#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mm5 n ASN 2 N 0.00 0.70 0.02 7.83 3.02 -1.26 -5.04 115.26 120.53 1mm5 n ASN 2 Ca 0.00 -1.49 -0.08 0.00 -0.03 0.00 0.00 54.58 52.98 1mm5 n ASN 2 Cb 0.00 0.27 -0.06 0.00 -0.61 0.00 0.00 39.78 39.38 1mm5 n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mm5 h ALA 3 N 1.18 -0.16 0.00 5.41 0.00 -2.07 -3.21 119.26 120.41 1mm5 h ALA 3 Ca -0.07 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1mm5 h ALA 3 Cb 0.27 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1mm5 h ALA 3 CO 0.10 -0.19 -0.62 0.38 0.00 0.00 0.00 179.25 178.92 1mm5 h ASP 4 N -0.97 0.00 -0.32 0.00 3.04 -2.00 -3.10 116.42 113.07 1mm5 h ASP 4 Ca -0.02 0.00 0.04 0.00 -3.24 0.00 0.00 57.03 53.81 1mm5 h ASP 4 Cb 0.44 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.71 1mm5 h ASP 4 CO 0.03 0.62 0.22 -0.08 -2.04 0.00 0.00 179.24 177.99 1mm5 h GLU 5 N 0.00 0.26 0.00 4.15 4.81 -1.97 -0.41 114.58 121.42 1mm5 h GLU 5 Ca -0.01 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.07 1mm5 h GLU 5 Cb 1.20 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1mm5 h GLU 5 CO 0.08 0.17 -0.65 2.35 -0.73 0.00 0.00 179.01 180.24 1mm5 h TRP 6 N 0.27 0.00 0.00 0.92 -0.00 -1.54 -3.08 115.95 112.52 1mm5 h TRP 6 Ca 0.14 0.00 -0.17 0.00 -0.00 0.00 0.00 58.89 58.86 1mm5 h TRP 6 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.34 1mm5 h TRP 6 CO -0.00 0.65 -0.80 1.98 -0.00 0.00 0.00 178.44 180.27 1mm5 h MET 7 N 0.00 0.00 -0.66 2.65 4.05 -1.20 -3.28 114.93 116.49 1mm5 h MET 7 Ca -0.01 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.46 1mm5 h MET 7 Cb 1.15 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.90 1mm5 h MET 7 CO 0.08 0.80 0.38 1.15 0.23 0.00 0.00 176.91 179.55 1mm5 h THR 8 N 0.00 1.00 -0.02 -0.77 2.02 -1.20 -0.76 112.91 113.17 1mm5 h THR 8 Ca -0.01 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 66.94 1mm5 h THR 8 Cb 1.51 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1mm5 h THR 8 CO 0.10 0.13 0.02 0.00 0.37 0.00 0.00 175.52 176.14 1mm5 h THR 9 N 0.71 0.99 -0.14 3.16 1.03 -1.63 -1.90 112.91 115.12 1mm5 h THR 9 Ca 0.29 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 66.51 1mm5 h THR 9 Cb 0.14 0.99 0.01 0.00 -1.07 0.00 0.00 68.15 68.22 1mm5 h THR 9 CO -0.16 0.00 -0.60 -0.26 -0.01 0.00 0.00 175.52 174.49 1mm5 h PHE 10 N 0.00 0.87 -0.56 0.00 0.04 -1.29 -2.62 116.94 113.39 1mm5 h PHE 10 Ca 0.01 -0.37 -0.04 0.00 2.80 0.00 0.00 57.97 60.36 1mm5 h PHE 10 Cb 0.04 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 1mm5 h PHE 10 CO 0.00 1.17 0.17 -0.09 -0.60 0.00 0.00 178.31 178.96 1mm5 h ARG 11 N 0.33 0.84 -0.21 1.51 2.43 -0.72 -2.45 114.38 116.10 1mm5 h ARG 11 Ca -0.03 -0.16 -0.13 0.00 -0.81 0.00 0.00 59.98 58.85 1mm5 h ARG 11 Cb 1.23 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1mm5 h ARG 11 CO 0.12 0.74 -0.41 1.49 -1.51 0.00 0.00 179.97 180.40 1mm5 h GLU 12 N 0.82 0.50 -0.63 0.20 4.57 -1.37 -2.80 114.58 115.86 1mm5 h GLU 12 Ca 0.19 -0.25 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 1mm5 h GLU 12 Cb 0.25 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 1mm5 h GLU 12 CO -0.01 0.82 0.29 -0.97 -1.18 0.00 0.00 179.01 177.97 1mm5 h ASN 13 N 0.41 0.83 -0.58 1.04 -0.73 -1.05 -1.92 115.58 113.58 1mm5 h ASN 13 Ca 0.03 -0.14 -0.05 0.00 1.87 0.00 0.00 56.30 58.01 1mm5 h ASN 13 Cb 0.90 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 39.25 1mm5 h ASN 13 CO 0.08 0.74 0.15 0.40 -0.37 0.00 0.00 177.43 178.42 1mm5 h ILE 14 N 0.86 1.25 -0.70 2.57 2.04 -1.40 -1.87 117.51 120.26 1mm5 h ILE 14 Ca 0.21 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 1mm5 h ILE 14 Cb 0.14 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1mm5 h ILE 14 CO -0.03 0.33 0.34 0.00 0.00 0.00 0.00 178.15 178.79 1mm5 h ALA 15 N 1.03 1.28 -0.34 1.87 0.00 -1.25 0.19 119.26 122.05 1mm5 h ALA 15 Ca 0.18 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1mm5 h ALA 15 Cb 0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1mm5 h ALA 15 CO 0.00 0.56 -0.36 0.37 0.00 0.00 0.00 179.25 179.82 1mm5 h GLN 16 N 0.99 0.78 -0.18 0.00 4.15 -1.09 -2.46 115.11 117.30 1mm5 h GLN 16 Ca 0.24 -0.39 -0.17 0.00 0.77 0.00 0.00 58.65 59.11 1mm5 h GLN 16 Cb 0.09 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 1mm5 h GLN 16 CO -0.03 1.02 -0.57 1.79 -1.93 0.00 0.00 178.83 179.10 1mm5 h THR 17 N 0.65 1.32 -0.33 2.39 1.35 -0.91 -1.20 112.91 116.18 1mm5 h THR 17 Ca 0.06 -1.82 -0.08 0.00 -0.55 0.00 0.00 66.41 64.02 1mm5 h THR 17 Cb 0.91 1.79 -0.02 0.00 -1.73 0.00 0.00 68.15 69.11 1mm5 h THR 17 CO 0.08 0.57 -0.13 -0.25 -0.25 0.00 0.00 175.52 175.54 1mm5 h TRP 18 N 0.44 0.62 0.10 4.73 7.01 -0.89 -3.08 115.95 124.87 1mm5 h TRP 18 Ca 0.00 -0.10 -0.23 0.00 2.11 0.00 0.00 58.89 60.67 1mm5 h TRP 18 Cb 1.12 -0.16 0.02 0.00 -2.10 0.00 0.00 29.16 28.04 1mm5 h TRP 18 CO 0.05 0.67 -0.97 1.96 -2.79 0.00 0.00 178.44 177.36 1mm5 h GLN 19 N 0.52 0.48 -7.08 2.65 4.20 -1.36 -3.46 115.11 111.06 1mm5 h GLN 19 Ca 0.09 -0.65 -0.45 0.00 0.06 0.00 0.00 58.65 57.71 1mm5 h GLN 19 Cb 0.53 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1mm5 h GLN 19 CO 0.03 1.28 0.34 -0.65 -0.67 0.00 0.00 178.83 179.16 1mm5 s GLN 20 N -2.87 4.16 0.72 1.46 -0.21 -0.46 -5.02 119.66 117.45 1mm5 s GLN 20 Ca -0.12 1.07 -0.16 0.00 0.02 0.00 0.00 55.36 56.18 1mm5 s GLN 20 Cb 0.04 -2.18 -0.04 0.00 1.00 0.00 0.00 33.01 31.83 1mm5 s GLN 20 CO 0.88 -0.08 0.53 -2.30 -2.12 0.00 0.00 175.29 172.20 1mm5 n PRO 21 N -0.84 0.29 0.22 2.91 -0.02 -1.26 -4.80 135.00 131.50 1mm5 n PRO 21 Ca 0.07 0.14 -0.09 0.00 -2.02 0.00 0.00 63.50 61.60 1mm5 n PRO 21 Cb 0.54 -1.83 -0.04 0.00 -0.02 0.00 0.00 33.50 32.14 1mm5 n PRO 21 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1mm5 h GLU 22 N -0.38 -0.58 -5.41 -0.52 4.39 -1.93 -3.47 114.58 106.67 1mm5 h GLU 22 Ca -0.45 0.04 -0.43 0.00 0.34 0.00 0.00 59.36 58.86 1mm5 h GLU 22 Cb 1.35 0.13 -0.14 0.00 -0.10 0.00 0.00 28.75 29.99 1mm5 h GLU 22 CO 0.43 -0.39 -0.71 -1.01 -1.16 0.00 0.00 179.01 176.17 1mm5 s HIS 23 N -3.61 1.66 -0.36 4.33 3.76 -1.26 -4.43 115.29 115.38 1mm5 s HIS 23 Ca -0.09 -0.67 0.04 0.00 -0.15 0.00 0.00 55.06 54.19 1mm5 s HIS 23 Cb 0.01 -0.84 0.10 0.00 1.11 0.00 0.00 32.58 32.96 1mm5 s HIS 23 CO 0.26 0.25 0.08 0.71 -0.85 0.00 0.00 174.74 175.19 1mm5 s TYR 24 N -3.10 3.53 -0.25 1.40 2.02 -1.06 -4.61 117.35 115.28 1mm5 s TYR 24 Ca 0.24 -2.94 -0.17 0.00 -0.37 0.00 0.00 57.07 53.82 1mm5 s TYR 24 Cb 0.01 -2.82 -0.03 0.00 -0.40 0.00 0.00 41.96 38.72 1mm5 s TYR 24 CO 0.07 -0.91 0.48 -0.51 -1.57 0.00 0.00 175.55 173.11 1mm5 s ASP 25 N 0.77 6.41 -0.15 2.29 1.01 -1.07 -2.48 116.67 123.46 1mm5 s ASP 25 Ca 0.12 0.50 -0.07 0.00 0.71 0.00 0.00 52.55 53.81 1mm5 s ASP 25 Cb -0.20 -2.27 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 1mm5 s ASP 25 CO -0.08 -0.24 0.09 -0.76 0.21 0.00 0.00 175.17 174.39 1mm5 s LEU 26 N 2.13 4.04 -0.02 1.23 2.01 -0.98 -1.00 118.68 126.09 1mm5 s LEU 26 Ca 0.20 0.25 0.05 0.00 0.01 0.00 0.00 54.13 54.65 1mm5 s LEU 26 Cb -0.16 -2.00 -0.01 0.00 0.01 0.00 0.00 46.19 44.03 1mm5 s LEU 26 CO 0.09 0.29 -0.18 -0.31 1.01 0.00 0.00 176.35 177.25 1mm5 s TYR 27 N -0.33 1.67 0.04 0.29 2.02 0.15 -1.14 117.35 120.05 1mm5 s TYR 27 Ca 0.10 -0.35 -0.21 0.00 -0.37 0.00 0.00 57.07 56.23 1mm5 s TYR 27 Cb -0.12 -1.09 0.05 0.00 -0.40 0.00 0.00 41.96 40.40 1mm5 s TYR 27 CO 0.01 -0.06 0.49 0.96 -1.57 0.00 0.00 175.55 175.38 1mm5 s ILE 28 N -0.33 0.04 0.22 2.71 -5.25 -1.01 -0.95 121.20 116.62 1mm5 s ILE 28 Ca 0.05 -0.31 -0.30 0.00 -0.99 0.00 0.00 60.65 59.10 1mm5 s ILE 28 Cb -0.08 -0.96 -0.09 0.00 2.95 0.00 0.00 42.46 44.28 1mm5 s ILE 28 CO -0.00 -0.17 1.33 -2.16 -1.79 0.00 0.00 174.94 172.15 1mm5 s PRO 29 N -2.38 4.37 0.00 0.37 0.04 -1.26 -1.86 135.00 134.28 1mm5 s PRO 29 Ca -0.06 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1mm5 s PRO 29 Cb -0.01 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1mm5 s PRO 29 CO -0.01 -0.27 0.00 0.00 0.04 0.00 0.00 177.00 176.76 1mm5 n ALA 30 N 2.41 1.79 -3.16 8.56 0.00 -1.17 -4.87 120.51 124.08 1mm5 n ALA 30 Ca 0.06 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 1mm5 n ALA 30 Cb 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.76 1mm5 n ALA 30 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1mm5 s ILE 31 N -0.44 0.02 0.27 0.00 2.07 -1.24 -5.08 121.20 116.79 1mm5 s ILE 31 Ca 0.00 -0.13 0.03 0.00 -1.41 0.00 0.00 60.65 59.13 1mm5 s ILE 31 Cb 0.00 -0.42 -0.04 0.00 0.13 0.00 0.00 42.46 42.13 1mm5 s ILE 31 CO 0.00 -0.07 0.19 0.28 -1.91 0.00 0.00 174.94 173.43 1mm5 s THR 32 N -0.21 0.07 0.19 4.00 -1.32 -1.26 -2.49 115.64 114.62 1mm5 s THR 32 Ca -0.03 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.39 1mm5 s THR 32 Cb -0.03 -2.50 -0.06 0.00 -1.51 0.00 0.00 72.50 68.40 1mm5 s THR 32 CO 0.01 0.00 0.44 0.26 -2.21 0.00 0.00 174.62 173.12 1mm5 s TRP 33 N -3.78 3.47 -0.18 9.09 0.23 -1.26 -5.03 118.94 121.47 1mm5 s TRP 33 Ca 0.39 0.60 -0.15 0.00 -2.03 0.00 0.00 56.10 54.91 1mm5 s TRP 33 Cb 0.05 -2.05 -0.04 0.00 0.03 0.00 0.00 33.47 31.45 1mm5 s TRP 33 CO 0.19 0.35 0.36 -1.01 0.96 0.00 0.00 176.95 177.80 1mm5 s HIS 34 N -1.79 3.41 0.70 -1.98 3.76 -1.26 -4.98 115.29 113.15 1mm5 s HIS 34 Ca 0.42 0.61 -0.08 0.00 -0.15 0.00 0.00 55.06 55.86 1mm5 s HIS 34 Cb -0.12 -2.45 0.04 0.00 1.11 0.00 0.00 32.58 31.17 1mm5 s HIS 34 CO 0.25 0.10 1.04 0.00 -0.85 0.00 0.00 174.74 175.28 1mm5 s ALA 35 N 0.94 3.04 -0.03 -1.40 0.00 -1.26 -5.03 121.76 118.02 1mm5 s ALA 35 Ca 0.18 -0.70 0.18 0.00 0.00 0.00 0.00 51.96 51.62 1mm5 s ALA 35 Cb -0.14 -2.76 0.31 0.00 0.00 0.00 0.00 23.12 20.53 1mm5 s ALA 35 CO 0.07 -1.23 1.13 2.89 0.00 0.00 0.00 175.76 178.62 1mm5 n ARG 36 N -2.94 0.15 -1.00 0.00 1.85 -1.26 -4.87 116.66 108.59 1mm5 n ARG 36 Ca 0.07 -1.77 -0.06 0.00 -1.00 0.00 0.00 57.85 55.08 1mm5 n ARG 36 Cb 0.59 0.06 -0.07 0.00 -1.05 0.00 0.00 32.46 32.00 1mm5 n ARG 36 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1mm5 n PHE 37 N 0.21 0.00 -3.94 2.89 3.72 -1.26 -5.14 117.46 113.95 1mm5 n PHE 37 Ca -0.05 -0.49 -0.27 0.00 -0.05 0.00 0.00 57.45 56.59 1mm5 n PHE 37 Cb 0.98 0.47 -0.03 0.00 -0.94 0.00 0.00 39.48 39.96 1mm5 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mm5 s ALA 38 N 0.00 3.98 -0.96 4.37 0.00 -1.26 -4.76 121.76 123.13 1mm5 s ALA 38 Ca 0.01 -1.00 -0.25 0.00 0.00 0.00 0.00 51.96 50.72 1mm5 s ALA 38 Cb 0.01 -1.79 -0.13 0.00 0.00 0.00 0.00 23.12 21.22 1mm5 s ALA 38 CO -0.01 0.59 2.14 0.71 0.00 0.00 0.00 175.76 179.19 1mm5 s TYR 39 N -1.70 1.47 -0.34 0.00 1.51 -1.26 -4.90 117.35 112.13 1mm5 s TYR 39 Ca 0.35 1.46 -0.22 0.00 -1.01 0.00 0.00 57.07 57.64 1mm5 s TYR 39 Cb -0.11 -3.66 0.00 0.00 -0.11 0.00 0.00 41.96 38.08 1mm5 s TYR 39 CO 0.28 -1.32 0.74 0.16 -1.11 0.00 0.00 175.55 174.31 1mm5 s ASP 40 N 8.80 6.56 -0.16 2.29 -4.77 -1.26 -4.89 116.67 123.24 1mm5 s ASP 40 Ca 0.80 0.43 0.24 0.00 -3.30 0.00 0.00 52.55 50.71 1mm5 s ASP 40 Cb -0.07 -2.38 0.47 0.00 -1.09 0.00 0.00 42.92 39.85 1mm5 s ASP 40 CO 0.09 -0.64 1.14 2.29 0.70 0.00 0.00 175.17 178.75 1mm5 n LYS 41 N 6.23 1.06 -0.03 2.11 0.00 -1.26 -4.93 118.16 121.34 1mm5 n LYS 41 Ca 0.02 -2.88 -0.03 0.00 -0.00 0.00 0.00 58.31 55.42 1mm5 n LYS 41 Cb 0.48 -0.95 -0.01 0.00 -0.00 0.00 0.00 35.03 34.55 1mm5 n LYS 41 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1mm5 n GLU 42 N -0.19 0.18 0.06 -1.58 0.00 -1.26 -5.08 120.64 112.76 1mm5 n GLU 42 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 57.16 57.37 1mm5 n GLU 42 Cb 0.93 -0.90 0.00 0.00 0.00 0.00 0.00 31.44 31.48 1mm5 n GLU 42 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1mm5 n LYS 43 N -3.15 0.00 0.18 5.31 4.76 -1.26 -5.07 118.16 118.94 1mm5 n LYS 43 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1mm5 n LYS 43 Cb 0.15 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.34 1mm5 n LYS 43 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1mm5 n THR 44 N -2.67 0.00 0.00 -0.18 -1.04 -1.26 -5.07 114.28 104.06 1mm5 n THR 44 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1mm5 n THR 44 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1mm5 n THR 44 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1mm5 n ASP 45 N -3.24 0.00 -3.17 8.00 8.00 -1.26 -5.10 116.55 119.78 1mm5 n ASP 45 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 1mm5 n ASP 45 Cb 0.00 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 1mm5 n ASP 45 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1mm5 s ARG 46 N -0.76 0.43 -0.09 -1.24 3.52 -1.26 -5.04 118.95 114.52 1mm5 s ARG 46 Ca 0.00 0.78 0.03 0.00 -0.13 0.00 0.00 55.73 56.41 1mm5 s ARG 46 Cb 0.00 0.44 -0.07 0.00 -1.56 0.00 0.00 34.95 33.75 1mm5 s ARG 46 CO 0.00 -0.45 -0.04 0.98 -0.81 0.00 0.00 175.30 174.97 1mm5 n TYR 47 N 5.44 0.00 -2.13 5.12 9.36 -1.26 -5.04 117.16 128.64 1mm5 n TYR 47 Ca -0.04 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 60.91 1mm5 n TYR 47 Cb 0.52 -0.37 0.05 0.00 -0.63 0.00 0.00 39.34 38.91 1mm5 n TYR 47 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1mm5 s ASN 48 N -4.55 5.17 -0.14 2.98 -0.87 -1.26 -5.09 114.94 111.19 1mm5 s ASN 48 Ca -0.09 0.76 -0.01 0.00 -1.57 0.00 0.00 52.86 51.95 1mm5 s ASN 48 Cb 0.03 -1.53 0.03 0.00 -0.02 0.00 0.00 41.25 39.76 1mm5 s ASN 48 CO 0.25 -1.41 -0.06 -1.83 -2.57 0.00 0.00 177.10 171.48 1mm5 s GLU 49 N -5.25 1.42 0.57 -0.60 -1.05 -1.26 -5.13 118.70 107.40 1mm5 s GLU 49 Ca 0.58 -0.36 -0.19 0.00 -0.15 0.00 0.00 54.97 54.84 1mm5 s GLU 49 Cb -0.11 -1.77 -0.05 0.00 -0.44 0.00 0.00 34.13 31.77 1mm5 s GLU 49 CO 0.47 -0.36 1.18 -0.98 0.95 0.00 0.00 175.26 176.53 1mm5 s ARG 50 N 1.69 3.16 1.05 -4.83 1.70 -1.26 -5.02 118.95 115.44 1mm5 s ARG 50 Ca 0.03 1.74 -0.14 0.00 -0.47 0.00 0.00 55.73 56.89 1mm5 s ARG 50 Cb -0.14 -1.98 0.22 0.00 -0.57 0.00 0.00 34.95 32.48 1mm5 s ARG 50 CO -0.08 -1.04 1.10 -1.25 -1.08 0.00 0.00 175.30 172.96 1mm5 s PRO 51 N -3.28 -0.01 -0.57 3.89 0.04 -1.26 -4.96 135.00 128.85 1mm5 s PRO 51 Ca 0.75 0.32 -0.25 0.00 0.04 0.00 0.00 61.00 61.85 1mm5 s PRO 51 Cb -0.28 -1.70 0.04 0.00 0.04 0.00 0.00 34.50 32.60 1mm5 s PRO 51 CO 0.31 -2.98 1.02 -1.58 0.04 0.00 0.00 177.00 173.80 1mm5 s TRP 52 N -3.01 2.73 -0.11 0.56 0.51 -1.26 -4.98 118.94 113.37 1mm5 s TRP 52 Ca 0.67 0.09 -0.12 0.00 -2.12 0.00 0.00 56.10 54.63 1mm5 s TRP 52 Cb -0.16 -4.22 -0.05 0.00 -0.81 0.00 0.00 33.47 28.24 1mm5 s TRP 52 CO 0.57 -1.44 0.26 0.20 -0.51 0.00 0.00 176.95 176.03 1mm5 s GLY 53 N 2.92 2.25 -0.17 0.98 0.00 -1.26 -3.79 107.32 108.25 1mm5 s GLY 53 Ca 0.34 -0.47 -0.04 0.00 0.00 0.00 0.00 44.72 44.55 1mm5 s GLY 53 CO 0.21 0.08 -0.02 -0.32 0.00 0.00 0.00 173.10 173.05 1mm5 s GLY 54 N -0.42 1.74 -0.03 0.20 0.00 -0.92 -4.93 107.32 102.97 1mm5 s GLY 54 Ca 0.17 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 44.03 1mm5 s GLY 54 CO 0.06 -0.01 0.12 -0.32 0.00 0.00 0.00 173.10 172.96 1mm5 s GLY 55 N 0.46 2.09 0.30 0.20 0.00 -0.13 -2.61 107.32 107.63 1mm5 s GLY 55 Ca -0.02 -0.79 -0.10 0.00 0.00 0.00 0.00 44.72 43.80 1mm5 s GLY 55 CO 0.02 -0.65 0.53 -1.36 0.00 0.00 0.00 173.10 171.65 1mm5 s PHE 56 N -1.20 0.53 -0.15 1.90 0.40 0.51 -0.68 117.98 119.30 1mm5 s PHE 56 Ca 0.23 -0.90 -0.33 0.00 -0.60 0.00 0.00 56.93 55.32 1mm5 s PHE 56 Cb -0.12 0.21 0.13 0.00 0.51 0.00 0.00 43.02 43.75 1mm5 s PHE 56 CO 0.14 -1.13 1.13 0.20 0.70 0.00 0.00 175.22 176.25 1mm5 s GLY 57 N -3.09 -0.33 -0.06 4.36 0.00 -0.17 -1.75 107.32 106.28 1mm5 s GLY 57 Ca 0.24 1.49 0.04 0.00 0.00 0.00 0.00 44.72 46.48 1mm5 s GLY 57 CO 0.13 0.50 -0.16 -2.27 0.00 0.00 0.00 173.10 171.30 1mm5 s LEU 58 N -2.21 2.63 0.30 0.66 0.20 -0.89 -2.59 118.68 116.78 1mm5 s LEU 58 Ca 0.08 -0.26 -0.08 0.00 0.69 0.00 0.00 54.13 54.57 1mm5 s LEU 58 Cb -0.01 -1.53 -0.06 0.00 -0.43 0.00 0.00 46.19 44.16 1mm5 s LEU 58 CO -0.06 0.32 0.61 -0.55 -0.29 0.00 0.00 176.35 176.38 1mm5 s SER 59 N -0.55 6.51 0.14 3.68 0.15 -1.26 -2.48 113.70 119.89 1mm5 s SER 59 Ca 0.08 0.87 -0.24 0.00 0.70 0.00 0.00 55.95 57.36 1mm5 s SER 59 Cb -0.11 -2.21 0.07 0.00 -1.71 0.00 0.00 66.02 62.06 1mm5 s SER 59 CO 0.01 -0.22 0.63 -0.60 1.20 0.00 0.00 173.24 174.27 1mm5 s ARG 60 N -3.44 1.23 0.01 5.44 6.06 0.44 -4.86 118.95 123.84 1mm5 s ARG 60 Ca 0.47 -0.44 0.01 0.00 -2.50 0.00 0.00 55.73 53.27 1mm5 s ARG 60 Cb -0.11 0.57 -0.01 0.00 0.06 0.00 0.00 34.95 35.46 1mm5 s ARG 60 CO 0.28 -0.54 -0.04 1.67 -2.50 0.00 0.00 175.30 174.17 1mm5 s TRP 61 N -3.65 0.38 -0.05 5.12 -2.14 -1.26 -2.21 118.94 115.14 1mm5 s TRP 61 Ca 0.01 -0.24 0.01 0.00 2.66 0.00 0.00 56.10 58.53 1mm5 s TRP 61 Cb -0.01 -0.24 -0.03 0.00 -3.10 0.00 0.00 33.47 30.09 1mm5 s TRP 61 CO -0.12 -0.05 -0.04 0.34 -2.66 0.00 0.00 176.95 174.42 1mm5 s ASP 62 N -0.68 4.89 0.62 -2.66 -1.08 0.47 -4.91 116.67 113.32 1mm5 s ASP 62 Ca -0.04 0.01 0.29 0.00 -0.52 0.00 0.00 52.55 52.29 1mm5 s ASP 62 Cb -0.05 -1.27 1.56 0.00 -1.46 0.00 0.00 42.92 41.70 1mm5 s ASP 62 CO -0.00 0.34 1.93 -0.33 0.52 0.00 0.00 175.17 177.63 1mm5 h GLU 63 N 4.96 0.00 -1.18 4.34 3.07 -2.02 0.30 114.58 124.06 1mm5 h GLU 63 Ca -0.49 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 57.97 1mm5 h GLU 63 Cb 1.18 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 28.89 1mm5 h GLU 63 CO 0.54 0.00 0.51 0.36 -1.40 0.00 0.00 179.01 179.01 1mm5 n LYS 64 N -3.40 1.97 -3.60 2.33 2.85 -1.26 -4.85 118.16 112.19 1mm5 n LYS 64 Ca 0.03 -2.06 -0.20 0.00 -1.05 0.00 0.00 58.31 55.03 1mm5 n LYS 64 Cb 0.51 -1.81 0.05 0.00 -0.65 0.00 0.00 35.03 33.13 1mm5 n LYS 64 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1mm5 n GLY 65 N -0.33 -0.38 3.45 2.58 0.00 0.07 -5.01 105.19 105.57 1mm5 n GLY 65 Ca 0.40 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 46.35 1mm5 n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mm5 s ASN 66 N -4.28 3.29 -0.14 1.61 0.02 -1.08 -4.93 114.94 109.42 1mm5 s ASN 66 Ca 0.04 -1.06 0.01 0.00 -1.02 0.00 0.00 52.86 50.82 1mm5 s ASN 66 Cb -0.01 -0.26 0.02 0.00 0.02 0.00 0.00 41.25 41.03 1mm5 s ASN 66 CO 0.79 -0.08 -0.15 0.86 0.02 0.00 0.00 177.10 178.54 1mm5 s TRP 67 N -2.68 2.20 0.30 2.20 -0.00 -1.02 -0.39 118.94 119.55 1mm5 s TRP 67 Ca 0.28 -1.21 0.10 0.00 -0.00 0.00 0.00 56.10 55.27 1mm5 s TRP 67 Cb -0.02 -1.60 -0.06 0.00 -0.00 0.00 0.00 33.47 31.79 1mm5 s TRP 67 CO 0.13 -0.65 -0.13 -1.58 -0.00 0.00 0.00 176.95 174.72 1mm5 s HIS 68 N 1.37 2.24 -0.21 5.86 2.46 -0.94 -1.56 115.29 124.52 1mm5 s HIS 68 Ca 0.03 -0.48 -0.35 0.00 0.47 0.00 0.00 55.06 54.73 1mm5 s HIS 68 Cb -0.13 -1.16 0.15 0.00 -0.13 0.00 0.00 32.58 31.30 1mm5 s HIS 68 CO -0.09 0.57 1.24 0.20 -2.47 0.00 0.00 174.74 174.19 1mm5 s GLY 69 N -3.53 -0.25 0.35 1.59 0.00 -1.05 -0.42 107.32 104.02 1mm5 s GLY 69 Ca 0.30 1.77 0.08 0.00 0.00 0.00 0.00 44.72 46.87 1mm5 s GLY 69 CO 0.15 0.61 0.24 1.08 0.00 0.00 0.00 173.10 175.18 1mm5 s LEU 70 N -2.02 3.41 -0.21 0.66 1.02 -1.04 -0.40 118.68 120.10 1mm5 s LEU 70 Ca 0.09 -0.68 -0.01 0.00 0.02 0.00 0.00 54.13 53.56 1mm5 s LEU 70 Cb -0.01 -1.96 0.01 0.00 0.02 0.00 0.00 46.19 44.26 1mm5 s LEU 70 CO -0.04 -0.38 -0.13 -0.31 0.02 0.00 0.00 176.35 175.50 1mm5 s TYR 71 N -2.39 2.90 -0.30 0.29 1.51 -1.05 -2.09 117.35 116.21 1mm5 s TYR 71 Ca 0.41 -1.47 -0.02 0.00 -1.01 0.00 0.00 57.07 54.98 1mm5 s TYR 71 Cb -0.04 -1.99 0.05 0.00 -0.11 0.00 0.00 41.96 39.87 1mm5 s TYR 71 CO 0.25 -0.73 0.01 0.00 -1.11 0.00 0.00 175.55 173.97 1mm5 s ALA 72 N 1.34 2.83 0.15 3.71 0.00 -0.72 -2.62 121.76 126.45 1mm5 s ALA 72 Ca 0.04 -1.77 0.09 0.00 0.00 0.00 0.00 51.96 50.32 1mm5 s ALA 72 Cb -0.14 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 1mm5 s ALA 72 CO -0.09 -1.28 -0.21 1.41 0.00 0.00 0.00 175.76 175.59 1mm5 s MET 73 N 1.26 1.29 -0.13 0.00 1.75 -1.07 -0.36 119.30 122.03 1mm5 s MET 73 Ca -0.05 -1.35 -0.07 0.00 -1.25 0.00 0.00 55.69 52.97 1mm5 s MET 73 Cb -0.20 -1.53 0.05 0.00 2.84 0.00 0.00 34.83 36.00 1mm5 s MET 73 CO -0.01 0.34 0.32 0.00 -0.65 0.00 0.00 175.02 175.02 1mm5 s ALA 74 N -1.56 -0.78 -0.21 4.11 0.00 -1.07 -1.76 121.76 120.49 1mm5 s ALA 74 Ca 0.14 1.24 -0.04 0.00 0.00 0.00 0.00 51.96 53.30 1mm5 s ALA 74 Cb -0.08 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 1mm5 s ALA 74 CO 0.06 -0.23 -0.04 -0.06 0.00 0.00 0.00 175.76 175.49 1mm5 s PHE 75 N 1.33 2.96 -0.29 0.00 0.08 -1.07 -2.16 117.98 118.82 1mm5 s PHE 75 Ca -0.09 -0.82 -0.14 0.00 0.12 0.00 0.00 56.93 56.00 1mm5 s PHE 75 Cb -0.09 -2.08 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 1mm5 s PHE 75 CO -0.10 -0.46 0.33 0.21 -0.10 0.00 0.00 175.22 175.10 1mm5 s LYS 76 N 1.28 3.90 0.37 0.44 2.47 -1.25 -2.59 119.74 124.36 1mm5 s LYS 76 Ca 0.03 -0.14 0.00 0.00 -1.56 0.00 0.00 55.97 54.31 1mm5 s LYS 76 Cb -0.14 -3.69 0.07 0.00 -1.46 0.00 0.00 37.83 32.61 1mm5 s LYS 76 CO -0.01 -0.31 0.51 -3.47 0.16 0.00 0.00 175.35 172.22 1mm5 n ASP 77 N 5.28 0.71 0.09 1.43 -0.08 -1.26 -4.32 116.55 118.40 1mm5 n ASP 77 Ca -0.10 -1.59 -0.16 0.00 -1.51 0.00 0.00 54.79 51.43 1mm5 n ASP 77 Cb 0.51 -0.32 -0.14 0.00 2.34 0.00 0.00 41.12 43.50 1mm5 n ASP 77 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1mm5 h SER 78 N -0.29 0.41 0.00 1.67 4.64 -1.98 -3.44 113.55 114.57 1mm5 h SER 78 Ca -0.17 -0.47 -0.01 0.00 -0.47 0.00 0.00 61.79 60.67 1mm5 h SER 78 Cb 0.62 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1mm5 h SER 78 CO 0.18 1.37 -0.03 1.87 -0.87 0.00 0.00 176.83 179.36 1mm5 n TRP 79 N -3.51 -0.16 0.00 4.77 -0.00 -1.26 -5.07 117.44 112.21 1mm5 n TRP 79 Ca -0.10 -0.14 0.00 0.00 -0.00 0.00 0.00 57.50 57.26 1mm5 n TRP 79 Cb 1.03 0.58 0.00 0.00 -0.00 0.00 0.00 31.31 32.91 1mm5 n TRP 79 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1mm5 n ASN 80 N -0.12 0.00 -3.64 5.87 4.13 -1.26 -5.15 115.26 115.09 1mm5 n ASN 80 Ca -0.02 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.22 1mm5 n ASN 80 Cb 0.49 -0.06 -0.04 0.00 -1.54 0.00 0.00 39.78 38.63 1mm5 n ASN 80 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1mm5 s LYS 81 N -0.24 0.07 0.48 3.52 2.20 -1.26 -5.08 119.74 119.42 1mm5 s LYS 81 Ca 0.00 0.01 -0.20 0.00 -0.36 0.00 0.00 55.97 55.42 1mm5 s LYS 81 Cb 0.00 0.03 -0.09 0.00 -1.51 0.00 0.00 37.83 36.26 1mm5 s LYS 81 CO 0.00 -0.02 1.00 -1.58 -0.36 0.00 0.00 175.35 174.39 1mm5 s TRP 82 N -1.16 3.17 -0.38 4.03 0.23 -1.26 -4.41 118.94 119.16 1mm5 s TRP 82 Ca 0.09 1.57 0.02 0.00 -2.03 0.00 0.00 56.10 55.75 1mm5 s TRP 82 Cb -0.01 -2.94 0.11 0.00 0.03 0.00 0.00 33.47 30.65 1mm5 s TRP 82 CO -0.07 -0.53 0.12 -1.21 0.96 0.00 0.00 176.95 176.22 1mm5 s GLU 83 N -3.41 1.69 0.48 4.98 0.41 -1.07 -4.91 118.70 116.88 1mm5 s GLU 83 Ca 0.64 -1.95 -0.13 0.00 -0.41 0.00 0.00 54.97 53.12 1mm5 s GLU 83 Cb -0.13 -3.33 -0.06 0.00 -1.78 0.00 0.00 34.13 28.82 1mm5 s GLU 83 CO 0.20 -1.00 0.89 -1.25 -0.49 0.00 0.00 175.26 173.61 1mm5 s PRO 84 N 0.83 3.81 -0.11 0.39 0.04 -1.26 -2.61 135.00 136.09 1mm5 s PRO 84 Ca 0.11 0.67 -0.07 0.00 0.04 0.00 0.00 61.00 61.76 1mm5 s PRO 84 Cb -0.21 -2.25 0.04 0.00 0.04 0.00 0.00 34.50 32.12 1mm5 s PRO 84 CO -0.06 -0.21 0.26 0.42 0.04 0.00 0.00 177.00 177.46 1mm5 s ILE 85 N -2.60 -0.03 -0.08 0.56 1.09 -0.72 -2.35 121.20 117.07 1mm5 s ILE 85 Ca 0.54 0.11 -0.02 0.00 -1.10 0.00 0.00 60.65 60.18 1mm5 s ILE 85 Cb -0.10 -0.40 0.04 0.00 -1.06 0.00 0.00 42.46 40.94 1mm5 s ILE 85 CO 0.35 0.04 0.04 0.00 -0.10 0.00 0.00 174.94 175.28 1mm5 s ALA 86 N 0.98 0.47 0.11 9.38 0.00 -1.07 -2.61 121.76 129.02 1mm5 s ALA 86 Ca -0.07 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.86 1mm5 s ALA 86 Cb -0.08 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 1mm5 s ALA 86 CO -0.07 -0.62 0.06 0.41 0.00 0.00 0.00 175.76 175.54 1mm5 n GLY 87 N 5.23 3.80 2.78 0.00 0.00 -1.08 -2.31 105.19 113.62 1mm5 n GLY 87 Ca -0.05 -1.88 -0.18 0.00 0.00 0.00 0.00 46.02 43.90 1mm5 n GLY 87 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mm5 s TYR 88 N -2.13 -0.19 0.04 1.61 1.51 0.40 -2.54 117.35 116.05 1mm5 s TYR 88 Ca 0.08 0.34 0.04 0.00 -1.01 0.00 0.00 57.07 56.52 1mm5 s TYR 88 Cb 0.00 -0.35 -0.04 0.00 -0.11 0.00 0.00 41.96 41.47 1mm5 s TYR 88 CO 0.06 -0.45 -0.06 0.20 -1.11 0.00 0.00 175.55 174.18 1mm5 s GLY 89 N 2.30 1.79 -0.28 0.71 0.00 0.47 -2.59 107.32 109.71 1mm5 s GLY 89 Ca 0.04 -1.08 -0.02 0.00 0.00 0.00 0.00 44.72 43.67 1mm5 s GLY 89 CO -0.09 -0.98 -0.03 0.86 0.00 0.00 0.00 173.10 172.86 1mm5 s TRP 90 N -1.09 3.19 0.27 1.90 -0.11 0.03 -2.53 118.94 120.60 1mm5 s TRP 90 Ca 0.19 -1.77 0.08 0.00 1.22 0.00 0.00 56.10 55.82 1mm5 s TRP 90 Cb -0.11 -2.08 -0.06 0.00 -1.50 0.00 0.00 33.47 29.72 1mm5 s TRP 90 CO 0.11 -0.78 -0.09 -1.21 -4.62 0.00 0.00 176.95 170.35 1mm5 s GLU 91 N 1.27 1.54 -0.21 5.86 2.02 -0.60 -1.71 118.70 126.89 1mm5 s GLU 91 Ca -0.03 -1.76 -0.04 0.00 0.02 0.00 0.00 54.97 53.15 1mm5 s GLU 91 Cb -0.19 -1.26 0.08 0.00 0.10 0.00 0.00 34.13 32.87 1mm5 s GLU 91 CO -0.02 0.11 0.15 0.45 0.02 0.00 0.00 175.26 175.96 1mm5 s SER 92 N -3.44 2.19 0.26 -0.19 0.15 -0.73 -2.43 113.70 109.50 1mm5 s SER 92 Ca 0.28 -0.61 -0.20 0.00 0.70 0.00 0.00 55.95 56.13 1mm5 s SER 92 Cb 0.02 -0.02 -0.09 0.00 -1.71 0.00 0.00 66.02 64.22 1mm5 s SER 92 CO 0.12 -0.36 0.77 0.28 1.20 0.00 0.00 173.24 175.24 1mm5 s THR 93 N 2.20 4.53 -0.08 6.45 -1.32 -1.26 -2.60 115.64 123.57 1mm5 s THR 93 Ca 0.05 1.30 -0.04 0.00 -1.21 0.00 0.00 61.69 61.80 1mm5 s THR 93 Cb -0.16 -3.82 0.04 0.00 -1.51 0.00 0.00 72.50 67.05 1mm5 s THR 93 CO -0.16 0.10 0.18 0.26 -2.21 0.00 0.00 174.62 172.79 1mm5 s TRP 94 N -1.65 -0.22 -0.12 9.09 0.51 -1.02 -4.91 118.94 120.62 1mm5 s TRP 94 Ca 0.47 0.58 -0.25 0.00 -2.12 0.00 0.00 56.10 54.79 1mm5 s TRP 94 Cb -0.15 -0.04 -0.03 0.00 -0.81 0.00 0.00 33.47 32.44 1mm5 s TRP 94 CO 0.20 -0.19 0.78 1.03 -0.51 0.00 0.00 176.95 178.26 1mm5 s ARG 95 N 1.22 4.37 0.00 4.98 0.52 -1.26 -1.50 118.95 127.27 1mm5 s ARG 95 Ca -0.09 0.97 0.00 0.00 -0.52 0.00 0.00 55.73 56.09 1mm5 s ARG 95 Cb -0.11 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 31.84 1mm5 s ARG 95 CO -0.07 -0.15 0.00 -0.35 0.02 0.00 0.00 175.30 174.75 1mm5 n PRO 96 N 4.55 -0.35 -0.09 3.54 -0.04 -1.25 -5.02 135.00 136.35 1mm5 n PRO 96 Ca 0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.37 1mm5 n PRO 96 Cb 0.50 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.81 1mm5 n PRO 96 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1mm5 n LEU 97 N 0.00 0.42 0.01 1.53 7.94 -1.26 -4.51 117.00 121.13 1mm5 n LEU 97 Ca 0.00 0.05 -0.13 0.00 -1.11 0.00 0.00 56.01 54.82 1mm5 n LEU 97 Cb 0.00 0.31 -0.10 0.00 0.53 0.00 0.00 43.42 44.16 1mm5 n LEU 97 CO 0.00 0.53 0.55 0.00 -1.11 0.00 0.00 177.39 177.36 1mm5 h ALA 98 N 0.90 -0.08 -2.70 1.96 0.00 -1.98 -3.45 119.26 113.90 1mm5 h ALA 98 Ca -0.52 -0.26 -0.58 0.00 0.00 0.00 0.00 54.91 53.55 1mm5 h ALA 98 Cb 2.18 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.91 1mm5 h ALA 98 CO 0.03 -0.27 -0.62 -0.51 0.00 0.00 0.00 179.25 177.88 1mm5 s ASP 99 N -5.64 4.97 -0.09 0.00 1.11 -1.26 -5.06 116.67 110.70 1mm5 s ASP 99 Ca -0.15 -0.36 -0.10 0.00 0.18 0.00 0.00 52.55 52.12 1mm5 s ASP 99 Cb 0.01 -1.12 -0.04 0.00 1.07 0.00 0.00 42.92 42.84 1mm5 s ASP 99 CO 0.62 0.06 -0.21 -0.62 1.18 0.00 0.00 175.17 176.20 1mm5 n GLU 100 N -0.36 0.32 -0.17 8.23 4.71 -1.26 -3.86 120.64 128.25 1mm5 n GLU 100 Ca -0.09 0.13 -0.04 0.00 -0.01 0.00 0.00 57.16 57.15 1mm5 n GLU 100 Cb 0.56 -1.06 0.14 0.00 -1.01 0.00 0.00 31.44 30.07 1mm5 n GLU 100 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1mm5 h ASN 101 N -0.59 0.87 -2.97 1.62 4.21 -1.97 -3.41 115.58 113.33 1mm5 h ASN 101 Ca -0.08 -0.17 -0.57 0.00 1.21 0.00 0.00 56.30 56.69 1mm5 h ASN 101 Cb 0.75 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.68 1mm5 h ASN 101 CO -0.05 0.85 1.07 0.12 -1.29 0.00 0.00 177.43 178.13 1mm5 s PHE 102 N -5.22 2.35 -0.08 1.19 5.36 -1.26 -4.61 117.98 115.71 1mm5 s PHE 102 Ca -0.10 0.69 0.02 0.00 -0.96 0.00 0.00 56.93 56.58 1mm5 s PHE 102 Cb 0.15 -4.01 -0.02 0.00 -0.34 0.00 0.00 43.02 38.80 1mm5 s PHE 102 CO 0.82 -2.34 -0.13 -3.38 -1.46 0.00 0.00 175.22 168.73 1mm5 s HIS 103 N 5.01 2.76 -0.19 10.12 -3.43 -1.07 -4.26 115.29 124.23 1mm5 s HIS 103 Ca 0.65 -0.33 0.00 0.00 -0.80 0.00 0.00 55.06 54.58 1mm5 s HIS 103 Cb -0.20 -1.72 0.02 0.00 -1.43 0.00 0.00 32.58 29.25 1mm5 s HIS 103 CO 0.28 0.04 -0.17 -1.17 -2.00 0.00 0.00 174.74 171.72 1mm5 s LEU 104 N -0.32 2.28 0.40 5.38 0.20 -0.57 -2.05 118.68 124.02 1mm5 s LEU 104 Ca 0.03 -0.62 0.04 0.00 0.69 0.00 0.00 54.13 54.27 1mm5 s LEU 104 Cb -0.13 -1.52 -0.02 0.00 -0.43 0.00 0.00 46.19 44.09 1mm5 s LEU 104 CO 0.03 -0.01 0.16 -0.83 -0.29 0.00 0.00 176.35 175.41 1mm5 s GLY 105 N 1.32 2.62 0.06 7.98 0.00 -0.46 -2.44 107.32 116.39 1mm5 s GLY 105 Ca 0.05 -1.32 -0.12 0.00 0.00 0.00 0.00 44.72 43.33 1mm5 s GLY 105 CO -0.11 -1.77 0.27 1.08 0.00 0.00 0.00 173.10 172.57 1mm5 s LEU 106 N -3.58 1.01 0.00 0.66 1.43 -1.07 -2.58 118.68 114.55 1mm5 s LEU 106 Ca 0.26 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1mm5 s LEU 106 Cb 0.02 1.28 0.00 0.00 0.03 0.00 0.00 46.19 47.52 1mm5 s LEU 106 CO 0.17 -0.66 0.00 0.61 0.23 0.00 0.00 176.35 176.70 1mm5 n GLY 107 N 0.36 -0.84 3.29 -3.19 0.00 -0.92 -1.78 105.19 102.11 1mm5 n GLY 107 Ca -0.18 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 44.93 1mm5 n GLY 107 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mm5 s PHE 108 N -3.00 1.45 -0.06 1.61 0.40 -0.69 -1.61 117.98 116.08 1mm5 s PHE 108 Ca 0.00 -1.28 -0.02 0.00 -0.60 0.00 0.00 56.93 55.03 1mm5 s PHE 108 Cb 0.00 -0.80 0.04 0.00 0.51 0.00 0.00 43.02 42.77 1mm5 s PHE 108 CO 0.00 -0.46 0.12 0.95 0.70 0.00 0.00 175.22 176.53 1mm5 s THR 109 N -3.83 -0.06 -0.14 0.64 -4.23 -1.07 -0.79 115.64 106.16 1mm5 s THR 109 Ca 0.38 0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 61.06 1mm5 s THR 109 Cb 0.07 -0.21 0.04 0.00 1.34 0.00 0.00 72.50 73.75 1mm5 s THR 109 CO 0.14 0.08 0.01 0.00 -0.54 0.00 0.00 174.62 174.31 1mm5 s ALA 110 N 1.19 0.92 0.11 3.99 0.00 -1.07 -2.16 121.76 124.75 1mm5 s ALA 110 Ca -0.09 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.42 1mm5 s ALA 110 Cb -0.12 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 1mm5 s ALA 110 CO -0.05 -0.83 0.07 0.41 0.00 0.00 0.00 175.76 175.36 1mm5 n GLY 111 N 5.08 3.74 3.05 0.00 0.00 0.08 -0.45 105.19 116.68 1mm5 n GLY 111 Ca -0.09 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 43.89 1mm5 n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mm5 s VAL 112 N -2.27 0.97 -0.15 1.61 -7.23 -0.98 -0.43 120.40 111.92 1mm5 s VAL 112 Ca 0.10 -0.48 -0.02 0.00 -1.81 0.00 0.00 61.98 59.78 1mm5 s VAL 112 Cb 0.00 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 36.09 1mm5 s VAL 112 CO 0.07 0.29 -0.08 0.42 -0.31 0.00 0.00 175.10 175.49 1mm5 s THR 113 N 0.05 3.42 -0.31 5.32 -4.23 -0.77 -2.59 115.64 116.54 1mm5 s THR 113 Ca -0.01 -0.52 -0.24 0.00 -1.18 0.00 0.00 61.69 59.73 1mm5 s THR 113 Cb -0.08 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1mm5 s THR 113 CO 0.01 0.50 0.82 0.00 -0.54 0.00 0.00 174.62 175.40 1mm5 s ALA 114 N 0.50 3.53 -0.02 3.99 0.00 -0.99 -0.90 121.76 127.86 1mm5 s ALA 114 Ca -0.06 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.52 1mm5 s ALA 114 Cb -0.15 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.64 1mm5 s ALA 114 CO 0.03 -1.23 -0.05 0.50 0.00 0.00 0.00 175.76 175.01 1mm5 s ARG 115 N 3.02 0.65 -0.49 0.00 3.00 -1.26 -4.46 118.95 119.41 1mm5 s ARG 115 Ca 0.34 -0.17 -0.17 0.00 -1.00 0.00 0.00 55.73 54.73 1mm5 s ARG 115 Cb -0.14 -0.66 0.07 0.00 0.00 0.00 0.00 34.95 34.23 1mm5 s ARG 115 CO 0.13 0.04 0.51 -0.51 0.00 0.00 0.00 175.30 175.47 1mm5 s ASP 116 N 0.35 6.18 0.00 -2.12 1.11 -1.26 -4.67 116.67 116.27 1mm5 s ASP 116 Ca -0.04 -1.16 0.00 0.00 0.18 0.00 0.00 52.55 51.52 1mm5 s ASP 116 Cb -0.08 -2.24 0.00 0.00 1.07 0.00 0.00 42.92 41.67 1mm5 s ASP 116 CO -0.00 -0.78 0.00 0.59 1.18 0.00 0.00 175.17 176.16 1mm5 n ASN 117 N 5.68 0.00 -0.05 0.27 3.02 -1.26 -5.00 115.26 117.92 1mm5 n ASN 117 Ca -0.10 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.41 1mm5 n ASN 117 Cb 0.44 0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.62 1mm5 n ASN 117 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1mm5 n TRP 118 N -2.26 0.25 0.15 3.10 -0.00 -1.26 -5.06 117.44 112.35 1mm5 n TRP 118 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.50 57.61 1mm5 n TRP 118 Cb 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 31.31 30.91 1mm5 n TRP 118 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1mm5 n ASN 119 N -3.59 -2.61 -2.45 5.87 3.02 -1.26 -5.03 115.26 109.21 1mm5 n ASN 119 Ca -0.06 0.57 -0.03 0.00 -0.03 0.00 0.00 54.58 55.03 1mm5 n ASN 119 Cb 0.22 2.61 0.08 0.00 -0.61 0.00 0.00 39.78 42.08 1mm5 n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mm5 n TYR 120 N -3.08 -1.50 -3.72 3.10 4.19 -1.26 -4.98 117.16 109.91 1mm5 n TYR 120 Ca 0.00 -1.28 -0.37 0.00 3.31 0.00 0.00 57.90 59.57 1mm5 n TYR 120 Cb 0.00 1.32 -0.10 0.00 0.49 0.00 0.00 39.34 41.05 1mm5 n TYR 120 CO 0.00 0.00 0.00 0.96 0.91 0.00 0.00 176.86 178.73 1mm5 s ILE 121 N 0.11 3.66 1.00 2.97 -4.36 -1.26 -5.09 121.20 118.23 1mm5 s ILE 121 Ca 0.10 -2.72 -0.15 0.00 -0.26 0.00 0.00 60.65 57.62 1mm5 s ILE 121 Cb 0.29 -3.41 0.06 0.00 1.25 0.00 0.00 42.46 40.64 1mm5 s ILE 121 CO -0.08 -0.84 0.28 -2.65 0.24 0.00 0.00 174.94 171.89 1mm5 n PRO 122 N 3.78 -0.70 -3.89 0.37 -0.02 -1.26 -4.81 135.00 128.46 1mm5 n PRO 122 Ca 0.05 -0.17 -0.35 0.00 -2.02 0.00 0.00 63.50 61.02 1mm5 n PRO 122 Cb 0.39 -1.80 -0.13 0.00 -0.02 0.00 0.00 33.50 31.93 1mm5 n PRO 122 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1mm5 s LEU 123 N -1.09 4.49 0.69 2.45 2.01 -0.08 -4.95 118.68 122.20 1mm5 s LEU 123 Ca 0.56 -1.69 -0.14 0.00 0.01 0.00 0.00 54.13 52.87 1mm5 s LEU 123 Cb -0.18 -1.73 0.02 0.00 0.01 0.00 0.00 46.19 44.31 1mm5 s LEU 123 CO 0.67 -0.37 1.12 -2.16 1.01 0.00 0.00 176.35 176.62 1mm5 s PRO 124 N 1.15 2.57 -0.08 1.29 0.04 -1.26 -1.84 135.00 136.86 1mm5 s PRO 124 Ca 0.02 1.43 -0.05 0.00 0.04 0.00 0.00 61.00 62.43 1mm5 s PRO 124 Cb -0.21 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.45 1mm5 s PRO 124 CO -0.04 -1.44 0.19 0.54 0.04 0.00 0.00 177.00 176.29 1mm5 s VAL 125 N -2.36 -0.02 -0.13 -0.36 0.11 0.43 -4.89 120.40 113.17 1mm5 s VAL 125 Ca 0.67 0.08 -0.05 0.00 -2.93 0.00 0.00 61.98 59.76 1mm5 s VAL 125 Cb -0.21 -0.28 0.06 0.00 -1.53 0.00 0.00 36.38 34.42 1mm5 s VAL 125 CO 0.44 0.03 0.26 -0.76 -3.33 0.00 0.00 175.10 171.75 1mm5 s LEU 126 N 0.66 -0.28 -0.05 2.54 1.02 -1.26 -0.74 118.68 120.56 1mm5 s LEU 126 Ca -0.05 0.59 -0.14 0.00 0.02 0.00 0.00 54.13 54.55 1mm5 s LEU 126 Cb -0.06 0.71 0.03 0.00 0.02 0.00 0.00 46.19 46.88 1mm5 s LEU 126 CO -0.03 -0.24 0.33 -0.76 0.02 0.00 0.00 176.35 175.67 1mm5 s LEU 127 N 2.38 0.74 0.56 1.79 1.02 -0.92 -5.02 118.68 119.24 1mm5 s LEU 127 Ca 0.01 0.30 -0.17 0.00 0.02 0.00 0.00 54.13 54.29 1mm5 s LEU 127 Cb -0.12 1.29 -0.05 0.00 0.02 0.00 0.00 46.19 47.33 1mm5 s LEU 127 CO -0.09 -0.35 1.06 -2.16 0.02 0.00 0.00 176.35 174.84 1mm5 s PRO 128 N -0.85 3.42 -0.16 1.29 0.04 -1.26 -2.60 135.00 134.88 1mm5 s PRO 128 Ca -0.09 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 1mm5 s PRO 128 Cb -0.04 -2.04 0.13 0.00 0.04 0.00 0.00 34.50 32.58 1mm5 s PRO 128 CO 0.03 -0.74 1.01 -0.48 0.04 0.00 0.00 177.00 176.86 1mm5 s LEU 129 N -4.18 -0.36 0.57 -3.56 2.34 -0.64 -2.50 118.68 110.36 1mm5 s LEU 129 Ca 0.66 0.38 0.07 0.00 0.06 0.00 0.00 54.13 55.29 1mm5 s LEU 129 Cb -0.17 1.84 0.06 0.00 -0.56 0.00 0.00 46.19 47.36 1mm5 s LEU 129 CO 0.32 -0.34 0.54 0.00 -1.06 0.00 0.00 176.35 175.81 1mm5 s ALA 130 N -1.16 4.59 -0.15 1.48 0.00 0.43 -2.16 121.76 124.79 1mm5 s ALA 130 Ca -0.01 -1.45 -0.12 0.00 0.00 0.00 0.00 51.96 50.38 1mm5 s ALA 130 Cb -0.00 -0.93 0.04 0.00 0.00 0.00 0.00 23.12 22.23 1mm5 s ALA 130 CO 0.01 -0.62 0.39 -1.12 0.00 0.00 0.00 175.76 174.41 1mm5 s SER 131 N -4.44 -0.43 -0.10 0.00 0.01 -1.07 -2.59 113.70 105.09 1mm5 s SER 131 Ca 0.41 0.80 -0.03 0.00 1.31 0.00 0.00 55.95 58.44 1mm5 s SER 131 Cb -0.03 0.76 0.04 0.00 0.21 0.00 0.00 66.02 67.00 1mm5 s SER 131 CO 0.26 -0.15 0.06 0.68 0.41 0.00 0.00 173.24 174.50 1mm5 s VAL 132 N 0.63 -0.02 0.14 3.43 -7.23 -0.05 -1.36 120.40 115.94 1mm5 s VAL 132 Ca -0.03 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 1mm5 s VAL 132 Cb -0.05 -0.39 -0.04 0.00 0.56 0.00 0.00 36.38 36.46 1mm5 s VAL 132 CO -0.04 0.00 0.30 -0.83 -0.31 0.00 0.00 175.10 174.22 1mm5 s GLY 133 N 2.12 1.90 -0.27 2.32 0.00 -0.87 -0.42 107.32 112.10 1mm5 s GLY 133 Ca 0.04 -0.89 -0.03 0.00 0.00 0.00 0.00 44.72 43.83 1mm5 s GLY 133 CO -0.06 -0.87 0.50 -0.47 0.00 0.00 0.00 173.10 172.21 1mm5 s TYR 134 N -1.71 -1.21 0.00 1.90 5.04 0.46 -2.60 117.35 119.23 1mm5 s TYR 134 Ca 0.36 1.43 0.00 0.00 -2.44 0.00 0.00 57.07 56.42 1mm5 s TYR 134 Cb -0.12 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.56 1mm5 s TYR 134 CO 0.28 -0.76 0.00 0.41 -1.34 0.00 0.00 175.55 174.14 1mm5 n GLY 135 N 5.40 3.39 1.22 8.97 0.00 -1.26 -1.89 105.19 121.03 1mm5 n GLY 135 Ca -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 1mm5 n GLY 135 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mm5 n PRO 136 N 14.00 2.21 -3.88 1.61 -0.04 -1.26 -4.84 135.00 142.79 1mm5 n PRO 136 Ca 0.00 -1.26 -0.11 0.00 -0.04 0.00 0.00 63.50 62.09 1mm5 n PRO 136 Cb 0.00 -1.69 -0.12 0.00 -0.04 0.00 0.00 33.50 31.64 1mm5 n PRO 136 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1mm5 s VAL 137 N -1.58 0.04 -0.06 0.52 -7.23 -0.79 -4.84 120.40 106.46 1mm5 s VAL 137 Ca 0.22 -0.31 0.04 0.00 -1.81 0.00 0.00 61.98 60.12 1mm5 s VAL 137 Cb 0.18 -0.20 0.00 0.00 0.56 0.00 0.00 36.38 36.92 1mm5 s VAL 137 CO 0.06 -0.17 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.61 1mm5 s THR 138 N -0.52 1.53 -0.01 5.32 2.01 -0.93 -0.41 115.64 122.63 1mm5 s THR 138 Ca -0.06 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.21 1mm5 s THR 138 Cb -0.04 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 1mm5 s THR 138 CO 0.00 0.44 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.99 1mm5 s PHE 139 N 0.25 3.02 0.03 4.92 0.08 0.44 -0.44 117.98 126.27 1mm5 s PHE 139 Ca -0.10 0.05 0.06 0.00 0.12 0.00 0.00 56.93 57.06 1mm5 s PHE 139 Cb -0.14 -1.66 -0.02 0.00 -0.57 0.00 0.00 43.02 40.63 1mm5 s PHE 139 CO 0.04 0.43 -0.17 -1.14 -0.10 0.00 0.00 175.22 174.28 1mm5 s GLN 140 N -1.43 1.18 -0.05 0.44 -0.44 0.26 -0.87 119.66 118.76 1mm5 s GLN 140 Ca 0.18 -0.78 0.01 0.00 -2.50 0.00 0.00 55.36 52.27 1mm5 s GLN 140 Cb -0.11 -1.22 0.02 0.00 -1.64 0.00 0.00 33.01 30.06 1mm5 s GLN 140 CO 0.08 0.31 -0.06 -1.64 0.50 0.00 0.00 175.29 174.49 1mm5 s MET 141 N -0.98 0.99 0.16 1.67 -1.94 -1.07 -1.47 119.30 116.65 1mm5 s MET 141 Ca 0.05 -0.17 0.11 0.00 -1.71 0.00 0.00 55.69 53.96 1mm5 s MET 141 Cb -0.08 -0.93 -0.04 0.00 2.01 0.00 0.00 34.83 35.79 1mm5 s MET 141 CO 0.01 -0.04 -0.25 -0.08 -0.01 0.00 0.00 175.02 174.64 1mm5 s THR 142 N 0.79 2.28 -0.02 2.05 -1.32 -1.07 -0.43 115.64 117.92 1mm5 s THR 142 Ca -0.12 -1.88 0.03 0.00 -1.21 0.00 0.00 61.69 58.51 1mm5 s THR 142 Cb -0.14 -2.04 -0.00 0.00 -1.51 0.00 0.00 72.50 68.80 1mm5 s THR 142 CO 0.01 -0.02 -0.11 -0.47 -2.21 0.00 0.00 174.62 171.82 1mm5 s TYR 143 N -1.36 1.10 -0.53 9.09 6.14 -1.04 -2.59 117.35 128.16 1mm5 s TYR 143 Ca 0.17 -0.26 0.01 0.00 0.64 0.00 0.00 57.07 57.63 1mm5 s TYR 143 Cb -0.09 -0.75 0.14 0.00 0.42 0.00 0.00 41.96 41.68 1mm5 s TYR 143 CO 0.08 -0.08 0.29 0.42 0.64 0.00 0.00 175.55 176.90 1mm5 s ILE 144 N 0.03 2.98 0.27 3.14 1.09 -1.07 -4.24 121.20 123.39 1mm5 s ILE 144 Ca -0.01 -3.01 -0.29 0.00 -1.10 0.00 0.00 60.65 56.23 1mm5 s ILE 144 Cb -0.08 -3.03 -0.09 0.00 -1.06 0.00 0.00 42.46 38.20 1mm5 s ILE 144 CO 0.00 -0.80 1.14 -2.16 -0.10 0.00 0.00 174.94 173.03 1mm5 s PRO 145 N 0.01 4.58 0.00 2.79 0.04 -1.26 -2.44 135.00 138.71 1mm5 s PRO 145 Ca 0.16 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1mm5 s PRO 145 Cb -0.23 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1mm5 s PRO 145 CO -0.02 0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.53 1mm5 n GLY 146 N 1.33 4.94 0.10 0.56 0.00 -0.72 -4.83 105.19 106.57 1mm5 n GLY 146 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 1mm5 n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mm5 h THR 147 N 0.00 1.05 0.00 2.61 1.03 -1.91 -3.44 112.91 112.24 1mm5 h THR 147 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 66.30 1mm5 h THR 147 Cb 0.00 0.79 0.00 0.00 -1.07 0.00 0.00 68.15 67.87 1mm5 h THR 147 CO 0.00 0.05 0.00 -1.22 -0.01 0.00 0.00 175.52 174.34 1mm5 n TYR 148 N -4.96 -0.26 0.05 0.00 4.01 -1.26 -4.97 117.16 109.77 1mm5 n TYR 148 Ca -0.04 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.48 1mm5 n TYR 148 Cb 0.03 0.05 -0.14 0.00 -0.31 0.00 0.00 39.34 38.97 1mm5 n TYR 148 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1mm5 h ASN 149 N 0.00 0.53 0.23 7.72 2.35 -1.98 -3.34 115.58 121.10 1mm5 h ASN 149 Ca 0.00 -0.93 -0.02 0.00 -0.55 0.00 0.00 56.30 54.81 1mm5 h ASN 149 Cb 0.00 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1mm5 h ASN 149 CO 0.00 1.78 -0.08 0.78 -1.65 0.00 0.00 177.43 178.26 1mm5 h ASN 150 N 0.02 0.00 -2.91 5.81 2.35 -1.94 -3.31 115.58 115.60 1mm5 h ASN 150 Ca -0.36 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 54.78 1mm5 h ASN 150 Cb 2.02 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.99 1mm5 h ASN 150 CO 0.13 0.08 -0.70 -0.83 -1.65 0.00 0.00 177.43 174.46 1mm5 s GLY 151 N -4.16 2.37 -0.06 2.83 0.00 -1.25 -4.80 107.32 102.24 1mm5 s GLY 151 Ca -0.04 -3.37 0.02 0.00 0.00 0.00 0.00 44.72 41.33 1mm5 s GLY 151 CO 0.57 1.41 0.85 -2.01 0.00 0.00 0.00 173.10 173.93 1mm5 n ASN 152 N 2.30 -0.81 -4.56 1.64 5.15 -1.02 -1.76 115.26 116.21 1mm5 n ASN 152 Ca 0.22 -1.55 -0.29 0.00 -0.60 0.00 0.00 54.58 52.36 1mm5 n ASN 152 Cb 0.39 0.29 -0.10 0.00 -0.53 0.00 0.00 39.78 39.82 1mm5 n ASN 152 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1mm5 s VAL 153 N 0.02 3.20 0.03 3.44 1.01 -1.26 -4.98 120.40 121.86 1mm5 s VAL 153 Ca 0.02 -1.45 0.06 0.00 0.00 0.00 0.00 61.98 60.60 1mm5 s VAL 153 Cb 0.08 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1mm5 s VAL 153 CO -0.02 0.03 -0.18 -0.72 0.00 0.00 0.00 175.10 174.21 1mm5 s TYR 154 N -1.37 1.58 -0.09 5.22 1.13 -1.26 -2.59 117.35 119.98 1mm5 s TYR 154 Ca 0.22 -0.35 0.04 0.00 -1.41 0.00 0.00 57.07 55.56 1mm5 s TYR 154 Cb -0.10 -0.95 -0.01 0.00 -1.10 0.00 0.00 41.96 39.80 1mm5 s TYR 154 CO 0.13 0.06 -0.20 -0.06 -2.51 0.00 0.00 175.55 172.97 1mm5 s PHE 155 N -0.76 2.60 -0.22 -3.49 0.40 -1.07 -4.03 117.98 111.40 1mm5 s PHE 155 Ca 0.05 -0.73 -0.16 0.00 -0.60 0.00 0.00 56.93 55.50 1mm5 s PHE 155 Cb -0.08 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 1mm5 s PHE 155 CO 0.01 -0.22 0.41 0.00 0.70 0.00 0.00 175.22 176.12 1mm5 s ALA 156 N 0.04 3.56 -0.06 5.36 0.00 -1.04 -2.59 121.76 127.04 1mm5 s ALA 156 Ca -0.08 -0.60 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1mm5 s ALA 156 Cb -0.15 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 1mm5 s ALA 156 CO 0.05 -0.44 -0.22 -0.46 0.00 0.00 0.00 175.76 174.68 1mm5 s TRP 157 N 1.63 2.22 0.01 0.00 -0.11 -0.54 -3.02 118.94 119.12 1mm5 s TRP 157 Ca 0.19 -0.69 -0.19 0.00 1.22 0.00 0.00 56.10 56.62 1mm5 s TRP 157 Cb -0.15 -1.47 -0.06 0.00 -1.50 0.00 0.00 33.47 30.29 1mm5 s TRP 157 CO 0.09 -0.23 0.55 1.41 -4.62 0.00 0.00 176.95 174.15 1mm5 s MET 158 N -0.03 4.23 -0.02 5.86 -2.45 -0.78 -0.57 119.30 125.55 1mm5 s MET 158 Ca -0.06 0.66 0.07 0.00 -1.25 0.00 0.00 55.69 55.11 1mm5 s MET 158 Cb -0.14 -3.31 -0.02 0.00 1.25 0.00 0.00 34.83 32.62 1mm5 s MET 158 CO 0.04 0.47 -0.22 1.03 1.05 0.00 0.00 175.02 177.38 1mm5 s ARG 159 N -0.48 1.89 0.06 4.11 0.52 0.41 -2.41 118.95 123.05 1mm5 s ARG 159 Ca 0.29 -0.80 0.09 0.00 -0.52 0.00 0.00 55.73 54.79 1mm5 s ARG 159 Cb -0.18 -1.79 -0.03 0.00 0.52 0.00 0.00 34.95 33.47 1mm5 s ARG 159 CO 0.16 0.46 -0.25 0.12 0.02 0.00 0.00 175.30 175.81 1mm5 s PHE 160 N -0.46 2.35 -0.28 -0.53 5.36 -0.29 -2.19 117.98 121.94 1mm5 s PHE 160 Ca 0.07 -0.39 -0.04 0.00 -0.96 0.00 0.00 56.93 55.61 1mm5 s PHE 160 Cb -0.09 -1.38 0.02 0.00 -0.34 0.00 0.00 43.02 41.23 1mm5 s PHE 160 CO -0.00 0.18 0.02 -1.14 -1.46 0.00 0.00 175.22 172.81 1mm5 s GLN 161 N -1.40 2.90 0.09 10.12 0.74 -1.26 -2.32 119.66 128.53 1mm5 s GLN 161 Ca 0.13 -0.96 0.08 0.00 0.05 0.00 0.00 55.36 54.66 1mm5 s GLN 161 Cb -0.10 -3.20 -0.04 0.00 1.10 0.00 0.00 33.01 30.77 1mm5 s GLN 161 CO 0.03 -0.45 -0.16 0.12 -0.55 0.00 0.00 175.29 174.27 1mm5 s PHE 162 N 1.40 2.58 -0.05 1.67 5.36 -1.04 -5.02 117.98 122.89 1mm5 s PHE 162 Ca 0.01 -0.24 0.05 0.00 -0.96 0.00 0.00 56.93 55.79 1mm5 s PHE 162 Cb -0.17 -1.40 -0.01 0.00 -0.34 0.00 0.00 43.02 41.11 1mm5 s PHE 162 CO -0.01 0.36 -0.20 -0.48 -1.46 0.00 0.00 175.22 173.43 1mm5 s LEU 163 N -1.96 1.96 -0.10 6.12 2.34 -1.26 -2.55 118.68 123.24 1mm5 s LEU 163 Ca 0.18 -0.41 -0.17 0.00 0.06 0.00 0.00 54.13 53.79 1mm5 s LEU 163 Cb -0.11 -1.11 -0.05 0.00 -0.56 0.00 0.00 46.19 44.37 1mm5 s LEU 163 CO 0.09 0.18 0.44 -0.70 -1.06 0.00 0.00 176.35 175.31 1mm5 s GLU 164 N -0.01 4.26 0.23 1.48 -6.30 -1.26 -5.04 118.70 112.06 1mm5 s GLU 164 Ca -0.04 0.40 -0.13 0.00 -2.50 0.00 0.00 54.97 52.70 1mm5 s GLU 164 Cb -0.12 -3.39 0.00 0.00 0.00 0.00 0.00 34.13 30.61 1mm5 s GLU 164 CO 0.03 0.27 0.47 -1.58 0.02 0.00 0.00 175.26 174.47 1mm5 s HIS 165 N 0.28 0.28 0.18 5.30 2.46 -1.26 -5.05 115.29 117.48 1mm5 s HIS 165 Ca 0.24 -0.65 0.06 0.00 0.47 0.00 0.00 55.06 55.19 1mm5 s HIS 165 Cb -0.15 0.21 0.02 0.00 -0.13 0.00 0.00 32.58 32.52 1mm5 s HIS 165 CO 0.10 -0.96 1.41 1.25 -2.47 0.00 0.00 174.74 174.06 1mm5 h HIS 166 N 2.27 0.10 -4.93 3.88 2.76 -2.00 -3.49 115.15 113.74 1mm5 h HIS 166 Ca -0.27 -0.06 0.01 0.00 -2.20 0.00 0.00 60.37 57.85 1mm5 h HIS 166 Cb 1.25 -0.01 -0.12 0.00 1.55 0.00 0.00 27.41 30.07 1mm5 h HIS 166 CO 0.39 0.89 -1.54 0.72 -1.30 0.00 0.00 177.93 177.08 1mm5 n HIS 167 N -3.59 -4.50 -0.09 5.26 8.25 -1.26 -5.00 115.22 114.28 1mm5 n HIS 167 Ca -0.02 2.63 -0.12 0.00 -0.26 0.00 0.00 57.72 59.95 1mm5 n HIS 167 Cb 0.80 -3.91 -0.09 0.00 1.12 0.00 0.00 29.99 27.91 1mm5 n HIS 167 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1mm5 n HIS 168 N 1.70 0.00 -0.06 4.41 -0.00 -1.26 -4.73 115.22 115.28 1mm5 n HIS 168 Ca -0.39 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 57.73 1mm5 n HIS 168 Cb 0.60 -0.74 -0.08 0.00 -0.12 0.00 0.00 29.99 29.64 1mm5 n HIS 168 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1mm5 n HIS 169 N -2.98 0.00 0.04 1.57 8.25 -1.26 -5.35 115.22 115.49 1mm5 n HIS 169 Ca -0.33 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 1mm5 n HIS 169 Cb 0.89 -0.55 0.02 0.00 1.12 0.00 0.00 29.99 31.47 1mm5 n HIS 169 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56