#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mm4 n ASN 2 N 0.00 3.00 0.26 6.12 5.03 -1.26 -4.92 115.26 123.49 1mm4 n ASN 2 Ca 0.00 -3.21 0.18 0.00 0.87 0.00 0.00 54.58 52.42 1mm4 n ASN 2 Cb 0.00 -0.75 0.88 0.00 -1.02 0.00 0.00 39.78 38.89 1mm4 n ASN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1mm4 h ALA 3 N 5.32 1.54 0.11 5.41 0.00 -2.04 0.76 119.26 130.37 1mm4 h ALA 3 Ca 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1mm4 h ALA 3 Cb 0.75 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1mm4 h ALA 3 CO 0.72 -0.31 -0.05 0.22 0.00 0.00 0.00 179.25 179.82 1mm4 h ASP 4 N 0.00 -0.13 0.80 0.00 -0.00 -1.99 -1.66 116.42 113.44 1mm4 h ASP 4 Ca 0.06 -0.24 -0.07 0.00 -0.00 0.00 0.00 57.03 56.77 1mm4 h ASP 4 Cb 0.55 0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 39.90 1mm4 h ASP 4 CO -0.00 0.46 -0.34 -0.33 -0.00 0.00 0.00 179.24 179.03 1mm4 h GLU 5 N -0.99 0.00 0.01 0.28 4.39 -1.85 -2.95 114.58 113.46 1mm4 h GLU 5 Ca -0.02 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.48 1mm4 h GLU 5 Cb 0.36 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1mm4 h GLU 5 CO 0.02 0.34 -0.97 2.35 -1.16 0.00 0.00 179.01 179.59 1mm4 h TRP 6 N 0.00 0.06 -0.30 4.33 2.91 0.42 -3.27 115.95 120.10 1mm4 h TRP 6 Ca -0.00 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.98 1mm4 h TRP 6 Cb 0.83 -0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.46 1mm4 h TRP 6 CO 0.00 0.98 0.20 0.52 -1.03 0.00 0.00 178.44 179.11 1mm4 h MET 7 N 0.01 0.40 -1.01 2.65 2.86 -1.12 0.17 114.93 118.90 1mm4 h MET 7 Ca -0.02 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1mm4 h MET 7 Cb 1.70 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 33.22 1mm4 h MET 7 CO 0.13 0.28 0.67 1.79 1.06 0.00 0.00 176.91 180.83 1mm4 h THR 8 N 0.41 1.24 -0.01 2.22 1.35 -1.64 -0.68 112.91 115.79 1mm4 h THR 8 Ca 0.11 -0.46 -0.15 0.00 -0.55 0.00 0.00 66.41 65.36 1mm4 h THR 8 Cb -0.04 -0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 66.14 1mm4 h THR 8 CO -0.02 0.24 -0.69 0.71 -0.25 0.00 0.00 175.52 175.51 1mm4 h THR 9 N 1.34 1.47 0.15 6.82 1.35 -1.51 -2.83 112.91 119.70 1mm4 h THR 9 Ca 0.38 -2.29 -0.01 0.00 -0.55 0.00 0.00 66.41 63.94 1mm4 h THR 9 Cb -0.12 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1mm4 h THR 9 CO -0.09 0.66 -0.07 0.15 -0.25 0.00 0.00 175.52 175.92 1mm4 h PHE 10 N 0.05 -0.18 -0.10 4.73 3.57 0.12 -1.18 116.94 123.95 1mm4 h PHE 10 Ca -0.01 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1mm4 h PHE 10 Cb 1.22 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 1mm4 h PHE 10 CO 0.01 0.22 0.07 0.00 -2.23 0.00 0.00 178.31 176.37 1mm4 h ARG 11 N -0.64 0.07 -0.03 1.11 2.47 -1.22 -1.19 114.38 114.94 1mm4 h ARG 11 Ca -0.02 -0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.58 1mm4 h ARG 11 Cb 0.48 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.79 1mm4 h ARG 11 CO 0.03 0.05 -0.42 0.93 0.56 0.00 0.00 179.97 181.12 1mm4 h GLU 12 N 0.07 0.34 -0.79 0.04 4.39 -1.43 -1.77 114.58 115.43 1mm4 h GLU 12 Ca 0.04 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 1mm4 h GLU 12 Cb 0.07 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 1mm4 h GLU 12 CO -0.01 0.99 0.41 -0.91 -1.16 0.00 0.00 179.01 178.34 1mm4 h ASN 13 N -0.19 1.00 0.65 1.42 2.35 -0.72 -1.50 115.58 118.61 1mm4 h ASN 13 Ca -0.04 -0.11 -0.14 0.00 -0.55 0.00 0.00 56.30 55.46 1mm4 h ASN 13 Cb 1.11 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 1mm4 h ASN 13 CO 0.08 0.83 -0.66 0.40 -1.65 0.00 0.00 177.43 176.44 1mm4 h ILE 14 N 1.10 1.47 0.30 2.81 2.04 -1.30 -2.74 117.51 121.19 1mm4 h ILE 14 Ca 0.28 -2.25 -0.01 0.00 1.00 0.00 0.00 64.86 63.87 1mm4 h ILE 14 Cb 0.06 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1mm4 h ILE 14 CO -0.04 0.64 -0.14 0.00 0.00 0.00 0.00 178.15 178.61 1mm4 h ALA 15 N 1.34 -0.40 -0.17 1.87 0.00 -0.83 -2.09 119.26 118.98 1mm4 h ALA 15 Ca -0.01 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1mm4 h ALA 15 Cb 1.16 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1mm4 h ALA 15 CO 0.09 -0.51 0.11 1.96 0.00 0.00 0.00 179.25 180.90 1mm4 h GLN 16 N -0.83 0.20 -0.00 0.00 4.20 -1.36 -0.93 115.11 116.39 1mm4 h GLN 16 Ca -0.04 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 1mm4 h GLN 16 Cb 0.52 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1mm4 h GLN 16 CO 0.07 0.13 -0.61 1.79 -0.67 0.00 0.00 178.83 179.54 1mm4 h THR 17 N 0.21 1.44 -0.02 -0.54 1.35 -1.45 -1.60 112.91 112.30 1mm4 h THR 17 Ca 0.06 -2.10 -0.13 0.00 -0.55 0.00 0.00 66.41 63.70 1mm4 h THR 17 Cb 0.01 2.13 0.01 0.00 -1.73 0.00 0.00 68.15 68.57 1mm4 h THR 17 CO -0.01 0.60 -0.50 -0.50 -0.25 0.00 0.00 175.52 174.85 1mm4 h TRP 18 N 0.00 0.55 0.00 4.73 4.06 -0.47 -3.23 115.95 121.60 1mm4 h TRP 18 Ca -0.01 -0.28 0.00 0.00 2.06 0.00 0.00 58.89 60.66 1mm4 h TRP 18 Cb 1.08 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.17 1mm4 h TRP 18 CO 0.00 1.08 0.00 -0.56 -3.56 0.00 0.00 178.44 175.40 1mm4 h GLN 19 N -0.14 0.00 0.40 0.49 3.07 -1.37 -3.30 115.11 114.26 1mm4 h GLN 19 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.67 1mm4 h GLN 19 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.74 1mm4 h GLN 19 CO 0.10 0.00 -0.46 0.37 0.09 0.00 0.00 178.83 178.93 1mm4 h GLN 20 N 0.00 -0.85 0.00 0.06 4.15 -1.30 -3.44 115.11 113.74 1mm4 h GLN 20 Ca 0.00 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1mm4 h GLN 20 Cb 0.66 0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.54 1mm4 h GLN 20 CO 0.00 -0.56 0.00 -0.35 -1.93 0.00 0.00 178.83 175.99 1mm4 n PRO 21 N -5.20 -0.59 -2.18 -2.39 -0.04 -1.24 -4.89 135.00 118.45 1mm4 n PRO 21 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1mm4 n PRO 21 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 1mm4 n PRO 21 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1mm4 n GLU 22 N -1.19 -4.58 -3.79 0.54 1.02 -1.26 -5.05 120.64 106.32 1mm4 n GLU 22 Ca 0.00 3.38 -0.13 0.00 -0.02 0.00 0.00 57.16 60.40 1mm4 n GLU 22 Cb 0.00 -4.21 -0.14 0.00 -0.02 0.00 0.00 31.44 27.07 1mm4 n GLU 22 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1mm4 s HIS 23 N -0.53 -0.14 -0.02 -0.32 3.76 -1.26 -4.96 115.29 111.83 1mm4 s HIS 23 Ca 0.00 0.38 -0.19 0.00 -0.15 0.00 0.00 55.06 55.10 1mm4 s HIS 23 Cb 0.00 -0.02 -0.05 0.00 1.11 0.00 0.00 32.58 33.62 1mm4 s HIS 23 CO 0.00 -0.11 0.54 0.71 -0.85 0.00 0.00 174.74 175.03 1mm4 s TYR 24 N 0.55 3.67 -0.12 1.40 1.51 -0.98 -4.12 117.35 119.25 1mm4 s TYR 24 Ca -0.04 1.11 0.00 0.00 -1.01 0.00 0.00 57.07 57.14 1mm4 s TYR 24 Cb -0.06 -2.53 0.02 0.00 -0.11 0.00 0.00 41.96 39.28 1mm4 s TYR 24 CO -0.02 0.39 -0.12 -0.51 -1.11 0.00 0.00 175.55 174.18 1mm4 s ASP 25 N -0.29 2.41 -0.11 2.29 1.11 -0.70 -2.59 116.67 118.78 1mm4 s ASP 25 Ca 0.29 -0.40 0.03 0.00 0.18 0.00 0.00 52.55 52.64 1mm4 s ASP 25 Cb -0.18 -1.02 -0.00 0.00 1.07 0.00 0.00 42.92 42.79 1mm4 s ASP 25 CO 0.15 -0.06 -0.21 -0.76 1.18 0.00 0.00 175.17 175.47 1mm4 s LEU 26 N 1.44 2.26 -0.21 1.23 1.02 -0.98 -2.58 118.68 120.86 1mm4 s LEU 26 Ca 0.02 -0.50 0.01 0.00 0.02 0.00 0.00 54.13 53.68 1mm4 s LEU 26 Cb -0.13 -1.47 0.05 0.00 0.02 0.00 0.00 46.19 44.66 1mm4 s LEU 26 CO -0.08 0.15 -0.08 -0.31 0.02 0.00 0.00 176.35 176.05 1mm4 s TYR 27 N 0.40 2.38 -0.00 0.29 1.51 -1.04 -2.39 117.35 118.50 1mm4 s TYR 27 Ca -0.16 -1.63 0.00 0.00 -1.01 0.00 0.00 57.07 54.27 1mm4 s TYR 27 Cb -0.17 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 1mm4 s TYR 27 CO 0.07 -0.75 0.00 0.96 -1.11 0.00 0.00 175.55 174.72 1mm4 s ILE 28 N 1.40 -0.00 0.98 2.71 -4.36 -1.04 -1.85 121.20 119.04 1mm4 s ILE 28 Ca -0.03 0.03 -0.13 0.00 -0.26 0.00 0.00 60.65 60.26 1mm4 s ILE 28 Cb -0.17 -0.02 0.07 0.00 1.25 0.00 0.00 42.46 43.59 1mm4 s ILE 28 CO -0.07 0.01 0.49 -2.65 0.24 0.00 0.00 174.94 172.96 1mm4 n PRO 29 N 3.21 -0.57 -0.02 0.37 -0.02 -1.26 -1.54 135.00 135.16 1mm4 n PRO 29 Ca -0.14 -0.13 -0.10 0.00 -2.02 0.00 0.00 63.50 61.11 1mm4 n PRO 29 Cb 0.59 -1.93 -0.14 0.00 -0.02 0.00 0.00 33.50 32.00 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 -3.86 1.43 -2.87 3.55 0.00 -1.25 -4.44 120.51 113.07 1mm4 n ALA 30 Ca 0.07 -0.77 -0.34 0.00 0.00 0.00 0.00 53.44 52.39 1mm4 n ALA 30 Cb 0.54 -0.81 -0.11 0.00 0.00 0.00 0.00 19.45 19.08 1mm4 n ALA 30 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1mm4 s ILE 31 N -2.59 4.29 0.03 0.00 1.01 -1.26 -4.96 121.20 117.72 1mm4 s ILE 31 Ca -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1mm4 s ILE 31 Cb 0.08 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.66 1mm4 s ILE 31 CO 0.82 0.50 0.00 0.35 0.00 0.00 0.00 174.94 176.61 1mm4 n THR 32 N 3.33 0.00 -3.62 2.92 -2.24 -1.26 -5.16 114.28 108.26 1mm4 n THR 32 Ca -0.17 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 1mm4 n THR 32 Cb 0.53 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.62 1mm4 n THR 32 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1mm4 s TRP 33 N -1.09 -0.44 -0.38 4.78 -0.00 -1.26 -5.14 118.94 115.41 1mm4 s TRP 33 Ca 0.00 0.98 -0.12 0.00 -0.00 0.00 0.00 56.10 56.96 1mm4 s TRP 33 Cb 0.00 0.39 0.03 0.00 -0.00 0.00 0.00 33.47 33.89 1mm4 s TRP 33 CO 0.00 -0.27 0.22 -1.01 -0.00 0.00 0.00 176.95 175.90 1mm4 s HIS 34 N -0.21 3.24 -0.01 5.86 3.76 -1.26 -4.88 115.29 121.80 1mm4 s HIS 34 Ca 0.02 -0.88 -0.00 0.00 -0.15 0.00 0.00 55.06 54.05 1mm4 s HIS 34 Cb -0.04 -2.47 -0.01 0.00 1.11 0.00 0.00 32.58 31.18 1mm4 s HIS 34 CO -0.04 -0.63 -0.01 0.00 -0.85 0.00 0.00 174.74 173.21 1mm4 n ALA 35 N 5.03 2.21 -2.88 -1.40 0.00 -1.26 -5.03 120.51 117.17 1mm4 n ALA 35 Ca -0.12 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 1mm4 n ALA 35 Cb 0.46 0.48 0.03 0.00 0.00 0.00 0.00 19.45 20.42 1mm4 n ALA 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1mm4 n ARG 36 N -2.65 -4.20 -1.04 0.00 0.63 -1.26 -4.89 116.66 103.25 1mm4 n ARG 36 Ca -0.02 0.91 0.01 0.00 -0.92 0.00 0.00 57.85 57.83 1mm4 n ARG 36 Cb 0.52 -5.68 0.14 0.00 0.45 0.00 0.00 32.46 27.89 1mm4 n ARG 36 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1mm4 n PHE 37 N -4.40 0.41 -2.17 -0.14 3.72 -1.26 -5.05 117.46 108.57 1mm4 n PHE 37 Ca -0.14 -1.43 -0.43 0.00 -0.05 0.00 0.00 57.45 55.41 1mm4 n PHE 37 Cb 0.63 -0.24 -0.02 0.00 -0.94 0.00 0.00 39.48 38.90 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 -2.70 3.54 -0.04 4.37 0.00 -1.26 -4.98 121.76 120.69 1mm4 s ALA 38 Ca 0.39 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 1mm4 s ALA 38 Cb 0.38 -3.73 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1mm4 s ALA 38 CO -0.07 -1.47 0.99 0.71 0.00 0.00 0.00 175.76 175.91 1mm4 s TYR 39 N 4.16 3.60 -0.70 0.00 1.51 -1.26 -4.97 117.35 119.70 1mm4 s TYR 39 Ca 0.67 1.65 -0.26 0.00 -1.01 0.00 0.00 57.07 58.12 1mm4 s TYR 39 Cb -0.27 -3.14 -0.01 0.00 -0.11 0.00 0.00 41.96 38.42 1mm4 s TYR 39 CO 0.25 -0.09 1.74 0.34 -1.11 0.00 0.00 175.55 176.68 1mm4 s ASP 40 N 1.04 5.48 0.21 2.29 3.68 -1.26 -4.35 116.67 123.76 1mm4 s ASP 40 Ca 0.50 -0.06 0.00 0.00 2.13 0.00 0.00 52.55 55.12 1mm4 s ASP 40 Cb -0.20 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.73 1mm4 s ASP 40 CO 0.24 -2.29 0.00 0.29 0.13 0.00 0.00 175.17 173.54 1mm4 n LYS 41 N 9.16 0.00 -2.45 4.34 5.02 -1.26 -5.14 118.16 127.83 1mm4 n LYS 41 Ca 0.21 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.47 1mm4 n LYS 41 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.50 1mm4 n LYS 41 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1mm4 n GLU 42 N -2.95 -4.97 -3.95 1.97 1.02 -1.26 -5.08 120.64 105.42 1mm4 n GLU 42 Ca 0.00 3.66 -0.09 0.00 -0.02 0.00 0.00 57.16 60.70 1mm4 n GLU 42 Cb 0.00 -4.89 -0.06 0.00 -0.02 0.00 0.00 31.44 26.48 1mm4 n GLU 42 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1mm4 s LYS 43 N -0.65 1.38 0.01 3.49 2.20 -1.26 -5.17 119.74 119.74 1mm4 s LYS 43 Ca -0.13 -1.18 0.06 0.00 -0.36 0.00 0.00 55.97 54.36 1mm4 s LYS 43 Cb 0.01 0.44 -0.02 0.00 -1.51 0.00 0.00 37.83 36.75 1mm4 s LYS 43 CO 0.34 -0.55 -0.17 0.99 -0.36 0.00 0.00 175.35 175.60 1mm4 s THR 44 N -3.99 1.36 0.38 3.43 2.01 -1.26 -5.15 115.64 112.42 1mm4 s THR 44 Ca 0.19 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1mm4 s THR 44 Cb 0.01 -1.16 0.04 0.00 0.01 0.00 0.00 72.50 71.40 1mm4 s THR 44 CO 0.04 0.28 0.30 0.47 -0.69 0.00 0.00 174.62 175.03 1mm4 n ASP 45 N 2.37 2.14 0.04 3.53 10.43 -1.26 -5.03 116.55 128.76 1mm4 n ASP 45 Ca -0.16 -2.28 -0.06 0.00 2.57 0.00 0.00 54.79 54.87 1mm4 n ASP 45 Cb 0.54 -0.05 0.12 0.00 1.84 0.00 0.00 41.12 43.57 1mm4 n ASP 45 CO 0.00 0.00 0.00 0.08 -1.07 0.00 0.00 177.20 176.21 1mm4 h ARG 46 N 0.00 0.42 -5.92 -1.24 0.11 -2.09 -3.42 114.38 102.25 1mm4 h ARG 46 Ca -0.23 -0.24 -0.58 0.00 0.10 0.00 0.00 59.98 59.02 1mm4 h ARG 46 Cb 0.87 0.02 -0.07 0.00 1.11 0.00 0.00 29.97 31.89 1mm4 h ARG 46 CO 0.36 0.82 0.50 1.52 0.10 0.00 0.00 179.97 183.27 1mm4 s TYR 47 N -4.05 3.36 0.77 4.08 1.13 -1.26 -5.03 117.35 116.36 1mm4 s TYR 47 Ca -0.06 1.26 -0.14 0.00 -1.41 0.00 0.00 57.07 56.72 1mm4 s TYR 47 Cb 0.12 -3.08 0.06 0.00 -1.10 0.00 0.00 41.96 37.97 1mm4 s TYR 47 CO 0.81 -0.35 1.20 1.21 -2.51 0.00 0.00 175.55 175.91 1mm4 s ASN 48 N 1.24 3.90 0.15 -0.18 2.47 -1.26 -4.96 114.94 116.29 1mm4 s ASN 48 Ca 0.38 2.32 -0.30 0.00 0.42 0.00 0.00 52.86 55.69 1mm4 s ASN 48 Cb -0.16 -2.58 -0.07 0.00 -1.45 0.00 0.00 41.25 36.99 1mm4 s ASN 48 CO 0.09 -2.46 1.02 -1.61 -3.72 0.00 0.00 177.10 170.43 1mm4 s GLU 49 N -4.09 4.66 -0.75 0.43 8.01 -1.26 -5.01 118.70 120.69 1mm4 s GLU 49 Ca 0.73 1.58 -0.10 0.00 0.01 0.00 0.00 54.97 57.18 1mm4 s GLU 49 Cb -0.28 -3.33 0.20 0.00 -4.31 0.00 0.00 34.13 26.41 1mm4 s GLU 49 CO 0.49 0.16 0.65 1.03 0.01 0.00 0.00 175.26 177.60 1mm4 s ARG 50 N -0.22 3.25 0.23 1.61 1.81 -1.26 -5.06 118.95 119.31 1mm4 s ARG 50 Ca 0.48 -2.46 -0.30 0.00 -1.72 0.00 0.00 55.73 51.73 1mm4 s ARG 50 Cb -0.26 -4.20 -0.09 0.00 -0.45 0.00 0.00 34.95 29.95 1mm4 s ARG 50 CO 0.32 -1.25 1.34 -1.25 -0.68 0.00 0.00 175.30 173.78 1mm4 s PRO 51 N 0.15 4.35 -0.15 3.54 0.04 -1.26 -4.94 135.00 136.73 1mm4 s PRO 51 Ca 0.17 2.14 0.14 0.00 0.04 0.00 0.00 61.00 63.49 1mm4 s PRO 51 Cb -0.14 -3.16 0.36 0.00 0.04 0.00 0.00 34.50 31.60 1mm4 s PRO 51 CO -0.07 -0.29 1.18 -2.67 0.04 0.00 0.00 177.00 175.20 1mm4 n TRP 52 N 2.34 0.00 -2.69 0.56 4.27 -1.26 -4.79 117.44 115.87 1mm4 n TRP 52 Ca 0.06 -1.17 -0.06 0.00 -3.89 0.00 0.00 57.50 52.44 1mm4 n TRP 52 Cb 0.42 -0.20 0.08 0.00 -1.36 0.00 0.00 31.31 30.25 1mm4 n TRP 52 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1mm4 n GLY 53 N -1.00 0.12 3.87 -1.67 0.00 -1.18 -1.23 105.19 104.10 1mm4 n GLY 53 Ca 0.16 0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.32 1mm4 n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mm4 s GLY 54 N -0.78 -0.19 0.08 -0.02 0.00 -0.93 -4.51 107.32 100.97 1mm4 s GLY 54 Ca 0.17 0.20 -0.01 0.00 0.00 0.00 0.00 44.72 45.08 1mm4 s GLY 54 CO -0.08 3.83 -0.01 -0.32 0.00 0.00 0.00 173.10 176.51 1mm4 s GLY 55 N -3.54 0.65 -0.12 0.20 0.00 -0.77 -1.95 107.32 101.78 1mm4 s GLY 55 Ca 0.25 -1.30 -0.11 0.00 0.00 0.00 0.00 44.72 43.55 1mm4 s GLY 55 CO -0.01 -1.36 0.32 -1.36 0.00 0.00 0.00 173.10 170.70 1mm4 s PHE 56 N -3.90 -0.36 0.00 1.90 0.08 -1.07 -2.50 117.98 112.13 1mm4 s PHE 56 Ca 0.12 0.88 0.00 0.00 0.12 0.00 0.00 56.93 58.05 1mm4 s PHE 56 Cb 0.07 0.12 0.00 0.00 -0.57 0.00 0.00 43.02 42.65 1mm4 s PHE 56 CO -0.06 -0.18 0.00 0.41 -0.10 0.00 0.00 175.22 175.29 1mm4 n GLY 57 N 2.96 0.95 3.88 4.36 0.00 -1.07 -1.98 105.19 114.30 1mm4 n GLY 57 Ca -0.13 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 1mm4 n GLY 57 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1mm4 s LEU 58 N 0.00 2.68 0.27 0.99 0.05 -0.59 -1.72 118.68 120.36 1mm4 s LEU 58 Ca 0.00 -1.28 -0.15 0.00 0.05 0.00 0.00 54.13 52.75 1mm4 s LEU 58 Cb 0.00 -1.16 0.01 0.00 -2.05 0.00 0.00 46.19 42.98 1mm4 s LEU 58 CO 0.00 -1.04 0.57 -0.44 -0.55 0.00 0.00 176.35 174.88 1mm4 s SER 59 N -4.22 -0.10 -0.11 1.48 0.01 -1.26 -1.87 113.70 107.64 1mm4 s SER 59 Ca 0.31 -0.87 -0.09 0.00 1.31 0.00 0.00 55.95 56.61 1mm4 s SER 59 Cb -0.02 0.65 0.03 0.00 0.21 0.00 0.00 66.02 66.89 1mm4 s SER 59 CO 0.19 -1.24 0.28 -0.13 0.41 0.00 0.00 173.24 172.76 1mm4 s ARG 60 N -3.87 0.31 -0.13 12.44 1.81 -0.15 -4.74 118.95 124.62 1mm4 s ARG 60 Ca 0.19 0.43 -0.05 0.00 -1.72 0.00 0.00 55.73 54.57 1mm4 s ARG 60 Cb -0.02 0.11 -0.04 0.00 -0.45 0.00 0.00 34.95 34.55 1mm4 s ARG 60 CO 0.09 -0.06 0.06 -0.46 -0.68 0.00 0.00 175.30 174.25 1mm4 s TRP 61 N 0.37 3.31 -0.25 -0.53 -0.00 -1.26 -2.00 118.94 118.58 1mm4 s TRP 61 Ca -0.02 0.23 -0.08 0.00 -0.00 0.00 0.00 56.10 56.24 1mm4 s TRP 61 Cb -0.03 -1.94 -0.03 0.00 -0.00 0.00 0.00 33.47 31.46 1mm4 s TRP 61 CO -0.02 0.42 0.08 0.34 -0.00 0.00 0.00 176.95 177.77 1mm4 s ASP 62 N -0.43 5.23 0.62 5.86 3.68 0.33 -4.96 116.67 127.00 1mm4 s ASP 62 Ca 0.10 -0.17 0.32 0.00 2.13 0.00 0.00 52.55 54.93 1mm4 s ASP 62 Cb -0.12 -1.94 1.79 0.00 -1.45 0.00 0.00 42.92 41.20 1mm4 s ASP 62 CO 0.02 -0.02 2.10 -0.33 0.13 0.00 0.00 175.17 177.07 1mm4 h GLU 63 N 8.14 0.00 0.00 4.34 3.07 -1.99 0.15 114.58 128.29 1mm4 h GLU 63 Ca -0.38 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.41 1mm4 h GLU 63 Cb 1.18 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 1mm4 h GLU 63 CO 0.58 0.00 -0.33 -0.22 -1.40 0.00 0.00 179.01 177.64 1mm4 h LYS 64 N 0.00 0.00 0.00 2.33 1.63 -2.04 -3.46 116.57 115.03 1mm4 h LYS 64 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1mm4 h LYS 64 Cb 0.47 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1mm4 h LYS 64 CO -0.00 0.33 0.00 0.41 -3.45 0.00 0.00 179.45 176.74 1mm4 n GLY 65 N 0.04 0.86 3.19 5.01 0.00 0.49 -5.16 105.19 109.62 1mm4 n GLY 65 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1mm4 n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mm4 s ASN 66 N -1.29 1.60 -0.27 1.61 0.01 -1.07 -4.47 114.94 111.05 1mm4 s ASN 66 Ca 0.00 -0.81 -0.04 0.00 -0.71 0.00 0.00 52.86 51.30 1mm4 s ASN 66 Cb 0.00 -0.01 0.10 0.00 0.41 0.00 0.00 41.25 41.74 1mm4 s ASN 66 CO 0.00 -0.23 0.13 0.86 -1.51 0.00 0.00 177.10 176.35 1mm4 s TRP 67 N -2.37 0.28 -0.13 2.20 -0.11 -0.76 -0.51 118.94 117.54 1mm4 s TRP 67 Ca 0.06 -0.78 -0.09 0.00 1.22 0.00 0.00 56.10 56.51 1mm4 s TRP 67 Cb -0.03 -0.86 -0.04 0.00 -1.50 0.00 0.00 33.47 31.03 1mm4 s TRP 67 CO 0.01 -0.79 0.18 -1.01 -4.62 0.00 0.00 176.95 170.72 1mm4 s HIS 68 N 2.11 3.57 -0.05 5.86 3.76 -0.85 -2.36 115.29 127.33 1mm4 s HIS 68 Ca 0.08 0.55 -0.02 0.00 -0.15 0.00 0.00 55.06 55.52 1mm4 s HIS 68 Cb -0.16 -2.05 0.04 0.00 1.11 0.00 0.00 32.58 31.51 1mm4 s HIS 68 CO -0.33 0.60 0.10 0.20 -0.85 0.00 0.00 174.74 174.46 1mm4 s GLY 69 N -0.65 0.09 -0.10 -2.22 0.00 -1.00 -0.98 107.32 102.46 1mm4 s GLY 69 Ca 0.15 0.42 0.03 0.00 0.00 0.00 0.00 44.72 45.32 1mm4 s GLY 69 CO 0.04 1.23 -0.22 -2.27 0.00 0.00 0.00 173.10 171.88 1mm4 s LEU 70 N 1.75 2.03 0.22 0.66 2.96 -0.78 -0.43 118.68 125.09 1mm4 s LEU 70 Ca -0.02 -0.53 -0.20 0.00 -0.22 0.00 0.00 54.13 53.16 1mm4 s LEU 70 Cb -0.12 -1.34 0.03 0.00 0.50 0.00 0.00 46.19 45.26 1mm4 s LEU 70 CO -0.04 0.12 0.62 -0.72 -1.32 0.00 0.00 176.35 175.01 1mm4 s TYR 71 N 0.49 -0.22 -0.35 5.38 1.13 -0.71 -1.54 117.35 121.54 1mm4 s TYR 71 Ca -0.16 -0.14 -0.07 0.00 -1.41 0.00 0.00 57.07 55.29 1mm4 s TYR 71 Cb -0.17 0.55 0.04 0.00 -1.10 0.00 0.00 41.96 41.27 1mm4 s TYR 71 CO 0.06 -1.04 0.13 0.00 -2.51 0.00 0.00 175.55 172.19 1mm4 s ALA 72 N -3.87 3.09 0.47 9.51 0.00 -0.84 -2.00 121.76 128.12 1mm4 s ALA 72 Ca 0.09 -1.75 0.08 0.00 0.00 0.00 0.00 51.96 50.37 1mm4 s ALA 72 Cb -0.03 -2.33 0.03 0.00 0.00 0.00 0.00 23.12 20.79 1mm4 s ALA 72 CO -0.01 -1.35 0.64 1.41 0.00 0.00 0.00 175.76 176.46 1mm4 s MET 73 N 1.43 2.67 -0.28 0.00 1.75 -0.66 -2.60 119.30 121.61 1mm4 s MET 73 Ca -0.01 -1.28 -0.23 0.00 -1.25 0.00 0.00 55.69 52.92 1mm4 s MET 73 Cb -0.19 -2.70 0.11 0.00 2.84 0.00 0.00 34.83 34.88 1mm4 s MET 73 CO 0.04 -0.46 0.92 0.00 -0.65 0.00 0.00 175.02 174.86 1mm4 s ALA 74 N -2.47 -1.95 -0.25 4.11 0.00 -0.82 -2.60 121.76 117.76 1mm4 s ALA 74 Ca 0.57 2.00 0.00 0.00 0.00 0.00 0.00 51.96 54.53 1mm4 s ALA 74 Cb -0.09 -1.41 0.07 0.00 0.00 0.00 0.00 23.12 21.69 1mm4 s ALA 74 CO 0.35 -0.29 0.01 -0.06 0.00 0.00 0.00 175.76 175.77 1mm4 s PHE 75 N 0.52 2.11 -0.08 0.00 0.08 -1.07 -2.19 117.98 117.35 1mm4 s PHE 75 Ca -0.00 -1.70 0.03 0.00 0.12 0.00 0.00 56.93 55.38 1mm4 s PHE 75 Cb -0.05 -1.63 0.01 0.00 -0.57 0.00 0.00 43.02 40.78 1mm4 s PHE 75 CO -0.07 -0.78 -0.16 0.15 -0.10 0.00 0.00 175.22 174.26 1mm4 s LYS 76 N 1.49 2.19 0.00 0.44 1.02 -0.36 -0.28 119.74 124.23 1mm4 s LYS 76 Ca 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1mm4 s LYS 76 Cb -0.18 -1.76 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 1mm4 s LYS 76 CO -0.11 0.05 0.00 -3.47 -0.92 0.00 0.00 175.35 170.90 1mm4 n ASP 77 N 3.81 0.00 0.02 2.83 -0.08 -1.26 -4.76 116.55 117.11 1mm4 n ASP 77 Ca -0.21 -0.93 -0.06 0.00 -1.51 0.00 0.00 54.79 52.08 1mm4 n ASP 77 Cb 0.52 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.87 1mm4 n ASP 77 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1mm4 h SER 78 N 0.00 0.00 0.00 1.67 4.64 -2.00 -3.43 113.55 114.42 1mm4 h SER 78 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1mm4 h SER 78 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1mm4 h SER 78 CO 0.00 0.89 -0.09 1.87 -0.87 0.00 0.00 176.83 178.63 1mm4 n TRP 79 N -3.11 -0.43 -2.28 4.77 -0.00 -1.26 -5.16 117.44 109.97 1mm4 n TRP 79 Ca -0.10 -0.42 0.00 0.00 -0.00 0.00 0.00 57.50 56.98 1mm4 n TRP 79 Cb 0.96 0.68 0.00 0.00 -0.00 0.00 0.00 31.31 32.95 1mm4 n TRP 79 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1mm4 n ASN 80 N -0.32 0.59 -1.96 5.87 5.15 -1.26 -5.02 115.26 118.31 1mm4 n ASN 80 Ca -0.07 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.77 1mm4 n ASN 80 Cb 0.54 0.00 0.23 0.00 -0.53 0.00 0.00 39.78 40.02 1mm4 n ASN 80 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1mm4 n LYS 81 N 0.00 2.75 -1.22 1.20 5.02 -1.26 -4.90 118.16 119.75 1mm4 n LYS 81 Ca 0.00 -3.06 -0.32 0.00 -2.02 0.00 0.00 58.31 52.91 1mm4 n LYS 81 Cb 0.00 -2.14 0.11 0.00 -0.02 0.00 0.00 35.03 32.98 1mm4 n LYS 81 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1mm4 s TRP 82 N -3.17 2.12 0.09 2.13 0.23 -1.26 -5.06 118.94 114.01 1mm4 s TRP 82 Ca 0.54 1.64 -0.18 0.00 -2.03 0.00 0.00 56.10 56.07 1mm4 s TRP 82 Cb 0.45 -3.30 0.04 0.00 0.03 0.00 0.00 33.47 30.70 1mm4 s TRP 82 CO 0.10 -2.36 0.44 -1.83 0.96 0.00 0.00 176.95 174.26 1mm4 s GLU 83 N -4.38 1.02 0.51 4.98 4.04 0.61 -4.79 118.70 120.70 1mm4 s GLU 83 Ca 0.68 -0.49 -0.17 0.00 0.04 0.00 0.00 54.97 55.02 1mm4 s GLU 83 Cb -0.23 0.46 -0.08 0.00 0.02 0.00 0.00 34.13 34.30 1mm4 s GLU 83 CO 0.51 -0.38 1.00 -1.25 -1.84 0.00 0.00 175.26 173.29 1mm4 s PRO 84 N -3.10 3.88 -0.22 -4.83 0.04 -1.25 -2.61 135.00 126.90 1mm4 s PRO 84 Ca -0.01 1.05 -0.16 0.00 0.04 0.00 0.00 61.00 61.92 1mm4 s PRO 84 Cb 0.00 -2.12 0.06 0.00 0.04 0.00 0.00 34.50 32.49 1mm4 s PRO 84 CO -0.07 -0.33 0.57 0.96 0.04 0.00 0.00 177.00 178.16 1mm4 s ILE 85 N -2.48 -0.01 0.09 0.56 -5.25 -1.07 -4.68 121.20 108.37 1mm4 s ILE 85 Ca 0.61 0.03 0.02 0.00 -0.99 0.00 0.00 60.65 60.31 1mm4 s ILE 85 Cb -0.11 -0.81 -0.04 0.00 2.95 0.00 0.00 42.46 44.45 1mm4 s ILE 85 CO 0.28 0.01 -0.07 0.00 -1.79 0.00 0.00 174.94 173.38 1mm4 s ALA 86 N 1.06 0.92 0.00 2.27 0.00 -1.07 -1.65 121.76 123.30 1mm4 s ALA 86 Ca -0.06 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1mm4 s ALA 86 Cb -0.06 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1mm4 s ALA 86 CO -0.10 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1mm4 n GLY 87 N 0.24 -0.71 3.18 0.00 0.00 -0.85 -0.52 105.19 106.54 1mm4 n GLY 87 Ca -0.14 -0.97 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 1mm4 n GLY 87 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mm4 s TYR 88 N -3.00 1.18 -0.05 1.61 -0.85 -0.42 -1.74 117.35 114.06 1mm4 s TYR 88 Ca 0.00 -0.55 0.02 0.00 -0.52 0.00 0.00 57.07 56.02 1mm4 s TYR 88 Cb 0.00 -0.64 0.01 0.00 0.38 0.00 0.00 41.96 41.71 1mm4 s TYR 88 CO 0.00 0.05 -0.10 0.20 -1.52 0.00 0.00 175.55 174.18 1mm4 s GLY 89 N -2.15 0.68 -0.09 5.49 0.00 0.43 -0.75 107.32 110.93 1mm4 s GLY 89 Ca 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 44.72 44.41 1mm4 s GLY 89 CO 0.02 0.15 -0.04 0.66 0.00 0.00 0.00 173.10 173.89 1mm4 s TRP 90 N 0.64 3.04 0.02 1.90 1.48 -1.01 -2.39 118.94 122.62 1mm4 s TRP 90 Ca -0.12 0.02 -0.21 0.00 -1.06 0.00 0.00 56.10 54.72 1mm4 s TRP 90 Cb -0.15 -1.79 0.05 0.00 -1.16 0.00 0.00 33.47 30.42 1mm4 s TRP 90 CO 0.03 0.30 0.48 -1.83 -4.06 0.00 0.00 176.95 171.87 1mm4 s GLU 91 N -0.58 0.95 -0.26 3.25 4.04 -0.99 -1.48 118.70 123.62 1mm4 s GLU 91 Ca 0.09 -0.17 -0.10 0.00 0.04 0.00 0.00 54.97 54.82 1mm4 s GLU 91 Cb -0.12 0.43 -0.05 0.00 0.02 0.00 0.00 34.13 34.42 1mm4 s GLU 91 CO 0.02 -0.32 0.16 0.45 -1.84 0.00 0.00 175.26 173.74 1mm4 s SER 92 N -1.73 5.95 0.13 0.83 0.15 0.21 -1.83 113.70 117.41 1mm4 s SER 92 Ca -0.08 0.01 -0.08 0.00 0.70 0.00 0.00 55.95 56.50 1mm4 s SER 92 Cb -0.01 -2.09 -0.06 0.00 -1.71 0.00 0.00 66.02 62.15 1mm4 s SER 92 CO 0.01 -0.00 0.43 -0.89 1.20 0.00 0.00 173.24 173.99 1mm4 s THR 93 N 1.46 5.08 -0.01 6.45 2.01 -1.26 -2.52 115.64 126.84 1mm4 s THR 93 Ca 0.07 0.33 -0.07 0.00 0.31 0.00 0.00 61.69 62.33 1mm4 s THR 93 Cb -0.15 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.73 1mm4 s THR 93 CO 0.08 0.13 0.14 0.26 -0.69 0.00 0.00 174.62 174.54 1mm4 s TRP 94 N -1.57 0.00 -0.42 4.92 0.51 0.09 -4.92 118.94 117.54 1mm4 s TRP 94 Ca 0.39 -0.04 -0.06 0.00 -2.12 0.00 0.00 56.10 54.27 1mm4 s TRP 94 Cb -0.13 -0.03 0.10 0.00 -0.81 0.00 0.00 33.47 32.60 1mm4 s TRP 94 CO 0.21 -0.25 0.24 1.03 -0.51 0.00 0.00 176.95 177.67 1mm4 s ARG 95 N -1.14 2.31 0.04 4.98 3.00 -1.26 -1.75 118.95 125.13 1mm4 s ARG 95 Ca -0.12 -1.68 -0.20 0.00 0.00 0.00 0.00 55.73 53.73 1mm4 s ARG 95 Cb -0.07 -3.70 -0.14 0.00 0.00 0.00 0.00 34.95 31.05 1mm4 s ARG 95 CO 0.01 -1.04 1.35 -1.00 0.00 0.00 0.00 175.30 174.62 1mm4 h PRO 96 N 8.24 0.35 -5.52 3.54 0.13 -1.93 -3.46 132.00 133.36 1mm4 h PRO 96 Ca -0.18 -0.18 -0.64 0.00 -0.87 0.00 0.00 66.00 64.13 1mm4 h PRO 96 Cb 1.06 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.10 1mm4 h PRO 96 CO 0.75 0.73 -0.42 -0.51 -0.23 0.00 0.00 178.00 178.31 1mm4 s LEU 97 N -9.11 2.47 -0.21 1.56 1.02 -1.26 -5.07 118.68 108.07 1mm4 s LEU 97 Ca -0.14 -1.47 0.20 0.00 0.02 0.00 0.00 54.13 52.74 1mm4 s LEU 97 Cb 0.05 -0.94 0.48 0.00 0.02 0.00 0.00 46.19 45.81 1mm4 s LEU 97 CO 0.75 -0.96 1.14 0.00 0.02 0.00 0.00 176.35 177.30 1mm4 n ALA 98 N -1.48 3.01 0.12 4.21 0.00 -1.26 -4.65 120.51 120.45 1mm4 n ALA 98 Ca -0.12 -2.88 -0.05 0.00 0.00 0.00 0.00 53.44 50.40 1mm4 n ALA 98 Cb 0.66 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 1mm4 n ALA 98 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1mm4 h ASP 99 N 2.13 -0.27 0.00 0.00 -0.00 -1.99 -3.47 116.42 112.82 1mm4 h ASP 99 Ca -0.06 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 56.98 1mm4 h ASP 99 Cb 1.42 0.07 0.00 0.00 -0.00 0.00 0.00 39.33 40.83 1mm4 h ASP 99 CO 0.25 -0.11 0.00 -1.84 -0.00 0.00 0.00 179.24 177.54 1mm4 n GLU 100 N -3.33 0.00 -2.73 0.28 0.28 -1.26 -5.08 120.64 108.80 1mm4 n GLU 100 Ca -0.04 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.97 1mm4 n GLU 100 Cb 0.13 -0.11 0.01 0.00 1.43 0.00 0.00 31.44 32.90 1mm4 n GLU 100 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1mm4 s ASN 101 N -4.32 -0.26 -0.40 -1.84 3.84 -1.26 -5.04 114.94 105.67 1mm4 s ASN 101 Ca 0.00 -0.16 -0.05 0.00 0.21 0.00 0.00 52.86 52.86 1mm4 s ASN 101 Cb 0.00 0.33 0.09 0.00 -0.55 0.00 0.00 41.25 41.12 1mm4 s ASN 101 CO 0.00 -0.03 0.19 0.12 -2.79 0.00 0.00 177.10 174.60 1mm4 s PHE 102 N 1.83 3.44 -0.16 0.43 2.19 -1.26 -4.33 117.98 120.12 1mm4 s PHE 102 Ca 0.16 -2.01 -0.09 0.00 0.33 0.00 0.00 56.93 55.32 1mm4 s PHE 102 Cb 0.05 -2.96 -0.05 0.00 -1.31 0.00 0.00 43.02 38.75 1mm4 s PHE 102 CO -0.15 -0.91 0.15 -1.01 1.83 0.00 0.00 175.22 175.14 1mm4 s HIS 103 N 1.26 3.49 -0.22 10.12 3.76 -0.95 -4.20 115.29 128.55 1mm4 s HIS 103 Ca 0.04 0.44 -0.05 0.00 -0.15 0.00 0.00 55.06 55.33 1mm4 s HIS 103 Cb -0.23 -2.09 0.11 0.00 1.11 0.00 0.00 32.58 31.49 1mm4 s HIS 103 CO -0.01 0.47 0.42 -0.51 -0.85 0.00 0.00 174.74 174.25 1mm4 s LEU 104 N -0.20 -0.70 0.33 0.89 1.43 -0.72 -2.59 118.68 117.12 1mm4 s LEU 104 Ca 0.11 0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 53.81 1mm4 s LEU 104 Cb -0.12 1.34 0.03 0.00 0.03 0.00 0.00 46.19 47.48 1mm4 s LEU 104 CO 0.01 -0.26 0.68 -0.83 0.23 0.00 0.00 176.35 176.18 1mm4 s GLY 105 N 2.61 0.43 0.20 -3.19 0.00 -0.19 -0.73 107.32 106.44 1mm4 s GLY 105 Ca 0.04 -0.76 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 1mm4 s GLY 105 CO -0.14 -0.39 0.20 1.08 0.00 0.00 0.00 173.10 173.85 1mm4 s LEU 106 N -3.04 1.02 0.00 0.66 1.02 -1.05 -0.94 118.68 116.35 1mm4 s LEU 106 Ca 0.17 -1.25 0.00 0.00 0.02 0.00 0.00 54.13 53.07 1mm4 s LEU 106 Cb -0.04 0.70 0.00 0.00 0.02 0.00 0.00 46.19 46.87 1mm4 s LEU 106 CO 0.11 -0.89 0.00 0.61 0.02 0.00 0.00 176.35 176.20 1mm4 n GLY 107 N -0.27 -0.64 2.94 -3.19 0.00 -0.92 -0.62 105.19 102.49 1mm4 n GLY 107 Ca 0.00 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.00 0.80 -0.26 1.61 0.40 -0.55 -2.31 117.98 114.67 1mm4 s PHE 108 Ca 0.00 -0.21 -0.14 0.00 -0.60 0.00 0.00 56.93 55.97 1mm4 s PHE 108 Cb 0.00 -0.64 -0.04 0.00 0.51 0.00 0.00 43.02 42.85 1mm4 s PHE 108 CO 0.00 -0.14 0.35 0.99 0.70 0.00 0.00 175.22 177.12 1mm4 s THR 109 N 0.54 5.20 -0.24 0.64 2.01 -0.72 -2.41 115.64 120.66 1mm4 s THR 109 Ca -0.08 0.53 -0.10 0.00 0.31 0.00 0.00 61.69 62.35 1mm4 s THR 109 Cb -0.11 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 1mm4 s THR 109 CO 0.00 0.18 0.15 0.00 -0.69 0.00 0.00 174.62 174.27 1mm4 s ALA 110 N 1.94 3.59 0.19 7.40 0.00 0.07 -2.59 121.76 132.36 1mm4 s ALA 110 Ca 0.14 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1mm4 s ALA 110 Cb -0.16 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.62 1mm4 s ALA 110 CO 0.10 -0.18 -0.06 0.20 0.00 0.00 0.00 175.76 175.82 1mm4 s GLY 111 N 1.02 1.29 -0.05 0.00 0.00 -0.10 -1.31 107.32 108.17 1mm4 s GLY 111 Ca 0.07 -1.62 -0.08 0.00 0.00 0.00 0.00 44.72 43.09 1mm4 s GLY 111 CO 0.04 -1.63 0.21 -1.34 0.00 0.00 0.00 173.10 170.38 1mm4 s VAL 112 N -3.34 0.03 -0.17 1.40 -7.23 0.32 -0.42 120.40 110.98 1mm4 s VAL 112 Ca 0.22 -0.22 -0.02 0.00 -1.81 0.00 0.00 61.98 60.14 1mm4 s VAL 112 Cb 0.04 -0.37 -0.01 0.00 0.56 0.00 0.00 36.38 36.59 1mm4 s VAL 112 CO 0.04 -0.12 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.74 1mm4 s THR 113 N -0.41 3.31 -0.04 5.32 2.01 -1.07 -2.60 115.64 122.16 1mm4 s THR 113 Ca -0.05 -0.54 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 1mm4 s THR 113 Cb -0.03 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 1mm4 s THR 113 CO 0.01 0.48 0.09 0.00 -0.69 0.00 0.00 174.62 174.50 1mm4 s ALA 114 N 0.85 3.62 0.77 7.40 0.00 -1.26 -2.49 121.76 130.66 1mm4 s ALA 114 Ca -0.02 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 1mm4 s ALA 114 Cb -0.15 -1.66 0.15 0.00 0.00 0.00 0.00 23.12 21.46 1mm4 s ALA 114 CO 0.01 0.66 1.02 0.54 0.00 0.00 0.00 175.76 177.99 1mm4 n ARG 115 N 1.49 -0.29 0.03 0.00 1.74 -1.26 -5.02 116.66 113.35 1mm4 n ARG 115 Ca -0.15 -2.51 -0.16 0.00 -0.77 0.00 0.00 57.85 54.26 1mm4 n ARG 115 Cb 0.53 -0.76 -0.14 0.00 -1.02 0.00 0.00 32.46 31.08 1mm4 n ARG 115 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1mm4 h ASP 116 N -0.77 0.30 0.99 0.55 1.82 -2.01 -3.34 116.42 113.97 1mm4 h ASP 116 Ca -0.33 -0.51 -0.13 0.00 -0.39 0.00 0.00 57.03 55.67 1mm4 h ASP 116 Cb 1.17 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 41.06 1mm4 h ASP 116 CO 0.33 1.44 -0.63 -1.13 -1.61 0.00 0.00 179.24 177.64 1mm4 h ASN 117 N 0.05 0.00 -4.72 2.28 -0.73 -2.06 -3.49 115.58 106.92 1mm4 h ASN 117 Ca -0.29 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.88 1mm4 h ASN 117 Cb 2.01 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 40.59 1mm4 h ASN 117 CO 0.13 0.63 -0.89 1.87 -0.37 0.00 0.00 177.43 178.80 1mm4 n TRP 118 N -3.47 -3.34 -3.68 0.67 -0.00 -1.25 -5.08 117.44 101.28 1mm4 n TRP 118 Ca 0.00 1.56 -0.13 0.00 -0.00 0.00 0.00 57.50 58.93 1mm4 n TRP 118 Cb 0.71 -3.55 -0.09 0.00 -0.00 0.00 0.00 31.31 28.38 1mm4 n TRP 118 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1mm4 s ASN 119 N -1.21 -0.59 0.51 5.87 4.22 -1.26 -5.09 114.94 117.38 1mm4 s ASN 119 Ca -0.04 1.13 0.00 0.00 -2.14 0.00 0.00 52.86 51.82 1mm4 s ASN 119 Cb 0.00 1.15 0.00 0.00 1.28 0.00 0.00 41.25 43.68 1mm4 s ASN 119 CO 0.64 -0.20 0.00 -1.22 -2.04 0.00 0.00 177.10 174.29 1mm4 n TYR 120 N 2.82 -3.22 -2.38 1.54 4.02 -1.26 -4.77 117.16 113.90 1mm4 n TYR 120 Ca -0.14 1.34 -0.36 0.00 -0.01 0.00 0.00 57.90 58.73 1mm4 n TYR 120 Cb 0.56 -2.40 -0.02 0.00 -0.02 0.00 0.00 39.34 37.47 1mm4 n TYR 120 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1mm4 s ILE 121 N -1.64 3.39 0.00 -0.72 -5.25 -1.26 -5.05 121.20 110.67 1mm4 s ILE 121 Ca 0.00 0.96 0.00 0.00 -0.99 0.00 0.00 60.65 60.62 1mm4 s ILE 121 Cb 0.00 -3.45 0.00 0.00 2.95 0.00 0.00 42.46 41.96 1mm4 s ILE 121 CO 0.00 -0.10 0.00 -0.81 -1.79 0.00 0.00 174.94 172.24 1mm4 n PRO 122 N -0.72 -0.58 -3.46 0.37 -0.04 -1.26 -4.98 135.00 124.33 1mm4 n PRO 122 Ca 0.08 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.11 1mm4 n PRO 122 Cb 0.50 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.91 1mm4 n PRO 122 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mm4 s LEU 123 N 0.00 6.23 0.53 1.53 1.43 -1.04 -4.89 118.68 122.48 1mm4 s LEU 123 Ca 0.00 -2.71 -0.20 0.00 -1.03 0.00 0.00 54.13 50.19 1mm4 s LEU 123 Cb 0.00 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 44.07 1mm4 s LEU 123 CO 0.00 -0.51 1.15 -2.16 0.23 0.00 0.00 176.35 175.06 1mm4 s PRO 124 N 0.14 3.40 -0.06 1.29 0.04 -1.26 -2.59 135.00 135.96 1mm4 s PRO 124 Ca 0.17 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 1mm4 s PRO 124 Cb -0.14 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.33 1mm4 s PRO 124 CO -0.07 -0.83 0.26 0.08 0.04 0.00 0.00 177.00 176.49 1mm4 s VAL 125 N -1.69 0.03 -0.04 -0.36 1.01 0.44 -4.95 120.40 114.83 1mm4 s VAL 125 Ca 0.71 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.45 1mm4 s VAL 125 Cb -0.26 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 35.69 1mm4 s VAL 125 CO 0.30 -0.13 0.00 -0.76 0.00 0.00 0.00 175.10 174.50 1mm4 s LEU 126 N -0.51 0.93 -0.03 3.92 1.02 -1.26 -0.92 118.68 121.82 1mm4 s LEU 126 Ca -0.06 -0.05 0.02 0.00 0.02 0.00 0.00 54.13 54.06 1mm4 s LEU 126 Cb -0.04 -0.30 0.01 0.00 0.02 0.00 0.00 46.19 45.88 1mm4 s LEU 126 CO 0.02 -0.13 -0.06 -1.48 0.02 0.00 0.00 176.35 174.71 1mm4 s LEU 127 N 1.38 1.59 -0.04 1.79 2.34 -1.07 -4.96 118.68 119.72 1mm4 s LEU 127 Ca -0.05 -0.14 -0.30 0.00 0.06 0.00 0.00 54.13 53.70 1mm4 s LEU 127 Cb -0.13 -0.46 -0.04 0.00 -0.56 0.00 0.00 46.19 45.00 1mm4 s LEU 127 CO -0.02 0.01 1.19 -2.16 -1.06 0.00 0.00 176.35 174.31 1mm4 s PRO 128 N 0.51 4.37 0.32 1.48 0.04 -1.26 -1.76 135.00 138.69 1mm4 s PRO 128 Ca -0.07 1.68 0.03 0.00 0.04 0.00 0.00 61.00 62.68 1mm4 s PRO 128 Cb -0.11 -3.53 -0.06 0.00 0.04 0.00 0.00 34.50 30.85 1mm4 s PRO 128 CO 0.00 -0.41 0.08 -0.51 0.04 0.00 0.00 177.00 176.20 1mm4 s LEU 129 N 2.02 2.03 -0.06 -3.56 1.02 -0.98 -2.59 118.68 116.56 1mm4 s LEU 129 Ca 0.56 -1.41 -0.02 0.00 0.02 0.00 0.00 54.13 53.28 1mm4 s LEU 129 Cb -0.25 -0.25 0.04 0.00 0.02 0.00 0.00 46.19 45.74 1mm4 s LEU 129 CO 0.23 -0.67 0.11 0.00 0.02 0.00 0.00 176.35 176.04 1mm4 s ALA 130 N -3.40 -0.03 -0.37 4.21 0.00 -0.45 -2.16 121.76 119.57 1mm4 s ALA 130 Ca 0.35 0.44 -0.20 0.00 0.00 0.00 0.00 51.96 52.55 1mm4 s ALA 130 Cb 0.08 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.60 1mm4 s ALA 130 CO 0.15 -0.40 0.64 -1.12 0.00 0.00 0.00 175.76 175.03 1mm4 s SER 131 N 1.87 6.41 -0.08 0.00 0.01 -0.12 -1.92 113.70 119.87 1mm4 s SER 131 Ca -0.00 0.08 -0.03 0.00 1.31 0.00 0.00 55.95 57.30 1mm4 s SER 131 Cb -0.12 -2.33 0.05 0.00 0.21 0.00 0.00 66.02 63.83 1mm4 s SER 131 CO -0.05 -0.62 0.16 -0.69 0.41 0.00 0.00 173.24 172.46 1mm4 s VAL 132 N 2.73 -0.21 -1.03 3.43 1.01 -0.32 -1.02 120.40 124.99 1mm4 s VAL 132 Ca 0.24 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1mm4 s VAL 132 Cb -0.14 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.94 1mm4 s VAL 132 CO 0.15 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1mm4 n GLY 133 N 5.01 -1.15 3.13 4.51 0.00 -1.07 -0.51 105.19 115.11 1mm4 n GLY 133 Ca -0.11 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.08 0.00 1.61 1.13 -0.56 -2.24 117.35 114.21 1mm4 s TYR 134 Ca 0.00 0.14 0.00 0.00 -1.41 0.00 0.00 57.07 55.80 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 -0.26 0.00 0.41 -2.51 0.00 0.00 175.55 173.19 1mm4 n GLY 135 N 1.85 1.33 0.04 5.49 0.00 -1.26 -2.45 105.19 110.19 1mm4 n GLY 135 Ca -0.20 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.34 1mm4 n GLY 135 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mm4 n PRO 136 N 2.35 0.05 -3.68 1.61 -0.04 -1.26 -4.66 135.00 129.38 1mm4 n PRO 136 Ca 0.00 0.29 -0.36 0.00 -0.04 0.00 0.00 63.50 63.40 1mm4 n PRO 136 Cb 0.00 -1.60 -0.08 0.00 -0.04 0.00 0.00 33.50 31.78 1mm4 n PRO 136 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1mm4 s VAL 137 N -3.09 5.38 -0.02 0.52 -7.23 -1.03 -3.48 120.40 111.45 1mm4 s VAL 137 Ca 0.06 0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.49 1mm4 s VAL 137 Cb 0.10 -3.51 0.02 0.00 0.56 0.00 0.00 36.38 33.55 1mm4 s VAL 137 CO 0.31 0.41 -0.00 -0.89 -0.31 0.00 0.00 175.10 174.61 1mm4 s THR 138 N 0.56 0.16 -0.12 5.32 2.01 -1.05 -1.50 115.64 121.02 1mm4 s THR 138 Ca 0.09 0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.10 1mm4 s THR 138 Cb -0.12 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 1mm4 s THR 138 CO 0.00 0.13 0.10 -0.36 -0.69 0.00 0.00 174.62 173.80 1mm4 s PHE 139 N 0.86 3.44 -0.05 4.92 0.40 0.33 -1.53 117.98 126.34 1mm4 s PHE 139 Ca -0.08 0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.67 1mm4 s PHE 139 Cb -0.12 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.47 1mm4 s PHE 139 CO -0.02 0.60 -0.15 -0.65 0.70 0.00 0.00 175.22 175.70 1mm4 s GLN 140 N -0.80 2.54 -0.18 0.44 -0.21 -0.77 -1.17 119.66 119.51 1mm4 s GLN 140 Ca 0.13 -0.71 0.01 0.00 0.02 0.00 0.00 55.36 54.82 1mm4 s GLN 140 Cb -0.12 -2.38 0.02 0.00 1.00 0.00 0.00 33.01 31.54 1mm4 s GLN 140 CO 0.03 0.59 -0.18 1.41 -2.12 0.00 0.00 175.29 175.03 1mm4 s MET 141 N -0.65 2.74 -0.30 2.91 1.75 -0.81 -2.53 119.30 122.42 1mm4 s MET 141 Ca 0.10 -0.82 -0.09 0.00 -1.25 0.00 0.00 55.69 53.63 1mm4 s MET 141 Cb -0.11 -2.50 -0.01 0.00 2.84 0.00 0.00 34.83 35.05 1mm4 s MET 141 CO 0.01 -0.26 0.12 0.99 -0.65 0.00 0.00 175.02 175.23 1mm4 s THR 142 N 1.32 4.41 -0.17 10.11 2.01 -0.11 -1.34 115.64 131.86 1mm4 s THR 142 Ca 0.03 -0.44 -0.07 0.00 0.31 0.00 0.00 61.69 61.52 1mm4 s THR 142 Cb -0.14 -3.22 0.07 0.00 0.01 0.00 0.00 72.50 69.22 1mm4 s THR 142 CO -0.12 0.11 0.37 -0.47 -0.69 0.00 0.00 174.62 173.83 1mm4 s TYR 143 N 1.59 -0.63 -0.19 4.92 6.14 -1.07 -2.59 117.35 125.52 1mm4 s TYR 143 Ca 0.04 1.29 -0.24 0.00 0.64 0.00 0.00 57.07 58.80 1mm4 s TYR 143 Cb -0.17 0.21 -0.02 0.00 0.42 0.00 0.00 41.96 42.40 1mm4 s TYR 143 CO 0.05 -0.39 0.76 0.42 0.64 0.00 0.00 175.55 177.03 1mm4 s ILE 144 N 2.07 4.92 1.14 3.14 1.09 -1.26 -4.65 121.20 127.64 1mm4 s ILE 144 Ca -0.04 1.47 -0.18 0.00 -1.10 0.00 0.00 60.65 60.80 1mm4 s ILE 144 Cb -0.11 -4.07 0.14 0.00 -1.06 0.00 0.00 42.46 37.37 1mm4 s ILE 144 CO -0.12 0.04 0.19 -2.65 -0.10 0.00 0.00 174.94 172.30 1mm4 n PRO 145 N 5.31 -1.83 0.00 2.79 -0.02 -1.26 -4.99 135.00 135.00 1mm4 n PRO 145 Ca 0.03 -0.52 0.00 0.00 -2.02 0.00 0.00 63.50 60.99 1mm4 n PRO 145 Cb 0.49 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1mm4 n PRO 145 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mm4 n GLY 146 N 1.86 3.95 3.36 -1.23 0.00 -1.26 -4.99 105.19 106.87 1mm4 n GLY 146 Ca 0.01 -1.29 -0.44 0.00 0.00 0.00 0.00 46.02 44.30 1mm4 n GLY 146 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1mm4 n THR 147 N -0.23 4.46 -4.02 2.61 5.66 -1.26 -4.97 114.28 116.53 1mm4 n THR 147 Ca 0.00 -5.09 -0.14 0.00 -3.05 0.00 0.00 64.05 55.78 1mm4 n THR 147 Cb 0.00 -2.50 -0.14 0.00 -1.55 0.00 0.00 70.33 66.14 1mm4 n THR 147 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1mm4 s TYR 148 N -0.06 0.27 -0.55 1.09 6.14 -1.26 -5.04 117.35 117.94 1mm4 s TYR 148 Ca 0.37 -0.11 -0.01 0.00 0.64 0.00 0.00 57.07 57.96 1mm4 s TYR 148 Cb -0.05 -0.17 0.44 0.00 0.42 0.00 0.00 41.96 42.59 1mm4 s TYR 148 CO -0.03 -0.02 1.99 0.09 0.64 0.00 0.00 175.55 178.22 1mm4 n ASN 149 N 2.82 6.64 -3.37 4.32 4.13 -1.26 -4.77 115.26 123.77 1mm4 n ASN 149 Ca -0.14 -3.59 0.02 0.00 1.68 0.00 0.00 54.58 52.55 1mm4 n ASN 149 Cb 0.59 -0.95 -0.03 0.00 -1.54 0.00 0.00 39.78 37.84 1mm4 n ASN 149 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1mm4 s ASN 150 N -1.33 -1.03 0.00 6.41 2.47 -1.26 -4.96 114.94 115.24 1mm4 s ASN 150 Ca 0.56 1.02 0.00 0.00 0.42 0.00 0.00 52.86 54.87 1mm4 s ASN 150 Cb 0.45 2.02 0.00 0.00 -1.45 0.00 0.00 41.25 42.26 1mm4 s ASN 150 CO 0.01 -0.19 0.00 0.61 -3.72 0.00 0.00 177.10 173.81 1mm4 n GLY 151 N 5.35 1.81 3.40 1.21 0.00 -1.26 -5.05 105.19 110.66 1mm4 n GLY 151 Ca -0.07 -0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.41 1mm4 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mm4 s ASN 152 N -2.10 6.66 -0.27 1.61 0.01 -1.26 -5.01 114.94 114.58 1mm4 s ASN 152 Ca 0.00 -2.28 -0.12 0.00 -0.71 0.00 0.00 52.86 49.75 1mm4 s ASN 152 Cb 0.00 -2.32 -0.05 0.00 0.41 0.00 0.00 41.25 39.30 1mm4 s ASN 152 CO 0.00 -0.87 0.24 0.68 -1.51 0.00 0.00 177.10 175.65 1mm4 s VAL 153 N 1.66 5.28 -0.10 1.60 -7.23 -1.26 -5.07 120.40 115.28 1mm4 s VAL 153 Ca 0.26 0.31 0.01 0.00 -1.81 0.00 0.00 61.98 60.74 1mm4 s VAL 153 Cb -0.08 -3.58 0.02 0.00 0.56 0.00 0.00 36.38 33.30 1mm4 s VAL 153 CO -0.08 0.24 -0.11 -0.72 -0.31 0.00 0.00 175.10 174.11 1mm4 s TYR 154 N 1.72 1.67 0.07 2.82 -0.85 -1.26 -4.47 117.35 117.05 1mm4 s TYR 154 Ca 0.10 -0.79 0.03 0.00 -0.52 0.00 0.00 57.07 55.90 1mm4 s TYR 154 Cb -0.16 -1.28 -0.03 0.00 0.38 0.00 0.00 41.96 40.88 1mm4 s TYR 154 CO 0.10 -0.46 -0.10 -0.06 -1.52 0.00 0.00 175.55 173.50 1mm4 s PHE 155 N 1.22 0.94 -0.02 -3.49 0.40 -1.07 -4.99 117.98 110.98 1mm4 s PHE 155 Ca -0.03 -0.54 0.05 0.00 -0.60 0.00 0.00 56.93 55.81 1mm4 s PHE 155 Cb -0.14 -0.54 -0.01 0.00 0.51 0.00 0.00 43.02 42.84 1mm4 s PHE 155 CO -0.04 -0.02 -0.18 0.00 0.70 0.00 0.00 175.22 175.68 1mm4 s ALA 156 N -1.71 1.47 0.34 5.36 0.00 -1.26 -0.93 121.76 125.03 1mm4 s ALA 156 Ca -0.03 -0.75 0.09 0.00 0.00 0.00 0.00 51.96 51.26 1mm4 s ALA 156 Cb -0.08 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.59 1mm4 s ALA 156 CO 0.01 0.35 -0.07 -1.58 0.00 0.00 0.00 175.76 174.47 1mm4 s TRP 157 N -0.37 2.33 -0.00 0.00 0.51 -1.05 -3.83 118.94 116.52 1mm4 s TRP 157 Ca 0.06 -0.57 -0.00 0.00 -2.12 0.00 0.00 56.10 53.47 1mm4 s TRP 157 Cb -0.07 -1.38 -0.04 0.00 -0.81 0.00 0.00 33.47 31.17 1mm4 s TRP 157 CO -0.00 0.50 0.07 -1.64 -0.51 0.00 0.00 176.95 175.37 1mm4 s MET 158 N -3.65 3.02 -0.03 4.98 -1.94 -0.59 -1.84 119.30 119.25 1mm4 s MET 158 Ca 0.32 -0.51 0.03 0.00 -1.71 0.00 0.00 55.69 53.82 1mm4 s MET 158 Cb 0.04 -2.83 0.00 0.00 2.01 0.00 0.00 34.83 34.05 1mm4 s MET 158 CO 0.16 0.64 -0.12 0.50 -0.01 0.00 0.00 175.02 176.19 1mm4 s ARG 159 N -1.74 1.30 -0.10 2.03 3.52 -0.58 -2.48 118.95 120.89 1mm4 s ARG 159 Ca 0.23 -0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.42 1mm4 s ARG 159 Cb -0.12 -1.16 0.02 0.00 -1.56 0.00 0.00 34.95 32.13 1mm4 s ARG 159 CO 0.14 0.15 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.61 1mm4 s PHE 160 N 0.19 1.61 -0.37 5.12 0.40 -1.01 -2.54 117.98 121.38 1mm4 s PHE 160 Ca -0.04 -0.74 -0.15 0.00 -0.60 0.00 0.00 56.93 55.40 1mm4 s PHE 160 Cb -0.10 -1.24 0.00 0.00 0.51 0.00 0.00 43.02 42.19 1mm4 s PHE 160 CO 0.01 -0.44 0.32 -1.14 0.70 0.00 0.00 175.22 174.67 1mm4 s GLN 161 N 1.23 3.31 -0.05 0.44 0.74 -1.23 -2.32 119.66 121.78 1mm4 s GLN 161 Ca -0.03 -0.70 -0.14 0.00 0.05 0.00 0.00 55.36 54.54 1mm4 s GLN 161 Cb -0.14 -3.88 -0.05 0.00 1.10 0.00 0.00 33.01 30.04 1mm4 s GLN 161 CO -0.04 -0.62 0.36 0.12 -0.55 0.00 0.00 175.29 174.57 1mm4 s PHE 162 N 1.86 3.65 0.12 1.67 5.36 -1.07 -4.93 117.98 124.64 1mm4 s PHE 162 Ca 0.08 0.86 -0.06 0.00 -0.96 0.00 0.00 56.93 56.86 1mm4 s PHE 162 Cb -0.18 -2.28 -0.02 0.00 -0.34 0.00 0.00 43.02 40.20 1mm4 s PHE 162 CO 0.11 0.54 0.16 -1.17 -1.46 0.00 0.00 175.22 173.40 1mm4 s LEU 163 N -0.63 1.50 -0.01 6.12 2.96 -1.26 -2.33 118.68 125.04 1mm4 s LEU 163 Ca 0.22 -0.92 0.03 0.00 -0.22 0.00 0.00 54.13 53.24 1mm4 s LEU 163 Cb -0.15 0.78 -0.01 0.00 0.50 0.00 0.00 46.19 47.31 1mm4 s LEU 163 CO 0.10 -0.77 -0.11 -1.83 -1.32 0.00 0.00 176.35 172.42 1mm4 s GLU 164 N -3.96 0.90 -0.09 1.98 4.04 -1.26 -5.05 118.70 115.26 1mm4 s GLU 164 Ca 0.14 -0.39 -0.07 0.00 0.04 0.00 0.00 54.97 54.69 1mm4 s GLU 164 Cb 0.05 -0.87 -0.05 0.00 0.02 0.00 0.00 34.13 33.29 1mm4 s GLU 164 CO -0.04 0.23 -0.16 0.72 -1.84 0.00 0.00 175.26 174.17 1mm4 n HIS 165 N 2.83 0.00 0.00 4.83 8.25 -1.26 -5.05 115.22 124.82 1mm4 n HIS 165 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1mm4 n HIS 165 Cb 0.56 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1mm4 n HIS 165 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1mm4 n HIS 166 N -3.70 -0.22 -0.27 4.41 8.25 -1.26 -5.12 115.22 117.31 1mm4 n HIS 166 Ca -0.19 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.97 1mm4 n HIS 166 Cb 0.53 0.04 0.29 0.00 1.12 0.00 0.00 29.99 31.97 1mm4 n HIS 166 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1mm4 n HIS 167 N -1.19 -3.33 -2.12 4.41 8.25 -1.26 -5.01 115.22 114.97 1mm4 n HIS 167 Ca 0.00 -0.70 -0.06 0.00 -0.26 0.00 0.00 57.72 56.70 1mm4 n HIS 167 Cb 0.00 -1.41 -0.04 0.00 1.12 0.00 0.00 29.99 29.66 1mm4 n HIS 167 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1mm4 n HIS 168 N -5.72 -0.32 -2.41 4.41 -0.00 -1.26 -5.08 115.22 104.83 1mm4 n HIS 168 Ca 0.11 -0.70 -0.02 0.00 0.46 0.00 0.00 57.72 57.58 1mm4 n HIS 168 Cb 0.59 0.65 -0.01 0.00 -0.12 0.00 0.00 29.99 31.10 1mm4 n HIS 168 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1mm4 n HIS 169 N -0.24 -4.71 1.48 1.57 8.25 -1.26 -5.28 115.22 115.03 1mm4 n HIS 169 Ca -0.26 2.79 0.12 0.00 -0.26 0.00 0.00 57.72 60.11 1mm4 n HIS 169 Cb 0.74 -3.87 0.70 0.00 1.12 0.00 0.00 29.99 28.69 1mm4 n HIS 169 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56