 0.00 68.15 70.78 3dju h THR 47 CO 0.13 0.62 0.23 -0.33 -0.01 0.00 0.00 175.52 176.16 3dju h GLU 48 N 0.26 0.46 -0.39 0.00 5.08 -1.20 -2.23 114.58 116.57 3dju h GLU 48 Ca -0.02 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3dju h GLU 48 Cb 1.23 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3dju h GLU 48 CO 0.11 0.30 -0.09 1.25 -1.00 0.00 0.00 179.01 179.58 3dju h HIS 49 N 0.47 0.72 -0.00 4.33 2.76 -0.99 -3.18 115.15 119.26 3dju h HIS 49 Ca 0.17 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3dju h HIS 49 Cb 0.03 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.79 3dju h HIS 49 CO -0.08 0.74 -0.57 0.66 -1.30 0.00 0.00 177.93 177.38 3dju n TYR 50 N -4.19 0.00 -0.24 5.26 4.01 0.09 -4.60 117.16 117.50 3dju n TYR 50 Ca 0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.73 3dju n TYR 50 Cb 0.34 -0.15 0.04 0.00 -0.31 0.00 0.00 39.34 39.26 3dju n TYR 50 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3dju h LYS 51 N 0.42 -0.08 -0.41 -0.72 3.64 -1.38 0.17 116.57 118.22 3dju h LYS 51 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3dju h LYS 51 Cb 0.52 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3dju h LYS 51 CO 0.00 -0.05 0.00 0.72 -2.27 0.00 0.00 179.45 177.85 3dju n HIS 52 N -5.46 0.54 -2.61 1.91 8.25 -1.26 -4.20 115.22 112.38 3dju n HIS 52 Ca 0.07 -0.27 -0.11 0.00 -0.26 0.00 0.00 57.72 57.15 3dju n HIS 52 Cb 0.37 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.51 3dju n HIS 52 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3dju n HIS 53 N 0.92 1.74 -3.67 4.41 8.25 0.04 -5.01 115.22 121.90 3dju n HIS 53 Ca 0.17 -2.58 -0.22 0.00 -0.26 0.00 0.00 57.72 54.83 3dju n HIS 53 Cb 0.44 -0.28 -0.18 0.00 1.12 0.00 0.00 29.99 31.09 3dju n HIS 53 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 3dju s TRP 54 N -3.45 0.22 -0.36 4.41 -0.11 -1.17 -4.80 118.94 113.67 3dju s TRP 54 Ca 0.33 0.01 0.00 0.00 1.22 0.00 0.00 56.10 57.67 3dju s TRP 54 Cb 0.40 -0.60 0.13 0.00 -1.50 0.00 0.00 33.47 31.90 3dju s TRP 54 CO -0.02 -0.30 0.20 -0.06 -4.62 0.00 0.00 176.95 172.14 3dju s PHE 55 N 2.12 1.08 0.46 5.86 0.40 -1.26 -5.02 117.98 121.61 3dju s PHE 55 Ca 0.04 -1.75 0.23 0.00 -0.60 0.00 0.00 56.93 54.84 3dju s PHE 55 Cb -0.13 -1.23 1.23 0.00 0.51 0.00 0.00 43.02 43.40 3dju s PHE 55 CO -0.05 -0.82 1.86 -1.35 0.70 0.00 0.00 175.22 175.55 3dju h PRO 56 N 7.19 0.26 0.00 0.24 0.11 -1.96 -2.28 132.00 135.55 3dju h PRO 56 Ca -0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3dju h PRO 56 Cb 0.97 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3dju h PRO 56 CO 0.36 0.17 -0.28 0.93 -0.21 0.00 0.00 178.00 178.96 3dju h GLU 57 N 0.26 0.00 -2.71 1.05 5.08 -1.99 -3.36 114.58 112.90 3dju h GLU 57 Ca 0.47 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 58.23 3dju h GLU 57 Cb 1.41 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.25 3dju h GLU 57 CO -0.13 0.00 -0.75 1.63 -1.00 0.00 0.00 179.01 178.76 3dju n LYS 58 N -2.84 1.19 0.23 2.33 5.02 -0.86 -5.02 118.16 118.22 3dju n LYS 58 Ca 0.03 -3.94 0.06 0.00 -2.02 0.00 0.00 58.31 52.44 3dju n LYS 58 Cb 0.52 -2.01 0.54 0.00 -0.02 0.00 0.00 35.03 34.06 3dju n LYS 58 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3dju h PRO 59 N 5.36 0.00 0.00 1.97 0.11 -1.72 -1.74 132.00 135.98 3dju h PRO 59 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3dju h PRO 59 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3dju h PRO 59 CO 0.58 0.13 0.00 0.66 -0.21 0.00 0.00 178.00 179.16 3dju h SER 60 N 0.00 0.00 -2.82 -2.05 4.64 -1.94 -3.40 113.55 107.98 3dju h SER 60 Ca -0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3dju h SER 60 Cb 0.24 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.34 3dju h SER 60 CO 0.02 0.00 0.89 -0.75 -0.87 0.00 0.00 176.83 176.12 3dju s LYS 61 N -3.45 4.25 0.00 4.77 2.20 -0.65 -1.21 119.74 125.64 3dju s LYS 61 Ca 0.04 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 3dju s LYS 61 Cb 0.08 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 3dju s LYS 61 CO 0.58 -0.63 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 3dju n GLY 62 N 3.78 0.71 0.32 5.54 0.00 -1.26 -4.60 105.19 109.69 3dju n GLY 62 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3dju n GLY 62 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3dju h SER 63 N 0.00 0.71 0.37 1.61 0.87 -1.37 -2.56 113.55 113.19 3dju h SER 63 Ca 0.00 -0.05 -0.19 0.00 -1.23 0.00 0.00 61.79 60.32 3dju h SER 63 Cb 0.02 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 3dju h SER 63 CO 0.00 0.58 -0.77 1.23 -0.53 0.00 0.00 176.83 177.34 3dju h GLY 64 N 0.88 0.35 1.33 5.77 0.00 -1.92 -2.27 103.07 107.21 3dju h GLY 64 Ca 0.21 -0.53 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 3dju h GLY 64 CO -0.03 0.47 -0.30 -1.82 0.00 0.00 0.00 176.54 174.86 3dju h TYR 65 N 0.21 0.88 0.02 5.60 5.03 -1.91 -3.27 116.97 123.53 3dju h TYR 65 Ca -0.04 -0.23 -0.23 0.00 2.58 0.00 0.00 58.73 60.81 3dju h TYR 65 Cb 1.35 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 39.41 3dju h TYR 65 CO 0.04 0.97 -1.15 0.00 -1.32 0.00 0.00 178.16 176.69 3dju h ARG 66 N 0.64 0.04 -6.01 1.82 3.08 -1.43 -3.47 114.38 109.06 3dju h ARG 66 Ca 0.07 -0.07 -0.77 0.00 0.07 0.00 0.00 59.98 59.28 3dju h ARG 66 Cb 0.83 0.03 0.06 0.00 0.08 0.00 0.00 29.97 30.96 3dju h ARG 66 CO 0.07 0.96 0.00 0.00 -1.07 0.00 0.00 179.97 179.93 3dju s ILE 68 N -0.11 4.78 -0.08 0.00 1.01 0.15 -4.95 121.20 122.01 3dju s ILE 68 Ca 0.87 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.20 3dju s ILE 68 Cb -1.22 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 37.80 3dju s ILE 68 CO 0.57 0.08 -0.06 -0.13 0.00 0.00 0.00 174.94 175.39 3dju s ARG 69 N 1.65 2.88 -0.23 2.79 0.52 -1.26 -0.80 118.95 124.50 3dju s ARG 69 Ca 0.05 -0.53 0.01 0.00 -0.52 0.00 0.00 55.73 54.74 3dju s ARG 69 Cb -0.17 -2.65 0.06 0.00 0.52 0.00 0.00 34.95 32.71 3dju s ARG 69 CO 0.07 0.61 -0.07 0.42 0.02 0.00 0.00 175.30 176.35 3dju s ILE 70 N -0.67 1.68 0.00 1.52 1.01 -0.04 -2.48 121.20 122.22 3dju s ILE 70 Ca 0.10 -1.26 0.00 0.00 0.00 0.00 0.00 60.65 59.49 3dju s ILE 70 Cb -0.11 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.48 3dju s ILE 70 CO 0.02 -0.03 0.00 -0.46 0.00 0.00 0.00 174.94 174.46 3dju n ASN 71 N 4.63 0.00 0.04 3.58 2.04 -1.26 -1.95 115.26 122.34 3dju n ASN 71 Ca -0.13 0.00 0.06 0.00 -0.44 0.00 0.00 54.58 54.07 3dju n ASN 71 Cb 0.44 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.62 3dju n ASN 71 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3dju n HIS 72 N 0.00 0.74 -3.88 -2.53 1.44 -1.26 -4.58 115.22 105.15 3dju n HIS 72 Ca 0.00 0.23 -0.34 0.00 -2.01 0.00 0.00 57.72 55.60 3dju n HIS 72 Cb 0.00 -0.93 -0.05 0.00 0.12 0.00 0.00 29.99 29.13 3dju n HIS 72 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 3dju s LYS 73 N -3.16 3.45 0.29 -1.40 -2.85 -1.26 -5.11 119.74 109.70 3dju s LYS 73 Ca -0.03 -0.24 -0.29 0.00 -1.00 0.00 0.00 55.97 54.40 3dju s LYS 73 Cb 0.10 -3.12 -0.09 0.00 -2.06 0.00 0.00 37.83 32.65 3dju s LYS 73 CO 0.82 0.70 1.06 1.41 0.10 0.00 0.00 175.35 179.44 3dju s MET 74 N -1.67 4.63 0.05 1.78 -2.45 -1.26 -4.57 119.30 115.80 3dju s MET 74 Ca 0.24 1.70 -0.38 0.00 -1.25 0.00 0.00 55.69 56.00 3dju s MET 74 Cb -0.13 -3.12 -0.18 0.00 1.25 0.00 0.00 34.83 32.65 3dju s MET 74 CO 0.14 0.24 1.13 -3.47 1.05 0.00 0.00 175.02 174.11 3dju n ASP 75 N 1.09 0.56 0.24 1.11 2.03 -1.03 -4.83 116.55 115.71 3dju n ASP 75 Ca -0.01 1.14 0.12 0.00 0.52 0.00 0.00 54.79 56.57 3dju n ASP 75 Cb 0.46 -1.03 0.52 0.00 -0.72 0.00 0.00 41.12 40.34 3dju n ASP 75 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3dju h PRO 76 N 3.41 0.00 0.15 -0.67 0.13 -1.94 -1.23 132.00 131.85 3dju h PRO 76 Ca -0.48 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.45 3dju h PRO 76 Cb 1.39 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.55 3dju h PRO 76 CO 0.69 0.17 -0.88 0.82 -0.23 0.00 0.00 178.00 178.57 3dju h ILE 77 N 0.00 1.49 -0.10 -3.56 2.04 -2.00 -2.61 117.51 112.77 3dju h ILE 77 Ca -0.00 -2.54 0.04 0.00 1.00 0.00 0.00 64.86 63.36 3dju h ILE 77 Cb 0.68 3.17 -0.05 0.00 -0.74 0.00 0.00 36.82 39.88 3dju h ILE 77 CO 0.02 0.72 -0.25 0.40 0.00 0.00 0.00 178.15 179.05 3dju h ILE 78 N -0.31 0.41 -0.32 -0.67 2.04 -1.93 -1.60 117.51 115.14 3dju h ILE 78 Ca -0.15 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.78 3dju h ILE 78 Cb 1.69 0.41 -0.08 0.00 -0.74 0.00 0.00 36.82 38.10 3dju h ILE 78 CO 0.16 0.00 -0.24 0.28 0.00 0.00 0.00 178.15 178.36 3dju h SER 79 N -0.33 -0.78 -0.23 1.72 0.02 -1.26 0.33 113.55 113.02 3dju h SER 79 Ca 0.09 0.15 -0.19 0.00 -0.84 0.00 0.00 61.79 61.00 3dju h SER 79 Cb 0.47 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.39 3dju h SER 79 CO -0.29 -0.27 -0.60 0.08 -1.14 0.00 0.00 176.83 174.61 3dju h ARG 80 N -0.21 0.81 -0.52 3.45 0.11 -1.33 -0.78 114.38 115.92 3dju h ARG 80 Ca 0.16 -0.57 -0.00 0.00 0.10 0.00 0.00 59.98 59.68 3dju h ARG 80 Cb 0.46 0.09 -0.03 0.00 1.11 0.00 0.00 29.97 31.60 3dju h ARG 80 CO -0.44 1.19 0.32 0.28 0.10 0.00 0.00 179.97 181.42 3dju h VAL 81 N 0.56 1.15 -0.83 0.08 2.07 -1.16 -2.40 116.25 115.71 3dju h VAL 81 Ca -0.01 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3dju h VAL 81 Cb 1.22 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3dju h VAL 81 CO 0.13 0.15 0.42 0.00 0.02 0.00 0.00 177.57 178.29 3dju h ALA 82 N 1.16 1.18 -0.81 1.67 0.00 -0.14 -1.14 119.26 121.18 3dju h ALA 82 Ca 0.19 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.12 3dju h ALA 82 Cb -0.03 -0.33 -0.11 0.00 0.00 0.00 0.00 17.79 17.32 3dju h ALA 82 CO -0.04 0.64 0.32 1.03 0.00 0.00 0.00 179.25 181.20 3dju h SER 83 N 1.17 0.27 -0.01 0.00 0.87 -0.98 0.18 113.55 115.05 3dju h SER 83 Ca 0.29 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 3dju h SER 83 Cb 0.08 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3dju h SER 83 CO -0.04 0.06 0.13 1.56 -0.53 0.00 0.00 176.83 178.01 3dju h GLN 84 N 0.42 0.00 -0.23 2.24 4.20 -0.69 0.25 115.11 121.31 3dju h GLN 84 Ca 0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.17 3dju h GLN 84 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 3dju h GLN 84 CO -0.46 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 178.14 3dju n ILE 85 N -3.08 1.89 -1.88 2.54 -5.35 -0.02 -4.97 119.36 108.49 3dju n ILE 85 Ca -0.02 -1.69 -0.02 0.00 -0.27 0.00 0.00 62.75 60.74 3dju n ILE 85 Cb 0.20 -0.05 -0.00 0.00 -1.74 0.00 0.00 39.64 38.05 3dju n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dju n GLY 86 N -0.41 0.32 3.50 3.28 0.00 0.89 -5.04 105.19 107.74 3dju n GLY 86 Ca 0.17 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 3dju n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dju s LEU 87 N -0.69 3.62 0.64 0.99 1.43 -0.74 -4.99 118.68 118.93 3dju s LEU 87 Ca 0.00 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 52.86 3dju s LEU 87 Cb 0.00 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 3dju s LEU 87 CO 0.00 -0.01 1.04 -0.94 0.23 0.00 0.00 176.35 176.67 3dju s SER 88 N 1.51 6.07 0.17 2.29 1.04 -1.26 -3.05 113.70 120.47 3dju s SER 88 Ca 0.06 1.36 -0.14 0.00 0.48 0.00 0.00 55.95 57.71 3dju s SER 88 Cb -0.15 -2.36 0.07 0.00 0.10 0.00 0.00 66.02 63.68 3dju s SER 88 CO 0.05 -0.96 1.82 1.56 0.98 0.00 0.00 173.24 176.69 3dju h GLN 89 N -0.39 0.62 -0.68 4.02 4.20 -1.99 -1.61 115.11 119.29 3dju h GLN 89 Ca -0.44 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.35 3dju h GLN 89 Cb 1.20 -0.14 -0.08 0.00 0.30 0.00 0.00 27.48 28.76 3dju h GLN 89 CO 0.62 0.41 0.27 -1.35 -0.67 0.00 0.00 178.83 178.11 3dju h PRO 90 N 0.64 0.43 -0.78 1.46 0.11 -1.99 0.62 132.00 132.48 3dju h PRO 90 Ca 0.19 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3dju h PRO 90 Cb -0.03 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 30.94 3dju h PRO 90 CO -0.06 0.28 0.45 1.96 -0.21 0.00 0.00 178.00 180.42 3dju h GLN 91 N 0.44 1.08 -0.40 1.05 4.20 -1.83 -2.15 115.11 117.49 3dju h GLN 91 Ca 0.36 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 58.99 3dju h GLN 91 Cb 0.48 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 3dju h GLN 91 CO -0.35 0.78 0.18 -0.07 -0.67 0.00 0.00 178.83 178.70 3dju h LEU 92 N 1.08 0.25 -0.69 1.46 3.38 -0.38 0.15 115.31 120.57 3dju h LEU 92 Ca 0.28 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.42 3dju h LEU 92 Cb -0.00 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.63 3dju h LEU 92 CO -0.05 0.18 0.16 0.45 0.09 0.00 0.00 178.44 179.27 3dju h HIS 93 N 0.37 0.24 -0.20 1.13 3.86 -0.67 0.24 115.15 120.13 3dju h HIS 93 Ca 0.17 0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.36 3dju h HIS 93 Cb 0.11 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 3dju h HIS 93 CO -0.12 -0.06 -0.13 1.96 0.86 0.00 0.00 177.93 180.44 3dju h GLN 94 N 0.27 0.44 -0.06 2.45 4.20 -0.66 -3.33 115.11 118.41 3dju h GLN 94 Ca 0.38 -0.21 -0.23 0.00 0.06 0.00 0.00 58.65 58.64 3dju h GLN 94 Cb 0.61 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.39 3dju h GLN 94 CO -0.47 0.76 -0.90 -0.07 -0.67 0.00 0.00 178.83 177.48 3dju h LEU 95 N 0.12 0.78-10.09 1.46 3.38 -0.25 -3.46 115.31 107.25 3dju h LEU 95 Ca 0.04 -0.57 -0.52 0.00 0.09 0.00 0.00 57.88 56.92 3dju h LEU 95 Cb 0.65 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3dju h LEU 95 CO 0.04 1.37 -0.14 -0.76 0.09 0.00 0.00 178.44 179.03 3dju s LEU 96 N -8.09 4.07 0.60 1.67 1.43 0.81 -4.81 118.68 114.35 3dju s LEU 96 Ca -0.08 0.73 -0.19 0.00 -1.03 0.00 0.00 54.13 53.55 3dju s LEU 96 Cb 0.08 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 3dju s LEU 96 CO 0.89 -0.19 1.20 -2.65 0.23 0.00 0.00 176.35 175.84 3dju n PRO 97 N -0.87 1.20 -1.92 1.29 -0.02 -1.26 -4.79 135.00 128.62 3dju n PRO 97 Ca -0.02 0.46 -0.34 0.00 -2.02 0.00 0.00 63.50 61.58 3dju n PRO 97 Cb 0.54 -2.42 0.03 0.00 -0.02 0.00 0.00 33.50 31.63 3dju n PRO 97 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3dju s SER 98 N -1.21 5.29 -1.35 2.55 0.01 -1.26 -4.18 113.70 113.55 3dju s SER 98 Ca 0.77 2.08 -0.04 0.00 1.31 0.00 0.00 55.95 60.07 3dju s SER 98 Cb -0.41 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.26 3dju s SER 98 CO 0.45 -1.51 0.51 -0.62 0.41 0.00 0.00 173.24 172.47 3dju n GLU 99 N -2.03 -3.05 -3.46 12.44 1.02 -0.93 -3.62 120.64 121.01 3dju n GLU 99 Ca 0.11 0.43 -0.37 0.00 -0.02 0.00 0.00 57.16 57.30 3dju n GLU 99 Cb 0.51 -4.48 -0.07 0.00 -0.02 0.00 0.00 31.44 27.39 3dju n GLU 99 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3dju s LEU 100 N -6.87 4.29 -0.10 -4.62 2.96 -0.82 0.20 118.68 113.71 3dju s LEU 100 Ca 0.09 0.67 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 3dju s LEU 100 Cb -0.03 -2.51 0.00 0.00 0.50 0.00 0.00 46.19 44.16 3dju s LEU 100 CO 0.88 0.10 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.90 3dju s THR 101 N 0.29 1.91 -0.24 3.68 2.01 0.36 -0.86 115.64 122.79 3dju s THR 101 Ca 0.21 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.29 3dju s THR 101 Cb -0.14 -1.67 0.06 0.00 0.01 0.00 0.00 72.50 70.77 3dju s THR 101 CO 0.07 0.53 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.28 3dju s LEU 102 N 0.48 2.54 -0.22 4.42 0.20 0.02 -0.13 118.68 125.99 3dju s LEU 102 Ca -0.16 -1.22 -0.16 0.00 0.69 0.00 0.00 54.13 53.27 3dju s LEU 102 Cb -0.17 -1.14 -0.04 0.00 -0.43 0.00 0.00 46.19 44.42 3dju s LEU 102 CO 0.06 -0.26 0.43 0.26 -0.29 0.00 0.00 176.35 176.55 3dju s TRP 103 N 1.42 3.33 -0.49 5.38 0.51 0.35 0.31 118.94 129.75 3dju s TRP 103 Ca -0.04 0.60 0.03 0.00 -2.12 0.00 0.00 56.10 54.56 3dju s TRP 103 Cb -0.19 -2.58 0.13 0.00 -0.81 0.00 0.00 33.47 30.02 3dju s TRP 103 CO -0.07 -0.11 0.23 0.08 -0.51 0.00 0.00 176.95 176.57 3dju s VAL 104 N 1.66 2.72 0.30 4.03 1.01 -1.26 -1.68 120.40 127.17 3dju s VAL 104 Ca 0.19 -2.99 0.10 0.00 0.00 0.00 0.00 61.98 59.29 3dju s VAL 104 Cb -0.15 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 3dju s VAL 104 CO 0.09 -0.76 -0.10 -1.81 0.00 0.00 0.00 175.10 172.52 3dju s ASP 105 N 0.23 3.94 0.12 3.32 1.01 -0.89 -4.82 116.67 119.57 3dju s ASP 105 Ca 0.15 -0.96 -0.35 0.00 0.71 0.00 0.00 52.55 52.10 3dju s ASP 105 Cb -0.23 -0.47 -0.15 0.00 1.01 0.00 0.00 42.92 43.08 3dju s ASP 105 CO -0.03 -0.06 1.53 -2.65 0.21 0.00 0.00 175.17 174.18 3dju n PRO 106 N -0.77 1.86 -0.26 8.23 -0.02 -1.26 -2.42 135.00 140.36 3dju n PRO 106 Ca -0.05 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3dju n PRO 106 Cb 0.61 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3dju n PRO 106 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dju n TYR 107 N 3.37 0.00 -3.63 6.00 4.02 -1.26 -4.85 117.16 120.80 3dju n TYR 107 Ca 0.18 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.96 3dju n TYR 107 Cb 0.26 -0.37 -0.11 0.00 -0.02 0.00 0.00 39.34 39.10 3dju n TYR 107 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3dju s GLU 108 N -0.10 0.24 -0.17 -0.72 2.12 -1.02 -2.00 118.70 117.06 3dju s GLU 108 Ca 0.00 0.85 -0.05 0.00 0.36 0.00 0.00 54.97 56.13 3dju s GLU 108 Cb 0.00 0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.42 3dju s GLU 108 CO 0.00 -0.31 -0.01 0.08 -0.54 0.00 0.00 175.26 174.48 3dju s VAL 109 N 2.51 4.07 0.16 3.70 1.01 -0.48 -2.09 120.40 129.29 3dju s VAL 109 Ca 0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 3dju s VAL 109 Cb -0.12 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 3dju s VAL 109 CO -0.11 0.48 0.14 -0.94 0.00 0.00 0.00 175.10 174.66 3dju s SER 110 N 0.46 0.21 0.13 3.32 1.04 -0.68 -0.15 113.70 118.02 3dju s SER 110 Ca -0.02 -1.16 -0.14 0.00 0.48 0.00 0.00 55.95 55.11 3dju s SER 110 Cb -0.14 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.35 3dju s SER 110 CO 0.02 -0.80 0.35 -0.72 0.98 0.00 0.00 173.24 173.07 3dju s TYR 111 N -4.05 -0.03 -0.04 5.02 -0.85 -0.02 -0.49 117.35 116.89 3dju s TYR 111 Ca 0.25 -0.33 0.01 0.00 -0.52 0.00 0.00 57.07 56.49 3dju s TYR 111 Cb 0.06 0.16 0.02 0.00 0.38 0.00 0.00 41.96 42.58 3dju s TYR 111 CO 0.04 -0.70 -0.06 0.50 -1.52 0.00 0.00 175.55 173.81 3dju s ARG 112 N -3.85 0.92 -0.29 -3.49 3.52 0.82 -0.77 118.95 115.81 3dju s ARG 112 Ca 0.06 -0.17 -0.18 0.00 -0.13 0.00 0.00 55.73 55.32 3dju s ARG 112 Cb 0.02 -0.88 -0.02 0.00 -1.56 0.00 0.00 34.95 32.51 3dju s ARG 112 CO -0.09 -0.04 0.50 0.42 -0.81 0.00 0.00 175.30 175.28 3dju s ILE 113 N 0.75 5.06 0.00 4.11 1.01 -1.26 -0.48 121.20 130.39 3dju s ILE 113 Ca -0.11 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.22 3dju s ILE 113 Cb -0.14 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.48 3dju s ILE 113 CO 0.01 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.56 3dju n GLY 114 N 4.56 -2.01 0.52 6.18 0.00 0.52 -3.01 105.19 111.94 3dju n GLY 114 Ca -0.05 -1.23 0.42 0.00 0.00 0.00 0.00 46.02 45.16 3dju n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dju n GLU 115 N -0.37 -0.02 -0.04 1.61 1.02 -1.26 -1.96 120.64 119.61 3dju n GLU 115 Ca 0.00 1.16 0.04 0.00 -0.02 0.00 0.00 57.16 58.34 3dju n GLU 115 Cb 0.00 -2.38 0.06 0.00 -0.02 0.00 0.00 31.44 29.10 3dju n GLU 115 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3dju n ASP 116 N -4.41 2.06 -4.76 1.62 8.00 -1.26 -5.04 116.55 112.75 3dju n ASP 116 Ca 0.40 -2.43 -0.29 0.00 0.71 0.00 0.00 54.79 53.17 3dju n ASP 116 Cb 1.62 -0.18 0.13 0.00 -0.02 0.00 0.00 41.12 42.67 3dju n ASP 116 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3dju s GLY 117 N -1.77 1.60 0.52 0.44 0.00 -0.83 -5.03 107.32 102.26 3dju s GLY 117 Ca 0.13 -0.30 -0.21 0.00 0.00 0.00 0.00 44.72 44.35 3dju s GLY 117 CO 0.01 0.21 1.17 -1.35 0.00 0.00 0.00 173.10 173.14 3dju s SER 118 N -3.78 5.76 -0.28 1.64 1.04 -1.26 -4.83 113.70 111.99 3dju s SER 118 Ca 0.63 2.29 -0.29 0.00 0.48 0.00 0.00 55.95 59.06 3dju s SER 118 Cb -0.16 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.37 3dju s SER 118 CO 0.55 -1.20 1.26 -0.63 0.98 0.00 0.00 173.24 174.20 3dju s ILE 119 N -1.64 4.23 -0.01 -1.02 -1.09 -1.26 -4.26 121.20 116.15 3dju s ILE 119 Ca 0.70 1.41 0.01 0.00 -2.23 0.00 0.00 60.65 60.54 3dju s ILE 119 Cb -0.27 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 3dju s ILE 119 CO 0.32 -0.41 0.00 0.00 -1.23 0.00 0.00 174.94 173.62 3dju s VAL 121 N -1.07 5.19 -0.06 0.00 1.01 -1.26 -0.84 120.40 123.37 3dju s VAL 121 Ca 0.19 0.74 -0.08 0.00 0.00 0.00 0.00 61.98 62.83 3dju s VAL 121 Cb -0.11 -3.74 -0.29 0.00 0.00 0.00 0.00 36.38 32.23 3dju s VAL 121 CO 0.10 0.25 0.63 -0.07 0.00 0.00 0.00 175.10 176.01 3dju h LEU 122 N 7.58 0.52 -7.34 3.92 3.38 -0.90 -3.48 115.31 118.99 3dju h LEU 122 Ca -0.36 -0.85 -0.17 0.00 0.09 0.00 0.00 57.88 56.59 3dju h LEU 122 Cb 1.16 -0.17 -0.29 0.00 0.09 0.00 0.00 40.66 41.46 3dju h LEU 122 CO 0.72 1.73 -0.44 -0.47 0.09 0.00 0.00 178.44 180.07 3dju s TYR 123 N -2.58 -0.38 -0.05 1.13 5.04 -1.03 -4.98 117.35 114.50 3dju s TYR 123 Ca -0.16 0.88 -0.04 0.00 -2.44 0.00 0.00 57.07 55.31 3dju s TYR 123 Cb 0.06 0.10 0.01 0.00 0.35 0.00 0.00 41.96 42.48 3dju s TYR 123 CO 0.83 -0.24 0.12 -1.83 -1.34 0.00 0.00 175.55 173.09 3dju s GLU 124 N 1.15 0.14 -0.02 4.97 -1.05 -1.26 -1.38 118.70 121.25 3dju s GLU 124 Ca -0.08 0.18 -0.10 0.00 -0.15 0.00 0.00 54.97 54.81 3dju s GLU 124 Cb -0.09 0.06 0.01 0.00 -0.44 0.00 0.00 34.13 33.67 3dju s GLU 124 CO -0.08 -0.02 0.22 -2.00 0.95 0.00 0.00 175.26 174.32 3dju s GLU 125 N 0.11 0.51 0.24 -4.83 2.56 -0.85 -5.02 118.70 111.42 3dju s GLU 125 Ca -0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 54.97 54.48 3dju s GLU 125 Cb -0.01 0.22 -0.09 0.00 2.00 0.00 0.00 34.13 36.25 3dju s GLU 125 CO -0.00 -0.12 0.98 0.00 -0.56 0.00 0.00 175.26 175.56 3dju s ALA 126 N -1.08 3.35 -2.00 6.30 0.00 -1.26 -4.73 121.76 122.35 3dju s ALA 126 Ca -0.12 0.68 0.05 0.00 0.00 0.00 0.00 51.96 52.58 3dju s ALA 126 Cb -0.06 -3.24 0.32 0.00 0.00 0.00 0.00 23.12 20.14 3dju s ALA 126 CO 0.02 0.10 0.79 -2.30 0.00 0.00 0.00 175.76 174.38