#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x2d s HIS 12 N 0.00 3.78 0.03 3.52 5.04 -1.26 -5.09 115.29 121.31 2x2d s HIS 12 Ca 0.00 1.46 0.04 0.00 -1.54 0.00 0.00 55.06 55.02 2x2d s HIS 12 Cb 0.00 -2.75 -0.02 0.00 0.04 0.00 0.00 32.58 29.85 2x2d s HIS 12 CO 0.00 0.38 -0.13 1.14 -2.34 0.00 0.00 174.74 173.78 2x2d s GLN 13 N -0.45 0.90 0.84 2.88 -2.07 -1.26 -5.14 119.66 115.35 2x2d s GLN 13 Ca 0.36 -0.71 -0.12 0.00 -1.82 0.00 0.00 55.36 53.06 2x2d s GLN 13 Cb -0.21 -0.89 0.10 0.00 -1.09 0.00 0.00 33.01 30.93 2x2d s GLN 13 CO 0.23 0.22 1.18 0.00 -1.32 0.00 0.00 175.29 175.60 2x2d s ALA 14 N -0.82 1.74 0.18 2.60 0.00 -1.26 -4.91 121.76 119.30 2x2d s ALA 14 Ca 0.01 0.74 -0.31 0.00 0.00 0.00 0.00 51.96 52.41 2x2d s ALA 14 Cb -0.08 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.49 2x2d s ALA 14 CO 0.01 -2.41 1.37 -1.50 0.00 0.00 0.00 175.76 173.23 2x2d s ILE 15 N -2.33 3.11 0.13 0.00 1.10 -1.26 -4.94 121.20 117.00 2x2d s ILE 15 Ca 0.71 0.87 -0.31 0.00 -0.51 0.00 0.00 60.65 61.40 2x2d s ILE 15 Cb -0.26 -3.55 -0.10 0.00 0.15 0.00 0.00 42.46 38.70 2x2d s ILE 15 CO 0.53 0.11 1.66 -0.94 -2.11 0.00 0.00 174.94 174.18 2x2d s SER 16 N 0.64 6.54 0.61 4.50 1.04 -1.26 -4.90 113.70 120.87 2x2d s SER 16 Ca 0.60 2.62 0.31 0.00 0.48 0.00 0.00 55.95 59.97 2x2d s SER 16 Cb -0.38 -2.58 1.80 0.00 0.10 0.00 0.00 66.02 64.96 2x2d s SER 16 CO 0.36 -0.89 2.16 -0.65 0.98 0.00 0.00 173.24 175.20 2x2d h PRO 17 N 7.61 0.00 -0.10 4.02 0.11 -1.98 -1.55 132.00 140.12 2x2d h PRO 17 Ca -0.43 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 2x2d h PRO 17 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2x2d h PRO 17 CO 0.93 0.00 -0.25 0.00 -0.21 0.00 0.00 178.00 178.47 2x2d h ARG 18 N 0.00 0.34 -0.73 1.05 2.47 -1.97 0.30 114.38 115.85 2x2d h ARG 18 Ca 0.05 -0.24 -0.04 0.00 -1.26 0.00 0.00 59.98 58.49 2x2d h ARG 18 Cb 0.32 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.65 2x2d h ARG 18 CO -0.00 0.85 0.30 1.15 0.56 0.00 0.00 179.97 182.83 2x2d h THR 19 N -0.10 1.25 -0.22 2.04 2.02 -1.77 0.25 112.91 116.37 2x2d h THR 19 Ca -0.00 -0.77 -0.09 0.00 0.77 0.00 0.00 66.41 66.32 2x2d h THR 19 Cb 0.85 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2x2d h THR 19 CO 0.05 0.31 -0.25 -0.07 0.37 0.00 0.00 175.52 175.93 2x2d h LEU 20 N 1.05 0.42 -0.10 2.58 3.38 -1.37 -1.87 115.31 119.39 2x2d h LEU 20 Ca 0.24 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2x2d h LEU 20 Cb 0.20 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2x2d h LEU 20 CO -0.02 0.67 -0.28 -1.13 0.09 0.00 0.00 178.44 177.77 2x2d h ASN 21 N 0.37 -0.90 -0.96 -0.43 -0.00 0.12 -1.12 115.58 112.65 2x2d h ASN 21 Ca 0.06 0.11 0.16 0.00 -0.00 0.00 0.00 56.30 56.63 2x2d h ASN 21 Cb 0.65 0.36 -0.10 0.00 -0.00 0.00 0.00 38.32 39.23 2x2d h ASN 21 CO 0.05 -0.24 0.57 0.00 -0.00 0.00 0.00 177.43 177.81 2x2d h ALA 22 N -0.80 1.53 -0.11 1.57 0.00 -0.43 -2.15 119.26 118.86 2x2d h ALA 22 Ca 0.02 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 2x2d h ALA 22 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2x2d h ALA 22 CO -0.24 0.01 -0.66 2.35 0.00 0.00 0.00 179.25 180.71 2x2d h TRP 23 N 0.79 0.57 0.03 0.00 2.91 -1.18 -2.48 115.95 116.59 2x2d h TRP 23 Ca 0.53 -0.23 -0.00 0.00 1.13 0.00 0.00 58.89 60.31 2x2d h TRP 23 Cb 0.73 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 29.28 2x2d h TRP 23 CO -0.03 0.97 -0.01 0.28 -1.03 0.00 0.00 178.44 178.62 2x2d h VAL 24 N 0.31 1.02 -0.41 2.65 2.07 -0.57 -2.79 116.25 118.52 2x2d h VAL 24 Ca -0.02 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.45 2x2d h VAL 24 Cb 1.22 1.11 -0.08 0.00 -1.52 0.00 0.00 31.29 32.02 2x2d h VAL 24 CO 0.12 0.03 -0.13 0.11 0.02 0.00 0.00 177.57 177.72 2x2d h LYS 25 N -0.09 -0.04 -0.06 1.57 1.79 -1.41 -2.99 116.57 115.34 2x2d h LYS 25 Ca -0.00 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.50 2x2d h LYS 25 Cb 0.08 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.71 2x2d h LYS 25 CO 0.01 -0.03 -0.14 0.28 -1.08 0.00 0.00 179.45 178.49 2x2d h VAL 26 N -0.04 0.63 0.00 0.50 2.07 -1.36 -2.48 116.25 115.57 2x2d h VAL 26 Ca 0.20 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2x2d h VAL 26 Cb 0.35 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2x2d h VAL 26 CO -0.45 0.00 0.00 0.52 0.02 0.00 0.00 177.57 177.66 2x2d n VAL 27 N -5.28 0.25 -0.03 2.57 0.31 -1.06 -1.92 118.33 113.17 2x2d n VAL 27 Ca -0.04 0.06 -0.05 0.00 -0.01 0.00 0.00 64.34 64.30 2x2d n VAL 27 Cb 0.20 -0.70 -0.03 0.00 -0.91 0.00 0.00 33.84 32.40 2x2d n VAL 27 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2x2d n GLU 28 N -1.22 0.17 0.00 5.55 2.13 -1.19 -3.38 120.64 122.69 2x2d n GLU 28 Ca 0.12 0.04 0.10 0.00 0.66 0.00 0.00 57.16 58.08 2x2d n GLU 28 Cb 0.15 -1.11 0.46 0.00 0.27 0.00 0.00 31.44 31.22 2x2d n GLU 28 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2x2d n GLU 29 N -2.75 0.06 0.00 5.31 4.07 -0.94 -2.73 120.64 123.66 2x2d n GLU 29 Ca -0.12 0.13 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 2x2d n GLU 29 Cb 0.63 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.51 2x2d n GLU 29 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2x2d n LYS 30 N -1.46 1.12 0.00 5.31 5.02 -0.81 -5.06 118.16 122.28 2x2d n LYS 30 Ca 0.06 -0.86 0.00 0.00 -2.02 0.00 0.00 58.31 55.49 2x2d n LYS 30 Cb 0.23 -0.74 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 2x2d n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x2d n ALA 31 N -0.20 0.00 -3.05 7.82 0.00 -1.11 -1.87 120.51 122.11 2x2d n ALA 31 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2x2d n ALA 31 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 2x2d n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2x2d n PHE 32 N 0.00 0.59 -2.30 0.00 3.72 -1.26 -4.52 117.46 113.69 2x2d n PHE 32 Ca 0.00 -3.57 -0.29 0.00 -0.05 0.00 0.00 57.45 53.54 2x2d n PHE 32 Cb 0.00 -0.41 0.01 0.00 -0.94 0.00 0.00 39.48 38.14 2x2d n PHE 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2x2d s SER 33 N -2.65 6.04 0.39 4.37 1.04 -0.78 -4.40 113.70 117.72 2x2d s SER 33 Ca 0.37 1.05 0.21 0.00 0.48 0.00 0.00 55.95 58.06 2x2d s SER 33 Cb 0.37 -2.17 1.23 0.00 0.10 0.00 0.00 66.02 65.55 2x2d s SER 33 CO -0.05 -0.83 1.66 -0.65 0.98 0.00 0.00 173.24 174.35 2x2d h PRO 34 N -0.09 0.23 -0.03 4.02 0.11 -1.92 -1.66 132.00 132.66 2x2d h PRO 34 Ca -0.46 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2x2d h PRO 34 Cb 1.22 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2x2d h PRO 34 CO 0.62 0.15 0.11 0.93 -0.21 0.00 0.00 178.00 179.60 2x2d h GLU 35 N 0.23 0.00 0.00 1.05 3.07 -1.95 -1.94 114.58 115.04 2x2d h GLU 35 Ca 0.75 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.57 2x2d h GLU 35 Cb 1.99 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.90 2x2d h GLU 35 CO -0.49 0.00 -0.19 -0.39 -1.40 0.00 0.00 179.01 176.54 2x2d h VAL 36 N 0.00 1.12 0.64 3.13 -1.51 -1.67 -3.13 116.25 114.83 2x2d h VAL 36 Ca 0.01 -0.65 -0.03 0.00 -1.23 0.00 0.00 66.70 64.80 2x2d h VAL 36 Cb 0.24 1.35 0.01 0.00 -2.13 0.00 0.00 31.29 30.76 2x2d h VAL 36 CO -0.00 0.18 -0.31 0.40 -1.23 0.00 0.00 177.57 176.62 2x2d h ILE 37 N 0.00 0.07 -0.98 7.19 2.04 -1.57 -1.34 117.51 122.92 2x2d h ILE 37 Ca -0.00 -0.36 0.16 0.00 1.00 0.00 0.00 64.86 65.66 2x2d h ILE 37 Cb 0.34 0.10 -0.09 0.00 -0.74 0.00 0.00 36.82 36.42 2x2d h ILE 37 CO 0.02 0.01 0.61 -0.65 0.00 0.00 0.00 178.15 178.15 2x2d h PRO 38 N -1.20 0.77 -0.57 2.37 0.11 -1.76 -0.54 132.00 131.18 2x2d h PRO 38 Ca -0.09 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.98 2x2d h PRO 38 Cb 0.68 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 2x2d h PRO 38 CO 0.14 0.51 0.38 0.52 -0.21 0.00 0.00 178.00 179.34 2x2d h MET 39 N 0.79 0.75 0.00 1.05 2.86 -1.48 0.26 114.93 119.16 2x2d h MET 39 Ca 0.52 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 58.13 2x2d h MET 39 Cb 0.77 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 2x2d h MET 39 CO -0.29 0.50 -0.08 0.35 1.06 0.00 0.00 176.91 178.45 2x2d h PHE 40 N 0.77 -0.19 -0.78 -0.22 3.57 0.08 -0.88 116.94 119.29 2x2d h PHE 40 Ca 0.21 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 2x2d h PHE 40 Cb -0.09 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 2x2d h PHE 40 CO -0.03 -0.12 0.41 0.77 -2.23 0.00 0.00 178.31 177.11 2x2d h SER 41 N -0.13 0.99 0.08 0.41 0.02 -1.01 -0.85 113.55 113.06 2x2d h SER 41 Ca 0.03 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2x2d h SER 41 Cb 0.17 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 2x2d h SER 41 CO -0.08 0.82 -0.05 0.00 -1.14 0.00 0.00 176.83 176.38 2x2d h ALA 42 N 1.21 -0.12 0.00 3.77 0.00 -0.12 -3.17 119.26 120.83 2x2d h ALA 42 Ca 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2x2d h ALA 42 Cb 0.06 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2x2d h ALA 42 CO -0.04 -0.57 -0.12 -0.07 0.00 0.00 0.00 179.25 178.45 2x2d h LEU 43 N -0.13 0.00 -3.38 0.00 3.38 -0.89 -3.26 115.31 111.03 2x2d h LEU 43 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2x2d h LEU 43 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2x2d h LEU 43 CO 0.00 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.11 2x2d n SER 44 N -3.31 4.71 -4.68 -0.43 3.41 -0.35 -5.00 113.62 107.98 2x2d n SER 44 Ca -0.00 -2.94 -0.42 0.00 -0.26 0.00 0.00 58.87 55.25 2x2d n SER 44 Cb 0.34 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 2x2d n SER 44 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2x2d s GLU 45 N -2.73 4.14 0.00 4.33 2.02 -1.23 -2.02 118.70 123.21 2x2d s GLU 45 Ca 0.48 2.56 0.00 0.00 0.02 0.00 0.00 54.97 58.03 2x2d s GLU 45 Cb 0.37 -3.74 0.00 0.00 0.10 0.00 0.00 34.13 30.86 2x2d s GLU 45 CO 0.13 -0.86 0.00 0.41 0.02 0.00 0.00 175.26 174.96 2x2d n GLY 46 N 4.28 0.61 3.77 -1.39 0.00 -1.26 -5.02 105.19 106.18 2x2d n GLY 46 Ca 0.18 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2x2d n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x2d s ALA 47 N -2.00 3.18 0.58 4.61 0.00 -0.86 -5.04 121.76 122.23 2x2d s ALA 47 Ca 0.00 0.95 -0.09 0.00 0.00 0.00 0.00 51.96 52.82 2x2d s ALA 47 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 2x2d s ALA 47 CO 0.00 -0.47 0.95 0.95 0.00 0.00 0.00 175.76 177.19 2x2d s THR 48 N -1.40 4.61 0.33 0.00 -4.23 -1.26 -4.35 115.64 109.33 2x2d s THR 48 Ca 0.56 0.59 0.02 0.00 -1.18 0.00 0.00 61.69 61.68 2x2d s THR 48 Cb -0.30 -3.81 0.28 0.00 1.34 0.00 0.00 72.50 70.00 2x2d s THR 48 CO 0.38 -0.98 1.96 -0.65 -0.54 0.00 0.00 174.62 174.80 2x2d h PRO 49 N -0.18 0.90 -0.73 3.99 0.11 -1.86 -0.70 132.00 133.53 2x2d h PRO 49 Ca -0.45 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.67 2x2d h PRO 49 Cb 1.20 -0.20 -0.06 0.00 0.11 0.00 0.00 31.00 32.05 2x2d h PRO 49 CO 0.62 0.59 0.42 0.37 -0.21 0.00 0.00 178.00 179.80 2x2d h GLN 50 N 0.92 0.75 -0.67 1.05 4.15 -1.92 0.76 115.11 120.16 2x2d h GLN 50 Ca 0.31 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.64 2x2d h GLN 50 Cb 0.08 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 2x2d h GLN 50 CO -0.09 0.50 0.23 -0.44 -1.93 0.00 0.00 178.83 177.10 2x2d h ASP 51 N 0.77 0.95 -0.67 -0.69 3.32 -1.71 -1.48 116.42 116.92 2x2d h ASP 51 Ca 0.33 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 2x2d h ASP 51 Cb 0.19 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2x2d h ASP 51 CO -0.18 0.89 0.24 -0.07 -1.72 0.00 0.00 179.24 178.40 2x2d h LEU 52 N 0.96 0.96 -0.76 1.55 3.38 -0.78 -0.04 115.31 120.59 2x2d h LEU 52 Ca 0.22 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 2x2d h LEU 52 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2x2d h LEU 52 CO -0.01 0.88 -0.30 0.78 0.09 0.00 0.00 178.44 179.88 2x2d h ASN 53 N 1.01 0.63 -0.71 -0.43 2.35 -0.65 -1.13 115.58 116.64 2x2d h ASN 53 Ca 0.23 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2x2d h ASN 53 Cb 0.24 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 2x2d h ASN 53 CO -0.01 0.89 0.45 0.71 -1.65 0.00 0.00 177.43 177.82 2x2d h THR 54 N 0.53 1.19 -0.40 2.81 1.35 -0.67 0.76 112.91 118.48 2x2d h THR 54 Ca 0.07 -0.39 0.07 0.00 -0.55 0.00 0.00 66.41 65.61 2x2d h THR 54 Cb 0.77 0.18 -0.06 0.00 -1.73 0.00 0.00 68.15 67.31 2x2d h THR 54 CO 0.06 0.19 0.02 0.24 -0.25 0.00 0.00 175.52 175.79 2x2d h MET 55 N 0.97 0.13 -0.13 4.72 2.86 -0.57 -2.20 114.93 120.70 2x2d h MET 55 Ca 0.26 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.79 2x2d h MET 55 Cb -0.07 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2x2d h MET 55 CO -0.05 0.08 -0.37 -0.07 1.06 0.00 0.00 176.91 177.56 2x2d h LEU 56 N 0.13 0.29 -1.40 1.22 3.38 -0.75 -3.22 115.31 114.96 2x2d h LEU 56 Ca 0.19 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2x2d h LEU 56 Cb 0.27 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2x2d h LEU 56 CO -0.31 0.64 -0.30 0.78 0.09 0.00 0.00 178.44 179.35 2x2d h ASN 57 N 0.24 0.00 0.81 -0.43 2.35 -0.27 -2.82 115.58 115.46 2x2d h ASN 57 Ca 0.03 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.64 2x2d h ASN 57 Cb 0.76 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 2x2d h ASN 57 CO 0.06 0.30 -0.65 0.74 -1.65 0.00 0.00 177.43 176.23 2x2d h THR 58 N 0.00 1.35 -2.57 2.81 2.02 -1.44 -3.45 112.91 111.63 2x2d h THR 58 Ca -0.00 -2.30 -0.52 0.00 0.77 0.00 0.00 66.41 64.35 2x2d h THR 58 Cb 0.57 2.28 0.04 0.00 -1.74 0.00 0.00 68.15 69.30 2x2d h THR 58 CO 0.04 0.63 1.09 -0.69 0.37 0.00 0.00 175.52 176.96 2x2d s VAL 59 N -3.36 2.43 -0.16 3.16 1.01 -1.07 -4.95 120.40 117.46 2x2d s VAL 59 Ca -0.00 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 2x2d s VAL 59 Cb 0.11 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 2x2d s VAL 59 CO 0.76 0.00 -0.01 -0.83 0.00 0.00 0.00 175.10 175.02 2x2d s GLY 60 N 2.38 1.76 0.00 4.51 0.00 -1.26 -4.88 107.32 109.83 2x2d s GLY 60 Ca 0.79 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.71 2x2d s GLY 60 CO 0.35 -0.07 0.00 0.61 0.00 0.00 0.00 173.10 174.00 2x2d n GLY 61 N 3.46 2.07 3.76 0.20 0.00 -1.26 -4.88 105.19 108.55 2x2d n GLY 61 Ca -0.17 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 2x2d n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2x2d n HIS 62 N 13.20 -0.86 0.14 1.61 8.25 -1.26 -4.81 115.22 131.49 2x2d n HIS 62 Ca 0.00 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 2x2d n HIS 62 Cb 0.00 -1.42 0.29 0.00 1.12 0.00 0.00 29.99 29.97 2x2d n HIS 62 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2x2d h GLN 63 N -0.67 0.11 -0.16 -0.41 5.75 -1.95 -1.48 115.11 116.31 2x2d h GLN 63 Ca -0.45 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 57.98 2x2d h GLN 63 Cb 1.03 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 2x2d h GLN 63 CO 0.65 0.49 0.01 0.00 -2.65 0.00 0.00 178.83 177.33 2x2d h ALA 64 N 1.51 0.21 -0.42 3.38 0.00 -1.99 0.10 119.26 122.05 2x2d h ALA 64 Ca 0.01 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.80 2x2d h ALA 64 Cb 0.74 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 2x2d h ALA 64 CO 0.06 -0.10 0.07 0.00 0.00 0.00 0.00 179.25 179.28 2x2d h ALA 65 N 0.78 0.45 -0.62 0.00 0.00 -1.92 -1.46 119.26 116.50 2x2d h ALA 65 Ca 0.05 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2x2d h ALA 65 Cb 0.35 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2x2d h ALA 65 CO 0.01 -0.33 0.29 0.52 0.00 0.00 0.00 179.25 179.74 2x2d h MET 66 N 0.19 0.87 -0.48 0.00 2.07 -1.04 -0.82 114.93 115.72 2x2d h MET 66 Ca 0.20 -0.11 -0.06 0.00 -2.07 0.00 0.00 59.70 57.66 2x2d h MET 66 Cb 0.26 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 29.80 2x2d h MET 66 CO -0.28 0.68 0.04 0.37 1.07 0.00 0.00 176.91 178.78 2x2d h GLN 67 N 0.87 0.77 -0.43 1.72 5.75 -0.42 -1.62 115.11 121.76 2x2d h GLN 67 Ca 0.21 -0.19 -0.10 0.00 -0.15 0.00 0.00 58.65 58.43 2x2d h GLN 67 Cb 0.10 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 2x2d h GLN 67 CO -0.03 0.76 -0.14 0.52 -2.65 0.00 0.00 178.83 177.29 2x2d h MET 68 N 0.73 0.79 0.63 1.69 2.86 -0.26 -0.12 114.93 121.25 2x2d h MET 68 Ca 0.15 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 2x2d h MET 68 Cb 0.39 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 2x2d h MET 68 CO 0.01 0.89 -0.36 1.25 1.06 0.00 0.00 176.91 179.76 2x2d h LEU 69 N 0.71 -0.90 -0.91 1.22 5.85 -0.92 -2.32 115.31 118.05 2x2d h LEU 69 Ca 0.11 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.99 2x2d h LEU 69 Cb 0.64 0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.84 2x2d h LEU 69 CO 0.04 -0.58 0.54 0.11 -0.34 0.00 0.00 178.44 178.22 2x2d h LYS 70 N -0.93 0.84 -0.73 1.25 1.57 -1.19 -1.41 116.57 115.97 2x2d h LYS 70 Ca -0.08 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2x2d h LYS 70 Cb 0.74 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 2x2d h LYS 70 CO 0.10 0.56 0.47 0.93 -0.57 0.00 0.00 179.45 180.94 2x2d h GLU 71 N 0.87 0.91 -0.66 3.15 5.08 -0.99 -0.41 114.58 122.53 2x2d h GLU 71 Ca 0.45 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.72 2x2d h GLU 71 Cb 0.45 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2x2d h GLU 71 CO -0.27 0.60 0.29 1.15 -1.00 0.00 0.00 179.01 179.79 2x2d h THR 72 N 0.94 1.23 -0.31 1.13 2.02 -0.71 -2.24 112.91 114.98 2x2d h THR 72 Ca 0.28 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 2x2d h THR 72 Cb -0.04 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2x2d h THR 72 CO -0.09 0.28 0.19 0.40 0.37 0.00 0.00 175.52 176.67 2x2d h ILE 73 N 0.92 1.11 -0.73 3.11 2.04 -1.03 -1.86 117.51 121.07 2x2d h ILE 73 Ca 0.22 -0.25 0.07 0.00 1.00 0.00 0.00 64.86 65.91 2x2d h ILE 73 Cb 0.16 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 2x2d h ILE 73 CO -0.02 0.11 0.41 0.78 0.00 0.00 0.00 178.15 179.42 2x2d h ASN 74 N 0.40 0.60 -0.49 1.72 -0.26 -0.97 -0.33 115.58 116.26 2x2d h ASN 74 Ca 0.11 0.04 -0.09 0.00 -0.56 0.00 0.00 56.30 55.79 2x2d h ASN 74 Cb 0.01 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.17 2x2d h ASN 74 CO -0.02 0.37 -0.05 -0.33 -1.06 0.00 0.00 177.43 176.34 2x2d h GLU 75 N 0.73 0.94 -0.22 0.81 5.08 -1.08 -1.23 114.58 119.61 2x2d h GLU 75 Ca 0.34 -0.30 -0.21 0.00 -1.00 0.00 0.00 59.36 58.19 2x2d h GLU 75 Cb 0.25 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.42 2x2d h GLU 75 CO -0.21 0.95 -0.67 0.93 -1.00 0.00 0.00 179.01 179.01 2x2d h GLU 76 N 0.85 0.84 -0.91 2.33 4.39 -0.90 -0.99 114.58 120.19 2x2d h GLU 76 Ca 0.15 -0.61 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 2x2d h GLU 76 Cb 0.57 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 2x2d h GLU 76 CO 0.03 1.23 0.53 0.00 -1.16 0.00 0.00 179.01 179.64 2x2d h ALA 77 N 0.61 1.22 -0.30 3.43 0.00 -0.94 0.24 119.26 123.51 2x2d h ALA 77 Ca -0.02 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 2x2d h ALA 77 Cb 1.29 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2x2d h ALA 77 CO 0.14 0.65 -0.30 0.00 0.00 0.00 0.00 179.25 179.74 2x2d h ALA 78 N 1.32 0.44 -0.73 0.00 0.00 -0.93 -2.03 119.26 117.33 2x2d h ALA 78 Ca 0.32 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2x2d h ALA 78 Cb -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2x2d h ALA 78 CO -0.06 0.47 0.33 1.49 0.00 0.00 0.00 179.25 181.49 2x2d h GLU 79 N 0.49 1.07 -0.12 0.00 4.57 -1.01 -1.57 114.58 118.01 2x2d h GLU 79 Ca 0.05 -0.17 0.04 0.00 -1.18 0.00 0.00 59.36 58.10 2x2d h GLU 79 Cb 0.88 -0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 29.23 2x2d h GLU 79 CO 0.07 0.85 -0.16 2.35 -1.18 0.00 0.00 179.01 180.95 2x2d h TRP 80 N 1.03 -0.40 -0.72 0.92 2.91 -0.44 -1.30 115.95 117.95 2x2d h TRP 80 Ca 0.25 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.33 2x2d h TRP 80 Cb 0.15 0.20 -0.05 0.00 -0.51 0.00 0.00 29.16 28.94 2x2d h TRP 80 CO 0.01 -0.23 0.44 -0.44 -1.03 0.00 0.00 178.44 177.20 2x2d h ASP 81 N -0.20 0.71 -0.49 2.65 3.32 -1.11 0.37 116.42 121.67 2x2d h ASP 81 Ca 0.09 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 2x2d h ASP 81 Cb 0.33 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2x2d h ASP 81 CO -0.24 0.48 0.21 -0.09 -1.72 0.00 0.00 179.24 177.89 2x2d h ARG 82 N 0.85 0.72 0.00 3.56 2.43 -1.07 -2.29 114.38 118.58 2x2d h ARG 82 Ca 0.30 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2x2d h ARG 82 Cb 0.07 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2x2d h ARG 82 CO -0.13 0.63 0.00 -0.07 -1.51 0.00 0.00 179.97 178.89 2x2d h LEU 83 N 0.65 0.00 -6.03 3.80 3.38 -0.93 -3.39 115.31 112.80 2x2d h LEU 83 Ca 0.17 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.56 2x2d h LEU 83 Cb 0.16 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.51 2x2d h LEU 83 CO -0.02 0.00 -0.84 1.41 0.09 0.00 0.00 178.44 179.09 2x2d n HIS 84 N -3.09 1.91 -1.73 1.13 8.25 0.09 -5.09 115.22 116.69 2x2d n HIS 84 Ca 0.02 -3.89 -0.35 0.00 -0.26 0.00 0.00 57.72 53.24 2x2d n HIS 84 Cb 0.41 -0.46 0.06 0.00 1.12 0.00 0.00 29.99 31.12 2x2d n HIS 84 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2x2d s PRO 85 N -2.06 2.58 0.05 -0.41 0.04 -1.17 -4.75 135.00 129.27 2x2d s PRO 85 Ca 0.39 1.81 -0.31 0.00 0.04 0.00 0.00 61.00 62.93 2x2d s PRO 85 Cb 0.18 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.78 2x2d s PRO 85 CO -0.06 -1.51 1.39 0.08 0.04 0.00 0.00 177.00 176.93 2x2d s VAL 86 N -1.76 3.58 0.27 -0.36 1.01 -1.26 -5.00 120.40 116.88 2x2d s VAL 86 Ca 0.76 1.06 -0.29 0.00 0.00 0.00 0.00 61.98 63.51 2x2d s VAL 86 Cb -0.30 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 2x2d s VAL 86 CO 0.39 0.03 0.96 -1.00 0.00 0.00 0.00 175.10 175.49 2x2d s HIS 87 N 1.84 3.86 0.18 5.22 0.09 -1.26 -4.98 115.29 120.23 2x2d s HIS 87 Ca 0.64 1.86 -0.32 0.00 -0.00 0.00 0.00 55.06 57.24 2x2d s HIS 87 Cb -0.33 -3.00 -0.11 0.00 -0.00 0.00 0.00 32.58 29.14 2x2d s HIS 87 CO 0.28 0.28 1.73 0.00 -0.00 0.00 0.00 174.74 177.03 2x2d s ALA 88 N -1.30 3.87 0.00 -1.40 0.00 -1.26 -4.91 121.76 116.77 2x2d s ALA 88 Ca 0.44 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.92 2x2d s ALA 88 Cb -0.25 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2x2d s ALA 88 CO 0.31 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.49 2x2d n GLY 89 N 4.02 2.00 3.90 0.00 0.00 -1.26 -5.03 105.19 108.82 2x2d n GLY 89 Ca 0.16 -2.10 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 2x2d n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2x2d s PRO 90 N -0.12 3.65 0.15 1.61 0.04 -1.26 -5.13 135.00 133.94 2x2d s PRO 90 Ca 0.00 0.16 -0.31 0.00 0.04 0.00 0.00 61.00 60.89 2x2d s PRO 90 Cb 0.00 -2.52 -0.11 0.00 0.04 0.00 0.00 34.50 31.92 2x2d s PRO 90 CO 0.00 0.05 1.77 -1.50 0.04 0.00 0.00 177.00 177.36 2x2d s ILE 91 N -2.31 2.44 0.34 0.56 1.10 -1.26 -4.92 121.20 117.16 2x2d s ILE 91 Ca 0.47 0.11 -0.29 0.00 -0.51 0.00 0.00 60.65 60.43 2x2d s ILE 91 Cb -0.10 -3.07 -0.11 0.00 0.15 0.00 0.00 42.46 39.33 2x2d s ILE 91 CO 0.33 0.00 1.47 0.00 -2.11 0.00 0.00 174.94 174.64 2x2d s ALA 92 N 2.18 3.60 0.19 1.50 0.00 -1.26 -4.88 121.76 123.09 2x2d s ALA 92 Ca 0.78 1.50 -0.30 0.00 0.00 0.00 0.00 51.96 53.94 2x2d s ALA 92 Cb -0.46 -3.59 -0.08 0.00 0.00 0.00 0.00 23.12 18.99 2x2d s ALA 92 CO 0.34 -0.94 1.00 -1.25 0.00 0.00 0.00 175.76 174.91 2x2d s PRO 93 N -1.60 4.73 0.00 0.00 0.04 -1.26 -1.50 135.00 135.41 2x2d s PRO 93 Ca 0.55 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2x2d s PRO 93 Cb -0.45 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 30.79 2x2d s PRO 93 CO 0.57 0.29 0.00 0.41 0.04 0.00 0.00 177.00 178.31 2x2d n GLY 94 N 1.80 1.11 3.85 0.56 0.00 -1.26 -5.09 105.19 106.15 2x2d n GLY 94 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2x2d n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2x2d s GLN 95 N -0.84 2.31 0.21 1.61 1.11 -0.56 -5.14 119.66 118.36 2x2d s GLN 95 Ca 0.00 -1.87 0.06 0.00 0.01 0.00 0.00 55.36 53.57 2x2d s GLN 95 Cb 0.00 -2.11 -0.04 0.00 -1.01 0.00 0.00 33.01 29.85 2x2d s GLN 95 CO 0.00 -0.36 0.14 -1.64 0.01 0.00 0.00 175.29 173.44 2x2d s MET 96 N -4.12 2.83 0.82 2.91 -1.94 -1.26 -4.89 119.30 113.64 2x2d s MET 96 Ca 0.38 -1.00 -0.14 0.00 -1.71 0.00 0.00 55.69 53.22 2x2d s MET 96 Cb -0.01 -2.56 0.01 0.00 2.01 0.00 0.00 34.83 34.28 2x2d s MET 96 CO 0.23 0.44 0.61 2.89 -0.01 0.00 0.00 175.02 179.18 2x2d n ARG 97 N -0.70 0.08 -2.32 2.03 1.85 -1.26 -4.93 116.66 111.42 2x2d n ARG 97 Ca -0.08 0.08 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 2x2d n ARG 97 Cb 0.56 -1.95 -0.03 0.00 -1.05 0.00 0.00 32.46 29.99 2x2d n ARG 97 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2x2d s GLU 98 N -3.31 4.50 0.27 2.89 0.41 -1.26 -4.96 118.70 117.26 2x2d s GLU 98 Ca 0.64 1.98 -0.30 0.00 -0.41 0.00 0.00 54.97 56.88 2x2d s GLU 98 Cb -0.29 -3.15 -0.11 0.00 -1.78 0.00 0.00 34.13 28.80 2x2d s GLU 98 CO 0.60 0.00 1.51 -1.25 -0.49 0.00 0.00 175.26 175.63 2x2d s PRO 99 N -1.35 4.20 0.36 0.39 0.04 -1.26 -5.01 135.00 132.37 2x2d s PRO 99 Ca 0.48 2.43 0.02 0.00 0.04 0.00 0.00 61.00 63.96 2x2d s PRO 99 Cb -0.35 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 2x2d s PRO 99 CO 0.45 -0.51 0.55 1.03 0.04 0.00 0.00 177.00 178.55 2x2d s ARG 100 N -0.48 3.32 0.26 4.56 1.81 -1.26 -4.93 118.95 122.23 2x2d s ARG 100 Ca 0.61 -0.50 -0.10 0.00 -1.72 0.00 0.00 55.73 54.01 2x2d s ARG 100 Cb -0.45 -2.68 0.40 0.00 -0.45 0.00 0.00 34.95 31.77 2x2d s ARG 100 CO 0.46 0.06 1.57 0.78 -0.68 0.00 0.00 175.30 177.49 2x2d h GLY 101 N 0.72 0.62 2.00 -3.53 0.00 -1.92 0.42 103.07 101.38 2x2d h GLY 101 Ca -0.49 0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 2x2d h GLY 101 CO 0.59 -0.34 -0.23 1.48 0.00 0.00 0.00 176.54 178.04 2x2d h SER 102 N -0.00 0.00 -0.09 0.19 4.64 -1.94 -1.01 113.55 115.33 2x2d h SER 102 Ca 0.43 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.58 2x2d h SER 102 Cb 0.67 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2x2d h SER 102 CO -0.95 0.23 -0.57 0.44 -0.87 0.00 0.00 176.83 175.11 2x2d h ASP 103 N 0.00 0.77 -0.28 4.97 3.32 -0.54 -0.24 116.42 124.42 2x2d h ASP 103 Ca -0.00 -0.42 -0.13 0.00 0.02 0.00 0.00 57.03 56.50 2x2d h ASP 103 Cb 0.76 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 2x2d h ASP 103 CO 0.03 1.18 -0.28 0.40 -1.72 0.00 0.00 179.24 178.84 2x2d h ILE 104 N 0.52 1.28 0.00 0.35 2.04 -0.05 -2.04 117.51 119.61 2x2d h ILE 104 Ca 0.01 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.44 2x2d h ILE 104 Cb 1.15 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 2x2d h ILE 104 CO 0.12 0.47 0.00 0.00 0.00 0.00 0.00 178.15 178.74 2x2d n ALA 105 N -2.51 2.48 -1.67 1.87 0.00 -0.88 -4.61 120.51 115.18 2x2d n ALA 105 Ca -0.01 -0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 2x2d n ALA 105 Cb 0.47 -1.37 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 2x2d n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x2d n GLY 106 N 0.63 1.61 0.10 0.00 0.00 -0.77 -4.88 105.19 101.88 2x2d n GLY 106 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 2x2d n GLY 106 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2x2d h THR 107 N 0.00 0.82 0.00 2.61 1.35 -1.30 -3.37 112.91 113.02 2x2d h THR 107 Ca -0.41 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 2x2d h THR 107 Cb 1.29 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 70.02 2x2d h THR 107 CO 0.59 0.47 -0.08 0.35 -0.25 0.00 0.00 175.52 176.59 2x2d n THR 108 N -3.06 0.96 -4.68 6.82 -2.24 -0.99 -5.01 114.28 106.08 2x2d n THR 108 Ca -0.07 -1.09 -0.30 0.00 -2.27 0.00 0.00 64.05 60.32 2x2d n THR 108 Cb 0.87 0.34 -0.13 0.00 -2.10 0.00 0.00 70.33 69.30 2x2d n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2x2d s SER 109 N -1.46 3.47 0.62 3.42 1.04 -1.26 -4.83 113.70 114.70 2x2d s SER 109 Ca 0.11 -0.56 -0.05 0.00 0.48 0.00 0.00 55.95 55.93 2x2d s SER 109 Cb 0.09 -0.41 0.03 0.00 0.10 0.00 0.00 66.02 65.84 2x2d s SER 109 CO 0.01 0.24 0.91 0.42 0.98 0.00 0.00 173.24 175.80 2x2d s THR 110 N -0.92 2.91 0.19 2.02 -4.23 -1.26 -4.86 115.64 109.49 2x2d s THR 110 Ca 0.14 -0.26 -0.12 0.00 -1.18 0.00 0.00 61.69 60.27 2x2d s THR 110 Cb -0.10 -3.18 0.10 0.00 1.34 0.00 0.00 72.50 70.66 2x2d s THR 110 CO 0.05 -0.18 1.77 0.25 -0.54 0.00 0.00 174.62 175.97 2x2d h LEU 111 N -0.28 0.31 -0.78 4.79 5.85 -2.00 -2.09 115.31 121.11 2x2d h LEU 111 Ca -0.44 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.24 2x2d h LEU 111 Cb 1.29 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 2x2d h LEU 111 CO 0.59 0.21 -0.00 0.06 -0.34 0.00 0.00 178.44 178.95 2x2d h GLN 112 N 0.47 0.92 -0.18 1.25 3.07 -2.00 -2.02 115.11 116.61 2x2d h GLN 112 Ca 0.25 -0.27 0.03 0.00 0.09 0.00 0.00 58.65 58.76 2x2d h GLN 112 Cb 0.22 -0.09 -0.03 0.00 0.08 0.00 0.00 27.48 27.65 2x2d h GLN 112 CO -0.21 0.91 -0.03 0.93 0.09 0.00 0.00 178.83 180.52 2x2d h GLU 113 N 0.85 0.01 -0.83 0.06 5.08 -1.86 -0.70 114.58 117.20 2x2d h GLU 113 Ca 0.16 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2x2d h GLU 113 Cb 0.51 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 2x2d h GLU 113 CO 0.03 0.01 0.45 1.96 -1.00 0.00 0.00 179.01 180.46 2x2d h GLN 114 N 0.02 1.16 -0.52 2.33 4.20 -0.73 -1.99 115.11 119.57 2x2d h GLN 114 Ca 0.09 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 2x2d h GLN 114 Cb 0.12 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2x2d h GLN 114 CO -0.17 0.85 0.21 0.82 -0.67 0.00 0.00 178.83 179.87 2x2d h ILE 115 N 1.16 1.21 -0.03 2.54 2.04 -1.32 -2.41 117.51 120.70 2x2d h ILE 115 Ca 0.29 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2x2d h ILE 115 Cb 0.03 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2x2d h ILE 115 CO -0.05 0.25 -0.02 0.61 0.00 0.00 0.00 178.15 178.95 2x2d n GLY 116 N -0.81 -2.95 0.22 5.37 0.00 -0.28 -1.57 105.19 105.16 2x2d n GLY 116 Ca 0.02 0.57 -0.01 0.00 0.00 0.00 0.00 46.02 46.60 2x2d n GLY 116 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2x2d h TRP 117 N 0.00 0.31 -0.08 1.61 6.55 -1.32 -2.51 115.95 120.50 2x2d h TRP 117 Ca 0.00 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.87 2x2d h TRP 117 Cb 0.01 -0.05 -0.00 0.00 -0.86 0.00 0.00 29.16 28.25 2x2d h TRP 117 CO -0.89 0.06 0.04 0.52 -1.05 0.00 0.00 178.44 177.12 2x2d h MET 118 N 0.34 0.12 -0.29 0.49 2.86 -1.15 -2.91 114.93 114.40 2x2d h MET 118 Ca 0.28 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.78 2x2d h MET 118 Cb 0.35 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 2x2d h MET 118 CO -0.31 0.21 -0.31 1.79 1.06 0.00 0.00 176.91 179.36 2x2d h THR 119 N 0.00 1.30 -0.25 2.22 1.35 -1.21 -3.41 112.91 112.91 2x2d h THR 119 Ca 0.03 -1.48 -0.07 0.00 -0.55 0.00 0.00 66.41 64.34 2x2d h THR 119 Cb 0.13 1.60 0.03 0.00 -1.73 0.00 0.00 68.15 68.17 2x2d h THR 119 CO -0.00 0.47 -0.19 1.57 -0.25 0.00 0.00 175.52 177.12 2x2d n HIS 120 N -4.25 -0.51 -4.00 4.73 -0.00 -0.95 -4.66 115.22 105.58 2x2d n HIS 120 Ca -0.04 0.02 -0.34 0.00 -0.00 0.00 0.00 57.72 57.36 2x2d n HIS 120 Cb 0.48 -0.19 -0.15 0.00 -0.00 0.00 0.00 29.99 30.13 2x2d n HIS 120 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2x2d s ASN 121 N -0.12 3.80 1.37 0.26 -0.87 -1.26 -1.79 114.94 116.31 2x2d s ASN 121 Ca 0.06 -0.53 -0.20 0.00 -1.57 0.00 0.00 52.86 50.62 2x2d s ASN 121 Cb -0.04 -1.62 0.35 0.00 -0.02 0.00 0.00 41.25 39.92 2x2d s ASN 121 CO 0.09 -0.02 0.95 -2.84 -2.57 0.00 0.00 177.10 172.71 2x2d s PRO 122 N 1.39 -2.50 0.56 -0.60 0.02 -1.26 -5.09 135.00 127.52 2x2d s PRO 122 Ca 0.05 0.33 -0.11 0.00 0.02 0.00 0.00 61.00 61.29 2x2d s PRO 122 Cb -0.14 -1.41 -0.05 0.00 0.02 0.00 0.00 34.50 32.92 2x2d s PRO 122 CO -0.08 -4.64 0.96 -1.25 -0.33 0.00 0.00 177.00 171.66 2x2d s PRO 123 N -4.89 3.65 -0.30 5.54 0.05 -0.74 -5.02 135.00 133.30 2x2d s PRO 123 Ca 0.69 0.65 -0.02 0.00 0.05 0.00 0.00 61.00 62.37 2x2d s PRO 123 Cb -0.17 -2.17 0.05 0.00 0.05 0.00 0.00 34.50 32.26 2x2d s PRO 123 CO 0.60 -0.42 0.00 0.42 0.05 0.00 0.00 177.00 177.66 2x2d s ILE 124 N -2.96 3.06 -1.39 0.56 1.09 -1.10 -5.04 121.20 115.42 2x2d s ILE 124 Ca 0.54 -1.33 -0.14 0.00 -1.10 0.00 0.00 60.65 58.63 2x2d s ILE 124 Cb -0.11 -2.74 0.07 0.00 -1.06 0.00 0.00 42.46 38.63 2x2d s ILE 124 CO 0.47 -0.09 2.06 -0.81 -0.10 0.00 0.00 174.94 176.48 2x2d n PRO 125 N 4.64 3.07 -0.06 2.79 -0.04 -1.26 -3.97 135.00 140.17 2x2d n PRO 125 Ca -0.13 -2.92 0.18 0.00 -0.04 0.00 0.00 63.50 60.59 2x2d n PRO 125 Cb 0.44 -3.24 0.62 0.00 -0.04 0.00 0.00 33.50 31.28 2x2d n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2x2d h VAL 126 N 4.20 0.76 -0.38 0.52 -1.51 -1.92 0.19 116.25 118.10 2x2d h VAL 126 Ca 0.51 -0.05 -0.09 0.00 -1.23 0.00 0.00 66.70 65.84 2x2d h VAL 126 Cb 0.68 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.41 2x2d h VAL 126 CO 1.75 0.03 -0.11 1.23 -1.23 0.00 0.00 177.57 179.25 2x2d h GLY 127 N 0.16 0.80 2.00 5.19 0.00 -1.85 -1.00 103.07 108.37 2x2d h GLY 127 Ca 0.30 -0.67 -0.13 0.00 0.00 0.00 0.00 47.33 46.83 2x2d h GLY 127 CO -0.04 0.61 -0.60 0.83 0.00 0.00 0.00 176.54 177.34 2x2d h GLU 128 N 0.54 0.00 0.32 4.80 4.39 -1.26 -1.62 114.58 121.74 2x2d h GLU 128 Ca 0.09 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 2x2d h GLU 128 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2x2d h GLU 128 CO 0.04 0.60 -0.15 0.82 -1.16 0.00 0.00 179.01 179.16 2x2d h ILE 129 N 0.00 0.62 -0.62 3.13 2.04 -1.16 -2.42 117.51 119.09 2x2d h ILE 129 Ca -0.01 -0.69 0.08 0.00 1.00 0.00 0.00 64.86 65.24 2x2d h ILE 129 Cb 1.09 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 38.03 2x2d h ILE 129 CO 0.08 0.12 0.28 0.22 0.00 0.00 0.00 178.15 178.84 2x2d h TYR 130 N -0.85 0.49 -0.75 1.37 3.20 -1.22 -2.56 116.97 116.65 2x2d h TYR 130 Ca -0.04 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.93 2x2d h TYR 130 Cb 0.52 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.60 2x2d h TYR 130 CO 0.03 0.17 0.41 -0.22 -1.64 0.00 0.00 178.16 176.92 2x2d h LYS 131 N 0.49 0.70 -0.75 1.82 3.64 -1.34 -1.54 116.57 119.59 2x2d h LYS 131 Ca 0.31 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.74 2x2d h LYS 131 Cb 0.33 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 2x2d h LYS 131 CO -0.26 0.46 0.38 0.00 -2.27 0.00 0.00 179.45 177.76 2x2d h ARG 132 N 0.72 0.62 -0.72 1.90 3.08 -1.04 -0.36 114.38 118.58 2x2d h ARG 132 Ca 0.35 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 2x2d h ARG 132 Cb 0.29 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 2x2d h ARG 132 CO -0.23 0.41 0.31 -1.49 -1.07 0.00 0.00 179.97 177.90 2x2d h TRP 133 N 0.64 1.05 -0.29 3.04 6.55 -1.03 -2.15 115.95 123.76 2x2d h TRP 133 Ca 0.37 -0.06 -0.17 0.00 0.95 0.00 0.00 58.89 59.99 2x2d h TRP 133 Cb 0.41 -0.32 -0.00 0.00 -0.86 0.00 0.00 29.16 28.38 2x2d h TRP 133 CO -0.10 0.79 -0.47 0.82 -1.05 0.00 0.00 178.44 178.43 2x2d h ILE 134 N 1.03 1.28 -0.72 1.49 2.04 -0.97 -1.67 117.51 119.99 2x2d h ILE 134 Ca 0.24 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 2x2d h ILE 134 Cb 0.16 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 2x2d h ILE 134 CO -0.03 0.54 0.39 0.40 0.00 0.00 0.00 178.15 179.45 2x2d h ILE 135 N 0.61 1.21 -0.47 -0.67 2.04 -0.75 0.48 117.51 119.97 2x2d h ILE 135 Ca 0.02 -0.54 -0.09 0.00 1.00 0.00 0.00 64.86 65.26 2x2d h ILE 135 Cb 1.07 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2x2d h ILE 135 CO 0.11 0.24 -0.04 -0.07 0.00 0.00 0.00 178.15 178.38 2x2d h LEU 136 N 1.00 0.85 -0.51 1.44 3.38 -1.04 -0.20 115.31 120.23 2x2d h LEU 136 Ca 0.25 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2x2d h LEU 136 Cb 0.03 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 2x2d h LEU 136 CO -0.04 0.97 0.24 1.23 0.09 0.00 0.00 178.44 180.94 2x2d h GLY 137 N 0.70 0.70 0.99 0.83 0.00 -0.67 -1.83 103.07 103.80 2x2d h GLY 137 Ca 0.13 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.31 2x2d h GLY 137 CO 0.03 0.09 0.50 1.41 0.00 0.00 0.00 176.54 178.57 2x2d h LEU 138 N 0.47 0.86 -0.82 3.11 3.38 0.26 -1.69 115.31 120.88 2x2d h LEU 138 Ca 0.23 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.26 2x2d h LEU 138 Cb 0.16 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 2x2d h LEU 138 CO -0.17 0.62 0.48 0.78 0.09 0.00 0.00 178.44 180.23 2x2d h ASN 139 N 1.01 0.70 -0.71 -0.43 2.35 -0.76 0.21 115.58 117.95 2x2d h ASN 139 Ca 0.28 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2x2d h ASN 139 Cb -0.11 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 2x2d h ASN 139 CO -0.06 0.42 0.43 0.50 -1.65 0.00 0.00 177.43 177.06 2x2d h LYS 140 N 0.83 0.97 -0.49 0.81 3.64 -0.81 -0.11 116.57 121.39 2x2d h LYS 140 Ca 0.38 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.60 2x2d h LYS 140 Cb 0.30 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2x2d h LYS 140 CO -0.22 0.69 0.02 0.82 -2.27 0.00 0.00 179.45 178.49 2x2d h ILE 141 N 0.97 1.26 -0.67 2.00 2.04 -0.71 -2.17 117.51 120.23 2x2d h ILE 141 Ca 0.25 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 2x2d h ILE 141 Cb -0.03 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 2x2d h ILE 141 CO -0.05 0.36 0.27 0.58 0.00 0.00 0.00 178.15 179.31 2x2d h VAL 142 N 0.72 1.24 -0.67 1.67 2.07 -0.32 -0.79 116.25 120.18 2x2d h VAL 142 Ca 0.14 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 2x2d h VAL 142 Cb 0.48 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2x2d h VAL 142 CO 0.02 0.30 0.20 0.08 0.02 0.00 0.00 177.57 178.19 2x2d h ARG 143 N 0.95 1.03 0.00 1.57 0.11 -0.83 0.14 114.38 117.35 2x2d h ARG 143 Ca 0.22 -0.21 -0.00 0.00 0.10 0.00 0.00 59.98 60.09 2x2d h ARG 143 Cb 0.21 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.14 2x2d h ARG 143 CO -0.02 0.88 -0.00 1.98 0.10 0.00 0.00 179.97 182.91 2x2d h MET 144 N 0.99 -0.00 0.00 0.08 4.05 -0.99 -3.33 114.93 115.73 2x2d h MET 144 Ca 0.22 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 2x2d h MET 144 Cb 0.29 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 2x2d h MET 144 CO -0.01 0.14 -0.62 0.66 0.23 0.00 0.00 176.91 177.31 2x2d n TYR 145 N -5.02 0.23 -0.65 1.39 4.01 -0.34 -5.12 117.16 111.67 2x2d n TYR 145 Ca -0.07 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2x2d n TYR 145 Cb 0.10 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 2x2d n TYR 145 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27