#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 3.86 0.33 7.83 3.02 -1.26 -4.51 115.26 124.52 1mm4 n ASN 2 Ca 0.00 -3.45 0.22 0.00 -0.03 0.00 0.00 54.58 51.32 1mm4 n ASN 2 Cb 0.00 -0.80 1.16 0.00 -0.61 0.00 0.00 39.78 39.52 1mm4 n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mm4 h ALA 3 N 1.32 1.00 0.11 5.41 0.00 -2.05 0.17 119.26 125.22 1mm4 h ALA 3 Ca 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 1mm4 h ALA 3 Cb 2.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.47 1mm4 h ALA 3 CO 0.98 0.00 -0.05 0.22 0.00 0.00 0.00 179.25 180.40 1mm4 h ASP 4 N 0.00 -0.12 0.62 0.00 3.58 -2.01 -2.83 116.42 115.66 1mm4 h ASP 4 Ca 0.00 -0.24 -0.05 0.00 0.42 0.00 0.00 57.03 57.15 1mm4 h ASP 4 Cb 0.04 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1mm4 h ASP 4 CO 0.00 0.46 -0.26 -0.33 -2.88 0.00 0.00 179.24 176.24 1mm4 h GLU 5 N -1.00 0.00 -0.00 0.28 3.07 -1.86 -2.64 114.58 112.43 1mm4 h GLU 5 Ca -0.01 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.72 1mm4 h GLU 5 Cb 0.36 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1mm4 h GLU 5 CO 0.02 0.26 -0.59 -1.49 -1.40 0.00 0.00 179.01 175.81 1mm4 h TRP 6 N 0.00 0.02 -0.08 4.33 6.55 -0.76 -2.97 115.95 123.04 1mm4 h TRP 6 Ca -0.00 -0.01 0.02 0.00 0.95 0.00 0.00 58.89 59.85 1mm4 h TRP 6 Cb 0.64 -0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.93 1mm4 h TRP 6 CO 0.00 0.60 0.05 1.98 -1.05 0.00 0.00 178.44 180.03 1mm4 h MET 7 N 0.01 0.02 -0.66 0.49 4.05 -1.20 -1.47 114.93 116.17 1mm4 h MET 7 Ca -0.01 -0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.45 1mm4 h MET 7 Cb 1.05 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.81 1mm4 h MET 7 CO 0.08 0.01 0.44 1.79 0.23 0.00 0.00 176.91 179.46 1mm4 h THR 8 N 0.02 1.08 -0.02 -0.77 1.35 -1.63 0.41 112.91 113.35 1mm4 h THR 8 Ca 0.03 -0.27 -0.21 0.00 -0.55 0.00 0.00 66.41 65.42 1mm4 h THR 8 Cb 0.12 0.24 0.02 0.00 -1.73 0.00 0.00 68.15 66.79 1mm4 h THR 8 CO -0.00 0.14 -0.82 0.74 -0.25 0.00 0.00 175.52 175.33 1mm4 h THR 9 N 0.77 1.34 -0.04 6.82 2.02 -1.44 -3.25 112.91 119.14 1mm4 h THR 9 Ca 0.27 -2.13 -0.11 0.00 0.77 0.00 0.00 66.41 65.21 1mm4 h THR 9 Cb 0.10 2.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1mm4 h THR 9 CO -0.08 0.65 -0.48 -0.26 0.37 0.00 0.00 175.52 175.72 1mm4 h PHE 10 N 0.20 0.12 -0.42 3.16 0.04 -1.23 -2.91 116.94 115.90 1mm4 h PHE 10 Ca -0.10 -0.04 0.11 0.00 2.80 0.00 0.00 57.97 60.75 1mm4 h PHE 10 Cb 1.49 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 39.60 1mm4 h PHE 10 CO 0.12 0.56 0.30 -0.09 -0.60 0.00 0.00 178.31 178.60 1mm4 h ARG 11 N 0.08 0.06 -0.37 1.51 2.43 -0.22 -0.97 114.38 116.90 1mm4 h ARG 11 Ca 0.00 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1mm4 h ARG 11 Cb 0.88 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1mm4 h ARG 11 CO 0.07 0.04 -0.16 1.49 -1.51 0.00 0.00 179.97 179.89 1mm4 h GLU 12 N 0.06 0.77 -0.44 0.20 4.81 -1.60 0.51 114.58 118.89 1mm4 h GLU 12 Ca 0.20 -0.33 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 1mm4 h GLU 12 Cb 0.72 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1mm4 h GLU 12 CO -0.01 0.95 -0.11 -0.91 -0.73 0.00 0.00 179.01 178.20 1mm4 h ASN 13 N 0.57 0.85 0.57 1.04 -0.26 -1.32 -2.79 115.58 114.23 1mm4 h ASN 13 Ca 0.09 -0.36 -0.13 0.00 -0.56 0.00 0.00 56.30 55.34 1mm4 h ASN 13 Cb 0.71 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.72 1mm4 h ASN 13 CO 0.05 1.02 -0.59 0.40 -1.06 0.00 0.00 177.43 177.25 1mm4 h ILE 14 N 0.68 1.42 0.40 2.81 1.08 -1.30 -2.06 117.51 120.53 1mm4 h ILE 14 Ca 0.11 -2.02 -0.02 0.00 -0.39 0.00 0.00 64.86 62.54 1mm4 h ILE 14 Cb 0.65 2.08 0.00 0.00 -3.07 0.00 0.00 36.82 36.48 1mm4 h ILE 14 CO 0.04 0.58 -0.19 0.00 -0.69 0.00 0.00 178.15 177.89 1mm4 h ALA 15 N 1.38 -0.53 -0.30 1.87 0.00 -0.73 0.13 119.26 121.08 1mm4 h ALA 15 Ca -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1mm4 h ALA 15 Cb 1.05 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1mm4 h ALA 15 CO 0.08 -0.74 -0.03 -0.56 0.00 0.00 0.00 179.25 177.99 1mm4 h GLN 16 N -0.65 0.55 -0.93 0.00 3.07 -1.54 -2.79 115.11 112.82 1mm4 h GLN 16 Ca -0.05 -0.19 0.02 0.00 0.09 0.00 0.00 58.65 58.52 1mm4 h GLN 16 Cb 0.47 -0.04 -0.05 0.00 0.08 0.00 0.00 27.48 27.94 1mm4 h GLN 16 CO 0.09 0.72 0.61 1.15 0.09 0.00 0.00 178.83 181.49 1mm4 h THR 17 N 0.33 1.20 -0.23 1.86 2.02 -1.36 -1.54 112.91 115.18 1mm4 h THR 17 Ca 0.08 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 1mm4 h THR 17 Cb 0.49 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1mm4 h THR 17 CO 0.02 0.22 -0.05 -0.25 0.37 0.00 0.00 175.52 175.84 1mm4 h TRP 18 N 1.22 0.36 -0.62 3.16 7.01 -0.61 -2.57 115.95 123.89 1mm4 h TRP 18 Ca 0.35 -0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.23 1mm4 h TRP 18 Cb -0.08 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 26.85 1mm4 h TRP 18 CO -0.00 0.41 0.04 0.37 -2.79 0.00 0.00 178.44 176.47 1mm4 h GLN 19 N 0.34 1.08 -3.48 2.65 4.15 -1.02 -3.49 115.11 115.34 1mm4 h GLN 19 Ca 0.07 -0.32 0.37 0.00 0.77 0.00 0.00 58.65 59.54 1mm4 h GLN 19 Cb 0.31 -0.11 -0.16 0.00 0.21 0.00 0.00 27.48 27.73 1mm4 h GLN 19 CO 0.01 1.03 -1.04 1.04 -1.93 0.00 0.00 178.83 177.95 1mm4 n GLN 20 N -4.20 -3.26 -2.06 1.69 3.00 -0.97 -4.40 117.38 107.18 1mm4 n GLN 20 Ca 0.03 2.51 -0.28 0.00 -0.01 0.00 0.00 57.00 59.25 1mm4 n GLN 20 Cb 0.33 -3.86 -0.05 0.00 0.00 0.00 0.00 30.24 26.66 1mm4 n GLN 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1mm4 s PRO 21 N -3.61 2.59 -0.09 -1.09 0.04 -1.26 -4.66 135.00 126.92 1mm4 s PRO 21 Ca 0.00 -0.26 0.21 0.00 0.04 0.00 0.00 61.00 60.99 1mm4 s PRO 21 Cb 0.00 -5.03 0.44 0.00 0.04 0.00 0.00 34.50 29.95 1mm4 s PRO 21 CO 0.00 -3.30 1.18 0.39 0.04 0.00 0.00 177.00 175.30 1mm4 n GLU 22 N 8.88 0.70 -2.01 4.56 -0.58 -1.26 -4.61 120.64 126.32 1mm4 n GLU 22 Ca 0.39 -2.55 -0.41 0.00 -0.42 0.00 0.00 57.16 54.16 1mm4 n GLU 22 Cb 0.47 -0.64 -0.02 0.00 -0.57 0.00 0.00 31.44 30.68 1mm4 n GLU 22 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1mm4 s HIS 23 N -1.31 2.95 -0.23 -0.32 3.76 -1.26 -4.86 115.29 114.02 1mm4 s HIS 23 Ca 0.35 1.20 -0.06 0.00 -0.15 0.00 0.00 55.06 56.39 1mm4 s HIS 23 Cb 0.38 -3.81 -0.03 0.00 1.11 0.00 0.00 32.58 30.24 1mm4 s HIS 23 CO -0.12 -2.43 0.04 0.71 -0.85 0.00 0.00 174.74 172.09 1mm4 s TYR 24 N -0.63 3.08 -0.23 1.40 1.51 -1.06 -4.09 117.35 117.32 1mm4 s TYR 24 Ca 0.54 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 56.18 1mm4 s TYR 24 Cb -0.42 -2.18 0.03 0.00 -0.11 0.00 0.00 41.96 39.28 1mm4 s TYR 24 CO 0.50 -0.30 -0.11 -0.51 -1.11 0.00 0.00 175.55 174.03 1mm4 s ASP 25 N 1.35 4.01 -0.27 2.29 -0.00 -0.87 -1.16 116.67 122.01 1mm4 s ASP 25 Ca 0.05 -0.87 -0.09 0.00 -0.00 0.00 0.00 52.55 51.63 1mm4 s ASP 25 Cb -0.15 -1.60 -0.03 0.00 -0.00 0.00 0.00 42.92 41.14 1mm4 s ASP 25 CO 0.03 -0.10 0.14 -0.22 -0.00 0.00 0.00 175.17 175.02 1mm4 s LEU 26 N 1.29 3.81 0.12 1.23 0.20 -0.89 -0.50 118.68 123.94 1mm4 s LEU 26 Ca 0.00 -0.17 0.07 0.00 0.69 0.00 0.00 54.13 54.73 1mm4 s LEU 26 Cb -0.16 -2.03 -0.04 0.00 -0.43 0.00 0.00 46.19 43.53 1mm4 s LEU 26 CO -0.07 -0.07 -0.10 -0.72 -0.29 0.00 0.00 176.35 175.10 1mm4 s TYR 27 N 1.68 2.72 0.03 5.38 -0.85 -0.89 -0.43 117.35 124.98 1mm4 s TYR 27 Ca 0.06 -0.17 -0.19 0.00 -0.52 0.00 0.00 57.07 56.26 1mm4 s TYR 27 Cb -0.16 -1.41 0.04 0.00 0.38 0.00 0.00 41.96 40.81 1mm4 s TYR 27 CO 0.07 0.44 0.42 0.96 -1.52 0.00 0.00 175.55 175.92 1mm4 s ILE 28 N -1.30 0.05 0.00 -3.49 -4.36 -1.04 -2.47 121.20 108.60 1mm4 s ILE 28 Ca 0.22 -0.42 0.00 0.00 -0.26 0.00 0.00 60.65 60.19 1mm4 s ILE 28 Cb -0.11 -0.90 0.00 0.00 1.25 0.00 0.00 42.46 42.70 1mm4 s ILE 28 CO 0.14 -0.23 0.00 -0.81 0.24 0.00 0.00 174.94 174.28 1mm4 n PRO 29 N 0.67 -0.64 0.00 0.37 -0.04 -1.26 -2.58 135.00 131.52 1mm4 n PRO 29 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1mm4 n PRO 29 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1mm4 n PRO 29 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mm4 n ALA 30 N -3.00 0.00 -3.51 0.55 0.00 -1.26 -4.77 120.51 108.52 1mm4 n ALA 30 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1mm4 n ALA 30 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1mm4 n ALA 30 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1mm4 s ILE 31 N -0.97 0.00 -0.65 0.00 1.10 -1.26 -5.05 121.20 114.37 1mm4 s ILE 31 Ca 0.00 -0.03 -0.07 0.00 -0.51 0.00 0.00 60.65 60.04 1mm4 s ILE 31 Cb 0.00 -0.90 0.17 0.00 0.15 0.00 0.00 42.46 41.88 1mm4 s ILE 31 CO 0.00 -0.02 0.51 0.42 -2.11 0.00 0.00 174.94 173.74 1mm4 s THR 32 N -0.19 4.31 -0.16 4.00 -4.23 -1.26 -5.05 115.64 113.07 1mm4 s THR 32 Ca -0.04 -2.59 0.01 0.00 -1.18 0.00 0.00 61.69 57.89 1mm4 s THR 32 Cb -0.03 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 70.04 1mm4 s THR 32 CO 0.04 -0.90 -0.17 0.26 -0.54 0.00 0.00 174.62 173.31 1mm4 s TRP 33 N 0.29 2.76 0.00 3.99 0.52 -1.26 -4.86 118.94 120.39 1mm4 s TRP 33 Ca 0.15 -1.18 0.00 0.00 0.02 0.00 0.00 56.10 55.08 1mm4 s TRP 33 Cb -0.19 -1.89 0.00 0.00 -1.15 0.00 0.00 33.47 30.25 1mm4 s TRP 33 CO -0.04 -0.55 0.00 1.58 0.02 0.00 0.00 176.95 177.95 1mm4 n HIS 34 N 4.18 -1.00 0.06 -1.98 -0.00 -1.26 -4.96 115.22 110.26 1mm4 n HIS 34 Ca -0.19 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 57.86 1mm4 n HIS 34 Cb 0.51 0.20 -0.03 0.00 -0.12 0.00 0.00 29.99 30.55 1mm4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1mm4 h ALA 35 N 0.00 0.40 -3.36 1.57 0.00 -2.06 -3.47 119.26 112.34 1mm4 h ALA 35 Ca 0.00 -0.69 -0.40 0.00 0.00 0.00 0.00 54.91 53.82 1mm4 h ALA 35 Cb 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1mm4 h ALA 35 CO 0.00 0.80 -0.54 -2.13 0.00 0.00 0.00 179.25 177.38 1mm4 n ARG 36 N -3.77 -2.65 -3.05 0.00 0.63 -1.26 -4.93 116.66 101.63 1mm4 n ARG 36 Ca -0.06 0.95 -0.02 0.00 -0.92 0.00 0.00 57.85 57.80 1mm4 n ARG 36 Cb 0.81 -5.64 -0.01 0.00 0.45 0.00 0.00 32.46 28.08 1mm4 n ARG 36 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1mm4 s PHE 37 N -3.06 -1.63 -0.11 -0.14 2.19 -1.26 -5.13 117.98 108.84 1mm4 s PHE 37 Ca 0.10 -0.10 -0.30 0.00 0.33 0.00 0.00 56.93 56.96 1mm4 s PHE 37 Cb -0.04 0.29 -0.01 0.00 -1.31 0.00 0.00 43.02 41.94 1mm4 s PHE 37 CO 0.12 -1.21 1.09 0.00 1.83 0.00 0.00 175.22 177.05 1mm4 s ALA 38 N 1.46 3.49 0.69 11.12 0.00 -1.26 -5.01 121.76 132.25 1mm4 s ALA 38 Ca 0.21 0.43 -0.16 0.00 0.00 0.00 0.00 51.96 52.44 1mm4 s ALA 38 Cb -0.03 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1mm4 s ALA 38 CO -0.06 -0.76 1.19 0.71 0.00 0.00 0.00 175.76 176.84 1mm4 s TYR 39 N 2.35 2.22 -0.24 0.00 2.02 -1.26 -5.01 117.35 117.43 1mm4 s TYR 39 Ca 0.50 1.58 -0.07 0.00 -0.37 0.00 0.00 57.07 58.71 1mm4 s TYR 39 Cb -0.20 -3.41 -0.03 0.00 -0.40 0.00 0.00 41.96 37.92 1mm4 s TYR 39 CO 0.17 -2.35 0.06 -0.51 -1.57 0.00 0.00 175.55 171.35 1mm4 s ASP 40 N -2.07 5.05 0.36 2.29 1.11 -1.26 -5.07 116.67 117.08 1mm4 s ASP 40 Ca 0.73 -0.22 -0.16 0.00 0.18 0.00 0.00 52.55 53.08 1mm4 s ASP 40 Cb -0.28 -1.90 0.05 0.00 1.07 0.00 0.00 42.92 41.86 1mm4 s ASP 40 CO 0.42 -0.03 0.76 -0.75 1.18 0.00 0.00 175.17 176.76 1mm4 s LYS 41 N 1.57 2.14 0.17 8.23 2.20 -1.26 -5.15 119.74 127.64 1mm4 s LYS 41 Ca 0.06 -1.37 0.11 0.00 -0.36 0.00 0.00 55.97 54.41 1mm4 s LYS 41 Cb -0.15 0.62 -0.04 0.00 -1.51 0.00 0.00 37.83 36.74 1mm4 s LYS 41 CO 0.03 -1.00 -0.24 -2.00 -0.36 0.00 0.00 175.35 171.78 1mm4 s GLU 42 N -2.63 1.52 0.00 4.03 -6.30 -1.26 -4.89 118.70 109.17 1mm4 s GLU 42 Ca 0.15 -1.44 0.00 0.00 -2.50 0.00 0.00 54.97 51.18 1mm4 s GLU 42 Cb -0.05 -1.89 0.00 0.00 0.00 0.00 0.00 34.13 32.19 1mm4 s GLU 42 CO 0.11 0.42 0.00 1.63 0.02 0.00 0.00 175.26 177.44 1mm4 n LYS 43 N 0.48 0.00 -3.61 4.30 5.02 -1.26 -4.58 118.16 118.50 1mm4 n LYS 43 Ca -0.14 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.09 1mm4 n LYS 43 Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.51 1mm4 n LYS 43 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1mm4 s THR 44 N 0.00 0.00 -0.15 -0.18 -1.32 -1.26 -4.99 115.64 107.74 1mm4 s THR 44 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 1mm4 s THR 44 Cb 0.00 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.88 1mm4 s THR 44 CO 0.00 0.00 -0.11 -0.67 -2.21 0.00 0.00 174.62 171.63 1mm4 n ASP 45 N 0.67 2.64 0.00 8.08 2.03 -1.26 -5.01 116.55 123.69 1mm4 n ASP 45 Ca -0.05 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1mm4 n ASP 45 Cb 0.58 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1mm4 n ASP 45 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1mm4 n ARG 46 N -2.87 0.00 -4.46 -0.67 -4.01 -1.26 -5.15 116.66 98.25 1mm4 n ARG 46 Ca -0.26 0.00 -0.23 0.00 -1.04 0.00 0.00 57.85 56.32 1mm4 n ARG 46 Cb 0.81 0.00 -0.10 0.00 -3.04 0.00 0.00 32.46 30.13 1mm4 n ARG 46 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 1mm4 s TYR 47 N -0.97 2.11 -0.14 2.89 2.02 -1.26 -5.14 117.35 116.86 1mm4 s TYR 47 Ca 0.00 -0.54 -0.01 0.00 -0.37 0.00 0.00 57.07 56.15 1mm4 s TYR 47 Cb 0.00 -1.11 -0.02 0.00 -0.40 0.00 0.00 41.96 40.44 1mm4 s TYR 47 CO 0.00 0.47 -0.11 -0.80 -1.57 0.00 0.00 175.55 173.54 1mm4 s ASN 48 N -3.48 4.18 0.70 2.29 -0.87 -1.26 -4.99 114.94 111.51 1mm4 s ASN 48 Ca 0.29 -0.29 -0.10 0.00 -1.57 0.00 0.00 52.86 51.20 1mm4 s ASN 48 Cb 0.01 -1.65 0.03 0.00 -0.02 0.00 0.00 41.25 39.62 1mm4 s ASN 48 CO 0.13 0.16 1.06 -1.61 -2.57 0.00 0.00 177.10 174.28 1mm4 s GLU 49 N 0.37 2.65 -0.01 -0.60 0.41 -1.26 -5.04 118.70 115.22 1mm4 s GLU 49 Ca -0.09 0.24 -0.25 0.00 -0.41 0.00 0.00 54.97 54.45 1mm4 s GLU 49 Cb -0.16 -2.07 -0.04 0.00 -1.78 0.00 0.00 34.13 30.08 1mm4 s GLU 49 CO 0.05 -1.08 0.78 1.03 -0.49 0.00 0.00 175.26 175.55 1mm4 s ARG 50 N -5.31 4.49 0.17 1.61 1.81 -1.26 -5.06 118.95 115.40 1mm4 s ARG 50 Ca 0.58 1.06 -0.03 0.00 -1.72 0.00 0.00 55.73 55.63 1mm4 s ARG 50 Cb -0.11 -3.42 0.04 0.00 -0.45 0.00 0.00 34.95 31.01 1mm4 s ARG 50 CO 0.49 0.13 0.09 -2.30 -0.68 0.00 0.00 175.30 173.03 1mm4 n PRO 51 N 3.41 -1.15 -2.56 3.54 -0.02 -1.26 -4.97 135.00 131.99 1mm4 n PRO 51 Ca -0.00 -0.15 -0.17 0.00 -2.02 0.00 0.00 63.50 61.15 1mm4 n PRO 51 Cb 0.51 -0.23 0.02 0.00 -0.02 0.00 0.00 33.50 33.77 1mm4 n PRO 51 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1mm4 n TRP 52 N -3.04 2.27 -0.44 6.00 -0.00 -1.25 -5.05 117.44 115.92 1mm4 n TRP 52 Ca 0.01 -2.88 -0.29 0.00 -0.00 0.00 0.00 57.50 54.35 1mm4 n TRP 52 Cb 0.06 -0.23 0.26 0.00 -0.00 0.00 0.00 31.31 31.40 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 -0.31 -2.51 0.00 5.87 0.00 -1.26 -4.73 105.19 102.25 1mm4 n GLY 53 Ca 0.24 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 1.34 3.48 1.55 -0.02 0.00 -1.06 -4.54 105.19 105.94 1mm4 n GLY 54 Ca 0.04 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 1mm4 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mm4 n GLY 55 N -0.84 2.14 3.53 -0.02 0.00 -1.03 -2.59 105.19 106.37 1mm4 n GLY 55 Ca 0.00 -1.30 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 1mm4 n GLY 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mm4 s PHE 56 N -5.05 1.92 0.03 1.61 -0.71 0.43 -2.10 117.98 114.12 1mm4 s PHE 56 Ca 0.10 -1.06 -0.17 0.00 -1.04 0.00 0.00 56.93 54.76 1mm4 s PHE 56 Cb -0.01 -1.32 0.03 0.00 -1.21 0.00 0.00 43.02 40.51 1mm4 s PHE 56 CO 0.07 -0.04 0.39 0.20 -1.34 0.00 0.00 175.22 174.50 1mm4 s GLY 57 N -3.60 -0.24 0.53 1.99 0.00 0.35 -1.91 107.32 104.44 1mm4 s GLY 57 Ca 0.27 0.30 0.05 0.00 0.00 0.00 0.00 44.72 45.35 1mm4 s GLY 57 CO 0.14 0.06 0.37 1.08 0.00 0.00 0.00 173.10 174.74 1mm4 s LEU 58 N -1.88 2.71 0.01 0.66 1.02 -1.07 -2.05 118.68 118.08 1mm4 s LEU 58 Ca -0.07 -1.25 -0.06 0.00 0.02 0.00 0.00 54.13 52.77 1mm4 s LEU 58 Cb -0.01 -1.20 -0.00 0.00 0.02 0.00 0.00 46.19 45.00 1mm4 s LEU 58 CO -0.01 -1.05 0.12 -0.55 0.02 0.00 0.00 176.35 174.87 1mm4 s SER 59 N -4.24 0.06 -0.15 2.29 0.15 -1.26 -2.54 113.70 108.02 1mm4 s SER 59 Ca 0.33 -0.27 -0.14 0.00 0.70 0.00 0.00 55.95 56.57 1mm4 s SER 59 Cb -0.02 0.20 0.04 0.00 -1.71 0.00 0.00 66.02 64.53 1mm4 s SER 59 CO 0.20 -0.38 0.40 -0.60 1.20 0.00 0.00 173.24 174.07 1mm4 s ARG 60 N -1.52 0.47 -0.09 5.44 3.52 -0.18 -4.48 118.95 122.10 1mm4 s ARG 60 Ca -0.14 0.57 -0.19 0.00 -0.13 0.00 0.00 55.73 55.85 1mm4 s ARG 60 Cb -0.07 0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.49 1mm4 s ARG 60 CO 0.01 -0.06 0.51 1.67 -0.81 0.00 0.00 175.30 176.61 1mm4 s TRP 61 N 0.28 3.55 -0.17 5.12 1.48 -1.26 -1.93 118.94 126.00 1mm4 s TRP 61 Ca -0.01 0.97 -0.04 0.00 -1.06 0.00 0.00 56.10 55.96 1mm4 s TRP 61 Cb -0.03 -2.57 -0.03 0.00 -1.16 0.00 0.00 33.47 29.69 1mm4 s TRP 61 CO -0.00 0.21 -0.02 -0.51 -4.06 0.00 0.00 176.95 172.57 1mm4 s ASP 62 N 0.43 4.79 0.64 -2.66 -0.00 0.47 -4.98 116.67 115.37 1mm4 s ASP 62 Ca 0.28 -0.16 0.31 0.00 -0.00 0.00 0.00 52.55 52.97 1mm4 s ASP 62 Cb -0.16 -1.80 1.68 0.00 -0.00 0.00 0.00 42.92 42.65 1mm4 s ASP 62 CO 0.12 0.13 1.99 -0.08 -0.00 0.00 0.00 175.17 177.33 1mm4 h GLU 63 N 7.02 0.00 -0.91 8.23 4.57 -1.98 0.13 114.58 131.64 1mm4 h GLU 63 Ca -0.33 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.67 1mm4 h GLU 63 Cb 1.19 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.67 1mm4 h GLU 63 CO 0.62 0.00 0.23 1.63 -1.18 0.00 0.00 179.01 180.31 1mm4 n LYS 64 N -3.24 2.29 -3.08 1.92 5.02 -1.26 -4.87 118.16 114.95 1mm4 n LYS 64 Ca 0.01 -1.73 -0.13 0.00 -2.02 0.00 0.00 58.31 54.44 1mm4 n LYS 64 Cb 0.40 -1.77 0.07 0.00 -0.02 0.00 0.00 35.03 33.71 1mm4 n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mm4 n GLY 65 N -0.12 -0.25 3.21 0.72 0.00 0.44 -5.04 105.19 104.15 1mm4 n GLY 65 Ca 0.27 0.03 -0.15 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.96 1.65 -0.42 1.61 -0.87 -1.09 -4.98 114.94 106.89 1mm4 s ASN 66 Ca 0.05 -0.89 0.02 0.00 -1.57 0.00 0.00 52.86 50.46 1mm4 s ASN 66 Cb -0.01 -0.01 0.14 0.00 -0.02 0.00 0.00 41.25 41.35 1mm4 s ASN 66 CO 0.57 -0.27 0.23 0.26 -2.57 0.00 0.00 177.10 175.32 1mm4 s TRP 67 N -2.74 1.82 0.25 2.20 0.52 -0.97 -0.39 118.94 119.63 1mm4 s TRP 67 Ca 0.10 -2.31 -0.30 0.00 0.02 0.00 0.00 56.10 53.62 1mm4 s TRP 67 Cb -0.01 -1.76 -0.09 0.00 -1.15 0.00 0.00 33.47 30.45 1mm4 s TRP 67 CO 0.01 -0.79 1.25 -1.01 0.02 0.00 0.00 176.95 176.42 1mm4 s HIS 68 N 0.48 3.30 -0.03 -1.98 3.76 -0.81 -2.15 115.29 117.84 1mm4 s HIS 68 Ca 0.17 1.41 0.01 0.00 -0.15 0.00 0.00 55.06 56.50 1mm4 s HIS 68 Cb -0.24 -3.53 0.02 0.00 1.11 0.00 0.00 32.58 29.94 1mm4 s HIS 68 CO 0.00 -1.48 -0.05 0.20 -0.85 0.00 0.00 174.74 172.56 1mm4 s GLY 69 N -0.18 0.41 0.14 -2.22 0.00 -0.48 -1.01 107.32 103.98 1mm4 s GLY 69 Ca 0.51 -0.07 -0.18 0.00 0.00 0.00 0.00 44.72 44.98 1mm4 s GLY 69 CO 0.43 0.31 0.61 -2.27 0.00 0.00 0.00 173.10 172.18 1mm4 s LEU 70 N 0.70 4.43 -0.16 0.66 1.98 -1.05 -2.42 118.68 122.82 1mm4 s LEU 70 Ca -0.09 1.27 0.00 0.00 -2.89 0.00 0.00 54.13 52.42 1mm4 s LEU 70 Cb -0.12 -3.20 0.03 0.00 0.66 0.00 0.00 46.19 43.56 1mm4 s LEU 70 CO 0.00 0.16 -0.13 -0.31 -1.89 0.00 0.00 176.35 174.18 1mm4 s TYR 71 N -1.32 2.24 -0.20 5.38 1.51 -1.07 -2.59 117.35 121.30 1mm4 s TYR 71 Ca 0.35 -1.33 -0.04 0.00 -1.01 0.00 0.00 57.07 55.04 1mm4 s TYR 71 Cb -0.18 -1.61 0.09 0.00 -0.11 0.00 0.00 41.96 40.16 1mm4 s TYR 71 CO 0.20 -0.69 0.20 0.00 -1.11 0.00 0.00 175.55 174.15 1mm4 s ALA 72 N 1.46 -0.16 0.32 3.71 0.00 -0.80 -2.02 121.76 124.28 1mm4 s ALA 72 Ca 0.03 0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.21 1mm4 s ALA 72 Cb -0.14 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 1mm4 s ALA 72 CO -0.10 -1.21 0.25 0.00 0.00 0.00 0.00 175.76 174.70 1mm4 s MET 73 N 2.30 1.70 -0.14 0.00 0.23 -1.00 -0.42 119.30 121.97 1mm4 s MET 73 Ca 0.06 -1.99 -0.12 0.00 -1.03 0.00 0.00 55.69 52.61 1mm4 s MET 73 Cb -0.16 0.24 0.04 0.00 -1.53 0.00 0.00 34.83 33.42 1mm4 s MET 73 CO -0.12 -0.60 0.38 0.00 -2.03 0.00 0.00 175.02 172.65 1mm4 s ALA 74 N -3.51 -0.93 -0.20 3.16 0.00 -1.07 -0.99 121.76 118.22 1mm4 s ALA 74 Ca 0.39 1.13 -0.03 0.00 0.00 0.00 0.00 51.96 53.46 1mm4 s ALA 74 Cb 0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 1mm4 s ALA 74 CO 0.25 -0.19 -0.08 -0.59 0.00 0.00 0.00 175.76 175.15 1mm4 s PHE 75 N 0.43 2.91 -0.04 0.00 -0.12 -1.07 -2.57 117.98 117.52 1mm4 s PHE 75 Ca -0.02 -0.94 0.04 0.00 -0.05 0.00 0.00 56.93 55.96 1mm4 s PHE 75 Cb -0.04 -2.03 -0.03 0.00 -0.63 0.00 0.00 43.02 40.30 1mm4 s PHE 75 CO -0.02 -0.50 -0.14 -1.59 -0.05 0.00 0.00 175.22 172.92 1mm4 s LYS 76 N 1.21 2.47 0.40 1.99 0.00 -1.26 -2.13 119.74 122.42 1mm4 s LYS 76 Ca 0.02 -0.71 0.07 0.00 0.00 0.00 0.00 55.97 55.35 1mm4 s LYS 76 Cb -0.14 -2.37 -0.08 0.00 0.00 0.00 0.00 37.83 35.24 1mm4 s LYS 76 CO -0.03 0.62 -0.01 -0.51 0.00 0.00 0.00 175.35 175.43 1mm4 s ASP 77 N -0.79 3.85 0.31 0.03 1.11 -0.91 -3.77 116.67 116.50 1mm4 s ASP 77 Ca 0.12 -1.34 0.12 0.00 0.18 0.00 0.00 52.55 51.63 1mm4 s ASP 77 Cb -0.11 -0.39 0.50 0.00 1.07 0.00 0.00 42.92 43.99 1mm4 s ASP 77 CO 0.01 -0.41 1.68 0.28 1.18 0.00 0.00 175.17 177.91 1mm4 h SER 78 N 1.81 0.00 0.00 0.27 0.02 -1.99 -3.38 113.55 110.28 1mm4 h SER 78 Ca -0.44 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.50 1mm4 h SER 78 Cb 1.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 1mm4 h SER 78 CO 0.79 0.52 -1.06 1.87 -1.14 0.00 0.00 176.83 177.81 1mm4 n TRP 79 N -3.82 0.00 -2.53 3.45 -0.00 -1.26 -5.00 117.44 108.28 1mm4 n TRP 79 Ca -0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 57.06 1mm4 n TRP 79 Cb 0.55 -0.04 -0.02 0.00 -0.00 0.00 0.00 31.31 31.80 1mm4 n TRP 79 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1mm4 s ASN 80 N -4.31 6.98 0.35 5.87 0.02 -1.26 -4.98 114.94 117.61 1mm4 s ASN 80 Ca -0.02 1.49 -0.27 0.00 -1.02 0.00 0.00 52.86 53.05 1mm4 s ASN 80 Cb 0.00 -2.54 -0.12 0.00 0.02 0.00 0.00 41.25 38.61 1mm4 s ASN 80 CO 0.02 -0.76 1.17 0.29 0.02 0.00 0.00 177.10 177.84 1mm4 n LYS 81 N 6.58 1.78 -1.42 -0.60 5.02 -1.26 -2.14 118.16 126.12 1mm4 n LYS 81 Ca 0.13 0.63 -0.35 0.00 -2.02 0.00 0.00 58.31 56.70 1mm4 n LYS 81 Cb 0.46 -2.17 0.10 0.00 -0.02 0.00 0.00 35.03 33.40 1mm4 n LYS 81 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 1mm4 n TRP 82 N 0.10 1.62 -3.70 2.13 2.14 -1.26 -4.71 117.44 113.76 1mm4 n TRP 82 Ca 0.07 0.41 -0.13 0.00 2.07 0.00 0.00 57.50 59.92 1mm4 n TRP 82 Cb 0.36 -2.19 -0.13 0.00 -0.81 0.00 0.00 31.31 28.54 1mm4 n TRP 82 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1mm4 s GLU 83 N -3.74 0.16 0.80 -2.67 0.41 -0.90 -4.98 118.70 107.77 1mm4 s GLU 83 Ca 0.78 0.61 -0.12 0.00 -0.41 0.00 0.00 54.97 55.84 1mm4 s GLU 83 Cb -0.34 -0.10 0.07 0.00 -1.78 0.00 0.00 34.13 31.98 1mm4 s GLU 83 CO 0.45 -0.23 1.16 -1.25 -0.49 0.00 0.00 175.26 174.91 1mm4 s PRO 84 N 1.83 2.04 -0.24 0.39 0.04 -1.26 -2.61 135.00 135.18 1mm4 s PRO 84 Ca -0.04 0.11 -0.10 0.00 0.04 0.00 0.00 61.00 61.01 1mm4 s PRO 84 Cb -0.11 -1.97 0.10 0.00 0.04 0.00 0.00 34.50 32.55 1mm4 s PRO 84 CO -0.08 -1.54 0.54 -1.50 0.04 0.00 0.00 177.00 174.46 1mm4 s ILE 85 N -3.54 -0.55 0.04 0.56 2.07 -0.16 -4.72 121.20 114.89 1mm4 s ILE 85 Ca 0.62 0.07 0.08 0.00 -1.41 0.00 0.00 60.65 60.01 1mm4 s ILE 85 Cb -0.11 -0.82 -0.03 0.00 0.13 0.00 0.00 42.46 41.63 1mm4 s ILE 85 CO 0.49 0.03 -0.22 0.00 -1.91 0.00 0.00 174.94 173.33 1mm4 s ALA 86 N 2.35 1.85 0.12 1.50 0.00 -1.07 -2.36 121.76 124.16 1mm4 s ALA 86 Ca -0.06 -1.09 -0.24 0.00 0.00 0.00 0.00 51.96 50.57 1mm4 s ALA 86 Cb -0.10 -0.38 0.08 0.00 0.00 0.00 0.00 23.12 22.72 1mm4 s ALA 86 CO -0.16 0.42 1.10 0.20 0.00 0.00 0.00 175.76 177.32 1mm4 s GLY 87 N -1.13 -0.02 0.15 0.00 0.00 -0.85 -0.43 107.32 105.04 1mm4 s GLY 87 Ca 0.08 -0.12 0.11 0.00 0.00 0.00 0.00 44.72 44.79 1mm4 s GLY 87 CO 0.02 2.55 -0.24 -0.19 0.00 0.00 0.00 173.10 175.23 1mm4 s TYR 88 N -2.29 2.35 0.09 1.90 1.51 -0.19 -2.60 117.35 118.12 1mm4 s TYR 88 Ca 0.21 -0.35 -0.18 0.00 -1.01 0.00 0.00 57.07 55.75 1mm4 s TYR 88 Cb -0.01 -1.23 0.04 0.00 -0.11 0.00 0.00 41.96 40.65 1mm4 s TYR 88 CO 0.03 0.40 0.43 0.20 -1.11 0.00 0.00 175.55 175.50 1mm4 s GLY 89 N -2.29 -0.30 0.07 0.71 0.00 -1.02 -1.49 107.32 102.99 1mm4 s GLY 89 Ca 0.17 0.17 0.07 0.00 0.00 0.00 0.00 44.72 45.12 1mm4 s GLY 89 CO 0.08 -0.10 -0.14 -0.98 0.00 0.00 0.00 173.10 171.96 1mm4 s TRP 90 N -3.20 2.65 0.02 1.90 0.51 -0.58 -1.38 118.94 118.87 1mm4 s TRP 90 Ca -0.01 -0.20 -0.10 0.00 -2.12 0.00 0.00 56.10 53.67 1mm4 s TRP 90 Cb 0.01 -1.45 0.01 0.00 -0.81 0.00 0.00 33.47 31.22 1mm4 s TRP 90 CO -0.08 0.34 0.21 -1.21 -0.51 0.00 0.00 176.95 175.71 1mm4 s GLU 91 N -1.78 0.65 -0.18 4.98 2.02 -0.92 -1.57 118.70 121.91 1mm4 s GLU 91 Ca 0.17 -0.50 -0.01 0.00 0.02 0.00 0.00 54.97 54.66 1mm4 s GLU 91 Cb -0.11 0.27 0.05 0.00 0.10 0.00 0.00 34.13 34.44 1mm4 s GLU 91 CO 0.09 -0.18 -0.04 -1.54 0.02 0.00 0.00 175.26 173.60 1mm4 s SER 92 N -1.81 2.96 0.28 -0.19 1.04 -0.37 -2.28 113.70 113.33 1mm4 s SER 92 Ca -0.09 -0.74 -0.25 0.00 0.48 0.00 0.00 55.95 55.36 1mm4 s SER 92 Cb -0.03 -0.91 -0.09 0.00 0.10 0.00 0.00 66.02 65.08 1mm4 s SER 92 CO -0.01 -0.20 0.88 0.42 0.98 0.00 0.00 173.24 175.31 1mm4 s THR 93 N 1.63 4.29 0.09 2.02 -4.23 -1.26 -2.58 115.64 115.59 1mm4 s THR 93 Ca -0.00 1.71 0.04 0.00 -1.18 0.00 0.00 61.69 62.26 1mm4 s THR 93 Cb -0.16 -4.01 -0.03 0.00 1.34 0.00 0.00 72.50 69.64 1mm4 s THR 93 CO -0.07 0.21 -0.10 0.86 -0.54 0.00 0.00 174.62 174.97 1mm4 s TRP 94 N -1.53 1.06 0.02 3.99 -0.11 0.35 -4.95 118.94 117.77 1mm4 s TRP 94 Ca 0.47 -0.62 -0.07 0.00 1.22 0.00 0.00 56.10 57.10 1mm4 s TRP 94 Cb -0.19 -0.58 -0.05 0.00 -1.50 0.00 0.00 33.47 31.15 1mm4 s TRP 94 CO 0.24 0.00 0.28 1.03 -4.62 0.00 0.00 176.95 173.89 1mm4 s ARG 95 N -2.59 3.60 0.00 5.86 0.52 -1.26 -2.59 118.95 122.49 1mm4 s ARG 95 Ca 0.04 -0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 1mm4 s ARG 95 Cb -0.04 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.36 1mm4 s ARG 95 CO 0.00 0.64 0.00 -0.35 0.02 0.00 0.00 175.30 175.61 1mm4 n PRO 96 N 1.08 -0.38 0.00 3.54 -0.04 -1.26 -4.94 135.00 132.99 1mm4 n PRO 96 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1mm4 n PRO 96 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1mm4 n PRO 96 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1mm4 n LEU 97 N 0.00 1.58 -2.30 1.53 4.77 -1.26 -4.80 117.00 116.52 1mm4 n LEU 97 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 1mm4 n LEU 97 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1mm4 n LEU 97 CO 0.00 0.23 0.84 0.00 -1.33 0.00 0.00 177.39 177.14 1mm4 n ALA 98 N -2.57 5.72 -3.52 -1.18 0.00 -1.26 -4.98 120.51 112.73 1mm4 n ALA 98 Ca 0.00 -3.76 -0.10 0.00 0.00 0.00 0.00 53.44 49.58 1mm4 n ALA 98 Cb 0.43 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1mm4 n ALA 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1mm4 s ASP 99 N -2.60 -0.40 -0.04 0.00 1.11 -1.26 -5.07 116.67 108.41 1mm4 s ASP 99 Ca 0.56 0.16 0.02 0.00 0.18 0.00 0.00 52.55 53.47 1mm4 s ASP 99 Cb 0.45 0.39 -0.03 0.00 1.07 0.00 0.00 42.92 44.80 1mm4 s ASP 99 CO -0.06 -0.57 -0.01 1.21 1.18 0.00 0.00 175.17 176.92 1mm4 n GLU 100 N 0.09 1.96 -1.29 8.23 4.07 -1.26 -4.63 120.64 127.81 1mm4 n GLU 100 Ca -0.10 0.01 -0.28 0.00 -0.06 0.00 0.00 57.16 56.73 1mm4 n GLU 100 Cb 0.61 -1.08 0.12 0.00 -0.06 0.00 0.00 31.44 31.03 1mm4 n GLU 100 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1mm4 n ASN 101 N -2.35 5.62 -4.23 4.31 4.13 -1.26 -4.94 115.26 116.56 1mm4 n ASN 101 Ca -0.06 -3.72 -0.27 0.00 1.68 0.00 0.00 54.58 52.21 1mm4 n ASN 101 Cb 0.59 -0.86 -0.15 0.00 -1.54 0.00 0.00 39.78 37.82 1mm4 n ASN 101 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1mm4 s PHE 102 N -3.57 1.86 0.04 3.10 2.19 -1.26 -4.52 117.98 115.82 1mm4 s PHE 102 Ca 0.60 -0.35 0.08 0.00 0.33 0.00 0.00 56.93 57.58 1mm4 s PHE 102 Cb 0.49 -1.19 -0.03 0.00 -1.31 0.00 0.00 43.02 40.98 1mm4 s PHE 102 CO 0.04 -0.02 -0.22 -1.01 1.83 0.00 0.00 175.22 175.85 1mm4 s HIS 103 N -0.53 1.89 -0.20 10.12 3.76 -0.76 -4.22 115.29 125.36 1mm4 s HIS 103 Ca 0.08 -0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 54.50 1mm4 s HIS 103 Cb -0.08 -1.13 0.07 0.00 1.11 0.00 0.00 32.58 32.54 1mm4 s HIS 103 CO -0.00 0.09 0.49 -0.48 -0.85 0.00 0.00 174.74 173.99 1mm4 s LEU 104 N -1.16 -0.37 0.34 0.89 2.34 -1.07 -2.57 118.68 117.08 1mm4 s LEU 104 Ca 0.08 1.08 -0.17 0.00 0.06 0.00 0.00 54.13 55.18 1mm4 s LEU 104 Cb -0.09 1.65 0.06 0.00 -0.56 0.00 0.00 46.19 47.25 1mm4 s LEU 104 CO 0.02 -0.21 0.83 -0.83 -1.06 0.00 0.00 176.35 175.10 1mm4 s GLY 105 N 1.54 0.28 0.19 -3.48 0.00 -0.21 -0.49 107.32 105.15 1mm4 s GLY 105 Ca -0.09 -0.64 -0.03 0.00 0.00 0.00 0.00 44.72 43.96 1mm4 s GLY 105 CO -0.15 0.19 0.18 1.08 0.00 0.00 0.00 173.10 174.39 1mm4 s LEU 106 N -3.12 1.15 0.00 0.66 1.02 -1.07 -1.13 118.68 116.20 1mm4 s LEU 106 Ca 0.16 -1.24 0.00 0.00 0.02 0.00 0.00 54.13 53.08 1mm4 s LEU 106 Cb -0.05 0.64 0.00 0.00 0.02 0.00 0.00 46.19 46.80 1mm4 s LEU 106 CO 0.10 -0.86 0.00 0.61 0.02 0.00 0.00 176.35 176.22 1mm4 n GLY 107 N -0.24 -1.49 3.06 -3.19 0.00 -0.45 -1.23 105.19 101.65 1mm4 n GLY 107 Ca -0.01 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.67 1.18 -0.14 1.61 0.40 -0.61 -1.33 117.98 116.43 1mm4 s PHE 108 Ca 0.00 -0.28 -0.01 0.00 -0.60 0.00 0.00 56.93 56.04 1mm4 s PHE 108 Cb 0.00 -0.80 -0.02 0.00 0.51 0.00 0.00 43.02 42.72 1mm4 s PHE 108 CO 0.00 -0.08 -0.10 0.99 0.70 0.00 0.00 175.22 176.73 1mm4 s THR 109 N -0.04 3.31 -0.27 0.64 2.01 -1.07 -1.53 115.64 118.69 1mm4 s THR 109 Ca 0.00 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.41 1mm4 s THR 109 Cb -0.08 -2.41 0.03 0.00 0.01 0.00 0.00 72.50 70.05 1mm4 s THR 109 CO 0.00 0.52 -0.02 0.00 -0.69 0.00 0.00 174.62 174.43 1mm4 s ALA 110 N 0.34 2.79 -0.03 7.40 0.00 -0.56 -1.67 121.76 130.04 1mm4 s ALA 110 Ca -0.09 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 50.34 1mm4 s ALA 110 Cb -0.15 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 1mm4 s ALA 110 CO 0.05 -0.93 0.06 0.20 0.00 0.00 0.00 175.76 175.14 1mm4 s GLY 111 N 1.34 1.97 -0.14 0.00 0.00 0.44 -1.02 107.32 109.92 1mm4 s GLY 111 Ca -0.00 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.86 1mm4 s GLY 111 CO -0.02 -0.70 -0.16 0.14 0.00 0.00 0.00 173.10 172.35 1mm4 s VAL 112 N -1.11 2.69 -0.33 1.40 1.01 0.43 -0.42 120.40 124.06 1mm4 s VAL 112 Ca 0.20 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 1mm4 s VAL 112 Cb -0.12 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1mm4 s VAL 112 CO 0.11 0.52 0.18 -0.89 0.00 0.00 0.00 175.10 175.02 1mm4 s THR 113 N 0.60 4.70 -0.10 3.92 2.01 -1.07 -2.59 115.64 123.10 1mm4 s THR 113 Ca -0.09 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.39 1mm4 s THR 113 Cb -0.16 -3.47 0.02 0.00 0.01 0.00 0.00 72.50 68.90 1mm4 s THR 113 CO 0.03 -0.04 -0.09 0.00 -0.69 0.00 0.00 174.62 173.83 1mm4 s ALA 114 N 1.61 1.36 0.58 7.40 0.00 -1.26 -0.64 121.76 130.81 1mm4 s ALA 114 Ca 0.04 -0.55 -0.18 0.00 0.00 0.00 0.00 51.96 51.27 1mm4 s ALA 114 Cb -0.18 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1mm4 s ALA 114 CO 0.07 -0.27 1.12 1.03 0.00 0.00 0.00 175.76 177.71 1mm4 s ARG 115 N 1.41 3.19 -0.20 0.00 0.52 -1.26 -4.96 118.95 117.65 1mm4 s ARG 115 Ca -0.00 1.54 0.16 0.00 -0.52 0.00 0.00 55.73 56.91 1mm4 s ARG 115 Cb -0.13 -1.99 -0.24 0.00 0.52 0.00 0.00 34.95 33.10 1mm4 s ARG 115 CO -0.05 -0.97 0.06 -0.25 0.02 0.00 0.00 175.30 174.11 1mm4 n ASP 116 N -1.65 0.22 -1.97 0.23 9.92 -1.26 -4.42 116.55 117.62 1mm4 n ASP 116 Ca 0.11 -0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.13 1mm4 n ASP 116 Cb 0.51 0.83 0.10 0.00 -0.64 0.00 0.00 41.12 41.92 1mm4 n ASP 116 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1mm4 n ASN 117 N -2.81 5.32 -2.59 -2.24 5.15 -1.26 -4.99 115.26 111.84 1mm4 n ASN 117 Ca -0.34 -3.76 -0.11 0.00 -0.60 0.00 0.00 54.58 49.77 1mm4 n ASN 117 Cb 1.14 -0.69 -0.01 0.00 -0.53 0.00 0.00 39.78 39.69 1mm4 n ASN 117 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1mm4 n TRP 118 N -0.92 -1.49 -3.12 1.20 7.02 -1.26 -5.19 117.44 113.67 1mm4 n TRP 118 Ca 0.50 -1.82 0.00 0.00 -1.02 0.00 0.00 57.50 55.16 1mm4 n TRP 118 Cb 0.93 0.53 0.00 0.00 -2.42 0.00 0.00 31.31 30.35 1mm4 n TRP 118 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1mm4 n ASN 119 N -1.64 1.79 -0.68 -0.99 4.13 -1.26 -4.90 115.26 111.71 1mm4 n ASN 119 Ca -0.02 -0.23 0.06 0.00 1.68 0.00 0.00 54.58 56.07 1mm4 n ASN 119 Cb 0.48 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.69 1mm4 n ASN 119 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1mm4 n TYR 120 N -0.02 -1.83 -2.03 3.10 4.01 -1.26 -4.89 117.16 114.24 1mm4 n TYR 120 Ca 0.00 1.01 -0.33 0.00 -0.16 0.00 0.00 57.90 58.41 1mm4 n TYR 120 Cb 0.00 -1.70 0.02 0.00 -0.31 0.00 0.00 39.34 37.35 1mm4 n TYR 120 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1mm4 s ILE 121 N -3.88 3.49 0.52 -0.72 -5.25 -1.26 -4.90 121.20 109.19 1mm4 s ILE 121 Ca 0.00 0.76 -0.09 0.00 -0.99 0.00 0.00 60.65 60.33 1mm4 s ILE 121 Cb 0.00 -3.27 0.13 0.00 2.95 0.00 0.00 42.46 42.27 1mm4 s ILE 121 CO 0.00 -0.36 0.38 -0.81 -1.79 0.00 0.00 174.94 172.35 1mm4 n PRO 122 N -1.93 -2.45 -3.82 0.37 -0.04 -1.26 -4.99 135.00 120.88 1mm4 n PRO 122 Ca 0.10 -0.62 -0.30 0.00 -0.04 0.00 0.00 63.50 62.64 1mm4 n PRO 122 Cb 0.52 -0.67 -0.15 0.00 -0.04 0.00 0.00 33.50 33.16 1mm4 n PRO 122 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1mm4 s LEU 123 N 0.00 3.07 0.62 1.53 0.20 0.19 -4.91 118.68 119.37 1mm4 s LEU 123 Ca 0.26 -1.90 -0.16 0.00 0.69 0.00 0.00 54.13 53.02 1mm4 s LEU 123 Cb -0.04 -1.12 -0.02 0.00 -0.43 0.00 0.00 46.19 44.58 1mm4 s LEU 123 CO 0.21 -0.39 1.10 -2.16 -0.29 0.00 0.00 176.35 174.83 1mm4 s PRO 124 N 1.27 3.05 -0.20 0.98 0.04 -1.26 -2.61 135.00 136.26 1mm4 s PRO 124 Ca 0.11 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 62.45 1mm4 s PRO 124 Cb -0.19 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.44 1mm4 s PRO 124 CO -0.18 -1.06 0.49 0.14 0.04 0.00 0.00 177.00 176.44 1mm4 s VAL 125 N -2.21 -0.05 -0.14 -0.36 -7.23 0.44 -4.97 120.40 105.87 1mm4 s VAL 125 Ca 0.68 0.07 -0.01 0.00 -1.81 0.00 0.00 61.98 60.91 1mm4 s VAL 125 Cb -0.20 -0.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.99 1mm4 s VAL 125 CO 0.37 0.03 -0.10 -0.76 -0.31 0.00 0.00 175.10 174.32 1mm4 s LEU 126 N 1.53 2.85 -0.04 1.32 1.02 -1.26 -0.42 118.68 123.68 1mm4 s LEU 126 Ca -0.09 -0.29 -0.01 0.00 0.02 0.00 0.00 54.13 53.76 1mm4 s LEU 126 Cb -0.08 -1.66 0.03 0.00 0.02 0.00 0.00 46.19 44.50 1mm4 s LEU 126 CO -0.15 0.15 0.02 -0.76 0.02 0.00 0.00 176.35 175.64 1mm4 s LEU 127 N 0.43 0.75 0.74 1.79 1.43 -0.67 -5.00 118.68 118.15 1mm4 s LEU 127 Ca -0.08 -0.00 -0.15 0.00 -1.03 0.00 0.00 54.13 52.87 1mm4 s LEU 127 Cb -0.15 -0.23 0.04 0.00 0.03 0.00 0.00 46.19 45.88 1mm4 s LEU 127 CO 0.04 -0.16 1.24 -2.84 0.23 0.00 0.00 176.35 174.86 1mm4 s PRO 128 N 1.54 2.04 0.04 1.29 0.02 -1.26 -2.59 135.00 136.07 1mm4 s PRO 128 Ca -0.03 1.86 -0.27 0.00 0.02 0.00 0.00 61.00 62.58 1mm4 s PRO 128 Cb -0.13 -1.81 0.09 0.00 0.02 0.00 0.00 34.50 32.68 1mm4 s PRO 128 CO -0.03 -1.93 0.81 -0.48 -0.33 0.00 0.00 177.00 175.04 1mm4 s LEU 129 N -5.15 -0.42 0.22 -5.54 2.34 -0.44 -2.59 118.68 107.09 1mm4 s LEU 129 Ca 0.77 0.01 0.05 0.00 0.06 0.00 0.00 54.13 55.02 1mm4 s LEU 129 Cb -0.32 2.18 -0.05 0.00 -0.56 0.00 0.00 46.19 47.45 1mm4 s LEU 129 CO 0.46 -0.71 -0.07 0.00 -1.06 0.00 0.00 176.35 174.97 1mm4 s ALA 130 N -3.24 1.91 -0.14 1.48 0.00 0.35 -1.34 121.76 120.77 1mm4 s ALA 130 Ca 0.04 -1.72 -0.00 0.00 0.00 0.00 0.00 51.96 50.28 1mm4 s ALA 130 Cb -0.01 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.33 1mm4 s ALA 130 CO -0.10 -0.10 -0.08 -1.54 0.00 0.00 0.00 175.76 173.94 1mm4 s SER 131 N -3.31 2.59 -0.06 0.00 1.04 -0.28 -2.16 113.70 111.52 1mm4 s SER 131 Ca 0.25 -0.50 -0.02 0.00 0.48 0.00 0.00 55.95 56.15 1mm4 s SER 131 Cb 0.03 -0.96 0.04 0.00 0.10 0.00 0.00 66.02 65.23 1mm4 s SER 131 CO 0.07 -0.13 0.11 0.68 0.98 0.00 0.00 173.24 174.95 1mm4 s VAL 132 N 1.62 -0.14 -2.16 5.02 -7.23 -0.48 -1.05 120.40 115.98 1mm4 s VAL 132 Ca 0.03 0.31 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 1mm4 s VAL 132 Cb -0.14 -0.21 0.00 0.00 0.56 0.00 0.00 36.38 36.59 1mm4 s VAL 132 CO -0.09 0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 1mm4 n GLY 133 N 4.87 -1.15 3.13 2.32 0.00 -1.06 -0.71 105.19 112.58 1mm4 n GLY 133 Ca -0.13 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.25 -1.82 117.35 114.94 1mm4 s TYR 134 Ca 0.00 0.15 0.00 0.00 -1.41 0.00 0.00 57.07 55.81 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 -0.25 0.00 0.41 -2.51 0.00 0.00 175.55 173.20 1mm4 n GLY 135 N 1.87 1.67 0.21 5.49 0.00 -1.26 -2.21 105.19 110.96 1mm4 n GLY 135 Ca -0.20 -0.51 0.15 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.93 -3.41 132.00 123.14 1mm4 h PRO 136 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 1mm4 h PRO 136 Cb 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 1mm4 h PRO 136 CO 0.00 0.00 -0.01 0.08 -0.23 0.00 0.00 178.00 177.84 1mm4 s VAL 137 N -3.55 4.98 -0.06 1.56 1.01 -0.94 -3.25 120.40 120.14 1mm4 s VAL 137 Ca 0.02 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.27 1mm4 s VAL 137 Cb 0.09 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1mm4 s VAL 137 CO 0.44 -0.31 -0.05 -0.89 0.00 0.00 0.00 175.10 174.29 1mm4 s THR 138 N 2.48 0.64 -0.11 3.92 2.01 -1.07 -1.08 115.64 122.42 1mm4 s THR 138 Ca 0.19 -0.16 -0.17 0.00 0.31 0.00 0.00 61.69 61.86 1mm4 s THR 138 Cb -0.15 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 1mm4 s THR 138 CO 0.14 0.26 0.45 -0.36 -0.69 0.00 0.00 174.62 174.43 1mm4 s PHE 139 N 1.06 3.52 -0.25 4.92 0.08 0.11 -1.46 117.98 125.96 1mm4 s PHE 139 Ca -0.09 0.86 -0.03 0.00 0.12 0.00 0.00 56.93 57.80 1mm4 s PHE 139 Cb -0.14 -2.51 0.02 0.00 -0.57 0.00 0.00 43.02 39.82 1mm4 s PHE 139 CO -0.01 0.21 -0.04 -1.14 -0.10 0.00 0.00 175.22 174.15 1mm4 s GLN 140 N 0.49 2.96 -0.22 0.44 0.74 0.34 -1.38 119.66 123.03 1mm4 s GLN 140 Ca 0.25 -0.90 -0.09 0.00 0.05 0.00 0.00 55.36 54.66 1mm4 s GLN 140 Cb -0.15 -3.05 -0.05 0.00 1.10 0.00 0.00 33.01 30.87 1mm4 s GLN 140 CO 0.10 -0.37 0.13 -1.64 -0.55 0.00 0.00 175.29 172.95 1mm4 s MET 141 N 1.38 4.03 -0.03 1.67 -1.94 -0.92 -0.45 119.30 123.05 1mm4 s MET 141 Ca 0.02 -0.30 0.06 0.00 -1.71 0.00 0.00 55.69 53.76 1mm4 s MET 141 Cb -0.16 -3.43 -0.02 0.00 2.01 0.00 0.00 34.83 33.23 1mm4 s MET 141 CO -0.03 0.13 -0.20 0.95 -0.01 0.00 0.00 175.02 175.85 1mm4 s THR 142 N 0.83 2.53 0.24 2.05 -4.23 -0.73 -0.50 115.64 115.84 1mm4 s THR 142 Ca 0.06 -0.93 0.08 0.00 -1.18 0.00 0.00 61.69 59.72 1mm4 s THR 142 Cb -0.13 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 1mm4 s THR 142 CO 0.02 0.58 0.08 -0.47 -0.54 0.00 0.00 174.62 174.30 1mm4 s TYR 143 N -0.67 2.90 -0.30 3.99 5.04 -1.07 -2.59 117.35 124.65 1mm4 s TYR 143 Ca 0.11 -0.16 -0.02 0.00 -2.44 0.00 0.00 57.07 54.56 1mm4 s TYR 143 Cb -0.10 -1.32 0.10 0.00 0.35 0.00 0.00 41.96 40.99 1mm4 s TYR 143 CO -0.00 0.56 0.11 -1.50 -1.34 0.00 0.00 175.55 173.38 1mm4 s ILE 144 N -2.14 0.62 0.30 3.14 2.07 -1.26 -4.44 121.20 119.49 1mm4 s ILE 144 Ca 0.31 -1.23 -0.28 0.00 -1.41 0.00 0.00 60.65 58.05 1mm4 s ILE 144 Cb -0.08 -1.48 -0.13 0.00 0.13 0.00 0.00 42.46 40.90 1mm4 s ILE 144 CO 0.22 -0.69 1.14 -2.65 -1.91 0.00 0.00 174.94 171.04 1mm4 n PRO 145 N 4.96 1.66 -3.64 3.50 -0.02 -1.26 -4.92 135.00 135.28 1mm4 n PRO 145 Ca -0.03 0.58 -0.25 0.00 -2.02 0.00 0.00 63.50 61.78 1mm4 n PRO 145 Cb 0.42 -2.05 -0.17 0.00 -0.02 0.00 0.00 33.50 31.68 1mm4 n PRO 145 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1mm4 s GLY 146 N -0.41 0.39 -0.10 -1.23 0.00 -1.26 -5.13 107.32 99.58 1mm4 s GLY 146 Ca 0.58 -0.29 -0.15 0.00 0.00 0.00 0.00 44.72 44.86 1mm4 s GLY 146 CO 0.60 1.62 0.37 -1.59 0.00 0.00 0.00 173.10 174.10 1mm4 s THR 147 N 2.09 5.20 -1.70 0.90 2.01 -1.26 -4.12 115.64 118.77 1mm4 s THR 147 Ca 0.02 0.73 -0.01 0.00 0.31 0.00 0.00 61.69 62.74 1mm4 s THR 147 Cb -0.16 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.66 1mm4 s THR 147 CO -0.08 0.44 0.19 -1.22 -0.69 0.00 0.00 174.62 173.26 1mm4 n TYR 148 N 2.98 -1.29 -3.69 4.92 4.01 -1.26 -4.95 117.16 117.88 1mm4 n TYR 148 Ca -0.12 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1mm4 n TYR 148 Cb 0.52 -4.12 0.00 0.00 -0.31 0.00 0.00 39.34 35.44 1mm4 n TYR 148 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1mm4 n ASN 149 N -2.11 0.00 -3.51 7.72 5.15 -1.26 -5.19 115.26 116.06 1mm4 n ASN 149 Ca -0.20 -1.00 -0.08 0.00 -0.60 0.00 0.00 54.58 52.69 1mm4 n ASN 149 Cb 0.67 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.90 1mm4 n ASN 149 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1mm4 s ASN 150 N -1.00 -0.36 0.00 1.20 4.22 -1.26 -5.00 114.94 112.74 1mm4 s ASN 150 Ca 0.00 -0.01 0.00 0.00 -2.14 0.00 0.00 52.86 50.71 1mm4 s ASN 150 Cb 0.00 0.39 0.00 0.00 1.28 0.00 0.00 41.25 42.92 1mm4 s ASN 150 CO 0.00 -0.63 0.00 0.61 -2.04 0.00 0.00 177.10 175.04 1mm4 n GLY 151 N -0.25 1.96 3.63 0.45 0.00 -1.26 -5.06 105.19 104.66 1mm4 n GLY 151 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.00 6.10 -0.16 1.61 0.01 -1.26 -4.97 114.94 114.27 1mm4 s ASN 152 Ca 0.00 2.12 -0.05 0.00 -0.71 0.00 0.00 52.86 54.22 1mm4 s ASN 152 Cb 0.00 -2.52 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 1mm4 s ASN 152 CO 0.00 -1.41 -0.01 0.68 -1.51 0.00 0.00 177.10 174.85 1mm4 s VAL 153 N 5.93 4.12 0.28 1.60 -7.23 -1.26 -5.09 120.40 118.75 1mm4 s VAL 153 Ca 0.87 -0.28 -0.29 0.00 -1.81 0.00 0.00 61.98 60.47 1mm4 s VAL 153 Cb -0.34 -2.82 -0.10 0.00 0.56 0.00 0.00 36.38 33.68 1mm4 s VAL 153 CO 0.36 0.49 1.32 -0.31 -0.31 0.00 0.00 175.10 176.64 1mm4 s TYR 154 N 0.36 3.13 -0.25 2.82 1.51 -1.26 -4.81 117.35 118.84 1mm4 s TYR 154 Ca -0.02 1.31 -0.07 0.00 -1.01 0.00 0.00 57.07 57.27 1mm4 s TYR 154 Cb -0.14 -3.66 -0.03 0.00 -0.11 0.00 0.00 41.96 38.02 1mm4 s TYR 154 CO 0.02 -1.94 0.08 0.12 -1.11 0.00 0.00 175.55 172.72 1mm4 s PHE 155 N -0.60 3.09 -0.10 2.71 2.19 -1.07 -4.98 117.98 119.23 1mm4 s PHE 155 Ca 0.53 -0.44 -0.16 0.00 0.33 0.00 0.00 56.93 57.19 1mm4 s PHE 155 Cb -0.39 -2.25 -0.05 0.00 -1.31 0.00 0.00 43.02 39.03 1mm4 s PHE 155 CO 0.46 -0.37 0.40 0.00 1.83 0.00 0.00 175.22 177.54 1mm4 s ALA 156 N 1.61 3.58 0.03 11.12 0.00 -1.26 -1.78 121.76 135.06 1mm4 s ALA 156 Ca 0.06 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 51.79 1mm4 s ALA 156 Cb -0.15 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 1mm4 s ALA 156 CO 0.04 0.17 -0.15 -1.58 0.00 0.00 0.00 175.76 174.24 1mm4 s TRP 157 N 0.07 1.30 0.16 0.00 0.52 0.41 -4.73 118.94 116.67 1mm4 s TRP 157 Ca 0.22 -0.33 -0.09 0.00 0.02 0.00 0.00 56.10 55.92 1mm4 s TRP 157 Cb -0.15 -0.79 -0.06 0.00 -1.15 0.00 0.00 33.47 31.32 1mm4 s TRP 157 CO 0.09 0.03 0.47 -1.64 0.02 0.00 0.00 176.95 175.92 1mm4 s MET 158 N -0.94 3.78 -0.01 4.98 -1.94 -1.07 -0.51 119.30 123.59 1mm4 s MET 158 Ca 0.03 0.20 0.01 0.00 -1.71 0.00 0.00 55.69 54.22 1mm4 s MET 158 Cb -0.07 -2.83 0.01 0.00 2.01 0.00 0.00 34.83 33.94 1mm4 s MET 158 CO 0.01 0.44 -0.02 0.50 -0.01 0.00 0.00 175.02 175.95 1mm4 s ARG 159 N -2.40 0.26 0.08 2.03 3.52 -0.54 -2.49 118.95 119.42 1mm4 s ARG 159 Ca 0.40 -0.03 0.09 0.00 -0.13 0.00 0.00 55.73 56.07 1mm4 s ARG 159 Cb -0.13 -0.33 -0.03 0.00 -1.56 0.00 0.00 34.95 32.90 1mm4 s ARG 159 CO 0.21 -0.02 -0.22 0.12 -0.81 0.00 0.00 175.30 174.58 1mm4 s PHE 160 N 0.39 2.44 -0.10 5.12 5.36 0.42 -2.60 117.98 129.02 1mm4 s PHE 160 Ca -0.04 -0.32 -0.05 0.00 -0.96 0.00 0.00 56.93 55.56 1mm4 s PHE 160 Cb -0.06 -1.38 -0.04 0.00 -0.34 0.00 0.00 43.02 41.20 1mm4 s PHE 160 CO -0.01 0.27 0.10 -0.65 -1.46 0.00 0.00 175.22 173.47 1mm4 s GLN 161 N -1.66 3.29 -0.08 10.12 -0.21 -1.20 -2.10 119.66 127.82 1mm4 s GLN 161 Ca 0.14 -0.24 -0.02 0.00 0.02 0.00 0.00 55.36 55.27 1mm4 s GLN 161 Cb -0.10 -3.05 0.03 0.00 1.00 0.00 0.00 33.01 30.89 1mm4 s GLN 161 CO 0.06 0.75 0.03 -0.06 -2.12 0.00 0.00 175.29 173.94 1mm4 s PHE 162 N -1.00 0.49 0.04 0.91 0.08 -0.31 -4.96 117.98 113.22 1mm4 s PHE 162 Ca 0.15 -0.11 -0.01 0.00 0.12 0.00 0.00 56.93 57.09 1mm4 s PHE 162 Cb -0.12 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.57 1mm4 s PHE 162 CO 0.04 -0.32 0.19 -0.48 -0.10 0.00 0.00 175.22 174.55 1mm4 s LEU 163 N 2.03 4.30 -0.47 -0.37 2.34 -1.26 -2.56 118.68 122.69 1mm4 s LEU 163 Ca 0.04 0.27 -0.19 0.00 0.06 0.00 0.00 54.13 54.31 1mm4 s LEU 163 Cb -0.13 -2.80 0.04 0.00 -0.56 0.00 0.00 46.19 42.75 1mm4 s LEU 163 CO -0.05 0.20 0.58 -0.70 -1.06 0.00 0.00 176.35 175.32 1mm4 s GLU 164 N -2.30 3.15 0.38 1.48 2.12 -1.26 -5.03 118.70 117.23 1mm4 s GLU 164 Ca 0.32 -0.76 0.04 0.00 0.36 0.00 0.00 54.97 54.93 1mm4 s GLU 164 Cb -0.13 -4.04 -0.03 0.00 0.26 0.00 0.00 34.13 30.20 1mm4 s GLU 164 CO 0.24 -1.09 0.15 -3.38 -0.54 0.00 0.00 175.26 170.64 1mm4 s HIS 165 N 2.55 1.76 -0.04 5.30 -3.43 -1.26 -5.12 115.29 115.05 1mm4 s HIS 165 Ca 0.16 -1.32 -0.04 0.00 -0.80 0.00 0.00 55.06 53.06 1mm4 s HIS 165 Cb -0.18 -1.07 0.01 0.00 -1.43 0.00 0.00 32.58 29.91 1mm4 s HIS 165 CO 0.14 -0.38 0.11 -1.01 -2.00 0.00 0.00 174.74 171.60 1mm4 s HIS 166 N -3.30 -0.11 -0.55 0.38 3.76 -1.26 -5.12 115.29 109.09 1mm4 s HIS 166 Ca 0.28 0.27 -0.15 0.00 -0.15 0.00 0.00 55.06 55.31 1mm4 s HIS 166 Cb 0.03 0.04 0.13 0.00 1.11 0.00 0.00 32.58 33.89 1mm4 s HIS 166 CO 0.16 -0.06 0.50 -3.38 -0.85 0.00 0.00 174.74 171.11 1mm4 s HIS 167 N 0.02 3.28 -0.38 1.40 -3.43 -1.26 -5.04 115.29 109.89 1mm4 s HIS 167 Ca -0.00 -1.36 -0.26 0.00 -0.80 0.00 0.00 55.06 52.64 1mm4 s HIS 167 Cb -0.01 -3.78 0.02 0.00 -1.43 0.00 0.00 32.58 27.38 1mm4 s HIS 167 CO 0.00 -1.02 0.92 -1.58 -2.00 0.00 0.00 174.74 171.07 1mm4 s HIS 168 N 1.52 3.07 0.42 0.38 2.46 -1.26 -5.01 115.29 116.86 1mm4 s HIS 168 Ca 0.04 0.74 -0.27 0.00 0.47 0.00 0.00 55.06 56.04 1mm4 s HIS 168 Cb -0.29 -3.67 -0.10 0.00 -0.13 0.00 0.00 32.58 28.40 1mm4 s HIS 168 CO 0.02 -0.85 1.45 -1.01 -2.47 0.00 0.00 174.74 171.89 1mm4 s HIS 169 N 3.49 2.52 0.00 3.88 3.76 -1.26 -5.37 115.29 122.31 1mm4 s HIS 169 Ca 0.38 1.22 0.00 0.00 -0.15 0.00 0.00 55.06 56.51 1mm4 s HIS 169 Cb -0.12 -3.97 0.00 0.00 1.11 0.00 0.00 32.58 29.60 1mm4 s HIS 169 CO 0.19 -2.96 0.00 0.72 -0.85 0.00 0.00 174.74 171.84