#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mm4 h ASN 2 N 0.00 0.50 -0.29 6.12 2.35 -2.04 -2.94 115.58 119.28 1mm4 h ASN 2 Ca 0.00 -0.24 0.08 0.00 -0.55 0.00 0.00 56.30 55.59 1mm4 h ASN 2 Cb 0.00 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1mm4 h ASN 2 CO 0.00 0.91 0.40 0.00 -1.65 0.00 0.00 177.43 177.09 1mm4 h ALA 3 N 1.11 1.90 0.11 -0.83 0.00 -2.04 0.77 119.26 120.27 1mm4 h ALA 3 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1mm4 h ALA 3 Cb 0.99 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1mm4 h ALA 3 CO 0.09 -0.55 -0.05 -0.44 0.00 0.00 0.00 179.25 178.30 1mm4 h ASP 4 N 0.00 -0.12 0.60 0.00 5.19 -1.95 -2.05 116.42 118.09 1mm4 h ASP 4 Ca 0.14 -0.25 -0.05 0.00 -0.62 0.00 0.00 57.03 56.25 1mm4 h ASP 4 Cb 0.94 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 1mm4 h ASP 4 CO -0.00 0.47 -0.25 -0.33 -3.12 0.00 0.00 179.24 176.00 1mm4 h GLU 5 N -0.99 0.00 0.01 3.56 5.08 -1.46 -2.64 114.58 118.14 1mm4 h GLU 5 Ca -0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 1mm4 h GLU 5 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1mm4 h GLU 5 CO 0.02 0.25 -0.91 2.35 -1.00 0.00 0.00 179.01 179.72 1mm4 h TRP 6 N 0.00 0.08 -0.17 4.33 -0.00 0.43 -2.99 115.95 117.64 1mm4 h TRP 6 Ca -0.00 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.89 58.78 1mm4 h TRP 6 Cb 0.62 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.16 29.77 1mm4 h TRP 6 CO 0.00 0.93 -0.10 1.98 -0.00 0.00 0.00 178.44 181.25 1mm4 h MET 7 N 0.02 0.37 -0.64 2.65 4.05 -1.01 -2.37 114.93 118.01 1mm4 h MET 7 Ca -0.02 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 59.21 1mm4 h MET 7 Cb 1.59 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 32.35 1mm4 h MET 7 CO 0.12 0.69 0.34 1.79 0.23 0.00 0.00 176.91 180.08 1mm4 h THR 8 N 0.05 1.21 -0.54 -0.77 1.35 -1.59 0.25 112.91 112.87 1mm4 h THR 8 Ca 0.04 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1mm4 h THR 8 Cb 0.58 0.40 -0.03 0.00 -1.73 0.00 0.00 68.15 67.38 1mm4 h THR 8 CO 0.03 0.23 0.35 0.71 -0.25 0.00 0.00 175.52 176.59 1mm4 h THR 9 N 0.87 1.14 -0.37 6.82 1.35 -1.51 -1.30 112.91 119.91 1mm4 h THR 9 Ca 0.22 -0.26 -0.09 0.00 -0.55 0.00 0.00 66.41 65.73 1mm4 h THR 9 Cb 0.06 0.36 -0.01 0.00 -1.73 0.00 0.00 68.15 66.83 1mm4 h THR 9 CO -0.03 0.14 -0.13 -0.26 -0.25 0.00 0.00 175.52 174.98 1mm4 h PHE 10 N 0.73 0.85 -0.15 4.73 0.04 -1.15 -2.86 116.94 119.13 1mm4 h PHE 10 Ca 0.20 -0.20 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1mm4 h PHE 10 Cb -0.08 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 1mm4 h PHE 10 CO -0.04 0.91 0.09 -0.09 -0.60 0.00 0.00 178.31 178.58 1mm4 h ARG 11 N 0.54 0.19 -0.30 1.51 2.43 -0.68 -1.08 114.38 117.00 1mm4 h ARG 11 Ca 0.09 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 1mm4 h ARG 11 Cb 0.66 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1mm4 h ARG 11 CO 0.05 0.14 -0.10 1.49 -1.51 0.00 0.00 179.97 180.03 1mm4 h GLU 12 N 0.20 0.59 0.29 0.20 4.81 -1.02 0.21 114.58 119.86 1mm4 h GLU 12 Ca 0.05 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1mm4 h GLU 12 Cb -0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1mm4 h GLU 12 CO -0.01 0.80 -0.14 -0.91 -0.73 0.00 0.00 179.01 178.02 1mm4 h ASN 13 N 0.35 -0.33 -0.42 1.04 2.35 -1.25 -2.01 115.58 115.32 1mm4 h ASN 13 Ca 0.07 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1mm4 h ASN 13 Cb 0.60 0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 1mm4 h ASN 13 CO 0.04 0.06 0.28 -0.29 -1.65 0.00 0.00 177.43 175.86 1mm4 h ILE 14 N -0.77 1.09 0.39 2.81 2.10 -1.29 -1.16 117.51 120.69 1mm4 h ILE 14 Ca -0.04 -0.19 -0.02 0.00 1.08 0.00 0.00 64.86 65.69 1mm4 h ILE 14 Cb 0.50 0.50 0.00 0.00 -1.09 0.00 0.00 36.82 36.74 1mm4 h ILE 14 CO 0.07 0.10 -0.19 0.00 -1.08 0.00 0.00 178.15 177.05 1mm4 h ALA 15 N 1.74 -0.52 -0.15 0.18 0.00 -0.90 0.13 119.26 119.74 1mm4 h ALA 15 Ca 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1mm4 h ALA 15 Cb -0.04 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1mm4 h ALA 15 CO -0.03 -0.67 0.07 1.96 0.00 0.00 0.00 179.25 180.58 1mm4 h GLN 16 N -0.77 0.20 -0.03 0.00 4.20 -1.13 -0.65 115.11 116.93 1mm4 h GLN 16 Ca -0.05 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1mm4 h GLN 16 Cb 0.52 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1mm4 h GLN 16 CO 0.09 0.16 -0.15 1.15 -0.67 0.00 0.00 178.83 179.41 1mm4 h THR 17 N 0.21 1.49 -0.56 -0.54 2.02 -1.08 -2.09 112.91 112.36 1mm4 h THR 17 Ca 0.05 -1.64 -0.00 0.00 0.77 0.00 0.00 66.41 65.59 1mm4 h THR 17 Cb 0.02 2.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 1mm4 h THR 17 CO -0.01 0.45 0.34 -0.25 0.37 0.00 0.00 175.52 176.42 1mm4 h TRP 18 N -0.44 0.73 0.73 3.16 7.01 -0.38 -3.14 115.95 123.62 1mm4 h TRP 18 Ca -0.01 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 1mm4 h TRP 18 Cb 0.81 -0.24 0.01 0.00 -2.10 0.00 0.00 29.16 27.63 1mm4 h TRP 18 CO 0.15 0.50 -0.35 0.37 -2.79 0.00 0.00 178.44 176.32 1mm4 h GLN 19 N 0.75 -0.94 -3.50 2.65 5.75 -1.20 -3.44 115.11 115.18 1mm4 h GLN 19 Ca 0.20 0.06 -0.37 0.00 -0.15 0.00 0.00 58.65 58.39 1mm4 h GLN 19 Cb -0.02 0.21 -0.37 0.00 1.07 0.00 0.00 27.48 28.37 1mm4 h GLN 19 CO -0.04 -0.60 -0.75 -0.65 -2.65 0.00 0.00 178.83 174.14 1mm4 s GLN 20 N -5.43 0.16 0.13 1.69 -1.52 -0.79 -5.04 119.66 108.86 1mm4 s GLN 20 Ca -0.17 0.24 -0.11 0.00 -1.95 0.00 0.00 55.36 53.37 1mm4 s GLN 20 Cb 0.02 -0.59 -0.08 0.00 -0.22 0.00 0.00 33.01 32.14 1mm4 s GLN 20 CO 0.54 -0.27 1.40 -1.00 -0.25 0.00 0.00 175.29 175.71 1mm4 h PRO 21 N 8.08 0.84 -6.37 2.91 0.13 -1.77 -3.37 132.00 132.46 1mm4 h PRO 21 Ca -0.23 -0.56 -0.54 0.00 -0.87 0.00 0.00 66.00 63.80 1mm4 h PRO 21 Cb 1.12 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1mm4 h PRO 21 CO 0.27 1.19 0.15 -1.21 -0.23 0.00 0.00 178.00 178.17 1mm4 s GLU 22 N -4.06 4.50 -0.10 0.86 2.02 -1.26 -5.00 118.70 115.66 1mm4 s GLU 22 Ca -0.10 1.07 -0.04 0.00 0.02 0.00 0.00 54.97 55.92 1mm4 s GLU 22 Cb 0.10 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 1mm4 s GLU 22 CO 0.89 0.41 0.06 -1.01 0.02 0.00 0.00 175.26 175.64 1mm4 s HIS 23 N -0.52 3.36 -0.38 1.61 3.76 -1.26 -4.91 115.29 116.94 1mm4 s HIS 23 Ca 0.37 0.34 -0.29 0.00 -0.15 0.00 0.00 55.06 55.33 1mm4 s HIS 23 Cb -0.21 -1.85 0.01 0.00 1.11 0.00 0.00 32.58 31.63 1mm4 s HIS 23 CO 0.24 0.59 1.39 0.71 -0.85 0.00 0.00 174.74 176.81 1mm4 s TYR 24 N -0.96 2.47 0.29 1.40 2.02 -0.65 -3.34 117.35 118.57 1mm4 s TYR 24 Ca 0.14 0.72 -0.24 0.00 -0.37 0.00 0.00 57.07 57.33 1mm4 s TYR 24 Cb -0.12 -4.20 -0.09 0.00 -0.40 0.00 0.00 41.96 37.15 1mm4 s TYR 24 CO 0.03 -1.93 0.86 -0.51 -1.57 0.00 0.00 175.55 172.44 1mm4 s ASP 25 N 3.64 7.22 -0.00 2.29 1.01 0.42 -1.75 116.67 129.50 1mm4 s ASP 25 Ca 0.60 1.68 0.06 0.00 0.71 0.00 0.00 52.55 55.60 1mm4 s ASP 25 Cb -0.15 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.25 1mm4 s ASP 25 CO 0.30 -0.04 -0.19 -0.22 0.21 0.00 0.00 175.17 175.23 1mm4 s LEU 26 N -2.07 2.06 -0.17 1.23 2.96 0.42 -1.85 118.68 121.26 1mm4 s LEU 26 Ca 0.48 -0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 54.02 1mm4 s LEU 26 Cb -0.17 -0.94 0.04 0.00 0.50 0.00 0.00 46.19 45.62 1mm4 s LEU 26 CO 0.22 0.21 -0.07 -0.31 -1.32 0.00 0.00 176.35 175.08 1mm4 s TYR 27 N -0.51 1.87 0.05 5.38 2.02 -0.41 -2.22 117.35 123.53 1mm4 s TYR 27 Ca 0.07 -1.20 -0.01 0.00 -0.37 0.00 0.00 57.07 55.56 1mm4 s TYR 27 Cb -0.07 -1.40 -0.04 0.00 -0.40 0.00 0.00 41.96 40.05 1mm4 s TYR 27 CO -0.00 -0.64 -0.03 0.96 -1.57 0.00 0.00 175.55 174.26 1mm4 s ILE 28 N 1.58 0.20 0.94 2.71 -0.00 -1.07 -2.38 121.20 123.18 1mm4 s ILE 28 Ca 0.01 -1.66 -0.13 0.00 -0.00 0.00 0.00 60.65 58.86 1mm4 s ILE 28 Cb -0.15 -1.32 0.02 0.00 -0.00 0.00 0.00 42.46 41.01 1mm4 s ILE 28 CO -0.08 -0.92 0.37 -2.65 -0.00 0.00 0.00 174.94 171.66 1mm4 n PRO 29 N 0.35 -0.24 -1.71 0.37 -0.02 -1.26 -2.19 135.00 130.30 1mm4 n PRO 29 Ca -0.16 -0.03 -0.15 0.00 -2.02 0.00 0.00 63.50 61.15 1mm4 n PRO 29 Cb 0.60 -1.82 0.08 0.00 -0.02 0.00 0.00 33.50 32.34 1mm4 n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mm4 n ALA 30 N -3.47 -0.05 -2.77 3.55 0.00 -1.26 -4.49 120.51 112.01 1mm4 n ALA 30 Ca 0.07 -1.18 -0.36 0.00 0.00 0.00 0.00 53.44 51.97 1mm4 n ALA 30 Cb 0.53 0.16 -0.06 0.00 0.00 0.00 0.00 19.45 20.09 1mm4 n ALA 30 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1mm4 s ILE 31 N -1.96 5.34 -0.01 0.00 -4.36 -1.26 -5.02 121.20 113.93 1mm4 s ILE 31 Ca 0.42 0.24 -0.22 0.00 -0.26 0.00 0.00 60.65 60.82 1mm4 s ILE 31 Cb -0.02 -3.53 -0.21 0.00 1.25 0.00 0.00 42.46 39.94 1mm4 s ILE 31 CO 0.28 0.46 1.13 0.00 0.24 0.00 0.00 174.94 177.05 1mm4 h THR 32 N 3.37 1.46 0.00 8.37 1.03 -2.03 -3.47 112.91 121.65 1mm4 h THR 32 Ca -0.52 -1.83 0.00 0.00 -0.01 0.00 0.00 66.41 64.05 1mm4 h THR 32 Cb 1.21 2.50 0.00 0.00 -1.07 0.00 0.00 68.15 70.79 1mm4 h THR 32 CO 0.63 0.52 0.00 0.79 -0.01 0.00 0.00 175.52 177.45 1mm4 n TRP 33 N -4.43 -0.43 0.00 0.00 7.02 -1.26 -5.12 117.44 113.22 1mm4 n TRP 33 Ca -0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.39 1mm4 n TRP 33 Cb 0.52 0.29 0.00 0.00 -2.42 0.00 0.00 31.31 29.70 1mm4 n TRP 33 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1mm4 n HIS 34 N -1.88 -1.56 -2.76 -5.99 8.25 -1.26 -5.12 115.22 104.89 1mm4 n HIS 34 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1mm4 n HIS 34 Cb 0.00 0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1mm4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mm4 n ALA 35 N -2.40 -3.36 -0.17 -1.41 0.00 -1.26 -5.04 120.51 106.88 1mm4 n ALA 35 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 53.44 54.14 1mm4 n ALA 35 Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1mm4 n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1mm4 n ARG 36 N 0.42 0.00 -1.09 0.00 5.12 -1.26 -4.90 116.66 114.94 1mm4 n ARG 36 Ca 0.03 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.82 1mm4 n ARG 36 Cb 0.13 0.00 0.16 0.00 -1.16 0.00 0.00 32.46 31.59 1mm4 n ARG 36 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1mm4 n PHE 37 N -2.24 1.86 -3.20 -1.55 3.72 -1.26 -4.99 117.46 109.81 1mm4 n PHE 37 Ca 0.00 -1.90 -0.39 0.00 -0.05 0.00 0.00 57.45 55.11 1mm4 n PHE 37 Cb 0.00 -0.66 -0.06 0.00 -0.94 0.00 0.00 39.48 37.81 1mm4 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mm4 s ALA 38 N -3.38 3.53 0.42 4.37 0.00 -1.26 -5.05 121.76 120.39 1mm4 s ALA 38 Ca 0.50 -0.31 -0.24 0.00 0.00 0.00 0.00 51.96 51.91 1mm4 s ALA 38 Cb 0.43 -2.86 -0.08 0.00 0.00 0.00 0.00 23.12 20.61 1mm4 s ALA 38 CO 0.02 -0.43 1.12 -0.47 0.00 0.00 0.00 175.76 175.99 1mm4 s TYR 39 N 1.62 3.07 0.27 0.00 5.04 -1.26 -5.04 117.35 121.04 1mm4 s TYR 39 Ca 0.26 1.58 0.03 0.00 -2.44 0.00 0.00 57.07 56.51 1mm4 s TYR 39 Cb -0.16 -3.28 -0.03 0.00 0.35 0.00 0.00 41.96 38.85 1mm4 s TYR 39 CO 0.10 -1.11 0.42 0.16 -1.34 0.00 0.00 175.55 173.79 1mm4 s ASP 40 N -1.41 6.32 -0.01 4.32 -4.77 -1.26 -5.10 116.67 114.76 1mm4 s ASP 40 Ca 0.60 0.23 -0.06 0.00 -3.30 0.00 0.00 52.55 50.02 1mm4 s ASP 40 Cb -0.26 -1.93 -0.05 0.00 -1.09 0.00 0.00 42.92 39.59 1mm4 s ASP 40 CO 0.32 -0.14 0.24 -0.75 0.70 0.00 0.00 175.17 175.55 1mm4 s LYS 41 N -4.01 3.55 -0.11 2.11 2.47 -1.26 -5.09 119.74 117.40 1mm4 s LYS 41 Ca 0.36 -0.11 -0.03 0.00 -1.56 0.00 0.00 55.97 54.63 1mm4 s LYS 41 Cb -0.09 -3.09 0.05 0.00 -1.46 0.00 0.00 37.83 33.23 1mm4 s LYS 41 CO 0.31 0.67 0.09 -2.00 0.16 0.00 0.00 175.35 174.58 1mm4 s GLU 42 N -1.71 0.00 0.00 4.03 2.56 -1.26 -4.96 118.70 117.36 1mm4 s GLU 42 Ca 0.26 0.19 0.00 0.00 0.00 0.00 0.00 54.97 55.43 1mm4 s GLU 42 Cb -0.13 -1.08 0.00 0.00 2.00 0.00 0.00 34.13 34.92 1mm4 s GLU 42 CO 0.15 -0.49 0.00 1.63 -0.56 0.00 0.00 175.26 176.00 1mm4 n LYS 43 N 5.29 0.00 0.00 4.30 5.02 -1.26 -5.04 118.16 126.47 1mm4 n LYS 43 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1mm4 n LYS 43 Cb 0.50 -0.04 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 1mm4 n LYS 43 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1mm4 n THR 44 N -2.12 0.00 -1.55 -0.18 5.66 -1.26 -5.06 114.28 109.78 1mm4 n THR 44 Ca 0.00 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.62 1mm4 n THR 44 Cb 0.00 -0.15 -0.05 0.00 -1.55 0.00 0.00 70.33 68.59 1mm4 n THR 44 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1mm4 n ASP 45 N -2.12 2.22 -3.53 1.09 -0.08 -1.26 -4.87 116.55 107.99 1mm4 n ASP 45 Ca 0.00 -0.30 -0.29 0.00 -1.51 0.00 0.00 54.79 52.69 1mm4 n ASP 45 Cb 0.00 -1.50 -0.12 0.00 2.34 0.00 0.00 41.12 41.84 1mm4 n ASP 45 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1mm4 s ARG 46 N 8.00 0.81 0.38 -0.67 3.52 -1.26 -4.94 118.95 124.79 1mm4 s ARG 46 Ca 1.03 -1.60 -0.20 0.00 -0.13 0.00 0.00 55.73 54.82 1mm4 s ARG 46 Cb -0.35 -1.63 -0.10 0.00 -1.56 0.00 0.00 34.95 31.31 1mm4 s ARG 46 CO 0.31 -1.21 0.89 -0.47 -0.81 0.00 0.00 175.30 174.01 1mm4 s TYR 47 N 0.76 3.40 0.47 5.12 5.04 -1.26 -5.05 117.35 125.83 1mm4 s TYR 47 Ca 0.19 1.54 -0.20 0.00 -2.44 0.00 0.00 57.07 56.16 1mm4 s TYR 47 Cb -0.21 -2.78 -0.09 0.00 0.35 0.00 0.00 41.96 39.23 1mm4 s TYR 47 CO -0.01 0.01 1.00 -0.80 -1.34 0.00 0.00 175.55 174.41 1mm4 s ASN 48 N -2.09 6.55 -0.52 4.32 0.01 -1.26 -5.00 114.94 116.95 1mm4 s ASN 48 Ca 0.57 1.81 -0.22 0.00 -0.71 0.00 0.00 52.86 54.32 1mm4 s ASN 48 Cb -0.11 -2.55 0.05 0.00 0.41 0.00 0.00 41.25 39.05 1mm4 s ASN 48 CO 0.16 -0.63 0.79 -1.61 -1.51 0.00 0.00 177.10 174.30 1mm4 s GLU 49 N -3.32 3.24 -0.01 -0.60 0.41 -1.26 -5.03 118.70 112.14 1mm4 s GLU 49 Ca 0.65 -0.53 0.03 0.00 -0.41 0.00 0.00 54.97 54.71 1mm4 s GLU 49 Cb -0.13 -4.06 -0.01 0.00 -1.78 0.00 0.00 34.13 28.15 1mm4 s GLU 49 CO 0.19 -1.34 -0.10 0.50 -0.49 0.00 0.00 175.26 174.02 1mm4 s ARG 50 N 3.32 0.89 1.07 1.61 3.52 -1.26 -5.16 118.95 122.95 1mm4 s ARG 50 Ca 0.24 -0.36 -0.16 0.00 -0.13 0.00 0.00 55.73 55.31 1mm4 s ARG 50 Cb -0.15 -0.85 0.23 0.00 -1.56 0.00 0.00 34.95 32.61 1mm4 s ARG 50 CO 0.16 0.20 1.16 -1.25 -0.81 0.00 0.00 175.30 174.77 1mm4 s PRO 51 N -0.15 -0.18 -0.02 5.12 0.04 -1.26 -5.03 135.00 133.53 1mm4 s PRO 51 Ca 0.02 -0.03 0.13 0.00 0.04 0.00 0.00 61.00 61.17 1mm4 s PRO 51 Cb -0.05 -1.72 0.23 0.00 0.04 0.00 0.00 34.50 33.00 1mm4 s PRO 51 CO -0.00 -3.02 1.10 1.87 0.04 0.00 0.00 177.00 176.98 1mm4 n TRP 52 N -4.28 -0.02 -4.81 0.56 -0.00 -1.26 -4.98 117.44 102.64 1mm4 n TRP 52 Ca 0.12 -0.58 0.00 0.00 -0.00 0.00 0.00 57.50 57.03 1mm4 n TRP 52 Cb 0.59 0.20 0.00 0.00 -0.00 0.00 0.00 31.31 32.10 1mm4 n TRP 52 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1mm4 n GLY 53 N 0.18 0.57 0.00 5.87 0.00 -1.26 -4.80 105.19 105.74 1mm4 n GLY 53 Ca -0.11 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1mm4 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mm4 n GLY 54 N 0.00 -1.58 3.57 -0.02 0.00 -1.07 -4.99 105.19 101.10 1mm4 n GLY 54 Ca 0.00 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 1mm4 n GLY 54 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mm4 s GLY 55 N 0.00 1.73 -0.17 -0.02 0.00 -1.00 -1.88 107.32 105.98 1mm4 s GLY 55 Ca 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 44.72 43.74 1mm4 s GLY 55 CO 0.00 -0.43 0.43 -0.12 0.00 0.00 0.00 173.10 172.98 1mm4 s PHE 56 N -0.40 -0.52 0.00 1.90 5.36 0.41 -1.28 117.98 123.45 1mm4 s PHE 56 Ca 0.06 1.22 0.00 0.00 -0.96 0.00 0.00 56.93 57.25 1mm4 s PHE 56 Cb -0.12 0.20 0.00 0.00 -0.34 0.00 0.00 43.02 42.76 1mm4 s PHE 56 CO 0.02 -0.27 0.00 0.41 -1.46 0.00 0.00 175.22 173.92 1mm4 n GLY 57 N 3.28 2.31 3.29 13.12 0.00 -0.77 -0.43 105.19 126.00 1mm4 n GLY 57 Ca -0.16 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 1mm4 n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mm4 s LEU 58 N 0.00 1.69 0.18 0.99 1.02 -0.78 -0.43 118.68 121.35 1mm4 s LEU 58 Ca 0.00 -1.71 -0.02 0.00 0.02 0.00 0.00 54.13 52.42 1mm4 s LEU 58 Cb 0.00 0.49 -0.04 0.00 0.02 0.00 0.00 46.19 46.66 1mm4 s LEU 58 CO 0.00 -1.03 0.13 -0.94 0.02 0.00 0.00 176.35 174.54 1mm4 s SER 59 N -3.36 0.18 0.12 2.29 1.04 -1.21 -1.19 113.70 111.57 1mm4 s SER 59 Ca 0.39 -1.28 -0.14 0.00 0.48 0.00 0.00 55.95 55.41 1mm4 s SER 59 Cb 0.03 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.54 1mm4 s SER 59 CO 0.25 -0.82 0.35 -0.60 0.98 0.00 0.00 173.24 173.40 1mm4 s ARG 60 N -4.10 1.04 -0.10 4.02 3.52 -0.60 -4.37 118.95 118.35 1mm4 s ARG 60 Ca 0.32 -0.80 -0.04 0.00 -0.13 0.00 0.00 55.73 55.08 1mm4 s ARG 60 Cb 0.07 0.44 -0.04 0.00 -1.56 0.00 0.00 34.95 33.86 1mm4 s ARG 60 CO 0.08 -0.39 0.05 -0.46 -0.81 0.00 0.00 175.30 173.76 1mm4 s TRP 61 N -3.83 3.30 -0.21 5.12 -0.11 -1.26 -1.68 118.94 120.26 1mm4 s TRP 61 Ca 0.05 0.28 -0.05 0.00 1.22 0.00 0.00 56.10 57.59 1mm4 s TRP 61 Cb 0.02 -1.86 -0.02 0.00 -1.50 0.00 0.00 33.47 30.11 1mm4 s TRP 61 CO -0.11 0.52 0.01 0.34 -4.62 0.00 0.00 176.95 173.09 1mm4 s ASP 62 N -0.81 4.83 0.59 5.86 -1.08 0.43 -4.92 116.67 121.57 1mm4 s ASP 62 Ca 0.13 -0.22 0.39 0.00 -0.52 0.00 0.00 52.55 52.33 1mm4 s ASP 62 Cb -0.12 -1.83 2.12 0.00 -1.46 0.00 0.00 42.92 41.63 1mm4 s ASP 62 CO 0.03 0.05 2.19 -0.33 0.52 0.00 0.00 175.17 177.62 1mm4 h GLU 63 N 7.63 0.00 -0.90 4.34 4.39 -1.99 -0.93 114.58 127.12 1mm4 h GLU 63 Ca -0.37 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.13 1mm4 h GLU 63 Cb 1.18 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.70 1mm4 h GLU 63 CO 0.61 0.00 0.26 1.17 -1.16 0.00 0.00 179.01 179.88 1mm4 n LYS 64 N -2.88 2.47 -2.84 2.33 4.81 -1.26 -4.86 118.16 115.93 1mm4 n LYS 64 Ca -0.03 -1.97 -0.10 0.00 -0.87 0.00 0.00 58.31 55.35 1mm4 n LYS 64 Cb 0.07 -1.85 0.05 0.00 0.02 0.00 0.00 35.03 33.32 1mm4 n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mm4 n GLY 65 N -0.18 0.02 3.20 3.14 0.00 -0.38 -5.05 105.19 105.94 1mm4 n GLY 65 Ca 0.30 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 1mm4 n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mm4 s ASN 66 N -3.66 1.63 -0.34 1.61 2.47 -1.08 -4.89 114.94 110.68 1mm4 s ASN 66 Ca 0.05 -0.86 0.01 0.00 0.42 0.00 0.00 52.86 52.49 1mm4 s ASN 66 Cb -0.02 -0.01 0.10 0.00 -1.45 0.00 0.00 41.25 39.87 1mm4 s ASN 66 CO 0.40 -0.26 0.10 0.86 -3.72 0.00 0.00 177.10 174.48 1mm4 s TRP 67 N -2.58 2.56 0.15 0.43 -0.00 -0.81 -0.43 118.94 118.26 1mm4 s TRP 67 Ca 0.09 -2.32 -0.30 0.00 -0.00 0.00 0.00 56.10 53.56 1mm4 s TRP 67 Cb -0.02 -2.23 -0.08 0.00 -0.00 0.00 0.00 33.47 31.15 1mm4 s TRP 67 CO 0.01 -0.89 1.25 -1.58 -0.00 0.00 0.00 176.95 175.74 1mm4 s HIS 68 N 1.18 3.36 -0.18 5.86 5.65 -0.68 -2.58 115.29 127.90 1mm4 s HIS 68 Ca 0.11 1.27 -0.04 0.00 0.25 0.00 0.00 55.06 56.65 1mm4 s HIS 68 Cb -0.19 -3.51 0.06 0.00 -1.18 0.00 0.00 32.58 27.77 1mm4 s HIS 68 CO -0.16 -1.56 0.07 0.20 -0.65 0.00 0.00 174.74 172.64 1mm4 s GLY 69 N 0.55 0.51 -0.23 1.59 0.00 -0.95 -1.56 107.32 107.23 1mm4 s GLY 69 Ca 0.57 -0.48 -0.08 0.00 0.00 0.00 0.00 44.72 44.73 1mm4 s GLY 69 CO 0.34 1.59 0.09 -2.27 0.00 0.00 0.00 173.10 172.86 1mm4 s LEU 70 N 2.01 3.74 -0.16 0.66 0.20 -0.34 -2.30 118.68 122.50 1mm4 s LEU 70 Ca 0.01 -0.04 0.01 0.00 0.69 0.00 0.00 54.13 54.81 1mm4 s LEU 70 Cb -0.16 -1.99 0.01 0.00 -0.43 0.00 0.00 46.19 43.62 1mm4 s LEU 70 CO -0.09 0.05 -0.20 -0.72 -0.29 0.00 0.00 176.35 175.11 1mm4 s TYR 71 N 1.10 2.73 -0.24 5.38 1.13 -0.84 -1.86 117.35 124.76 1mm4 s TYR 71 Ca 0.05 -1.37 0.01 0.00 -1.41 0.00 0.00 57.07 54.35 1mm4 s TYR 71 Cb -0.14 -1.87 0.06 0.00 -1.10 0.00 0.00 41.96 38.91 1mm4 s TYR 71 CO 0.04 -0.65 -0.07 0.00 -2.51 0.00 0.00 175.55 172.36 1mm4 s ALA 72 N 0.98 2.11 0.55 9.51 0.00 0.43 -0.90 121.76 134.44 1mm4 s ALA 72 Ca -0.03 -1.46 0.08 0.00 0.00 0.00 0.00 51.96 50.55 1mm4 s ALA 72 Cb -0.15 -1.47 0.06 0.00 0.00 0.00 0.00 23.12 21.56 1mm4 s ALA 72 CO -0.05 -1.19 0.58 -1.64 0.00 0.00 0.00 175.76 173.46 1mm4 s MET 73 N 1.32 2.30 -0.05 0.00 -1.94 -0.95 -0.44 119.30 119.55 1mm4 s MET 73 Ca -0.07 -1.81 -0.30 0.00 -1.71 0.00 0.00 55.69 51.80 1mm4 s MET 73 Cb -0.19 -2.38 0.07 0.00 2.01 0.00 0.00 34.83 34.34 1mm4 s MET 73 CO -0.06 -0.70 0.67 0.00 -0.01 0.00 0.00 175.02 174.92 1mm4 s ALA 74 N -2.70 -1.74 -0.04 3.03 0.00 -0.79 -2.18 121.76 117.34 1mm4 s ALA 74 Ca 0.48 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.72 1mm4 s ALA 74 Cb -0.04 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.12 1mm4 s ALA 74 CO 0.30 -0.37 -0.01 -0.06 0.00 0.00 0.00 175.76 175.62 1mm4 s PHE 75 N -1.24 0.46 -0.72 0.00 0.08 -1.07 -2.59 117.98 112.90 1mm4 s PHE 75 Ca -0.11 -0.06 -0.20 0.00 0.12 0.00 0.00 56.93 56.68 1mm4 s PHE 75 Cb -0.00 -0.53 0.10 0.00 -0.57 0.00 0.00 43.02 42.02 1mm4 s PHE 75 CO 0.09 -0.18 0.94 0.15 -0.10 0.00 0.00 175.22 176.12 1mm4 s LYS 76 N 1.19 3.24 0.58 0.44 3.01 -1.26 -1.55 119.74 125.39 1mm4 s LYS 76 Ca -0.07 -1.27 -0.18 0.00 -1.01 0.00 0.00 55.97 53.44 1mm4 s LYS 76 Cb -0.13 -4.44 -0.04 0.00 -1.01 0.00 0.00 37.83 32.21 1mm4 s LYS 76 CO -0.02 -1.72 1.12 0.16 0.51 0.00 0.00 175.35 175.40 1mm4 s ASP 77 N 3.61 5.53 0.65 2.83 1.47 -1.26 -4.90 116.67 124.59 1mm4 s ASP 77 Ca 0.22 2.10 0.40 0.00 1.18 0.00 0.00 52.55 56.45 1mm4 s ASP 77 Cb -0.15 -2.57 2.22 0.00 -0.34 0.00 0.00 42.92 42.08 1mm4 s ASP 77 CO 0.03 -1.35 2.31 0.77 0.68 0.00 0.00 175.17 177.61 1mm4 h SER 78 N 0.79 0.00 0.06 2.11 4.64 -1.96 -3.11 113.55 116.08 1mm4 h SER 78 Ca -0.49 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1mm4 h SER 78 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1mm4 h SER 78 CO 0.56 0.00 -0.08 -0.25 -0.87 0.00 0.00 176.83 176.19 1mm4 h TRP 79 N 0.00 -0.23 0.00 4.77 2.91 -2.02 -3.48 115.95 117.90 1mm4 h TRP 79 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.03 1mm4 h TRP 79 Cb 0.06 0.09 0.00 0.00 -0.51 0.00 0.00 29.16 28.80 1mm4 h TRP 79 CO 0.00 -0.10 0.00 0.09 -1.03 0.00 0.00 178.44 177.40 1mm4 n ASN 80 N -2.82 0.00 -4.85 2.65 4.13 -1.18 -5.15 115.26 108.05 1mm4 n ASN 80 Ca -0.02 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.93 1mm4 n ASN 80 Cb 0.07 0.03 -0.04 0.00 -1.54 0.00 0.00 39.78 38.30 1mm4 n ASN 80 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1mm4 s LYS 81 N -0.39 3.90 0.31 3.52 2.20 -1.26 -4.74 119.74 123.27 1mm4 s LYS 81 Ca 0.00 0.79 -0.03 0.00 -0.36 0.00 0.00 55.97 56.37 1mm4 s LYS 81 Cb 0.00 -2.23 -0.04 0.00 -1.51 0.00 0.00 37.83 34.04 1mm4 s LYS 81 CO 0.00 -0.17 0.54 1.67 -0.36 0.00 0.00 175.35 177.04 1mm4 s TRP 82 N -2.50 3.49 -0.21 4.03 -2.14 -1.26 -4.06 118.94 116.29 1mm4 s TRP 82 Ca 0.56 0.53 -0.07 0.00 2.66 0.00 0.00 56.10 59.78 1mm4 s TRP 82 Cb -0.10 -2.02 -0.03 0.00 -3.10 0.00 0.00 33.47 28.22 1mm4 s TRP 82 CO 0.30 0.16 0.04 -1.21 -2.66 0.00 0.00 176.95 173.58 1mm4 s GLU 83 N -3.82 3.75 0.77 3.25 2.02 -0.59 -4.92 118.70 119.16 1mm4 s GLU 83 Ca 0.42 -0.45 -0.10 0.00 0.02 0.00 0.00 54.97 54.86 1mm4 s GLU 83 Cb -0.10 -3.21 0.08 0.00 0.10 0.00 0.00 34.13 31.00 1mm4 s GLU 83 CO 0.32 0.03 1.12 -1.25 0.02 0.00 0.00 175.26 175.50 1mm4 s PRO 84 N 1.00 1.98 -0.25 0.39 0.04 -1.26 -2.60 135.00 134.30 1mm4 s PRO 84 Ca 0.03 -0.09 -0.07 0.00 0.04 0.00 0.00 61.00 60.91 1mm4 s PRO 84 Cb -0.14 -2.04 0.12 0.00 0.04 0.00 0.00 34.50 32.48 1mm4 s PRO 84 CO 0.03 -1.49 0.53 -1.50 0.04 0.00 0.00 177.00 174.60 1mm4 s ILE 85 N -3.45 -0.82 0.08 0.56 2.07 -0.93 -4.69 121.20 114.02 1mm4 s ILE 85 Ca 0.62 0.06 -0.10 0.00 -1.41 0.00 0.00 60.65 59.82 1mm4 s ILE 85 Cb -0.10 -0.85 -0.06 0.00 0.13 0.00 0.00 42.46 41.58 1mm4 s ILE 85 CO 0.47 0.02 0.41 0.00 -1.91 0.00 0.00 174.94 173.93 1mm4 s ALA 86 N 2.75 3.72 -0.02 1.50 0.00 -1.07 -2.23 121.76 126.41 1mm4 s ALA 86 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 1mm4 s ALA 86 Cb -0.13 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 20.72 1mm4 s ALA 86 CO -0.16 0.56 0.04 0.20 0.00 0.00 0.00 175.76 176.39 1mm4 s GLY 87 N -1.73 0.02 -0.14 0.00 0.00 -0.08 -1.00 107.32 104.38 1mm4 s GLY 87 Ca 0.33 0.20 -0.02 0.00 0.00 0.00 0.00 44.72 45.22 1mm4 s GLY 87 CO 0.18 0.34 0.03 -0.19 0.00 0.00 0.00 173.10 173.46 1mm4 s TYR 88 N 0.45 0.78 0.20 1.90 1.51 0.43 -1.98 117.35 120.64 1mm4 s TYR 88 Ca -0.04 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 55.52 1mm4 s TYR 88 Cb -0.05 -0.90 -0.05 0.00 -0.11 0.00 0.00 41.96 40.85 1mm4 s TYR 88 CO -0.01 -0.49 0.05 0.20 -1.11 0.00 0.00 175.55 174.19 1mm4 s GLY 89 N 1.94 1.42 -0.04 0.71 0.00 -0.97 -1.75 107.32 108.62 1mm4 s GLY 89 Ca 0.02 -1.70 0.01 0.00 0.00 0.00 0.00 44.72 43.05 1mm4 s GLY 89 CO -0.07 -1.54 -0.03 0.66 0.00 0.00 0.00 173.10 172.12 1mm4 s TRP 90 N -3.74 0.62 0.04 1.90 1.48 -0.70 -2.24 118.94 116.30 1mm4 s TRP 90 Ca 0.30 -0.15 0.00 0.00 -1.06 0.00 0.00 56.10 55.20 1mm4 s TRP 90 Cb 0.07 -0.61 -0.03 0.00 -1.16 0.00 0.00 33.47 31.74 1mm4 s TRP 90 CO 0.08 -0.19 -0.04 -1.83 -4.06 0.00 0.00 176.95 170.91 1mm4 s GLU 91 N 1.05 0.47 -0.19 3.25 1.03 -1.06 -2.59 118.70 120.65 1mm4 s GLU 91 Ca -0.09 -0.84 -0.06 0.00 0.03 0.00 0.00 54.97 54.01 1mm4 s GLU 91 Cb -0.14 0.01 -0.03 0.00 -0.80 0.00 0.00 34.13 33.17 1mm4 s GLU 91 CO -0.01 -0.04 0.02 -1.12 -1.33 0.00 0.00 175.26 172.79 1mm4 s SER 92 N -1.94 5.11 -0.06 0.83 0.01 -0.74 -1.93 113.70 114.99 1mm4 s SER 92 Ca -0.07 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.10 1mm4 s SER 92 Cb -0.05 -1.87 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 1mm4 s SER 92 CO -0.03 0.10 -0.07 0.42 0.41 0.00 0.00 173.24 174.07 1mm4 s THR 93 N 0.78 3.66 -0.05 1.44 -4.23 -1.26 -2.46 115.64 113.52 1mm4 s THR 93 Ca 0.01 -0.53 0.05 0.00 -1.18 0.00 0.00 61.69 60.04 1mm4 s THR 93 Cb -0.14 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.19 1mm4 s THR 93 CO 0.02 0.57 -0.19 0.86 -0.54 0.00 0.00 174.62 175.34 1mm4 s TRP 94 N -0.83 1.92 0.19 3.99 -0.00 -0.55 -4.94 118.94 118.72 1mm4 s TRP 94 Ca 0.13 -0.56 0.09 0.00 -0.00 0.00 0.00 56.10 55.76 1mm4 s TRP 94 Cb -0.11 -1.28 -0.04 0.00 -0.00 0.00 0.00 33.47 32.04 1mm4 s TRP 94 CO 0.02 -0.18 -0.07 -0.98 -0.00 0.00 0.00 176.95 175.74 1mm4 s ARG 95 N -0.02 2.15 0.83 5.86 1.04 -1.26 -2.53 118.95 125.02 1mm4 s ARG 95 Ca -0.04 -1.26 -0.11 0.00 -1.04 0.00 0.00 55.73 53.28 1mm4 s ARG 95 Cb -0.12 -2.20 0.09 0.00 -2.04 0.00 0.00 34.95 30.69 1mm4 s ARG 95 CO 0.03 0.43 1.09 -1.25 -0.04 0.00 0.00 175.30 175.56 1mm4 s PRO 96 N -2.95 1.76 -1.25 3.89 0.04 -1.26 -4.95 135.00 130.29 1mm4 s PRO 96 Ca 0.26 1.01 -0.10 0.00 0.04 0.00 0.00 61.00 62.22 1mm4 s PRO 96 Cb -0.09 -1.85 0.18 0.00 0.04 0.00 0.00 34.50 32.79 1mm4 s PRO 96 CO 0.16 -1.94 1.75 1.47 0.04 0.00 0.00 177.00 178.48 1mm4 n LEU 97 N -3.71 6.37 0.00 -3.56 -0.00 -1.26 -3.95 117.00 110.89 1mm4 n LEU 97 Ca 0.08 -4.68 0.00 0.00 -0.00 0.00 0.00 56.01 51.41 1mm4 n LEU 97 Cb 0.54 -1.48 0.00 0.00 -0.00 0.00 0.00 43.42 42.48 1mm4 n LEU 97 CO 0.54 1.30 0.00 0.00 -0.00 0.00 0.00 177.39 179.23 1mm4 n ALA 98 N 3.89 0.00 -3.24 1.47 0.00 -1.26 -5.15 120.51 116.22 1mm4 n ALA 98 Ca 0.38 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.68 1mm4 n ALA 98 Cb 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.73 1mm4 n ALA 98 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1mm4 s ASP 99 N -1.07 -0.21 -0.55 0.00 -1.08 -1.25 -5.05 116.67 107.46 1mm4 s ASP 99 Ca 0.00 0.14 -0.01 0.00 -0.52 0.00 0.00 52.55 52.17 1mm4 s ASP 99 Cb 0.00 0.35 0.45 0.00 -1.46 0.00 0.00 42.92 42.26 1mm4 s ASP 99 CO 0.00 -0.42 1.99 -0.62 0.52 0.00 0.00 175.17 176.63 1mm4 n GLU 100 N 1.41 2.42 -0.09 4.34 1.02 -1.26 -4.21 120.64 124.27 1mm4 n GLU 100 Ca -0.21 -2.89 -0.11 0.00 -0.02 0.00 0.00 57.16 53.93 1mm4 n GLU 100 Cb 0.56 -2.13 -0.04 0.00 -0.02 0.00 0.00 31.44 29.81 1mm4 n GLU 100 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1mm4 n ASN 101 N -0.74 1.89 -4.72 1.62 5.15 -1.26 -4.93 115.26 112.26 1mm4 n ASN 101 Ca 0.56 0.44 -0.42 0.00 -0.60 0.00 0.00 54.58 54.56 1mm4 n ASN 101 Cb 0.86 -0.81 -0.03 0.00 -0.53 0.00 0.00 39.78 39.26 1mm4 n ASN 101 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1mm4 s PHE 102 N -2.60 3.49 -0.01 1.20 0.08 -1.26 -4.05 117.98 114.83 1mm4 s PHE 102 Ca -0.26 1.42 0.01 0.00 0.12 0.00 0.00 56.93 58.23 1mm4 s PHE 102 Cb 0.05 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 1mm4 s PHE 102 CO 0.38 -1.01 -0.04 -3.38 -0.10 0.00 0.00 175.22 171.08 1mm4 s HIS 103 N 0.55 0.41 -0.11 0.36 -3.43 -0.61 -4.25 115.29 108.22 1mm4 s HIS 103 Ca 0.55 -0.07 -0.04 0.00 -0.80 0.00 0.00 55.06 54.70 1mm4 s HIS 103 Cb -0.29 -0.31 0.06 0.00 -1.43 0.00 0.00 32.58 30.61 1mm4 s HIS 103 CO 0.32 -0.04 0.21 -1.17 -2.00 0.00 0.00 174.74 172.06 1mm4 s LEU 104 N 0.14 -0.18 0.26 5.38 0.20 -1.05 -1.91 118.68 121.52 1mm4 s LEU 104 Ca -0.01 0.45 -0.16 0.00 0.69 0.00 0.00 54.13 55.10 1mm4 s LEU 104 Cb -0.05 0.48 0.01 0.00 -0.43 0.00 0.00 46.19 46.20 1mm4 s LEU 104 CO -0.00 -0.24 0.58 -0.83 -0.29 0.00 0.00 176.35 175.56 1mm4 s GLY 105 N 2.35 0.32 0.12 7.98 0.00 -0.91 -1.48 107.32 115.70 1mm4 s GLY 105 Ca 0.02 -0.68 -0.07 0.00 0.00 0.00 0.00 44.72 44.00 1mm4 s GLY 105 CO -0.07 -0.42 0.19 1.08 0.00 0.00 0.00 173.10 173.88 1mm4 s LEU 106 N -2.99 1.37 0.00 0.66 1.02 -1.03 -1.99 118.68 115.72 1mm4 s LEU 106 Ca 0.18 -0.86 0.00 0.00 0.02 0.00 0.00 54.13 53.47 1mm4 s LEU 106 Cb -0.03 0.92 0.00 0.00 0.02 0.00 0.00 46.19 47.10 1mm4 s LEU 106 CO 0.09 -0.79 0.00 0.61 0.02 0.00 0.00 176.35 176.28 1mm4 n GLY 107 N -0.12 0.63 3.45 -3.19 0.00 -0.82 -1.80 105.19 103.34 1mm4 n GLY 107 Ca -0.10 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 1mm4 n GLY 107 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mm4 s PHE 108 N -2.74 2.59 -0.27 1.61 0.40 -1.07 -2.06 117.98 116.43 1mm4 s PHE 108 Ca 0.00 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.09 1mm4 s PHE 108 Cb 0.00 -1.52 0.05 0.00 0.51 0.00 0.00 43.02 42.06 1mm4 s PHE 108 CO 0.00 0.20 -0.06 0.95 0.70 0.00 0.00 175.22 177.01 1mm4 s THR 109 N -0.83 2.62 -0.20 0.64 -4.23 -0.90 -1.73 115.64 111.01 1mm4 s THR 109 Ca 0.13 -1.42 -0.01 0.00 -1.18 0.00 0.00 61.69 59.21 1mm4 s THR 109 Cb -0.10 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.26 1mm4 s THR 109 CO 0.03 -0.02 -0.14 0.00 -0.54 0.00 0.00 174.62 173.95 1mm4 s ALA 110 N 1.20 2.50 0.45 3.99 0.00 -0.72 -2.06 121.76 127.13 1mm4 s ALA 110 Ca -0.06 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.72 1mm4 s ALA 110 Cb -0.19 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 1mm4 s ALA 110 CO -0.03 -0.39 0.09 0.20 0.00 0.00 0.00 175.76 175.62 1mm4 s GLY 111 N 1.35 2.81 0.01 0.00 0.00 0.44 -0.43 107.32 111.50 1mm4 s GLY 111 Ca 0.05 -0.86 -0.01 0.00 0.00 0.00 0.00 44.72 43.91 1mm4 s GLY 111 CO -0.10 -1.97 -0.01 -1.34 0.00 0.00 0.00 173.10 169.69 1mm4 s VAL 112 N -3.08 0.08 -0.11 1.40 -7.23 -0.17 -0.66 120.40 110.63 1mm4 s VAL 112 Ca 0.16 -0.70 0.03 0.00 -1.81 0.00 0.00 61.98 59.66 1mm4 s VAL 112 Cb 0.02 -0.23 0.00 0.00 0.56 0.00 0.00 36.38 36.73 1mm4 s VAL 112 CO 0.10 -0.39 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.38 1mm4 s THR 113 N -1.15 2.08 -0.02 5.32 2.01 -1.00 -2.59 115.64 120.30 1mm4 s THR 113 Ca -0.13 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 60.87 1mm4 s THR 113 Cb -0.08 -1.80 0.02 0.00 0.01 0.00 0.00 72.50 70.66 1mm4 s THR 113 CO -0.01 0.56 0.02 0.00 -0.69 0.00 0.00 174.62 174.51 1mm4 s ALA 114 N 0.47 0.07 1.06 7.40 0.00 -1.26 -1.06 121.76 128.44 1mm4 s ALA 114 Ca -0.16 0.26 -0.13 0.00 0.00 0.00 0.00 51.96 51.93 1mm4 s ALA 114 Cb -0.17 -0.21 0.22 0.00 0.00 0.00 0.00 23.12 22.96 1mm4 s ALA 114 CO 0.06 -0.09 1.08 1.03 0.00 0.00 0.00 175.76 177.84 1mm4 s ARG 115 N 0.90 -0.05 -0.16 0.00 1.81 -1.26 -4.86 118.95 115.33 1mm4 s ARG 115 Ca -0.08 0.53 0.11 0.00 -1.72 0.00 0.00 55.73 54.58 1mm4 s ARG 115 Cb -0.11 -1.68 -0.17 0.00 -0.45 0.00 0.00 34.95 32.54 1mm4 s ARG 115 CO -0.02 -3.06 0.01 -3.47 -0.68 0.00 0.00 175.30 168.07 1mm4 n ASP 116 N -4.41 1.52 0.07 0.23 -0.08 -1.26 -4.48 116.55 108.14 1mm4 n ASP 116 Ca 0.05 -0.02 -0.03 0.00 -1.51 0.00 0.00 54.79 53.28 1mm4 n ASP 116 Cb 0.57 0.65 0.20 0.00 2.34 0.00 0.00 41.12 44.87 1mm4 n ASP 116 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1mm4 h ASN 117 N 0.00 0.33 -3.28 1.67 4.21 -2.03 -3.46 115.58 113.02 1mm4 h ASN 117 Ca -0.41 -0.14 -0.20 0.00 1.21 0.00 0.00 56.30 56.76 1mm4 h ASN 117 Cb 1.88 -0.09 -0.05 0.00 -1.12 0.00 0.00 38.32 38.94 1mm4 h ASN 117 CO 0.01 0.70 -0.12 -2.67 -1.29 0.00 0.00 177.43 174.06 1mm4 n TRP 118 N -4.03 -1.08 -3.48 1.19 2.14 -1.26 -5.17 117.44 105.75 1mm4 n TRP 118 Ca -0.01 -1.62 0.01 0.00 2.07 0.00 0.00 57.50 57.94 1mm4 n TRP 118 Cb 0.48 0.36 -0.04 0.00 -0.81 0.00 0.00 31.31 31.31 1mm4 n TRP 118 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1mm4 s ASN 119 N -2.48 -0.90 0.00 -0.67 2.20 -1.26 -4.17 114.94 107.65 1mm4 s ASN 119 Ca 0.20 1.13 0.00 0.00 -0.94 0.00 0.00 52.86 53.26 1mm4 s ASN 119 Cb -0.01 1.98 0.00 0.00 -2.00 0.00 0.00 41.25 41.23 1mm4 s ASN 119 CO 0.15 -0.17 0.00 0.00 -2.94 0.00 0.00 177.10 174.13 1mm4 n TYR 120 N 5.25 -0.16 -3.81 1.54 9.36 -1.26 -5.06 117.16 123.02 1mm4 n TYR 120 Ca -0.10 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.83 1mm4 n TYR 120 Cb 0.51 0.37 -0.14 0.00 -0.63 0.00 0.00 39.34 39.45 1mm4 n TYR 120 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1mm4 s ILE 121 N -0.73 1.70 1.08 2.97 1.09 -1.26 -5.12 121.20 120.92 1mm4 s ILE 121 Ca 0.00 -2.51 -0.15 0.00 -1.10 0.00 0.00 60.65 56.90 1mm4 s ILE 121 Cb 0.00 -2.21 0.23 0.00 -1.06 0.00 0.00 42.46 39.42 1mm4 s ILE 121 CO 0.00 -0.80 0.51 -2.65 -0.10 0.00 0.00 174.94 171.90 1mm4 n PRO 122 N 3.76 -2.88 -3.75 2.79 -0.02 -1.26 -4.99 135.00 128.65 1mm4 n PRO 122 Ca 0.05 -0.86 -0.29 0.00 -2.02 0.00 0.00 63.50 60.38 1mm4 n PRO 122 Cb 0.36 -1.54 -0.13 0.00 -0.02 0.00 0.00 33.50 32.17 1mm4 n PRO 122 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1mm4 s LEU 123 N -1.36 3.03 0.62 2.45 2.96 -0.23 -4.92 118.68 121.24 1mm4 s LEU 123 Ca 0.40 -2.79 -0.17 0.00 -0.22 0.00 0.00 54.13 51.35 1mm4 s LEU 123 Cb -0.07 -1.14 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 1mm4 s LEU 123 CO 0.33 -0.24 1.12 -2.16 -1.32 0.00 0.00 176.35 174.08 1mm4 s PRO 124 N 0.11 2.97 -0.15 0.98 0.04 -1.26 -2.37 135.00 135.31 1mm4 s PRO 124 Ca 0.19 1.48 -0.06 0.00 0.04 0.00 0.00 61.00 62.65 1mm4 s PRO 124 Cb -0.22 -1.96 0.07 0.00 0.04 0.00 0.00 34.50 32.43 1mm4 s PRO 124 CO -0.02 -1.14 0.33 0.08 0.04 0.00 0.00 177.00 176.30 1mm4 s VAL 125 N -2.13 -0.39 -0.08 -0.36 1.01 0.17 -4.96 120.40 113.66 1mm4 s VAL 125 Ca 0.69 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.89 1mm4 s VAL 125 Cb -0.22 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.65 1mm4 s VAL 125 CO 0.37 0.08 -0.10 -1.48 0.00 0.00 0.00 175.10 173.97 1mm4 s LEU 126 N 2.19 1.45 -0.02 3.92 2.34 -1.26 -0.42 118.68 126.88 1mm4 s LEU 126 Ca -0.03 -0.29 -0.12 0.00 0.06 0.00 0.00 54.13 53.75 1mm4 s LEU 126 Cb -0.11 -0.81 0.02 0.00 -0.56 0.00 0.00 46.19 44.72 1mm4 s LEU 126 CO -0.10 -0.03 0.26 -0.76 -1.06 0.00 0.00 176.35 174.65 1mm4 s LEU 127 N 1.10 1.06 0.33 1.48 1.43 -0.87 -4.99 118.68 118.21 1mm4 s LEU 127 Ca -0.06 0.04 -0.28 0.00 -1.03 0.00 0.00 54.13 52.80 1mm4 s LEU 127 Cb -0.14 1.07 -0.10 0.00 0.03 0.00 0.00 46.19 47.05 1mm4 s LEU 127 CO -0.01 -0.39 1.20 -2.16 0.23 0.00 0.00 176.35 175.21 1mm4 s PRO 128 N -1.21 4.36 -0.04 1.29 0.04 -1.26 -2.12 135.00 136.06 1mm4 s PRO 128 Ca -0.13 1.97 -0.18 0.00 0.04 0.00 0.00 61.00 62.70 1mm4 s PRO 128 Cb -0.06 -2.99 0.03 0.00 0.04 0.00 0.00 34.50 31.53 1mm4 s PRO 128 CO 0.03 -0.09 0.40 -1.17 0.04 0.00 0.00 177.00 176.21 1mm4 s LEU 129 N -1.89 0.50 0.00 -3.56 0.20 -0.88 -2.59 118.68 110.47 1mm4 s LEU 129 Ca 0.50 0.29 0.01 0.00 0.69 0.00 0.00 54.13 55.62 1mm4 s LEU 129 Cb -0.34 1.54 -0.01 0.00 -0.43 0.00 0.00 46.19 46.95 1mm4 s LEU 129 CO 0.45 -0.45 0.05 0.00 -0.29 0.00 0.00 176.35 176.11 1mm4 n ALA 130 N 1.35 0.48 -3.55 5.97 0.00 0.43 -1.94 120.51 123.25 1mm4 n ALA 130 Ca -0.20 -2.21 -0.00 0.00 0.00 0.00 0.00 53.44 51.02 1mm4 n ALA 130 Cb 0.56 1.30 -0.04 0.00 0.00 0.00 0.00 19.45 21.28 1mm4 n ALA 130 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1mm4 s SER 131 N -3.70 -0.89 -0.05 0.00 1.04 -0.84 -2.48 113.70 106.79 1mm4 s SER 131 Ca 0.07 1.24 -0.03 0.00 0.48 0.00 0.00 55.95 57.71 1mm4 s SER 131 Cb 0.00 1.98 0.02 0.00 0.10 0.00 0.00 66.02 68.13 1mm4 s SER 131 CO 0.05 -0.17 0.11 0.54 0.98 0.00 0.00 173.24 174.75 1mm4 s VAL 132 N 2.63 -0.03 -3.74 5.02 0.11 0.44 -2.14 120.40 122.70 1mm4 s VAL 132 Ca -0.05 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1mm4 s VAL 132 Cb -0.09 -0.18 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 1mm4 s VAL 132 CO -0.18 0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.24 1mm4 n GLY 133 N 3.68 -0.59 3.12 6.54 0.00 -0.80 -0.44 105.19 116.70 1mm4 n GLY 133 Ca -0.20 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 1mm4 n GLY 133 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mm4 s TYR 134 N -3.00 -0.09 0.00 1.61 1.13 -0.27 -1.57 117.35 115.17 1mm4 s TYR 134 Ca 0.00 0.17 0.00 0.00 -1.41 0.00 0.00 57.07 55.83 1mm4 s TYR 134 Cb 0.00 0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.88 1mm4 s TYR 134 CO 0.00 -0.24 0.00 0.41 -2.51 0.00 0.00 175.55 173.21 1mm4 n GLY 135 N 1.94 1.70 0.21 5.49 0.00 -1.26 -2.22 105.19 111.06 1mm4 n GLY 135 Ca -0.19 -0.50 0.15 0.00 0.00 0.00 0.00 46.02 45.48 1mm4 n GLY 135 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mm4 h PRO 136 N 0.00 0.00 -5.26 1.61 0.13 -1.95 -3.41 132.00 123.12 1mm4 h PRO 136 Ca 0.00 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.47 1mm4 h PRO 136 Cb 0.00 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 30.97 1mm4 h PRO 136 CO 0.00 0.00 0.01 0.08 -0.23 0.00 0.00 178.00 177.86 1mm4 s VAL 137 N -3.56 4.94 -0.04 1.56 1.01 -0.94 -3.44 120.40 119.93 1mm4 s VAL 137 Ca 0.02 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 1mm4 s VAL 137 Cb 0.09 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.41 1mm4 s VAL 137 CO 0.44 -0.42 0.02 -0.89 0.00 0.00 0.00 175.10 174.25 1mm4 s THR 138 N 2.55 0.12 -0.24 3.92 2.01 -1.06 -1.11 115.64 121.82 1mm4 s THR 138 Ca 0.19 0.22 -0.18 0.00 0.31 0.00 0.00 61.69 62.23 1mm4 s THR 138 Cb -0.15 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 1mm4 s THR 138 CO 0.16 0.19 0.52 -0.36 -0.69 0.00 0.00 174.62 174.44 1mm4 s PHE 139 N 1.66 3.30 -0.08 4.92 0.08 0.42 -1.28 117.98 127.00 1mm4 s PHE 139 Ca -0.01 0.70 -0.03 0.00 0.12 0.00 0.00 56.93 57.71 1mm4 s PHE 139 Cb -0.13 -2.71 -0.03 0.00 -0.57 0.00 0.00 43.02 39.58 1mm4 s PHE 139 CO -0.03 -0.22 0.04 -0.65 -0.10 0.00 0.00 175.22 174.25 1mm4 s GLN 140 N 2.09 3.07 -0.16 0.44 -0.21 -0.15 -0.42 119.66 124.34 1mm4 s GLN 140 Ca 0.22 -0.36 -0.03 0.00 0.02 0.00 0.00 55.36 55.21 1mm4 s GLN 140 Cb -0.16 -2.87 -0.02 0.00 1.00 0.00 0.00 33.01 30.96 1mm4 s GLN 140 CO 0.09 0.71 -0.05 -1.64 -2.12 0.00 0.00 175.29 172.28 1mm4 s MET 141 N -1.00 3.62 -0.13 2.91 -1.94 -1.03 -0.98 119.30 120.74 1mm4 s MET 141 Ca 0.15 -0.55 -0.00 0.00 -1.71 0.00 0.00 55.69 53.57 1mm4 s MET 141 Cb -0.12 -2.88 -0.02 0.00 2.01 0.00 0.00 34.83 33.83 1mm4 s MET 141 CO 0.04 0.21 -0.12 0.99 -0.01 0.00 0.00 175.02 176.12 1mm4 s THR 142 N 0.43 3.10 -0.21 2.05 2.01 -0.16 -0.43 115.64 122.43 1mm4 s THR 142 Ca -0.05 -0.64 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 1mm4 s THR 142 Cb -0.14 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 1mm4 s THR 142 CO 0.03 0.52 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.16 1mm4 s TYR 143 N 0.34 3.01 -0.03 4.92 2.02 -1.07 -1.88 117.35 124.65 1mm4 s TYR 143 Ca -0.11 -0.62 0.04 0.00 -0.37 0.00 0.00 57.07 56.01 1mm4 s TYR 143 Cb -0.16 -2.10 -0.00 0.00 -0.40 0.00 0.00 41.96 39.30 1mm4 s TYR 143 CO 0.06 -0.36 -0.14 0.42 -1.57 0.00 0.00 175.55 173.96 1mm4 s ILE 144 N 1.22 1.18 0.15 2.71 1.01 -1.26 -4.32 121.20 121.89 1mm4 s ILE 144 Ca 0.03 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.80 1mm4 s ILE 144 Cb -0.15 -1.03 -0.07 0.00 0.01 0.00 0.00 42.46 41.23 1mm4 s ILE 144 CO 0.01 0.35 1.16 -2.16 0.00 0.00 0.00 174.94 174.30 1mm4 s PRO 145 N 0.07 4.51 0.00 2.79 0.04 -1.26 -4.90 135.00 136.25 1mm4 s PRO 145 Ca -0.03 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1mm4 s PRO 145 Cb -0.10 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1mm4 s PRO 145 CO 0.01 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.38 1mm4 n GLY 146 N 2.44 0.44 0.75 0.56 0.00 -1.26 -5.02 105.19 103.11 1mm4 n GLY 146 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1mm4 n GLY 146 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mm4 n THR 147 N 0.00 0.00 -2.04 2.61 -1.04 -1.26 -4.97 114.28 107.58 1mm4 n THR 147 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1mm4 n THR 147 Cb 0.00 -0.75 -0.02 0.00 -1.82 0.00 0.00 70.33 67.74 1mm4 n THR 147 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mm4 n TYR 148 N -2.50 -0.34 -3.24 -1.42 4.11 -1.26 -5.10 117.16 107.42 1mm4 n TYR 148 Ca 0.00 -0.58 0.03 0.00 -0.00 0.00 0.00 57.90 57.36 1mm4 n TYR 148 Cb 0.31 0.63 -0.02 0.00 -0.00 0.00 0.00 39.34 40.26 1mm4 n TYR 148 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1mm4 s ASN 149 N -0.78 -1.25 0.46 9.48 4.22 -1.26 -5.17 114.94 120.64 1mm4 s ASN 149 Ca 0.01 0.94 0.07 0.00 -2.14 0.00 0.00 52.86 51.74 1mm4 s ASN 149 Cb 0.07 2.11 -0.01 0.00 1.28 0.00 0.00 41.25 44.71 1mm4 s ASN 149 CO -0.02 -0.23 0.36 0.21 -2.04 0.00 0.00 177.10 175.37 1mm4 s ASN 150 N 2.86 4.80 0.00 3.54 2.47 -1.26 -4.54 114.94 122.81 1mm4 s ASN 150 Ca 0.14 -0.96 0.00 0.00 0.42 0.00 0.00 52.86 52.46 1mm4 s ASN 150 Cb -0.14 -0.24 0.00 0.00 -1.45 0.00 0.00 41.25 39.42 1mm4 s ASN 150 CO -0.20 -0.78 0.00 0.61 -3.72 0.00 0.00 177.10 173.01 1mm4 n GLY 151 N -1.57 1.01 1.72 1.21 0.00 -1.26 -4.91 105.19 101.40 1mm4 n GLY 151 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1mm4 n GLY 151 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mm4 n ASN 152 N 1.00 0.00 -4.68 1.61 5.15 -1.26 -5.10 115.26 111.98 1mm4 n ASN 152 Ca 0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 1mm4 n ASN 152 Cb 0.29 0.43 -0.03 0.00 -0.53 0.00 0.00 39.78 39.95 1mm4 n ASN 152 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1mm4 s VAL 153 N -1.90 4.02 -0.01 3.44 -7.23 -1.26 -5.01 120.40 112.45 1mm4 s VAL 153 Ca 0.00 1.32 0.01 0.00 -1.81 0.00 0.00 61.98 61.50 1mm4 s VAL 153 Cb 0.00 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 33.09 1mm4 s VAL 153 CO 0.00 -0.05 -0.02 -0.72 -0.31 0.00 0.00 175.10 174.00 1mm4 s TYR 154 N 2.87 0.24 0.13 2.82 -0.85 -1.26 -4.72 117.35 116.59 1mm4 s TYR 154 Ca 0.60 -0.03 0.11 0.00 -0.52 0.00 0.00 57.07 57.22 1mm4 s TYR 154 Cb -0.27 -0.19 -0.04 0.00 0.38 0.00 0.00 41.96 41.84 1mm4 s TYR 154 CO 0.22 -0.03 -0.25 -0.06 -1.52 0.00 0.00 175.55 173.92 1mm4 s PHE 155 N 0.14 2.37 0.32 -3.49 0.08 -0.79 -5.05 117.98 111.55 1mm4 s PHE 155 Ca -0.01 -0.35 0.05 0.00 0.12 0.00 0.00 56.93 56.74 1mm4 s PHE 155 Cb -0.03 -1.27 -0.06 0.00 -0.57 0.00 0.00 43.02 41.08 1mm4 s PHE 155 CO -0.00 0.36 0.01 0.00 -0.10 0.00 0.00 175.22 175.48 1mm4 s ALA 156 N -1.11 2.50 -0.27 5.36 0.00 -1.26 -0.99 121.76 125.99 1mm4 s ALA 156 Ca 0.15 -2.05 -0.24 0.00 0.00 0.00 0.00 51.96 49.83 1mm4 s ALA 156 Cb -0.10 0.40 0.08 0.00 0.00 0.00 0.00 23.12 23.49 1mm4 s ALA 156 CO 0.07 -0.19 0.75 -0.46 0.00 0.00 0.00 175.76 175.93 1mm4 s TRP 157 N -3.09 -0.79 -0.01 0.00 -0.11 -0.15 -4.77 118.94 110.03 1mm4 s TRP 157 Ca 0.34 1.87 -0.18 0.00 1.22 0.00 0.00 56.10 59.35 1mm4 s TRP 157 Cb 0.07 0.31 -0.06 0.00 -1.50 0.00 0.00 33.47 32.30 1mm4 s TRP 157 CO 0.15 -0.38 0.51 1.41 -4.62 0.00 0.00 176.95 174.01 1mm4 s MET 158 N 0.48 4.17 -0.02 5.86 -2.45 -0.93 -0.98 119.30 125.44 1mm4 s MET 158 Ca -0.01 0.58 0.07 0.00 -1.25 0.00 0.00 55.69 55.08 1mm4 s MET 158 Cb -0.05 -3.30 -0.02 0.00 1.25 0.00 0.00 34.83 32.72 1mm4 s MET 158 CO -0.02 0.49 -0.23 0.50 1.05 0.00 0.00 175.02 176.81 1mm4 s ARG 159 N -0.52 1.97 -0.03 4.11 3.52 -0.41 -2.59 118.95 124.99 1mm4 s ARG 159 Ca 0.27 -0.83 -0.01 0.00 -0.13 0.00 0.00 55.73 55.03 1mm4 s ARG 159 Cb -0.17 -1.85 0.03 0.00 -1.56 0.00 0.00 34.95 31.39 1mm4 s ARG 159 CO 0.15 0.47 0.06 0.12 -0.81 0.00 0.00 175.30 175.30 1mm4 s PHE 160 N -0.47 -0.01 -0.30 5.12 2.19 -0.94 -2.58 117.98 120.99 1mm4 s PHE 160 Ca 0.07 0.24 -0.09 0.00 0.33 0.00 0.00 56.93 57.48 1mm4 s PHE 160 Cb -0.10 -0.25 -0.01 0.00 -1.31 0.00 0.00 43.02 41.35 1mm4 s PHE 160 CO -0.00 -0.13 0.13 -0.65 1.83 0.00 0.00 175.22 176.40 1mm4 s GLN 161 N 1.34 3.38 0.35 10.12 -0.21 -1.22 -0.44 119.66 132.99 1mm4 s GLN 161 Ca -0.06 -0.68 0.06 0.00 0.02 0.00 0.00 55.36 54.69 1mm4 s GLN 161 Cb -0.13 -3.51 -0.03 0.00 1.00 0.00 0.00 33.01 30.34 1mm4 s GLN 161 CO -0.04 -0.38 0.22 0.12 -2.12 0.00 0.00 175.29 173.10 1mm4 s PHE 162 N 1.61 1.73 0.33 0.91 5.36 -0.72 -4.76 117.98 122.45 1mm4 s PHE 162 Ca 0.05 -1.52 0.10 0.00 -0.96 0.00 0.00 56.93 54.59 1mm4 s PHE 162 Cb -0.17 -0.86 -0.06 0.00 -0.34 0.00 0.00 43.02 41.59 1mm4 s PHE 162 CO 0.06 -0.66 -0.10 -0.51 -1.46 0.00 0.00 175.22 172.54 1mm4 s LEU 163 N -3.44 2.74 -0.75 6.12 1.43 -1.26 -1.64 118.68 121.87 1mm4 s LEU 163 Ca 0.35 -1.15 -0.06 0.00 -1.03 0.00 0.00 54.13 52.24 1mm4 s LEU 163 Cb 0.03 -1.06 0.19 0.00 0.03 0.00 0.00 46.19 45.38 1mm4 s LEU 163 CO 0.22 -0.17 0.62 -0.70 0.23 0.00 0.00 176.35 176.56 1mm4 s GLU 164 N -3.61 3.06 0.64 1.70 2.56 -1.26 -5.03 118.70 116.76 1mm4 s GLU 164 Ca 0.32 -2.68 -0.18 0.00 0.00 0.00 0.00 54.97 52.43 1mm4 s GLU 164 Cb 0.01 -4.00 -0.01 0.00 2.00 0.00 0.00 34.13 32.12 1mm4 s GLU 164 CO 0.17 -1.23 1.29 -3.38 -0.56 0.00 0.00 175.26 171.56 1mm4 s HIS 165 N -0.29 2.09 -0.33 5.30 -3.43 -1.26 -4.84 115.29 112.54 1mm4 s HIS 165 Ca 0.20 1.48 -0.27 0.00 -0.80 0.00 0.00 55.06 55.66 1mm4 s HIS 165 Cb -0.15 -3.70 -0.06 0.00 -1.43 0.00 0.00 32.58 27.25 1mm4 s HIS 165 CO -0.07 -2.91 2.30 -3.38 -2.00 0.00 0.00 174.74 168.68 1mm4 s HIS 166 N -1.39 1.12 0.03 0.38 -3.43 -1.26 -4.84 115.29 105.90 1mm4 s HIS 166 Ca 0.82 0.97 -0.23 0.00 -0.80 0.00 0.00 55.06 55.82 1mm4 s HIS 166 Cb -0.37 -3.78 -0.16 0.00 -1.43 0.00 0.00 32.58 26.83 1mm4 s HIS 166 CO 0.40 -3.44 1.41 1.25 -2.00 0.00 0.00 174.74 172.36 1mm4 h HIS 167 N 16.95 0.16 0.00 0.38 2.76 -2.04 -3.46 115.15 129.90 1mm4 h HIS 167 Ca -0.34 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 1mm4 h HIS 167 Cb 1.25 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.17 1mm4 h HIS 167 CO 0.95 0.46 0.00 0.72 -1.30 0.00 0.00 177.93 178.76 1mm4 n HIS 168 N -4.81 -3.83 -3.73 5.26 8.25 -1.26 -5.17 115.22 109.93 1mm4 n HIS 168 Ca -0.07 1.05 -0.01 0.00 -0.26 0.00 0.00 57.72 58.43 1mm4 n HIS 168 Cb 0.22 2.72 -0.00 0.00 1.12 0.00 0.00 29.99 34.05 1mm4 n HIS 168 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1mm4 n HIS 169 N -3.15 -0.37 0.99 4.41 -0.00 -1.26 -5.30 115.22 110.53 1mm4 n HIS 169 Ca 0.00 -0.19 0.12 0.00 -0.00 0.00 0.00 57.72 57.65 1mm4 n HIS 169 Cb 0.00 0.04 0.10 0.00 -0.00 0.00 0.00 29.99 30.12 1mm4 n HIS 169 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92