#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 0.00 0.29 6.12 0.23 -1.26 -4.95 115.26 115.69 1mm4 n ASN 2 Ca 0.00 0.00 0.18 0.00 -0.53 0.00 0.00 54.58 54.23 1mm4 n ASN 2 Cb 0.00 0.00 0.92 0.00 -2.08 0.00 0.00 39.78 38.62 1mm4 n ASN 2 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mm4 h ALA 3 N 0.00 1.42 0.10 -2.53 0.00 -2.05 0.27 119.26 116.48 1mm4 h ALA 3 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mm4 h ALA 3 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1mm4 h ALA 3 CO 0.00 -0.26 -0.05 0.22 0.00 0.00 0.00 179.25 179.16 1mm4 h ASP 4 N 0.00 -0.12 0.47 0.00 3.58 -1.99 -2.18 116.42 116.18 1mm4 h ASP 4 Ca 0.04 -0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.19 1mm4 h ASP 4 Cb 0.47 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 1mm4 h ASP 4 CO -0.00 0.47 -0.19 -0.08 -2.88 0.00 0.00 179.24 176.56 1mm4 h GLU 5 N -0.99 0.00 0.01 0.28 4.81 -1.81 -2.55 114.58 114.32 1mm4 h GLU 5 Ca -0.01 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 1mm4 h GLU 5 Cb 0.36 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1mm4 h GLU 5 CO 0.02 0.19 -0.94 2.35 -0.73 0.00 0.00 179.01 179.91 1mm4 h TRP 6 N 0.00 0.47 -0.65 0.92 2.91 -0.57 -3.24 115.95 115.78 1mm4 h TRP 6 Ca -0.00 -0.26 -0.05 0.00 1.13 0.00 0.00 58.89 59.70 1mm4 h TRP 6 Cb 0.48 -0.05 -0.03 0.00 -0.51 0.00 0.00 29.16 29.05 1mm4 h TRP 6 CO 0.00 1.09 0.19 1.98 -1.03 0.00 0.00 178.44 180.67 1mm4 h MET 7 N 0.17 1.01 -0.71 2.65 4.05 -0.96 0.84 114.93 121.96 1mm4 h MET 7 Ca -0.07 -0.21 0.02 0.00 -0.28 0.00 0.00 59.70 59.17 1mm4 h MET 7 Cb 1.58 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 32.19 1mm4 h MET 7 CO 0.15 0.87 0.46 1.79 0.23 0.00 0.00 176.91 180.41 1mm4 h THR 8 N 0.97 1.13 0.02 -0.77 1.35 -1.56 0.58 112.91 114.63 1mm4 h THR 8 Ca 0.21 -0.31 -0.21 0.00 -0.55 0.00 0.00 66.41 65.55 1mm4 h THR 8 Cb 0.29 0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 66.83 1mm4 h THR 8 CO -0.01 0.17 -0.95 0.00 -0.25 0.00 0.00 175.52 174.48 1mm4 h THR 9 N 0.91 1.60 -0.01 6.82 1.03 -1.54 -3.24 112.91 118.48 1mm4 h THR 9 Ca 0.28 -3.01 -0.17 0.00 -0.01 0.00 0.00 66.41 63.51 1mm4 h THR 9 Cb -0.03 2.68 -0.02 0.00 -1.07 0.00 0.00 68.15 69.71 1mm4 h THR 9 CO -0.09 0.87 -0.77 -0.26 -0.01 0.00 0.00 175.52 175.26 1mm4 h PHE 10 N 0.04 0.10 -0.61 0.00 -1.00 -0.34 -3.12 116.94 112.01 1mm4 h PHE 10 Ca -0.04 -0.05 0.05 0.00 2.81 0.00 0.00 57.97 60.75 1mm4 h PHE 10 Cb 1.65 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 41.16 1mm4 h PHE 10 CO 0.02 0.81 0.41 -0.09 -1.61 0.00 0.00 178.31 177.84 1mm4 h ARG 11 N 0.04 0.61 0.02 1.51 2.43 0.12 0.15 114.38 119.27 1mm4 h ARG 11 Ca -0.02 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 58.90 1mm4 h ARG 11 Cb 1.35 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 1mm4 h ARG 11 CO 0.11 0.40 -1.00 1.49 -1.51 0.00 0.00 179.97 179.46 1mm4 h GLU 12 N 0.63 0.08 -0.04 0.20 4.81 -1.65 -2.66 114.58 115.94 1mm4 h GLU 12 Ca 0.26 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1mm4 h GLU 12 Cb 0.23 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1mm4 h GLU 12 CO -0.08 1.00 -0.13 -0.91 -0.73 0.00 0.00 179.01 178.17 1mm4 h ASN 13 N 0.03 0.18 -0.29 1.04 2.35 -1.20 -2.15 115.58 115.53 1mm4 h ASN 13 Ca -0.04 -0.63 -0.02 0.00 -0.55 0.00 0.00 56.30 55.07 1mm4 h ASN 13 Cb 1.72 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 40.03 1mm4 h ASN 13 CO 0.14 0.77 0.11 0.40 -1.65 0.00 0.00 177.43 177.21 1mm4 h ILE 14 N -0.41 1.18 -0.76 2.81 2.04 -0.86 -0.05 117.51 121.46 1mm4 h ILE 14 Ca -0.01 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1mm4 h ILE 14 Cb 0.76 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 1mm4 h ILE 14 CO 0.03 0.19 0.48 0.00 0.00 0.00 0.00 178.15 178.85 1mm4 h ALA 15 N 0.96 0.96 -0.15 1.87 0.00 -1.56 0.13 119.26 121.47 1mm4 h ALA 15 Ca 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1mm4 h ALA 15 Cb 0.19 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1mm4 h ALA 15 CO -0.01 0.41 -0.03 1.96 0.00 0.00 0.00 179.25 181.58 1mm4 h GLN 16 N 1.03 0.29 -0.12 0.00 1.08 -1.21 -1.61 115.11 114.57 1mm4 h GLN 16 Ca 0.28 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.32 1mm4 h GLN 16 Cb -0.08 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1mm4 h GLN 16 CO -0.06 0.55 -0.14 1.15 -0.95 0.00 0.00 178.83 179.38 1mm4 h THR 17 N -0.00 1.17 -0.12 -0.54 2.02 -0.79 -1.03 112.91 113.61 1mm4 h THR 17 Ca 0.04 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.40 1mm4 h THR 17 Cb 0.44 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1mm4 h THR 17 CO 0.01 0.23 -0.18 -0.50 0.37 0.00 0.00 175.52 175.46 1mm4 h TRP 18 N 0.18 0.42 0.00 3.16 4.06 -0.60 -3.37 115.95 119.80 1mm4 h TRP 18 Ca 0.04 -0.14 0.00 0.00 2.06 0.00 0.00 58.89 60.85 1mm4 h TRP 18 Cb 0.37 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 1mm4 h TRP 18 CO 0.00 0.78 0.00 0.94 -3.56 0.00 0.00 178.44 176.61 1mm4 n GLN 19 N -4.54 0.00 -2.89 0.49 -0.06 -0.62 -5.01 117.38 104.75 1mm4 n GLN 19 Ca -0.07 0.50 -0.10 0.00 -2.00 0.00 0.00 57.00 55.34 1mm4 n GLN 19 Cb 0.39 -1.28 0.01 0.00 -4.06 0.00 0.00 30.24 25.30 1mm4 n GLN 19 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1mm4 n GLN 20 N -2.00 -2.40 -1.54 3.69 7.27 -0.41 -4.69 117.38 117.30 1mm4 n GLN 20 Ca 0.00 2.11 -0.17 0.00 0.07 0.00 0.00 57.00 59.01 1mm4 n GLN 20 Cb 0.00 -5.42 -0.13 0.00 2.41 0.00 0.00 30.24 27.10 1mm4 n GLN 20 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1mm4 n PRO 21 N -0.24 0.35 -2.69 3.69 -0.02 -1.26 -4.63 135.00 130.19 1mm4 n PRO 21 Ca 0.10 -0.51 -0.02 0.00 -2.02 0.00 0.00 63.50 61.05 1mm4 n PRO 21 Cb 0.46 -2.66 0.03 0.00 -0.02 0.00 0.00 33.50 31.31 1mm4 n PRO 21 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1mm4 s GLU 22 N 8.20 0.19 0.02 -0.52 2.56 -1.26 -5.09 118.70 122.79 1mm4 s GLU 22 Ca 1.08 -0.15 -0.17 0.00 0.00 0.00 0.00 54.97 55.73 1mm4 s GLU 22 Cb -0.42 -0.00 0.03 0.00 2.00 0.00 0.00 34.13 35.75 1mm4 s GLU 22 CO 0.27 -0.24 0.38 -3.38 -0.56 0.00 0.00 175.26 171.73 1mm4 s HIS 23 N 1.27 -0.24 0.23 5.30 -3.43 -1.26 -4.84 115.29 112.32 1mm4 s HIS 23 Ca 0.21 0.26 -0.22 0.00 -0.80 0.00 0.00 55.06 54.50 1mm4 s HIS 23 Cb 0.10 0.17 -0.08 0.00 -1.43 0.00 0.00 32.58 31.34 1mm4 s HIS 23 CO -0.12 -0.50 0.78 0.71 -2.00 0.00 0.00 174.74 173.61 1mm4 s TYR 24 N -2.03 3.72 -0.11 0.38 1.51 -1.07 -4.54 117.35 115.20 1mm4 s TYR 24 Ca -0.08 1.53 0.02 0.00 -1.01 0.00 0.00 57.07 57.53 1mm4 s TYR 24 Cb -0.02 -2.72 0.01 0.00 -0.11 0.00 0.00 41.96 39.12 1mm4 s TYR 24 CO 0.01 0.36 -0.19 -0.51 -1.11 0.00 0.00 175.55 174.10 1mm4 s ASP 25 N -1.52 2.72 -0.08 2.29 -0.00 -0.49 -2.03 116.67 117.56 1mm4 s ASP 25 Ca 0.43 -0.50 0.05 0.00 -0.00 0.00 0.00 52.55 52.53 1mm4 s ASP 25 Cb -0.19 -1.24 -0.01 0.00 -0.00 0.00 0.00 42.92 41.49 1mm4 s ASP 25 CO 0.23 0.06 -0.24 -0.22 -0.00 0.00 0.00 175.17 175.00 1mm4 s LEU 26 N 0.79 2.11 -0.21 1.23 1.98 -1.00 -2.04 118.68 121.54 1mm4 s LEU 26 Ca -0.10 -0.52 0.01 0.00 -2.89 0.00 0.00 54.13 50.63 1mm4 s LEU 26 Cb -0.16 -1.40 0.05 0.00 0.66 0.00 0.00 46.19 45.34 1mm4 s LEU 26 CO 0.01 0.21 -0.09 -0.31 -1.89 0.00 0.00 176.35 174.27 1mm4 s TYR 27 N 0.06 2.44 -0.03 5.38 1.51 0.16 -1.82 117.35 125.06 1mm4 s TYR 27 Ca -0.10 -1.65 0.03 0.00 -1.01 0.00 0.00 57.07 54.34 1mm4 s TYR 27 Cb -0.16 -1.64 -0.00 0.00 -0.11 0.00 0.00 41.96 40.06 1mm4 s TYR 27 CO 0.06 -0.75 -0.12 0.42 -1.11 0.00 0.00 175.55 174.04 1mm4 s ILE 28 N 1.39 1.04 -0.59 2.71 1.01 -0.72 -2.48 121.20 123.55 1mm4 s ILE 28 Ca -0.02 -0.51 -0.27 0.00 0.00 0.00 0.00 60.65 59.85 1mm4 s ILE 28 Cb -0.17 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 1mm4 s ILE 28 CO -0.08 0.31 1.80 -2.16 0.00 0.00 0.00 174.94 174.82 1mm4 s PRO 29 N 0.09 2.75 0.34 2.79 0.04 -1.26 -1.30 135.00 138.45 1mm4 s PRO 29 Ca -0.03 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1mm4 s PRO 29 Cb -0.09 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.10 1mm4 s PRO 29 CO 0.01 -2.58 0.00 0.00 0.04 0.00 0.00 177.00 174.46 1mm4 n ALA 30 N 12.20 -3.74 -2.29 8.56 0.00 -1.24 -4.92 120.51 129.08 1mm4 n ALA 30 Ca 0.19 0.46 -0.13 0.00 0.00 0.00 0.00 53.44 53.96 1mm4 n ALA 30 Cb 0.51 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 1mm4 n ALA 30 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1mm4 s ILE 31 N -2.23 1.00 0.21 0.00 -5.25 -1.26 -4.75 121.20 108.92 1mm4 s ILE 31 Ca 0.00 -1.92 -0.11 0.00 -0.99 0.00 0.00 60.65 57.63 1mm4 s ILE 31 Cb 0.00 -1.68 -0.00 0.00 2.95 0.00 0.00 42.46 43.73 1mm4 s ILE 31 CO 0.00 -0.72 0.40 0.42 -1.79 0.00 0.00 174.94 173.24 1mm4 s THR 32 N -3.15 0.03 -0.40 8.37 -4.23 -1.26 -5.13 115.64 109.86 1mm4 s THR 32 Ca 0.12 -1.35 -0.07 0.00 -1.18 0.00 0.00 61.69 59.22 1mm4 s THR 32 Cb 0.02 -2.01 0.08 0.00 1.34 0.00 0.00 72.50 71.93 1mm4 s THR 32 CO -0.01 -0.12 0.22 0.86 -0.54 0.00 0.00 174.62 175.04 1mm4 s TRP 33 N -3.99 3.38 -0.18 3.99 -0.00 -1.26 -5.07 118.94 115.81 1mm4 s TRP 33 Ca 0.20 -1.74 -0.29 0.00 -0.00 0.00 0.00 56.10 54.27 1mm4 s TRP 33 Cb 0.01 -2.93 -0.00 0.00 -0.00 0.00 0.00 33.47 30.55 1mm4 s TRP 33 CO 0.04 -0.87 1.09 -1.58 -0.00 0.00 0.00 176.95 175.63 1mm4 s HIS 34 N 1.35 3.27 0.55 5.86 5.65 -1.26 -5.02 115.29 125.69 1mm4 s HIS 34 Ca 0.03 1.39 -0.18 0.00 0.25 0.00 0.00 55.06 56.55 1mm4 s HIS 34 Cb -0.23 -3.31 -0.06 0.00 -1.18 0.00 0.00 32.58 27.81 1mm4 s HIS 34 CO 0.01 -0.73 1.07 0.00 -0.65 0.00 0.00 174.74 174.44 1mm4 s ALA 35 N 2.95 2.76 0.00 1.58 0.00 -1.26 -5.02 121.76 122.77 1mm4 s ALA 35 Ca 0.48 0.56 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1mm4 s ALA 35 Cb -0.18 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1mm4 s ALA 35 CO 0.11 -0.65 0.37 0.54 0.00 0.00 0.00 175.76 176.14 1mm4 n ARG 36 N -1.52 0.00 -3.68 0.00 5.12 -1.26 -4.72 116.66 110.59 1mm4 n ARG 36 Ca 0.10 0.37 -0.29 0.00 -1.93 0.00 0.00 57.85 56.10 1mm4 n ARG 36 Cb 0.52 -1.08 -0.12 0.00 -1.16 0.00 0.00 32.46 30.62 1mm4 n ARG 36 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1mm4 s PHE 37 N -1.49 2.06 0.58 -1.55 5.36 -1.26 -5.12 117.98 116.57 1mm4 s PHE 37 Ca 0.00 -2.54 -0.20 0.00 -0.96 0.00 0.00 56.93 53.23 1mm4 s PHE 37 Cb 0.00 -1.84 -0.04 0.00 -0.34 0.00 0.00 43.02 40.81 1mm4 s PHE 37 CO 0.00 -0.75 1.28 0.00 -1.46 0.00 0.00 175.22 174.28 1mm4 s ALA 38 N 0.03 2.63 -0.31 11.12 0.00 -1.26 -5.00 121.76 128.97 1mm4 s ALA 38 Ca 0.21 1.17 -0.08 0.00 0.00 0.00 0.00 51.96 53.27 1mm4 s ALA 38 Cb -0.16 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.46 1mm4 s ALA 38 CO -0.06 -1.30 0.11 0.71 0.00 0.00 0.00 175.76 175.21 1mm4 s TYR 39 N -1.44 3.18 -0.51 0.00 2.02 -1.26 -5.06 117.35 114.28 1mm4 s TYR 39 Ca 0.76 -0.98 -0.26 0.00 -0.37 0.00 0.00 57.07 56.21 1mm4 s TYR 39 Cb -0.36 -2.29 0.03 0.00 -0.40 0.00 0.00 41.96 38.95 1mm4 s TYR 39 CO 0.40 -0.59 1.01 0.34 -1.57 0.00 0.00 175.55 175.14 1mm4 s ASP 40 N 1.51 6.45 -0.05 2.29 -1.08 -1.26 -4.78 116.67 119.75 1mm4 s ASP 40 Ca 0.02 0.01 0.12 0.00 -0.52 0.00 0.00 52.55 52.19 1mm4 s ASP 40 Cb -0.18 -2.48 0.23 0.00 -1.46 0.00 0.00 42.92 39.04 1mm4 s ASP 40 CO 0.03 -1.22 1.12 2.29 0.52 0.00 0.00 175.17 177.92 1mm4 n LYS 41 N 7.59 0.25 -4.38 4.34 2.85 -1.26 -5.13 118.16 122.42 1mm4 n LYS 41 Ca 0.06 -1.57 -0.21 0.00 -1.05 0.00 0.00 58.31 55.54 1mm4 n LYS 41 Cb 0.48 0.16 -0.09 0.00 -0.65 0.00 0.00 35.03 34.93 1mm4 n LYS 41 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1mm4 s GLU 42 N -0.26 1.72 -0.41 -1.58 0.41 -1.26 -5.05 118.70 112.27 1mm4 s GLU 42 Ca 0.15 -2.00 0.05 0.00 -0.41 0.00 0.00 54.97 52.76 1mm4 s GLU 42 Cb 0.21 -0.20 0.56 0.00 -1.78 0.00 0.00 34.13 32.92 1mm4 s GLU 42 CO -0.08 -0.48 1.71 1.63 -0.49 0.00 0.00 175.26 177.55 1mm4 n LYS 43 N -0.68 2.22 -4.03 1.61 4.76 -1.26 -4.98 118.16 115.79 1mm4 n LYS 43 Ca -0.00 -3.20 -0.31 0.00 -2.87 0.00 0.00 58.31 51.93 1mm4 n LYS 43 Cb 0.64 -2.06 -0.06 0.00 -1.84 0.00 0.00 35.03 31.72 1mm4 n LYS 43 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1mm4 s THR 44 N -3.56 4.78 -0.44 -0.18 -1.32 -1.26 -5.08 115.64 108.57 1mm4 s THR 44 Ca 0.53 -0.59 0.05 0.00 -1.21 0.00 0.00 61.69 60.47 1mm4 s THR 44 Cb 0.45 -3.28 0.18 0.00 -1.51 0.00 0.00 72.50 68.33 1mm4 s THR 44 CO 0.04 0.18 0.52 -0.62 -2.21 0.00 0.00 174.62 172.54 1mm4 s ASP 45 N -2.26 0.01 -0.09 8.08 2.15 -1.26 -4.97 116.67 118.34 1mm4 s ASP 45 Ca 0.29 -2.03 0.22 0.00 0.43 0.00 0.00 52.55 51.46 1mm4 s ASP 45 Cb -0.12 0.89 0.44 0.00 -0.30 0.00 0.00 42.92 43.83 1mm4 s ASP 45 CO 0.21 -0.14 1.17 0.54 -0.17 0.00 0.00 175.17 176.78 1mm4 n ARG 46 N 3.33 0.67 -2.42 4.34 5.12 -1.26 -5.07 116.66 121.36 1mm4 n ARG 46 Ca 0.20 -2.53 -0.43 0.00 -1.93 0.00 0.00 57.85 53.16 1mm4 n ARG 46 Cb 0.51 -0.60 -0.02 0.00 -1.16 0.00 0.00 32.46 31.19 1mm4 n ARG 46 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1mm4 s TYR 47 N -1.26 2.84 0.06 -1.55 2.02 -1.26 -5.02 117.35 113.18 1mm4 s TYR 47 Ca 0.34 1.00 0.02 0.00 -0.37 0.00 0.00 57.07 58.06 1mm4 s TYR 47 Cb 0.38 -3.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.38 1mm4 s TYR 47 CO -0.13 -1.70 0.10 0.54 -1.57 0.00 0.00 175.55 172.80 1mm4 s ASN 48 N 2.00 5.69 0.13 2.29 4.22 -1.26 -5.12 114.94 122.89 1mm4 s ASN 48 Ca 0.55 0.07 -0.00 0.00 -2.14 0.00 0.00 52.86 51.33 1mm4 s ASN 48 Cb -0.21 -1.59 -0.04 0.00 1.28 0.00 0.00 41.25 40.68 1mm4 s ASN 48 CO 0.15 0.19 0.29 -1.61 -2.04 0.00 0.00 177.10 174.08 1mm4 s GLU 49 N -2.29 3.48 -0.01 3.55 0.41 -1.26 -5.12 118.70 117.47 1mm4 s GLU 49 Ca 0.29 -0.41 0.02 0.00 -0.41 0.00 0.00 54.97 54.46 1mm4 s GLU 49 Cb -0.12 -2.95 -0.00 0.00 -1.78 0.00 0.00 34.13 29.27 1mm4 s GLU 49 CO 0.21 0.52 -0.07 0.50 -0.49 0.00 0.00 175.26 175.94 1mm4 s ARG 50 N -2.90 0.55 0.24 1.61 3.52 -1.26 -5.14 118.95 115.58 1mm4 s ARG 50 Ca 0.36 -0.24 -0.30 0.00 -0.13 0.00 0.00 55.73 55.43 1mm4 s ARG 50 Cb -0.12 -0.54 -0.09 0.00 -1.56 0.00 0.00 34.95 32.64 1mm4 s ARG 50 CO 0.28 0.14 1.27 -1.25 -0.81 0.00 0.00 175.30 174.94 1mm4 s PRO 51 N -0.15 4.42 -0.53 5.12 0.04 -1.26 -4.94 135.00 137.70 1mm4 s PRO 51 Ca 0.02 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1mm4 s PRO 51 Cb -0.03 -3.17 0.47 0.00 0.04 0.00 0.00 34.50 31.81 1mm4 s PRO 51 CO -0.00 -0.17 1.96 0.91 0.04 0.00 0.00 177.00 179.74 1mm4 n TRP 52 N 2.03 2.85 0.00 0.56 5.03 -1.26 -4.64 117.44 122.00 1mm4 n TRP 52 Ca 0.04 -2.45 0.00 0.00 3.03 0.00 0.00 57.50 58.12 1mm4 n TRP 52 Cb 0.43 -1.20 0.00 0.00 -1.03 0.00 0.00 31.31 29.51 1mm4 n TRP 52 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1mm4 n GLY 53 N -0.77 -0.34 7.00 6.99 0.00 -1.26 -4.87 105.19 111.94 1mm4 n GLY 53 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 2.72 -0.74 3.06 -0.02 0.00 -0.73 -4.81 105.19 104.67 1mm4 n GLY 54 Ca 0.00 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 1mm4 n GLY 54 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mm4 s GLY 55 N -1.02 0.52 -0.07 -0.02 0.00 -1.04 -0.43 107.32 105.27 1mm4 s GLY 55 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 44.72 43.87 1mm4 s GLY 55 CO 0.00 -0.73 0.36 -0.11 0.00 0.00 0.00 173.10 172.62 1mm4 s PHE 56 N -1.10 -0.30 0.00 1.90 -0.71 -1.06 -0.66 117.98 116.04 1mm4 s PHE 56 Ca -0.06 0.61 0.00 0.00 -1.04 0.00 0.00 56.93 56.44 1mm4 s PHE 56 Cb -0.08 0.13 0.00 0.00 -1.21 0.00 0.00 43.02 41.86 1mm4 s PHE 56 CO 0.01 -0.33 0.00 0.41 -1.34 0.00 0.00 175.22 173.96 1mm4 n GLY 57 N 1.87 1.36 3.26 1.99 0.00 -0.87 -1.51 105.19 111.29 1mm4 n GLY 57 Ca -0.18 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 1mm4 n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mm4 s LEU 58 N 0.00 1.53 -0.00 0.99 1.02 -0.36 -1.39 118.68 120.46 1mm4 s LEU 58 Ca 0.00 -1.35 0.05 0.00 0.02 0.00 0.00 54.13 52.85 1mm4 s LEU 58 Cb 0.00 0.15 -0.01 0.00 0.02 0.00 0.00 46.19 46.35 1mm4 s LEU 58 CO 0.00 -0.75 -0.16 -0.55 0.02 0.00 0.00 176.35 174.91 1mm4 s SER 59 N -3.23 1.90 0.05 2.29 0.15 -1.26 -2.09 113.70 111.51 1mm4 s SER 59 Ca 0.36 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.73 1mm4 s SER 59 Cb 0.07 -0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.15 1mm4 s SER 59 CO 0.11 0.18 -0.02 -0.60 1.20 0.00 0.00 173.24 174.11 1mm4 s ARG 60 N -0.51 2.56 0.02 5.44 3.52 -0.93 -4.74 118.95 124.32 1mm4 s ARG 60 Ca 0.06 -0.78 0.05 0.00 -0.13 0.00 0.00 55.73 54.93 1mm4 s ARG 60 Cb -0.06 -2.54 -0.03 0.00 -1.56 0.00 0.00 34.95 30.75 1mm4 s ARG 60 CO -0.00 0.57 -0.12 -1.58 -0.81 0.00 0.00 175.30 173.36 1mm4 s TRP 61 N -1.19 2.73 -0.08 5.12 0.52 -1.26 -0.90 118.94 123.88 1mm4 s TRP 61 Ca 0.22 -0.15 0.03 0.00 0.02 0.00 0.00 56.10 56.23 1mm4 s TRP 61 Cb -0.11 -1.54 0.01 0.00 -1.15 0.00 0.00 33.47 30.67 1mm4 s TRP 61 CO 0.14 0.31 -0.17 -0.51 0.02 0.00 0.00 176.95 176.74 1mm4 s ASP 62 N -1.43 2.34 0.66 2.95 -0.00 0.44 -4.97 116.67 116.66 1mm4 s ASP 62 Ca 0.16 -0.41 0.36 0.00 -0.00 0.00 0.00 52.55 52.66 1mm4 s ASP 62 Cb -0.11 -1.02 1.96 0.00 -0.00 0.00 0.00 42.92 43.75 1mm4 s ASP 62 CO 0.07 0.10 2.12 -0.33 -0.00 0.00 0.00 175.17 177.12 1mm4 h GLU 63 N 6.77 0.00 -0.91 8.23 5.08 -2.00 0.09 114.58 131.84 1mm4 h GLU 63 Ca -0.27 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.92 1mm4 h GLU 63 Cb 1.21 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.35 1mm4 h GLU 63 CO 0.47 0.00 0.22 1.17 -1.00 0.00 0.00 179.01 179.87 1mm4 n LYS 64 N -3.05 2.24 -2.92 2.33 4.81 -1.26 -4.87 118.16 115.45 1mm4 n LYS 64 Ca -0.02 -1.66 -0.12 0.00 -0.87 0.00 0.00 58.31 55.65 1mm4 n LYS 64 Cb 0.25 -1.75 0.06 0.00 0.02 0.00 0.00 35.03 33.62 1mm4 n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mm4 n GLY 65 N -0.10 -0.33 2.82 3.14 0.00 -0.00 -5.03 105.19 105.68 1mm4 n GLY 65 Ca 0.26 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.68 2.58 -0.55 1.61 -0.87 -1.08 -4.96 114.94 107.98 1mm4 s ASN 66 Ca 0.14 -0.58 -0.11 0.00 -1.57 0.00 0.00 52.86 50.74 1mm4 s ASN 66 Cb -0.02 -0.71 0.14 0.00 -0.02 0.00 0.00 41.25 40.64 1mm4 s ASN 66 CO 0.53 -0.22 0.45 0.86 -2.57 0.00 0.00 177.10 176.15 1mm4 s TRP 67 N 1.77 3.43 0.44 2.20 -0.00 -1.06 -0.42 118.94 125.31 1mm4 s TRP 67 Ca 0.01 -1.84 -0.22 0.00 -0.00 0.00 0.00 56.10 54.05 1mm4 s TRP 67 Cb -0.15 -3.58 -0.09 0.00 -0.00 0.00 0.00 33.47 29.64 1mm4 s TRP 67 CO -0.07 -0.99 1.01 -1.01 -0.00 0.00 0.00 176.95 175.89 1mm4 s HIS 68 N 1.11 3.19 -0.07 5.86 3.76 -0.08 -1.41 115.29 127.66 1mm4 s HIS 68 Ca 0.08 1.61 -0.01 0.00 -0.15 0.00 0.00 55.06 56.59 1mm4 s HIS 68 Cb -0.24 -3.00 0.03 0.00 1.11 0.00 0.00 32.58 30.48 1mm4 s HIS 68 CO -0.01 -0.49 -0.01 0.20 -0.85 0.00 0.00 174.74 173.57 1mm4 s GLY 69 N -1.94 0.51 -0.08 -2.22 0.00 -0.91 -2.20 107.32 100.48 1mm4 s GLY 69 Ca 0.63 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 45.19 1mm4 s GLY 69 CO 0.19 0.98 -0.06 1.08 0.00 0.00 0.00 173.10 175.30 1mm4 s LEU 70 N 1.76 1.13 -0.18 0.66 1.02 -0.89 -2.11 118.68 120.07 1mm4 s LEU 70 Ca 0.02 -0.21 -0.12 0.00 0.02 0.00 0.00 54.13 53.84 1mm4 s LEU 70 Cb -0.13 -0.65 0.06 0.00 0.02 0.00 0.00 46.19 45.49 1mm4 s LEU 70 CO -0.05 -0.10 0.46 -0.72 0.02 0.00 0.00 176.35 175.96 1mm4 s TYR 71 N 1.45 -0.63 -0.28 0.29 1.13 -0.55 -1.23 117.35 117.53 1mm4 s TYR 71 Ca -0.01 1.38 -0.23 0.00 -1.41 0.00 0.00 57.07 56.80 1mm4 s TYR 71 Cb -0.13 0.29 -0.00 0.00 -1.10 0.00 0.00 41.96 41.01 1mm4 s TYR 71 CO -0.04 -0.34 0.76 0.00 -2.51 0.00 0.00 175.55 173.42 1mm4 s ALA 72 N 1.09 3.57 0.10 9.51 0.00 -0.57 -1.32 121.76 134.15 1mm4 s ALA 72 Ca -0.07 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 51.37 1mm4 s ALA 72 Cb -0.06 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 1mm4 s ALA 72 CO -0.10 -1.06 0.52 1.41 0.00 0.00 0.00 175.76 176.53 1mm4 s MET 73 N 2.83 3.99 -0.05 0.00 1.75 0.42 -2.57 119.30 125.67 1mm4 s MET 73 Ca 0.31 0.49 -0.04 0.00 -1.25 0.00 0.00 55.69 55.21 1mm4 s MET 73 Cb -0.15 -3.04 0.01 0.00 2.84 0.00 0.00 34.83 34.50 1mm4 s MET 73 CO 0.10 0.55 0.12 0.00 -0.65 0.00 0.00 175.02 175.14 1mm4 s ALA 74 N -1.34 -0.28 -0.38 4.11 0.00 0.42 -1.01 121.76 123.28 1mm4 s ALA 74 Ca 0.34 0.36 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 1mm4 s ALA 74 Cb -0.16 -0.21 0.04 0.00 0.00 0.00 0.00 23.12 22.79 1mm4 s ALA 74 CO 0.18 -0.06 0.20 0.12 0.00 0.00 0.00 175.76 176.19 1mm4 s PHE 75 N 0.17 3.27 0.10 0.00 5.36 -1.07 -1.77 117.98 124.04 1mm4 s PHE 75 Ca -0.01 -1.19 -0.27 0.00 -0.96 0.00 0.00 56.93 54.51 1mm4 s PHE 75 Cb -0.02 -2.52 -0.06 0.00 -0.34 0.00 0.00 43.02 40.08 1mm4 s PHE 75 CO -0.00 -0.71 0.83 0.15 -1.46 0.00 0.00 175.22 174.02 1mm4 s LYS 76 N 1.49 4.59 0.68 10.12 -0.14 -1.26 -1.73 119.74 133.49 1mm4 s LYS 76 Ca 0.01 1.21 0.00 0.00 -1.36 0.00 0.00 55.97 55.83 1mm4 s LYS 76 Cb -0.20 -3.34 0.13 0.00 -1.68 0.00 0.00 37.83 32.74 1mm4 s LYS 76 CO 0.05 0.34 0.94 -3.47 -0.76 0.00 0.00 175.35 172.44 1mm4 n ASP 77 N 2.48 1.29 0.09 2.83 4.64 -1.26 -4.52 116.55 122.10 1mm4 n ASP 77 Ca -0.02 -2.08 -0.06 0.00 -1.38 0.00 0.00 54.79 51.25 1mm4 n ASP 77 Cb 0.49 -0.60 -0.00 0.00 -1.04 0.00 0.00 41.12 39.97 1mm4 n ASP 77 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 1mm4 h SER 78 N -0.54 0.11 0.00 1.67 4.64 -1.97 -3.42 113.55 114.03 1mm4 h SER 78 Ca -0.31 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1mm4 h SER 78 Cb 1.15 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1mm4 h SER 78 CO 0.33 0.92 0.00 0.79 -0.87 0.00 0.00 176.83 178.00 1mm4 n TRP 79 N -3.59 0.00 -3.03 4.77 7.02 -1.26 -5.07 117.44 116.28 1mm4 n TRP 79 Ca -0.02 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.49 1mm4 n TRP 79 Cb 0.81 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.70 1mm4 n TRP 79 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1mm4 s ASN 80 N -4.22 -0.89 -0.41 -0.99 3.84 -1.26 -5.05 114.94 105.96 1mm4 s ASN 80 Ca 0.00 -0.25 0.09 0.00 0.21 0.00 0.00 52.86 52.91 1mm4 s ASN 80 Cb 0.00 1.28 0.38 0.00 -0.55 0.00 0.00 41.25 42.35 1mm4 s ASN 80 CO 0.00 -0.12 1.29 0.29 -2.79 0.00 0.00 177.10 175.77 1mm4 n LYS 81 N 4.44 1.16 -1.78 0.43 4.01 -1.26 -4.98 118.16 120.17 1mm4 n LYS 81 Ca 0.08 -1.90 -0.42 0.00 -0.51 0.00 0.00 58.31 55.56 1mm4 n LYS 81 Cb 0.59 -0.29 -0.03 0.00 -0.51 0.00 0.00 35.03 34.79 1mm4 n LYS 81 CO 0.00 0.00 0.00 1.67 -1.11 0.00 0.00 177.40 177.96 1mm4 s TRP 82 N 0.09 2.28 -0.24 2.13 1.48 -1.26 -4.29 118.94 119.14 1mm4 s TRP 82 Ca 0.22 0.11 -0.11 0.00 -1.06 0.00 0.00 56.10 55.26 1mm4 s TRP 82 Cb 0.38 -4.11 -0.05 0.00 -1.16 0.00 0.00 33.47 28.53 1mm4 s TRP 82 CO -0.08 -4.51 0.17 -2.00 -4.06 0.00 0.00 176.95 166.47 1mm4 s GLU 83 N 2.60 4.08 -0.03 3.25 2.12 -0.71 -4.92 118.70 125.09 1mm4 s GLU 83 Ca 0.78 -0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.57 1mm4 s GLU 83 Cb -0.44 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.37 1mm4 s GLU 83 CO 0.35 0.06 1.20 -1.25 -0.54 0.00 0.00 175.26 175.08 1mm4 s PRO 84 N 1.07 4.37 0.03 4.30 0.04 -1.26 -2.60 135.00 140.95 1mm4 s PRO 84 Ca 0.08 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.68 1mm4 s PRO 84 Cb -0.14 -3.52 0.02 0.00 0.04 0.00 0.00 34.50 30.91 1mm4 s PRO 84 CO 0.05 -0.41 0.30 0.42 0.04 0.00 0.00 177.00 177.40 1mm4 s ILE 85 N 1.97 0.08 0.05 0.56 1.01 -0.18 -4.76 121.20 119.94 1mm4 s ILE 85 Ca 0.57 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1mm4 s ILE 85 Cb -0.26 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1mm4 s ILE 85 CO 0.24 -0.36 -0.07 0.00 0.00 0.00 0.00 174.94 174.75 1mm4 s ALA 86 N -2.34 0.58 -0.12 9.38 0.00 -1.07 -0.44 121.76 127.75 1mm4 s ALA 86 Ca -0.06 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 50.93 1mm4 s ALA 86 Cb -0.02 0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.23 1mm4 s ALA 86 CO -0.02 -0.10 0.30 0.20 0.00 0.00 0.00 175.76 176.14 1mm4 s GLY 87 N -1.91 -0.22 -0.13 0.00 0.00 -0.43 -0.73 107.32 103.90 1mm4 s GLY 87 Ca -0.06 0.98 -0.24 0.00 0.00 0.00 0.00 44.72 45.40 1mm4 s GLY 87 CO -0.01 1.00 0.59 -2.52 0.00 0.00 0.00 173.10 172.16 1mm4 s TYR 88 N 0.62 -0.59 0.09 1.90 -0.85 -0.50 -1.49 117.35 116.53 1mm4 s TYR 88 Ca -0.04 1.25 -0.05 0.00 -0.52 0.00 0.00 57.07 57.71 1mm4 s TYR 88 Cb -0.05 0.27 0.02 0.00 0.38 0.00 0.00 41.96 42.58 1mm4 s TYR 88 CO -0.04 -0.44 0.27 0.41 -1.52 0.00 0.00 175.55 174.23 1mm4 n GLY 89 N 1.87 1.40 3.89 5.49 0.00 -0.90 -1.22 105.19 115.72 1mm4 n GLY 89 Ca -0.17 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 1mm4 n GLY 89 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mm4 s TRP 90 N -5.94 3.45 -0.02 1.61 0.52 -0.93 -2.14 118.94 115.49 1mm4 s TRP 90 Ca 0.06 0.22 0.00 0.00 0.02 0.00 0.00 56.10 56.40 1mm4 s TRP 90 Cb -0.01 -1.73 0.02 0.00 -1.15 0.00 0.00 33.47 30.60 1mm4 s TRP 90 CO 0.03 0.58 0.00 -2.00 0.02 0.00 0.00 176.95 175.58 1mm4 s GLU 91 N -2.48 0.20 -0.24 4.98 2.56 -0.50 -1.64 118.70 121.58 1mm4 s GLU 91 Ca 0.34 0.08 0.02 0.00 0.00 0.00 0.00 54.97 55.40 1mm4 s GLU 91 Cb -0.13 -0.37 0.05 0.00 2.00 0.00 0.00 34.13 35.68 1mm4 s GLU 91 CO 0.27 -0.11 -0.10 -1.12 -0.56 0.00 0.00 175.26 173.64 1mm4 s SER 92 N 0.86 4.01 0.01 -1.70 0.01 -0.74 -2.56 113.70 113.58 1mm4 s SER 92 Ca -0.08 -1.20 -0.10 0.00 1.31 0.00 0.00 55.95 55.87 1mm4 s SER 92 Cb -0.11 -1.37 -0.05 0.00 0.21 0.00 0.00 66.02 64.69 1mm4 s SER 92 CO -0.02 -0.19 0.34 -0.89 0.41 0.00 0.00 173.24 172.89 1mm4 s THR 93 N 1.25 5.18 -0.11 1.44 2.01 -1.26 -1.62 115.64 122.53 1mm4 s THR 93 Ca -0.06 0.48 0.02 0.00 0.31 0.00 0.00 61.69 62.45 1mm4 s THR 93 Cb -0.19 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.72 1mm4 s THR 93 CO -0.06 0.45 -0.18 0.26 -0.69 0.00 0.00 174.62 174.40 1mm4 s TRP 94 N -1.22 2.19 -0.31 4.92 0.23 -0.33 -4.92 118.94 119.50 1mm4 s TRP 94 Ca 0.26 -1.00 0.02 0.00 -2.03 0.00 0.00 56.10 53.35 1mm4 s TRP 94 Cb -0.14 -1.53 0.09 0.00 0.03 0.00 0.00 33.47 31.92 1mm4 s TRP 94 CO 0.14 -0.47 0.04 -0.98 0.96 0.00 0.00 176.95 176.64 1mm4 s ARG 95 N 0.78 1.29 0.16 4.98 1.70 -1.26 -2.16 118.95 124.44 1mm4 s ARG 95 Ca -0.10 -1.49 -0.17 0.00 -0.47 0.00 0.00 55.73 53.50 1mm4 s ARG 95 Cb -0.16 -2.73 0.07 0.00 -0.57 0.00 0.00 34.95 31.56 1mm4 s ARG 95 CO 0.01 -0.89 1.69 -1.35 -1.08 0.00 0.00 175.30 173.68 1mm4 h PRO 96 N 7.81 0.06 0.00 3.89 0.11 -1.93 -3.40 132.00 138.54 1mm4 h PRO 96 Ca -0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1mm4 h PRO 96 Cb 1.03 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1mm4 h PRO 96 CO 0.49 0.04 -0.52 1.28 -0.21 0.00 0.00 178.00 179.08 1mm4 n LEU 97 N -5.21 0.04 -2.57 2.35 4.32 -1.26 -5.13 117.00 109.54 1mm4 n LEU 97 Ca 0.01 0.02 -0.05 0.00 -0.02 0.00 0.00 56.01 55.98 1mm4 n LEU 97 Cb 0.19 -0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.95 1mm4 n LEU 97 CO 0.20 -0.26 -0.63 0.00 -1.22 0.00 0.00 177.39 175.49 1mm4 n ALA 98 N -2.83 -3.67 0.00 -1.18 0.00 -1.26 -5.04 120.51 106.53 1mm4 n ALA 98 Ca 0.00 2.05 -0.03 0.00 0.00 0.00 0.00 53.44 55.45 1mm4 n ALA 98 Cb 0.26 -4.00 -0.01 0.00 0.00 0.00 0.00 19.45 15.70 1mm4 n ALA 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1mm4 n ASP 99 N 1.47 1.06 0.00 0.00 8.00 -1.26 -4.96 116.55 120.86 1mm4 n ASP 99 Ca -0.34 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1mm4 n ASP 99 Cb 0.53 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1mm4 n ASP 99 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1mm4 n GLU 100 N -3.60 0.00 -1.44 -1.24 1.02 -1.26 -4.99 120.64 109.14 1mm4 n GLU 100 Ca -0.06 0.18 -0.01 0.00 -0.02 0.00 0.00 57.16 57.25 1mm4 n GLU 100 Cb 0.26 -0.60 0.02 0.00 -0.02 0.00 0.00 31.44 31.09 1mm4 n GLU 100 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1mm4 n ASN 101 N -1.60 -0.26 -4.59 1.62 6.94 -1.26 -5.13 115.26 110.98 1mm4 n ASN 101 Ca 0.00 -1.02 -0.36 0.00 -0.02 0.00 0.00 54.58 53.18 1mm4 n ASN 101 Cb 0.00 0.11 -0.10 0.00 -2.36 0.00 0.00 39.78 37.43 1mm4 n ASN 101 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1mm4 s PHE 102 N 0.02 3.23 0.05 -2.53 -0.12 -1.26 -4.20 117.98 113.17 1mm4 s PHE 102 Ca 0.01 0.01 0.04 0.00 -0.05 0.00 0.00 56.93 56.94 1mm4 s PHE 102 Cb 0.06 -2.20 -0.02 0.00 -0.63 0.00 0.00 43.02 40.23 1mm4 s PHE 102 CO -0.02 -0.02 -0.11 -1.01 -0.05 0.00 0.00 175.22 174.01 1mm4 s HIS 103 N 0.99 0.95 -0.05 3.49 3.76 -0.82 -4.64 115.29 118.97 1mm4 s HIS 103 Ca 0.05 -0.45 -0.02 0.00 -0.15 0.00 0.00 55.06 54.50 1mm4 s HIS 103 Cb -0.14 -0.55 0.04 0.00 1.11 0.00 0.00 32.58 33.04 1mm4 s HIS 103 CO 0.03 -0.01 0.10 -0.51 -0.85 0.00 0.00 174.74 173.50 1mm4 s LEU 104 N -1.52 0.38 0.00 0.89 1.02 -0.92 -1.55 118.68 116.97 1mm4 s LEU 104 Ca -0.05 0.18 0.00 0.00 0.02 0.00 0.00 54.13 54.28 1mm4 s LEU 104 Cb -0.09 0.08 0.00 0.00 0.02 0.00 0.00 46.19 46.19 1mm4 s LEU 104 CO 0.01 -0.21 0.00 0.61 0.02 0.00 0.00 176.35 176.79 1mm4 n GLY 105 N 4.88 3.30 3.41 -3.19 0.00 0.37 -1.18 105.19 112.79 1mm4 n GLY 105 Ca -0.13 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 1mm4 n GLY 105 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1mm4 s LEU 106 N 0.00 -0.39 0.00 0.99 2.34 -0.64 -1.20 118.68 119.78 1mm4 s LEU 106 Ca 0.00 -0.07 -0.00 0.00 0.06 0.00 0.00 54.13 54.11 1mm4 s LEU 106 Cb 0.00 2.46 0.00 0.00 -0.56 0.00 0.00 46.19 48.09 1mm4 s LEU 106 CO 0.00 -0.96 0.02 0.61 -1.06 0.00 0.00 176.35 174.97 1mm4 n GLY 107 N -0.35 1.83 2.80 -3.48 0.00 -0.87 -1.79 105.19 103.32 1mm4 n GLY 107 Ca -0.17 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.69 1mm4 n GLY 107 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mm4 s PHE 108 N -8.22 -0.09 -0.17 1.61 -0.12 -0.66 -1.78 117.98 108.55 1mm4 s PHE 108 Ca 0.01 0.43 -0.07 0.00 -0.05 0.00 0.00 56.93 57.25 1mm4 s PHE 108 Cb -0.00 -0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 1mm4 s PHE 108 CO 0.00 -0.21 0.07 0.95 -0.05 0.00 0.00 175.22 175.99 1mm4 s THR 109 N 1.89 4.90 -0.26 -4.49 -4.23 -0.89 -2.20 115.64 110.37 1mm4 s THR 109 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 1mm4 s THR 109 Cb -0.12 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.53 1mm4 s THR 109 CO -0.05 0.49 -0.00 0.00 -0.54 0.00 0.00 174.62 174.52 1mm4 s ALA 110 N 0.13 2.87 0.16 3.99 0.00 -0.36 -1.76 121.76 126.80 1mm4 s ALA 110 Ca 0.06 -1.37 -0.05 0.00 0.00 0.00 0.00 51.96 50.60 1mm4 s ALA 110 Cb -0.12 -1.87 -0.06 0.00 0.00 0.00 0.00 23.12 21.08 1mm4 s ALA 110 CO 0.00 -0.74 0.40 0.20 0.00 0.00 0.00 175.76 175.62 1mm4 s GLY 111 N 1.44 2.18 -0.03 0.00 0.00 0.07 -1.41 107.32 109.57 1mm4 s GLY 111 Ca 0.03 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.19 1mm4 s GLY 111 CO -0.01 -0.48 -0.00 -1.34 0.00 0.00 0.00 173.10 171.26 1mm4 s VAL 112 N -1.71 0.19 -0.19 1.40 -7.23 0.09 -0.42 120.40 112.53 1mm4 s VAL 112 Ca 0.41 0.05 -0.03 0.00 -1.81 0.00 0.00 61.98 60.61 1mm4 s VAL 112 Cb -0.12 -0.27 0.06 0.00 0.56 0.00 0.00 36.38 36.61 1mm4 s VAL 112 CO 0.25 0.14 0.04 0.28 -0.31 0.00 0.00 175.10 175.50 1mm4 s THR 113 N 0.89 0.46 -0.09 5.32 -1.32 -1.07 -2.59 115.64 117.23 1mm4 s THR 113 Ca -0.09 -0.51 -0.02 0.00 -1.21 0.00 0.00 61.69 59.87 1mm4 s THR 113 Cb -0.12 -0.98 -0.03 0.00 -1.51 0.00 0.00 72.50 69.86 1mm4 s THR 113 CO -0.01 -0.21 -0.02 0.00 -2.21 0.00 0.00 174.62 172.17 1mm4 s ALA 114 N 1.89 3.17 -0.26 11.08 0.00 -1.26 -1.84 121.76 134.54 1mm4 s ALA 114 Ca -0.01 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 1mm4 s ALA 114 Cb -0.17 -1.44 0.14 0.00 0.00 0.00 0.00 23.12 21.66 1mm4 s ALA 114 CO -0.08 0.52 0.44 1.03 0.00 0.00 0.00 175.76 177.67 1mm4 s ARG 115 N -0.65 0.41 0.00 0.00 0.52 -1.26 -4.97 118.95 113.00 1mm4 s ARG 115 Ca 0.10 0.70 0.00 0.00 -0.52 0.00 0.00 55.73 56.02 1mm4 s ARG 115 Cb -0.12 -0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.21 1mm4 s ARG 115 CO 0.02 -0.60 0.00 -0.25 0.02 0.00 0.00 175.30 174.49 1mm4 n ASP 116 N 5.38 0.00 -2.88 0.23 10.43 -1.26 -5.02 116.55 123.43 1mm4 n ASP 116 Ca -0.03 0.00 -0.20 0.00 2.57 0.00 0.00 54.79 57.13 1mm4 n ASP 116 Cb 0.50 0.00 0.05 0.00 1.84 0.00 0.00 41.12 43.51 1mm4 n ASP 116 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1mm4 n ASN 117 N -0.56 -5.68 0.00 -2.24 3.02 -1.26 -4.72 115.26 103.82 1mm4 n ASN 117 Ca 0.00 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 1mm4 n ASN 117 Cb 0.00 -4.41 0.00 0.00 -0.61 0.00 0.00 39.78 34.76 1mm4 n ASN 117 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1mm4 n TRP 118 N -4.50 -1.33 -2.66 3.10 -0.00 -1.26 -5.15 117.44 105.64 1mm4 n TRP 118 Ca -0.05 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 57.25 1mm4 n TRP 118 Cb 0.58 0.27 0.10 0.00 -0.00 0.00 0.00 31.31 32.26 1mm4 n TRP 118 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1mm4 n ASN 119 N -2.03 1.33 -2.24 5.87 5.03 -1.26 -5.05 115.26 116.91 1mm4 n ASN 119 Ca 0.00 -2.08 -0.05 0.00 0.87 0.00 0.00 54.58 53.31 1mm4 n ASN 119 Cb 0.00 -0.54 0.05 0.00 -1.02 0.00 0.00 39.78 38.27 1mm4 n ASN 119 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1mm4 n TYR 120 N -2.59 1.37 -3.97 3.10 4.02 -1.26 -4.96 117.16 112.87 1mm4 n TYR 120 Ca 0.15 -1.86 -0.30 0.00 -0.01 0.00 0.00 57.90 55.87 1mm4 n TYR 120 Cb 0.53 -0.25 -0.14 0.00 -0.02 0.00 0.00 39.34 39.46 1mm4 n TYR 120 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1mm4 s ILE 121 N -3.40 2.52 0.00 -0.72 1.09 -1.26 -5.11 121.20 114.33 1mm4 s ILE 121 Ca 0.35 -3.04 0.00 0.00 -1.10 0.00 0.00 60.65 56.87 1mm4 s ILE 121 Cb 0.36 -2.78 0.00 0.00 -1.06 0.00 0.00 42.46 38.98 1mm4 s ILE 121 CO -0.04 -0.74 0.00 -0.81 -0.10 0.00 0.00 174.94 173.25 1mm4 n PRO 122 N 3.44 -0.71 -3.86 2.79 -0.04 -1.26 -4.84 135.00 130.52 1mm4 n PRO 122 Ca 0.05 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.21 1mm4 n PRO 122 Cb 0.35 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.68 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 3.86 0.52 1.53 2.96 -0.77 -4.91 118.68 121.87 1mm4 s LEU 123 Ca 0.00 -3.04 -0.19 0.00 -0.22 0.00 0.00 54.13 50.67 1mm4 s LEU 123 Cb 0.00 -1.44 -0.07 0.00 0.50 0.00 0.00 46.19 45.18 1mm4 s LEU 123 CO 0.00 -0.22 1.07 -2.16 -1.32 0.00 0.00 176.35 173.73 1mm4 s PRO 124 N -0.29 3.58 -0.22 0.98 0.04 -1.26 -2.60 135.00 135.24 1mm4 s PRO 124 Ca 0.19 1.44 -0.09 0.00 0.04 0.00 0.00 61.00 62.58 1mm4 s PRO 124 Cb -0.21 -2.05 0.09 0.00 0.04 0.00 0.00 34.50 32.36 1mm4 s PRO 124 CO -0.03 -0.63 0.48 0.14 0.04 0.00 0.00 177.00 177.00 1mm4 s VAL 125 N -1.95 -0.50 -0.01 -0.36 -7.23 0.43 -4.96 120.40 105.82 1mm4 s VAL 125 Ca 0.69 0.11 -0.15 0.00 -1.81 0.00 0.00 61.98 60.82 1mm4 s VAL 125 Cb -0.19 -0.74 -0.06 0.00 0.56 0.00 0.00 36.38 35.96 1mm4 s VAL 125 CO 0.24 0.05 0.40 -0.76 -0.31 0.00 0.00 175.10 174.72 1mm4 s LEU 126 N 2.29 4.46 -0.24 1.32 1.02 -1.26 -0.75 118.68 125.53 1mm4 s LEU 126 Ca -0.05 0.93 -0.03 0.00 0.02 0.00 0.00 54.13 55.01 1mm4 s LEU 126 Cb -0.11 -2.57 0.12 0.00 0.02 0.00 0.00 46.19 43.66 1mm4 s LEU 126 CO -0.14 0.31 0.30 -0.22 0.02 0.00 0.00 176.35 176.62 1mm4 s LEU 127 N -0.98 -0.35 0.32 1.79 2.96 -0.72 -5.01 118.68 116.68 1mm4 s LEU 127 Ca 0.23 -0.15 -0.26 0.00 -0.22 0.00 0.00 54.13 53.73 1mm4 s LEU 127 Cb -0.16 0.70 -0.10 0.00 0.50 0.00 0.00 46.19 47.13 1mm4 s LEU 127 CO 0.13 -0.33 0.94 -2.16 -1.32 0.00 0.00 176.35 173.61 1mm4 s PRO 128 N 2.42 4.60 0.34 0.98 0.04 -1.26 -2.08 135.00 140.03 1mm4 s PRO 128 Ca 0.10 1.34 -0.05 0.00 0.04 0.00 0.00 61.00 62.43 1mm4 s PRO 128 Cb -0.15 -2.83 0.02 0.00 0.04 0.00 0.00 34.50 31.57 1mm4 s PRO 128 CO -0.17 0.30 0.52 1.47 0.04 0.00 0.00 177.00 179.15 1mm4 n LEU 129 N 0.63 0.00 -4.43 -3.56 -0.00 -0.74 -2.62 117.00 106.28 1mm4 n LEU 129 Ca 0.02 -2.59 -0.31 0.00 -0.00 0.00 0.00 56.01 53.13 1mm4 n LEU 129 Cb 0.50 2.64 -0.13 0.00 -0.00 0.00 0.00 43.42 46.43 1mm4 n LEU 129 CO 0.45 -0.65 -0.50 0.00 -0.00 0.00 0.00 177.39 176.68 1mm4 s ALA 130 N -2.52 2.53 -0.18 1.47 0.00 0.48 -2.05 121.76 121.49 1mm4 s ALA 130 Ca 0.24 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 1mm4 s ALA 130 Cb -0.02 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 1mm4 s ALA 130 CO 0.17 0.56 -0.04 0.45 0.00 0.00 0.00 175.76 176.90 1mm4 s SER 131 N -1.29 4.59 -0.13 0.00 0.15 -0.34 -2.41 113.70 114.28 1mm4 s SER 131 Ca 0.14 -0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.54 1mm4 s SER 131 Cb -0.10 -1.76 0.04 0.00 -1.71 0.00 0.00 66.02 62.49 1mm4 s SER 131 CO 0.04 0.11 0.02 -0.69 1.20 0.00 0.00 173.24 173.91 1mm4 s VAL 132 N 0.74 0.46 -0.39 4.45 1.01 -0.75 -0.47 120.40 125.45 1mm4 s VAL 132 Ca -0.02 -0.23 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 1mm4 s VAL 132 Cb -0.15 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1mm4 s VAL 132 CO 0.02 0.03 0.28 -0.83 0.00 0.00 0.00 175.10 174.59 1mm4 s GLY 133 N 1.91 1.99 -0.15 4.51 0.00 -0.60 -1.64 107.32 113.34 1mm4 s GLY 133 Ca 0.02 -1.66 -0.01 0.00 0.00 0.00 0.00 44.72 43.07 1mm4 s GLY 133 CO -0.07 0.88 -0.02 -0.19 0.00 0.00 0.00 173.10 173.70 1mm4 s TYR 134 N 1.67 1.35 0.00 1.90 2.02 -1.07 -1.94 117.35 121.29 1mm4 s TYR 134 Ca 0.05 -0.86 0.00 0.00 -0.37 0.00 0.00 57.07 55.89 1mm4 s TYR 134 Cb -0.19 -1.15 0.00 0.00 -0.40 0.00 0.00 41.96 40.22 1mm4 s TYR 134 CO 0.10 -0.56 0.00 0.41 -1.57 0.00 0.00 175.55 173.93 1mm4 n GLY 135 N 4.97 1.02 0.00 0.71 0.00 -1.26 -2.59 105.19 108.03 1mm4 n GLY 135 Ca -0.10 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 0.53 -4.33 1.61 -0.04 -1.26 -4.79 135.00 126.72 1mm4 n PRO 136 Ca 0.00 0.03 -0.26 0.00 -0.04 0.00 0.00 63.50 63.23 1mm4 n PRO 136 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 1mm4 n PRO 136 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1mm4 s VAL 137 N -2.33 2.96 0.04 0.52 1.01 -1.07 -4.41 120.40 117.11 1mm4 s VAL 137 Ca 0.29 -1.81 0.07 0.00 0.00 0.00 0.00 61.98 60.52 1mm4 s VAL 137 Cb 0.17 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1mm4 s VAL 137 CO 0.33 -0.15 -0.19 0.42 0.00 0.00 0.00 175.10 175.52 1mm4 s THR 138 N -1.79 1.51 0.06 3.92 -4.23 -0.80 -2.59 115.64 111.72 1mm4 s THR 138 Ca 0.25 -1.11 0.08 0.00 -1.18 0.00 0.00 61.69 59.73 1mm4 s THR 138 Cb -0.08 -1.31 -0.03 0.00 1.34 0.00 0.00 72.50 72.42 1mm4 s THR 138 CO 0.14 0.18 -0.22 0.12 -0.54 0.00 0.00 174.62 174.29 1mm4 s PHE 139 N -0.77 1.95 0.08 3.99 5.36 -0.65 -1.92 117.98 126.01 1mm4 s PHE 139 Ca 0.06 -0.39 0.04 0.00 -0.96 0.00 0.00 56.93 55.68 1mm4 s PHE 139 Cb -0.08 -1.14 -0.03 0.00 -0.34 0.00 0.00 43.02 41.43 1mm4 s PHE 139 CO 0.01 0.14 -0.11 -0.65 -1.46 0.00 0.00 175.22 173.15 1mm4 s GLN 140 N -1.37 0.78 -0.13 10.12 -0.21 -0.71 -1.80 119.66 126.33 1mm4 s GLN 140 Ca 0.09 -1.01 -0.01 0.00 0.02 0.00 0.00 55.36 54.45 1mm4 s GLN 140 Cb -0.09 -0.60 0.03 0.00 1.00 0.00 0.00 33.01 33.35 1mm4 s GLN 140 CO 0.03 0.11 -0.06 1.41 -2.12 0.00 0.00 175.29 174.66 1mm4 s MET 141 N -2.18 1.42 -0.32 2.91 1.75 -1.01 -1.76 119.30 120.11 1mm4 s MET 141 Ca -0.00 -0.30 -0.17 0.00 -1.25 0.00 0.00 55.69 53.96 1mm4 s MET 141 Cb -0.07 -1.67 -0.01 0.00 2.84 0.00 0.00 34.83 35.91 1mm4 s MET 141 CO 0.01 -0.32 0.48 0.99 -0.65 0.00 0.00 175.02 175.53 1mm4 s THR 142 N 1.71 5.06 -0.06 10.11 2.01 -0.26 -0.39 115.64 133.82 1mm4 s THR 142 Ca 0.04 0.47 -0.02 0.00 0.31 0.00 0.00 61.69 62.48 1mm4 s THR 142 Cb -0.13 -3.88 0.04 0.00 0.01 0.00 0.00 72.50 68.53 1mm4 s THR 142 CO -0.08 -0.08 0.11 -0.47 -0.69 0.00 0.00 174.62 173.41 1mm4 s TYR 143 N 2.30 -0.07 -0.49 4.92 5.04 -1.08 -2.60 117.35 125.38 1mm4 s TYR 143 Ca 0.18 0.42 -0.11 0.00 -2.44 0.00 0.00 57.07 55.12 1mm4 s TYR 143 Cb -0.16 -0.33 0.12 0.00 0.35 0.00 0.00 41.96 41.95 1mm4 s TYR 143 CO 0.12 -0.21 0.39 0.42 -1.34 0.00 0.00 175.55 174.93 1mm4 s ILE 144 N 2.04 4.50 0.19 3.14 1.01 -1.26 -4.58 121.20 126.25 1mm4 s ILE 144 Ca 0.02 -1.71 -0.30 0.00 0.00 0.00 0.00 60.65 58.66 1mm4 s ILE 144 Cb -0.12 -3.94 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 1mm4 s ILE 144 CO -0.04 -0.81 1.30 -2.16 0.00 0.00 0.00 174.94 173.23 1mm4 s PRO 145 N 1.43 4.39 0.20 2.79 0.04 -1.26 -4.94 135.00 137.65 1mm4 s PRO 145 Ca 0.05 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.06 1mm4 s PRO 145 Cb -0.27 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.04 1mm4 s PRO 145 CO 0.00 -0.25 0.27 0.20 0.04 0.00 0.00 177.00 177.26 1mm4 s GLY 146 N 0.35 0.90 -0.21 0.56 0.00 -1.26 -5.14 107.32 102.51 1mm4 s GLY 146 Ca 0.57 -1.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.04 1mm4 s GLY 146 CO 0.38 -1.03 -0.11 -1.08 0.00 0.00 0.00 173.10 171.26 1mm4 s THR 147 N -4.06 2.69 -1.62 0.90 -1.32 -1.26 -4.62 115.64 106.34 1mm4 s THR 147 Ca 0.28 -0.86 -0.03 0.00 -1.21 0.00 0.00 61.69 59.87 1mm4 s THR 147 Cb 0.04 -2.25 0.00 0.00 -1.51 0.00 0.00 72.50 68.78 1mm4 s THR 147 CO 0.07 0.38 0.38 0.00 -2.21 0.00 0.00 174.62 173.25 1mm4 n TYR 148 N 4.68 -1.59 -0.08 9.09 9.36 -1.26 -4.88 117.16 132.48 1mm4 n TYR 148 Ca -0.19 0.33 -0.13 0.00 3.32 0.00 0.00 57.90 61.23 1mm4 n TYR 148 Cb 0.49 -4.28 -0.07 0.00 -0.63 0.00 0.00 39.34 34.85 1mm4 n TYR 148 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1mm4 n ASN 149 N -2.27 2.26 -1.43 2.98 4.13 -1.26 -5.12 115.26 114.55 1mm4 n ASN 149 Ca -0.16 0.01 0.19 0.00 1.68 0.00 0.00 54.58 56.30 1mm4 n ASN 149 Cb 0.64 -0.33 -0.06 0.00 -1.54 0.00 0.00 39.78 38.50 1mm4 n ASN 149 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1mm4 n ASN 150 N -3.22 -8.56 0.00 6.41 3.02 -1.26 -4.94 115.26 106.71 1mm4 n ASN 150 Ca -0.30 0.78 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 1mm4 n ASN 150 Cb 0.78 -4.48 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 1mm4 n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mm4 n GLY 151 N -4.26 0.52 3.66 7.41 0.00 -1.26 -5.02 105.19 106.24 1mm4 n GLY 151 Ca -0.01 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.90 7.02 -0.14 1.61 -0.87 -1.26 -5.03 114.94 113.38 1mm4 s ASN 152 Ca 0.00 1.28 0.02 0.00 -1.57 0.00 0.00 52.86 52.58 1mm4 s ASN 152 Cb 0.00 -2.50 0.02 0.00 -0.02 0.00 0.00 41.25 38.74 1mm4 s ASN 152 CO 0.00 -0.58 -0.18 0.68 -2.57 0.00 0.00 177.10 174.45 1mm4 s VAL 153 N 2.89 1.78 -0.25 1.60 -7.23 -1.26 -5.09 120.40 112.84 1mm4 s VAL 153 Ca 0.41 -0.79 -0.29 0.00 -1.81 0.00 0.00 61.98 59.50 1mm4 s VAL 153 Cb -0.16 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 1mm4 s VAL 153 CO 0.08 0.50 1.45 -0.31 -0.31 0.00 0.00 175.10 176.51 1mm4 s TYR 154 N 1.09 2.41 -0.10 2.82 2.02 -1.26 -4.80 117.35 119.53 1mm4 s TYR 154 Ca -0.02 0.71 -0.04 0.00 -0.37 0.00 0.00 57.07 57.35 1mm4 s TYR 154 Cb -0.14 -3.91 -0.04 0.00 -0.40 0.00 0.00 41.96 37.47 1mm4 s TYR 154 CO -0.05 -2.33 0.06 0.12 -1.57 0.00 0.00 175.55 171.78 1mm4 s PHE 155 N 4.67 3.34 -0.08 2.71 5.36 -1.07 -4.97 117.98 127.94 1mm4 s PHE 155 Ca 0.63 0.33 -0.02 0.00 -0.96 0.00 0.00 56.93 56.92 1mm4 s PHE 155 Cb -0.21 -1.85 -0.03 0.00 -0.34 0.00 0.00 43.02 40.58 1mm4 s PHE 155 CO 0.25 0.58 0.01 0.00 -1.46 0.00 0.00 175.22 174.60 1mm4 s ALA 156 N -0.94 3.31 0.05 11.12 0.00 -1.26 -1.10 121.76 132.94 1mm4 s ALA 156 Ca 0.14 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.34 1mm4 s ALA 156 Cb -0.12 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 1mm4 s ALA 156 CO 0.03 0.59 -0.15 -1.58 0.00 0.00 0.00 175.76 174.66 1mm4 s TRP 157 N -0.90 1.26 -0.08 0.00 0.52 -0.72 -3.59 118.94 115.43 1mm4 s TRP 157 Ca 0.14 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.87 1mm4 s TRP 157 Cb -0.11 -0.73 -0.03 0.00 -1.15 0.00 0.00 33.47 31.45 1mm4 s TRP 157 CO 0.03 0.05 -0.08 1.41 0.02 0.00 0.00 176.95 178.38 1mm4 s MET 158 N -1.36 2.86 0.02 4.98 -2.45 -0.42 -1.75 119.30 121.17 1mm4 s MET 158 Ca 0.01 -0.57 0.03 0.00 -1.25 0.00 0.00 55.69 53.91 1mm4 s MET 158 Cb -0.09 -2.60 -0.01 0.00 1.25 0.00 0.00 34.83 33.37 1mm4 s MET 158 CO 0.02 0.59 -0.09 0.50 1.05 0.00 0.00 175.02 177.08 1mm4 s ARG 159 N -0.62 0.68 0.06 4.11 3.52 -0.81 -1.76 118.95 124.13 1mm4 s ARG 159 Ca 0.09 -0.52 0.06 0.00 -0.13 0.00 0.00 55.73 55.23 1mm4 s ARG 159 Cb -0.12 -0.62 -0.03 0.00 -1.56 0.00 0.00 34.95 32.63 1mm4 s ARG 159 CO 0.02 0.15 -0.17 0.12 -0.81 0.00 0.00 175.30 174.61 1mm4 s PHE 160 N -0.65 1.46 -0.07 5.12 5.36 -0.75 -1.90 117.98 126.55 1mm4 s PHE 160 Ca -0.01 -0.39 0.03 0.00 -0.96 0.00 0.00 56.93 55.61 1mm4 s PHE 160 Cb -0.06 -0.85 0.00 0.00 -0.34 0.00 0.00 43.02 41.78 1mm4 s PHE 160 CO 0.00 0.08 -0.18 -0.65 -1.46 0.00 0.00 175.22 173.02 1mm4 s GLN 161 N -1.37 2.24 -0.23 10.12 -1.52 -1.26 -2.37 119.66 125.28 1mm4 s GLN 161 Ca 0.03 -0.63 -0.04 0.00 -1.95 0.00 0.00 55.36 52.77 1mm4 s GLN 161 Cb -0.09 -1.79 -0.01 0.00 -0.22 0.00 0.00 33.01 30.91 1mm4 s GLN 161 CO 0.02 0.13 -0.02 0.12 -0.25 0.00 0.00 175.29 175.29 1mm4 s PHE 162 N 0.42 2.99 0.17 0.91 5.36 -0.86 -4.96 117.98 122.00 1mm4 s PHE 162 Ca -0.14 -0.94 0.03 0.00 -0.96 0.00 0.00 56.93 54.92 1mm4 s PHE 162 Cb -0.16 -2.13 -0.05 0.00 -0.34 0.00 0.00 43.02 40.35 1mm4 s PHE 162 CO 0.05 -0.55 -0.05 -0.51 -1.46 0.00 0.00 175.22 172.71 1mm4 s LEU 163 N 1.48 2.33 -0.14 6.12 1.43 -1.26 -2.60 118.68 126.04 1mm4 s LEU 163 Ca 0.05 -1.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.06 1mm4 s LEU 163 Cb -0.15 -0.21 0.00 0.00 0.03 0.00 0.00 46.19 45.86 1mm4 s LEU 163 CO -0.02 -0.46 -0.18 -1.61 0.23 0.00 0.00 176.35 174.30 1mm4 s GLU 164 N -3.83 3.14 -0.45 1.70 2.02 -1.26 -5.00 118.70 115.01 1mm4 s GLU 164 Ca 0.21 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.44 1mm4 s GLU 164 Cb 0.05 -2.52 0.64 0.00 0.10 0.00 0.00 34.13 32.40 1mm4 s GLU 164 CO 0.03 0.03 1.89 0.72 0.02 0.00 0.00 175.26 177.95 1mm4 n HIS 165 N 3.97 2.95 -2.40 1.61 8.25 -1.26 -4.99 115.22 123.35 1mm4 n HIS 165 Ca -0.19 -1.91 -0.01 0.00 -0.26 0.00 0.00 57.72 55.35 1mm4 n HIS 165 Cb 0.52 -0.95 -0.01 0.00 1.12 0.00 0.00 29.99 30.67 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 -1.13 -4.83 0.10 4.41 8.25 -1.26 -5.04 115.22 115.72 1mm4 n HIS 166 Ca 0.58 2.87 0.00 0.00 -0.26 0.00 0.00 57.72 60.91 1mm4 n HIS 166 Cb 1.57 -3.88 0.00 0.00 1.12 0.00 0.00 29.99 28.80 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 1.84 -3.21 -3.19 4.41 8.25 -1.26 -5.12 115.22 116.95 1mm4 n HIS 167 Ca -0.06 0.65 -0.39 0.00 -0.26 0.00 0.00 57.72 57.66 1mm4 n HIS 167 Cb 0.10 1.88 -0.06 0.00 1.12 0.00 0.00 29.99 33.03 1mm4 n HIS 167 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1mm4 s HIS 168 N -2.00 3.81 -0.17 4.41 3.76 -1.26 -4.97 115.29 118.87 1mm4 s HIS 168 Ca 0.00 1.36 0.19 0.00 -0.15 0.00 0.00 55.06 56.45 1mm4 s HIS 168 Cb 0.00 -2.59 0.40 0.00 1.11 0.00 0.00 32.58 31.50 1mm4 s HIS 168 CO 0.00 0.53 1.20 1.58 -0.85 0.00 0.00 174.74 177.20 1mm4 n HIS 169 N 1.86 0.08 1.95 1.40 -0.00 -1.26 -5.18 115.22 114.08 1mm4 n HIS 169 Ca -0.09 -1.40 0.16 0.00 0.46 0.00 0.00 57.72 56.85 1mm4 n HIS 169 Cb 0.50 0.25 0.91 0.00 -0.12 0.00 0.00 29.99 31.53 1mm4 n HIS 169 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52