#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 -2.32 0.25 3.17 3.02 -1.26 -4.87 115.26 113.25 1mm4 n ASN 2 Ca 0.00 0.59 0.18 0.00 -0.03 0.00 0.00 54.58 55.31 1mm4 n ASN 2 Cb 0.00 2.30 0.90 0.00 -0.61 0.00 0.00 39.78 42.37 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 0.00 1.58 0.11 5.41 0.00 -2.04 0.84 119.26 125.15 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 -0.22 -0.05 -0.44 0.00 0.00 0.00 179.25 178.53 1mm4 h ASP 4 N 0.00 -0.12 0.74 0.00 3.45 -1.99 -2.68 116.42 115.81 1mm4 h ASP 4 Ca 0.05 -0.25 -0.07 0.00 0.43 0.00 0.00 57.03 57.20 1mm4 h ASP 4 Cb 0.39 0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.18 1mm4 h ASP 4 CO -0.00 0.47 -0.31 -0.08 -1.57 0.00 0.00 179.24 177.74 1mm4 h GLU 5 N -1.00 0.00 -0.03 3.56 4.81 -1.80 -2.39 114.58 117.72 1mm4 h GLU 5 Ca -0.01 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 1mm4 h GLU 5 Cb 0.36 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1mm4 h GLU 5 CO 0.02 0.31 -0.66 2.35 -0.73 0.00 0.00 179.01 180.31 1mm4 h TRP 6 N 0.00 0.20 0.03 0.92 7.01 0.58 -2.26 115.95 122.42 1mm4 h TRP 6 Ca -0.00 -0.08 -0.06 0.00 2.11 0.00 0.00 58.89 60.86 1mm4 h TRP 6 Cb 0.76 -0.03 0.01 0.00 -2.10 0.00 0.00 29.16 27.80 1mm4 h TRP 6 CO 0.00 0.76 -0.24 0.52 -2.79 0.00 0.00 178.44 176.70 1mm4 h MET 7 N 0.11 0.12 -0.88 2.65 2.86 -1.23 -3.00 114.93 115.55 1mm4 h MET 7 Ca -0.01 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1mm4 h MET 7 Cb 1.18 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.84 1mm4 h MET 7 CO 0.10 0.99 0.58 0.00 1.06 0.00 0.00 176.91 179.64 1mm4 h THR 8 N -0.68 1.19 -0.50 2.22 1.03 -1.50 0.14 112.91 114.80 1mm4 h THR 8 Ca -0.04 -0.40 -0.01 0.00 -0.01 0.00 0.00 66.41 65.96 1mm4 h THR 8 Cb 1.10 -0.07 -0.02 0.00 -1.07 0.00 0.00 68.15 68.09 1mm4 h THR 8 CO 0.05 0.21 0.27 0.71 -0.01 0.00 0.00 175.52 176.74 1mm4 h THR 9 N 1.15 1.18 -0.36 0.00 1.35 -1.51 0.69 112.91 115.41 1mm4 h THR 9 Ca 0.34 -0.46 -0.13 0.00 -0.55 0.00 0.00 66.41 65.60 1mm4 h THR 9 Cb -0.07 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 66.91 1mm4 h THR 9 CO -0.09 0.19 -0.29 0.15 -0.25 0.00 0.00 175.52 175.23 1mm4 h PHE 10 N 0.66 0.99 -0.04 4.73 3.04 -1.30 -0.21 116.94 124.81 1mm4 h PHE 10 Ca 0.17 -0.28 -0.14 0.00 3.98 0.00 0.00 57.97 61.71 1mm4 h PHE 10 Cb 0.06 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 1mm4 h PHE 10 CO -0.02 1.06 -0.61 -0.09 -2.02 0.00 0.00 178.31 176.64 1mm4 h ARG 11 N 0.63 0.15 -0.01 1.11 9.65 -0.54 -2.82 114.38 122.56 1mm4 h ARG 11 Ca 0.07 -0.11 -0.25 0.00 -1.10 0.00 0.00 59.98 58.59 1mm4 h ARG 11 Cb 0.86 0.02 0.01 0.00 -1.39 0.00 0.00 29.97 29.47 1mm4 h ARG 11 CO 0.08 0.71 -0.98 0.93 2.80 0.00 0.00 179.97 183.51 1mm4 h GLU 12 N 0.11 0.59 0.66 0.20 5.08 0.49 -1.70 114.58 120.01 1mm4 h GLU 12 Ca -0.01 -0.62 -0.03 0.00 -1.00 0.00 0.00 59.36 57.70 1mm4 h GLU 12 Cb 1.10 0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.53 1mm4 h GLU 12 CO 0.09 1.23 -0.32 -0.97 -1.00 0.00 0.00 179.01 178.04 1mm4 h ASN 13 N 0.34 -0.75 -0.08 1.42 -1.24 -1.00 0.12 115.58 114.40 1mm4 h ASN 13 Ca -0.10 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.84 1mm4 h ASN 13 Cb 1.62 0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.85 1mm4 h ASN 13 CO 0.18 -0.48 -0.15 0.16 -1.29 0.00 0.00 177.43 175.86 1mm4 h ILE 14 N -0.96 1.23 0.00 2.57 -0.00 -1.62 -2.09 117.51 116.64 1mm4 h ILE 14 Ca -0.09 -1.01 -0.10 0.00 -0.00 0.00 0.00 64.86 63.66 1mm4 h ILE 14 Cb 0.70 1.20 -0.01 0.00 -0.00 0.00 0.00 36.82 38.71 1mm4 h ILE 14 CO 0.15 0.32 -0.48 0.00 -0.00 0.00 0.00 178.15 178.15 1mm4 h ALA 15 N 1.46 1.16 0.02 0.16 0.00 -1.18 -2.76 119.26 118.11 1mm4 h ALA 15 Ca 0.07 -0.43 -0.21 0.00 0.00 0.00 0.00 54.91 54.34 1mm4 h ALA 15 Cb 0.49 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1mm4 h ALA 15 CO 0.03 0.59 -0.99 1.96 0.00 0.00 0.00 179.25 180.84 1mm4 h GLN 16 N 0.00 0.05 -0.07 0.00 4.20 -0.28 0.13 115.11 119.14 1mm4 h GLN 16 Ca -0.00 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.50 1mm4 h GLN 16 Cb 0.87 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 1mm4 h GLN 16 CO 0.06 0.99 -0.53 1.15 -0.67 0.00 0.00 178.83 179.84 1mm4 h THR 17 N 0.02 1.36 0.03 -0.54 2.02 -1.22 0.35 112.91 114.93 1mm4 h THR 17 Ca -0.03 -1.81 -0.33 0.00 0.77 0.00 0.00 66.41 65.01 1mm4 h THR 17 Cb 1.72 1.90 -0.04 0.00 -1.74 0.00 0.00 68.15 69.99 1mm4 h THR 17 CO 0.14 0.53 -1.86 1.87 0.37 0.00 0.00 175.52 176.57 1mm4 n TRP 18 N -3.92 0.75 0.14 3.16 -0.00 -1.06 -4.31 117.44 112.20 1mm4 n TRP 18 Ca -0.02 0.25 0.01 0.00 -0.00 0.00 0.00 57.50 57.75 1mm4 n TRP 18 Cb 0.56 -1.08 0.33 0.00 -0.00 0.00 0.00 31.31 31.12 1mm4 n TRP 18 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 177.69 178.06 1mm4 h GLN 19 N -0.63 0.14 -3.20 5.87 5.75 -0.83 -3.49 115.11 118.72 1mm4 h GLN 19 Ca -0.47 -0.05 0.37 0.00 -0.15 0.00 0.00 58.65 58.35 1mm4 h GLN 19 Cb 1.62 -0.01 -0.12 0.00 1.07 0.00 0.00 27.48 30.04 1mm4 h GLN 19 CO -0.17 0.44 -0.71 1.04 -2.65 0.00 0.00 178.83 176.77 1mm4 n GLN 20 N -4.13 -2.94 -1.57 1.69 3.00 0.11 -4.62 117.38 108.92 1mm4 n GLN 20 Ca -0.01 2.09 -0.52 0.00 -0.01 0.00 0.00 57.00 58.55 1mm4 n GLN 20 Cb 0.38 -3.54 -0.06 0.00 0.00 0.00 0.00 30.24 27.01 1mm4 n GLN 20 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1mm4 n PRO 21 N -4.21 1.36 -0.14 -1.09 -0.02 -1.26 -4.85 135.00 124.80 1mm4 n PRO 21 Ca -0.02 0.44 -0.29 0.00 -2.02 0.00 0.00 63.50 61.62 1mm4 n PRO 21 Cb 0.65 -2.43 -0.10 0.00 -0.02 0.00 0.00 33.50 31.60 1mm4 n PRO 21 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1mm4 n GLU 22 N 7.17 0.59 -1.84 -0.52 2.13 -1.26 -4.93 120.64 121.98 1mm4 n GLU 22 Ca 0.33 0.27 -0.42 0.00 0.66 0.00 0.00 57.16 58.00 1mm4 n GLU 22 Cb 0.22 -1.51 -0.03 0.00 0.27 0.00 0.00 31.44 30.40 1mm4 n GLU 22 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1mm4 s HIS 23 N -2.50 2.28 -0.40 4.31 3.76 -1.26 -4.56 115.29 116.91 1mm4 s HIS 23 Ca -0.38 0.16 -0.05 0.00 -0.15 0.00 0.00 55.06 54.64 1mm4 s HIS 23 Cb 0.14 -4.06 0.09 0.00 1.11 0.00 0.00 32.58 29.87 1mm4 s HIS 23 CO 0.51 -4.31 0.20 0.71 -0.85 0.00 0.00 174.74 171.00 1mm4 s TYR 24 N 2.75 3.45 -0.17 1.40 2.02 -0.98 -4.36 117.35 121.46 1mm4 s TYR 24 Ca 0.77 -2.04 -0.08 0.00 -0.37 0.00 0.00 57.07 55.36 1mm4 s TYR 24 Cb -0.42 -3.00 -0.04 0.00 -0.40 0.00 0.00 41.96 38.10 1mm4 s TYR 24 CO 0.34 -0.91 0.09 -0.51 -1.57 0.00 0.00 175.55 172.98 1mm4 s ASP 25 N 1.89 5.87 0.01 2.29 1.11 -0.87 -1.66 116.67 125.30 1mm4 s ASP 25 Ca 0.04 0.19 0.03 0.00 0.18 0.00 0.00 52.55 52.99 1mm4 s ASP 25 Cb -0.23 -1.97 -0.03 0.00 1.07 0.00 0.00 42.92 41.75 1mm4 s ASP 25 CO -0.02 0.23 -0.05 -0.76 1.18 0.00 0.00 175.17 175.76 1mm4 s LEU 26 N 0.04 3.27 -0.07 1.23 2.01 0.43 -2.52 118.68 123.06 1mm4 s LEU 26 Ca 0.07 -0.12 0.02 0.00 0.01 0.00 0.00 54.13 54.10 1mm4 s LEU 26 Cb -0.12 -1.89 0.02 0.00 0.01 0.00 0.00 46.19 44.21 1mm4 s LEU 26 CO 0.00 0.27 -0.10 -0.47 1.01 0.00 0.00 176.35 177.06 1mm4 s TYR 27 N -1.05 1.40 -0.09 0.29 6.14 -0.88 -1.38 117.35 121.78 1mm4 s TYR 27 Ca 0.18 -0.56 0.01 0.00 0.64 0.00 0.00 57.07 57.35 1mm4 s TYR 27 Cb -0.11 -1.07 -0.02 0.00 0.42 0.00 0.00 41.96 41.17 1mm4 s TYR 27 CO 0.09 -0.32 -0.11 0.42 0.64 0.00 0.00 175.55 176.27 1mm4 s ILE 28 N 0.93 3.30 1.05 3.14 -1.09 -0.42 -1.49 121.20 126.62 1mm4 s ILE 28 Ca -0.10 -0.61 -0.16 0.00 -2.23 0.00 0.00 60.65 57.56 1mm4 s ILE 28 Cb -0.15 -2.35 0.22 0.00 -1.58 0.00 0.00 42.46 38.59 1mm4 s ILE 28 CO 0.01 0.56 1.15 -2.16 -1.23 0.00 0.00 174.94 173.26 1mm4 s PRO 29 N -0.27 -0.01 0.47 2.79 0.04 -1.26 -2.59 135.00 134.16 1mm4 s PRO 29 Ca 0.02 0.09 0.02 0.00 0.04 0.00 0.00 61.00 61.17 1mm4 s PRO 29 Cb -0.13 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1mm4 s PRO 29 CO 0.03 -2.93 0.08 0.00 0.04 0.00 0.00 177.00 174.21 1mm4 s ALA 30 N -3.20 3.53 -0.12 8.56 0.00 -1.26 -4.71 121.76 124.56 1mm4 s ALA 30 Ca 0.68 -0.73 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 1mm4 s ALA 30 Cb -0.12 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1mm4 s ALA 30 CO 0.55 -0.20 0.14 0.96 0.00 0.00 0.00 175.76 177.21 1mm4 s ILE 31 N -3.05 5.50 0.14 0.00 -4.36 -1.26 -5.11 121.20 113.06 1mm4 s ILE 31 Ca 0.14 0.20 0.10 0.00 -0.26 0.00 0.00 60.65 60.83 1mm4 s ILE 31 Cb 0.01 -3.40 -0.04 0.00 1.25 0.00 0.00 42.46 40.29 1mm4 s ILE 31 CO 0.09 0.62 -0.20 0.28 0.24 0.00 0.00 174.94 175.96 1mm4 s THR 32 N -1.03 2.66 -0.60 8.37 -1.32 -1.26 -5.04 115.64 117.41 1mm4 s THR 32 Ca 0.15 -1.67 -0.04 0.00 -1.21 0.00 0.00 61.69 58.92 1mm4 s THR 32 Cb -0.12 -2.23 0.16 0.00 -1.51 0.00 0.00 72.50 68.80 1mm4 s THR 32 CO 0.04 0.04 0.43 -1.66 -2.21 0.00 0.00 174.62 171.27 1mm4 s TRP 33 N -1.26 3.47 0.09 9.09 1.48 -1.26 -4.92 118.94 125.62 1mm4 s TRP 33 Ca 0.18 -2.54 0.00 0.00 -1.06 0.00 0.00 56.10 52.68 1mm4 s TRP 33 Cb -0.10 -3.29 0.00 0.00 -1.16 0.00 0.00 33.47 28.92 1mm4 s TRP 33 CO 0.10 -0.89 0.00 1.58 -4.06 0.00 0.00 176.95 173.68 1mm4 n HIS 34 N 3.79 -4.62 0.13 1.66 -0.00 -1.26 -5.06 115.22 109.86 1mm4 n HIS 34 Ca 0.06 2.76 0.00 0.00 0.46 0.00 0.00 57.72 61.00 1mm4 n HIS 34 Cb 0.39 -3.70 0.00 0.00 -0.12 0.00 0.00 29.99 26.57 1mm4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1mm4 n ALA 35 N 1.76 2.93 -1.03 1.57 0.00 -1.26 -4.88 120.51 119.60 1mm4 n ALA 35 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1mm4 n ALA 35 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 1mm4 n ALA 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1mm4 n ARG 36 N -3.35 2.37 -2.47 0.00 0.63 -1.26 -4.98 116.66 107.60 1mm4 n ARG 36 Ca 0.00 -2.79 -0.02 0.00 -0.92 0.00 0.00 57.85 54.12 1mm4 n ARG 36 Cb 0.00 -2.10 -0.02 0.00 0.45 0.00 0.00 32.46 30.79 1mm4 n ARG 36 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1mm4 n PHE 37 N -0.88 -4.30 -2.33 -0.14 -0.00 -1.26 -4.77 117.46 103.78 1mm4 n PHE 37 Ca 0.53 2.54 -0.37 0.00 -0.00 0.00 0.00 57.45 60.14 1mm4 n PHE 37 Cb 1.55 -3.64 -0.03 0.00 -0.00 0.00 0.00 39.48 37.35 1mm4 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1mm4 s ALA 38 N -0.58 2.37 0.06 3.13 0.00 -1.26 -4.96 121.76 120.52 1mm4 s ALA 38 Ca -0.12 -1.49 -0.31 0.00 0.00 0.00 0.00 51.96 50.04 1mm4 s ALA 38 Cb 0.01 -4.41 -0.08 0.00 0.00 0.00 0.00 23.12 18.64 1mm4 s ALA 38 CO 0.33 -3.86 1.66 0.71 0.00 0.00 0.00 175.76 174.60 1mm4 s TYR 39 N 7.23 2.35 0.27 0.00 1.51 -1.26 -5.00 117.35 122.45 1mm4 s TYR 39 Ca 0.53 0.29 -0.04 0.00 -1.01 0.00 0.00 57.07 56.85 1mm4 s TYR 39 Cb -0.06 -3.96 -0.05 0.00 -0.11 0.00 0.00 41.96 37.77 1mm4 s TYR 39 CO 0.06 -3.89 0.51 -0.51 -1.11 0.00 0.00 175.55 170.61 1mm4 s ASP 40 N 2.55 6.43 0.23 2.29 1.01 -1.26 -5.01 116.67 122.90 1mm4 s ASP 40 Ca 0.74 0.63 0.00 0.00 0.71 0.00 0.00 52.55 54.63 1mm4 s ASP 40 Cb -0.39 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.43 1mm4 s ASP 40 CO 0.32 -0.16 0.00 0.29 0.21 0.00 0.00 175.17 175.83 1mm4 n LYS 41 N -0.87 0.00 -3.35 8.23 4.76 -1.26 -5.05 118.16 120.62 1mm4 n LYS 41 Ca -0.02 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.19 1mm4 n LYS 41 Cb 0.54 -0.08 0.06 0.00 -1.84 0.00 0.00 35.03 33.71 1mm4 n LYS 41 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1mm4 n GLU 42 N -3.35 -6.66 -0.01 1.97 4.71 -1.26 -4.91 120.64 111.13 1mm4 n GLU 42 Ca 0.00 0.85 -0.02 0.00 -0.01 0.00 0.00 57.16 57.97 1mm4 n GLU 42 Cb 0.01 -5.78 -0.01 0.00 -1.01 0.00 0.00 31.44 24.65 1mm4 n GLU 42 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1mm4 n LYS 43 N -4.55 0.14 -3.54 3.49 3.00 -1.26 -5.03 118.16 110.41 1mm4 n LYS 43 Ca -0.04 0.06 -0.38 0.00 -0.00 0.00 0.00 58.31 57.95 1mm4 n LYS 43 Cb 0.58 -0.63 -0.06 0.00 0.00 0.00 0.00 35.03 34.92 1mm4 n LYS 43 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1mm4 s THR 44 N -1.84 5.10 -0.25 3.15 -1.32 -1.26 -5.07 115.64 114.15 1mm4 s THR 44 Ca -0.08 0.76 -0.06 0.00 -1.21 0.00 0.00 61.69 61.10 1mm4 s THR 44 Cb 0.01 -3.68 -0.02 0.00 -1.51 0.00 0.00 72.50 67.31 1mm4 s THR 44 CO 0.11 0.57 0.04 -0.62 -2.21 0.00 0.00 174.62 172.51 1mm4 s ASP 45 N -0.93 4.92 0.14 8.08 -1.08 -1.26 -5.08 116.67 121.46 1mm4 s ASP 45 Ca 0.22 -0.35 -0.12 0.00 -0.52 0.00 0.00 52.55 51.78 1mm4 s ASP 45 Cb -0.16 -1.87 0.01 0.00 -1.46 0.00 0.00 42.92 39.44 1mm4 s ASP 45 CO 0.12 -0.06 0.34 -0.60 0.52 0.00 0.00 175.17 175.48 1mm4 s ARG 46 N 1.56 1.10 -0.46 4.34 3.00 -1.26 -5.13 118.95 122.10 1mm4 s ARG 46 Ca 0.06 -0.93 -0.09 0.00 -1.00 0.00 0.00 55.73 53.76 1mm4 s ARG 46 Cb -0.15 0.42 0.11 0.00 0.00 0.00 0.00 34.95 35.33 1mm4 s ARG 46 CO 0.02 -0.41 0.32 -0.47 0.00 0.00 0.00 175.30 174.75 1mm4 s TYR 47 N -3.88 3.42 0.30 5.12 5.04 -1.26 -5.08 117.35 121.01 1mm4 s TYR 47 Ca 0.09 -1.84 -0.18 0.00 -2.44 0.00 0.00 57.07 52.70 1mm4 s TYR 47 Cb 0.02 -3.38 -0.09 0.00 0.35 0.00 0.00 41.96 38.86 1mm4 s TYR 47 CO -0.07 -0.97 0.76 1.21 -1.34 0.00 0.00 175.55 175.15 1mm4 s ASN 48 N 2.52 6.91 0.11 4.32 3.84 -1.26 -5.08 114.94 126.30 1mm4 s ASN 48 Ca 0.05 1.39 0.04 0.00 0.21 0.00 0.00 52.86 54.56 1mm4 s ASN 48 Cb -0.25 -2.41 -0.04 0.00 -0.55 0.00 0.00 41.25 37.99 1mm4 s ASN 48 CO -0.00 -0.13 0.07 -1.61 -2.79 0.00 0.00 177.10 172.64 1mm4 s GLU 49 N -2.62 2.79 -0.67 0.43 2.02 -1.26 -5.08 118.70 114.31 1mm4 s GLU 49 Ca 0.51 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.69 1mm4 s GLU 49 Cb -0.13 -2.65 0.17 0.00 0.10 0.00 0.00 34.13 31.63 1mm4 s GLU 49 CO 0.18 0.53 0.50 1.03 0.02 0.00 0.00 175.26 177.52 1mm4 s ARG 50 N -2.59 2.67 0.34 1.61 1.81 -1.26 -4.92 118.95 116.61 1mm4 s ARG 50 Ca 0.29 -2.71 0.12 0.00 -1.72 0.00 0.00 55.73 51.72 1mm4 s ARG 50 Cb -0.11 -3.74 0.61 0.00 -0.45 0.00 0.00 34.95 31.26 1mm4 s ARG 50 CO 0.21 -1.19 1.76 -1.00 -0.68 0.00 0.00 175.30 174.40 1mm4 h PRO 51 N 6.75 0.00 -3.71 3.54 0.13 -1.98 -3.49 132.00 133.24 1mm4 h PRO 51 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1mm4 h PRO 51 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1mm4 h PRO 51 CO 0.73 0.45 -0.84 0.91 -0.23 0.00 0.00 178.00 179.02 1mm4 n TRP 52 N -3.97 -4.30 0.00 1.56 8.01 -1.26 -5.00 117.44 112.48 1mm4 n TRP 52 Ca -0.02 2.34 0.00 0.00 -1.31 0.00 0.00 57.50 58.51 1mm4 n TRP 52 Cb 0.47 -3.45 0.00 0.00 -2.01 0.00 0.00 31.31 26.32 1mm4 n TRP 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1mm4 n GLY 53 N 0.75 -2.56 3.58 6.99 0.00 -1.26 -4.93 105.19 107.75 1mm4 n GLY 53 Ca 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 46.02 44.71 1mm4 n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mm4 s GLY 54 N -0.75 -0.37 0.09 -0.02 0.00 -1.07 -4.80 107.32 100.40 1mm4 s GLY 54 Ca 0.00 1.16 0.07 0.00 0.00 0.00 0.00 44.72 45.95 1mm4 s GLY 54 CO 0.00 0.37 -0.17 -0.32 0.00 0.00 0.00 173.10 172.98 1mm4 s GLY 55 N -2.44 1.05 -0.17 0.20 0.00 -0.55 -1.72 107.32 103.69 1mm4 s GLY 55 Ca 0.08 -1.12 -0.12 0.00 0.00 0.00 0.00 44.72 43.57 1mm4 s GLY 55 CO -0.06 -1.13 0.42 -0.12 0.00 0.00 0.00 173.10 172.21 1mm4 s PHE 56 N -1.22 -0.55 0.00 1.90 2.19 -1.06 -2.08 117.98 117.17 1mm4 s PHE 56 Ca 0.02 1.24 0.00 0.00 0.33 0.00 0.00 56.93 58.52 1mm4 s PHE 56 Cb -0.10 0.23 0.00 0.00 -1.31 0.00 0.00 43.02 41.84 1mm4 s PHE 56 CO 0.03 -0.29 0.00 0.41 1.83 0.00 0.00 175.22 177.20 1mm4 n GLY 57 N 3.63 1.89 3.49 13.12 0.00 -1.05 -1.69 105.19 124.58 1mm4 n GLY 57 Ca -0.19 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 1mm4 n GLY 57 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1mm4 s LEU 58 N 0.00 1.97 0.12 0.99 2.34 -0.71 -2.06 118.68 121.33 1mm4 s LEU 58 Ca 0.00 -1.68 -0.01 0.00 0.06 0.00 0.00 54.13 52.50 1mm4 s LEU 58 Cb 0.00 -0.05 -0.04 0.00 -0.56 0.00 0.00 46.19 45.54 1mm4 s LEU 58 CO 0.00 -0.94 0.04 -0.44 -1.06 0.00 0.00 176.35 173.95 1mm4 s SER 59 N -3.58 0.41 -0.24 1.48 0.01 -1.26 -2.53 113.70 107.99 1mm4 s SER 59 Ca 0.25 -1.17 -0.18 0.00 1.31 0.00 0.00 55.95 56.16 1mm4 s SER 59 Cb 0.03 0.27 0.07 0.00 0.21 0.00 0.00 66.02 66.59 1mm4 s SER 59 CO 0.16 -0.69 0.61 -0.13 0.41 0.00 0.00 173.24 173.59 1mm4 s ARG 60 N -4.02 0.68 -0.14 12.44 0.52 0.18 -4.93 118.95 123.68 1mm4 s ARG 60 Ca 0.21 0.95 -0.04 0.00 -0.52 0.00 0.00 55.73 56.34 1mm4 s ARG 60 Cb 0.07 0.25 -0.03 0.00 0.52 0.00 0.00 34.95 35.76 1mm4 s ARG 60 CO -0.00 -0.11 -0.02 1.67 0.02 0.00 0.00 175.30 176.85 1mm4 s TRP 61 N 0.81 3.06 -0.18 -0.53 1.48 -1.26 -0.42 118.94 121.90 1mm4 s TRP 61 Ca -0.04 -0.18 -0.09 0.00 -1.06 0.00 0.00 56.10 54.74 1mm4 s TRP 61 Cb -0.05 -1.93 -0.05 0.00 -1.16 0.00 0.00 33.47 30.28 1mm4 s TRP 61 CO -0.06 0.07 0.12 0.34 -4.06 0.00 0.00 176.95 173.36 1mm4 s ASP 62 N 0.13 6.12 0.63 -2.66 3.68 0.46 -4.96 116.67 120.07 1mm4 s ASP 62 Ca -0.00 0.24 0.31 0.00 2.13 0.00 0.00 52.55 55.23 1mm4 s ASP 62 Cb -0.13 -2.05 1.71 0.00 -1.45 0.00 0.00 42.92 40.99 1mm4 s ASP 62 CO 0.02 0.22 2.01 1.05 0.13 0.00 0.00 175.17 178.61 1mm4 h GLU 63 N 6.36 0.00 -0.90 4.34 -0.00 -1.99 0.16 114.58 122.55 1mm4 h GLU 63 Ca -0.43 0.00 -0.20 0.00 -0.00 0.00 0.00 59.36 58.73 1mm4 h GLU 63 Cb 1.17 0.00 -0.12 0.00 -0.00 0.00 0.00 28.75 29.80 1mm4 h GLU 63 CO 0.72 0.00 0.25 1.17 -0.00 0.00 0.00 179.01 181.15 1mm4 n LYS 64 N -3.27 2.45 -2.94 1.06 3.00 -1.26 -4.87 118.16 112.33 1mm4 n LYS 64 Ca 0.01 -1.94 -0.12 0.00 -0.00 0.00 0.00 58.31 56.26 1mm4 n LYS 64 Cb 0.38 -1.84 0.06 0.00 0.00 0.00 0.00 35.03 33.63 1mm4 n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mm4 n GLY 65 N -0.17 -0.25 2.75 3.14 0.00 0.55 -5.02 105.19 106.18 1mm4 n GLY 65 Ca 0.30 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 1mm4 n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mm4 s ASN 66 N -3.77 3.82 -0.54 1.61 2.47 -1.08 -4.91 114.94 112.54 1mm4 s ASN 66 Ca 0.09 -1.46 -0.23 0.00 0.42 0.00 0.00 52.86 51.68 1mm4 s ASN 66 Cb -0.01 -0.83 0.05 0.00 -1.45 0.00 0.00 41.25 39.00 1mm4 s ASN 66 CO 0.52 -0.38 0.86 0.86 -3.72 0.00 0.00 177.10 175.23 1mm4 s TRP 67 N 1.65 2.86 -0.21 0.43 -0.11 -0.99 -0.41 118.94 122.17 1mm4 s TRP 67 Ca 0.07 -0.17 -0.14 0.00 1.22 0.00 0.00 56.10 57.08 1mm4 s TRP 67 Cb -0.17 -3.93 -0.04 0.00 -1.50 0.00 0.00 33.47 27.82 1mm4 s TRP 67 CO -0.21 -1.27 0.32 -1.58 -4.62 0.00 0.00 176.95 169.58 1mm4 s HIS 68 N 3.59 3.37 -0.03 5.86 5.65 0.44 -1.12 115.29 133.07 1mm4 s HIS 68 Ca 0.26 0.51 0.02 0.00 0.25 0.00 0.00 55.06 56.10 1mm4 s HIS 68 Cb -0.14 -2.42 0.01 0.00 -1.18 0.00 0.00 32.58 28.84 1mm4 s HIS 68 CO 0.17 0.05 -0.07 0.20 -0.65 0.00 0.00 174.74 174.44 1mm4 s GLY 69 N 0.95 0.47 -0.15 1.59 0.00 -1.07 -0.65 107.32 108.47 1mm4 s GLY 69 Ca 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 1mm4 s GLY 69 CO 0.06 0.05 0.01 -2.27 0.00 0.00 0.00 173.10 170.95 1mm4 s LEU 70 N 0.35 1.02 0.09 0.66 0.20 -1.05 -2.30 118.68 117.66 1mm4 s LEU 70 Ca -0.05 -0.56 0.07 0.00 0.69 0.00 0.00 54.13 54.28 1mm4 s LEU 70 Cb -0.09 -0.58 -0.03 0.00 -0.43 0.00 0.00 46.19 45.05 1mm4 s LEU 70 CO 0.00 -0.25 -0.18 -0.31 -0.29 0.00 0.00 176.35 175.31 1mm4 s TYR 71 N 1.87 1.58 -0.22 5.38 2.02 -0.14 -1.73 117.35 126.11 1mm4 s TYR 71 Ca 0.01 -0.43 -0.00 0.00 -0.37 0.00 0.00 57.07 56.28 1mm4 s TYR 71 Cb -0.15 -0.88 0.06 0.00 -0.40 0.00 0.00 41.96 40.59 1mm4 s TYR 71 CO -0.07 0.15 -0.03 0.00 -1.57 0.00 0.00 175.55 174.03 1mm4 s ALA 72 N -1.19 1.74 0.54 3.71 0.00 -0.68 -0.96 121.76 124.92 1mm4 s ALA 72 Ca 0.03 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1mm4 s ALA 72 Cb -0.10 -1.37 0.03 0.00 0.00 0.00 0.00 23.12 21.68 1mm4 s ALA 72 CO 0.03 -1.19 0.76 1.41 0.00 0.00 0.00 175.76 176.78 1mm4 s MET 73 N 1.50 2.63 -0.20 0.00 1.75 0.25 -2.56 119.30 122.67 1mm4 s MET 73 Ca -0.05 -0.73 -0.17 0.00 -1.25 0.00 0.00 55.69 53.49 1mm4 s MET 73 Cb -0.18 -2.50 0.06 0.00 2.84 0.00 0.00 34.83 35.04 1mm4 s MET 73 CO -0.07 -0.64 0.53 0.00 -0.65 0.00 0.00 175.02 174.19 1mm4 s ALA 74 N -2.73 -1.34 -0.32 4.11 0.00 -0.70 -2.54 121.76 118.23 1mm4 s ALA 74 Ca 0.56 1.59 -0.01 0.00 0.00 0.00 0.00 51.96 54.10 1mm4 s ALA 74 Cb -0.10 -0.93 0.07 0.00 0.00 0.00 0.00 23.12 22.15 1mm4 s ALA 74 CO 0.38 -0.27 0.04 0.12 0.00 0.00 0.00 175.76 176.03 1mm4 s PHE 75 N 0.53 3.38 -0.42 0.00 2.19 -1.07 -2.60 117.98 120.00 1mm4 s PHE 75 Ca -0.02 -2.13 -0.22 0.00 0.33 0.00 0.00 56.93 54.89 1mm4 s PHE 75 Cb -0.04 -2.40 0.02 0.00 -1.31 0.00 0.00 43.02 39.28 1mm4 s PHE 75 CO -0.03 -0.86 0.70 0.21 1.83 0.00 0.00 175.22 177.07 1mm4 s LYS 76 N 1.18 3.44 0.12 10.12 2.36 -1.26 -1.60 119.74 134.10 1mm4 s LYS 76 Ca -0.01 -0.14 0.08 0.00 -2.55 0.00 0.00 55.97 53.34 1mm4 s LYS 76 Cb -0.20 -3.91 -0.04 0.00 -1.05 0.00 0.00 37.83 32.63 1mm4 s LYS 76 CO -0.03 -0.98 -0.12 0.34 1.55 0.00 0.00 175.35 176.12 1mm4 s ASP 77 N 1.99 4.25 0.23 1.43 3.68 -1.26 -4.84 116.67 122.15 1mm4 s ASP 77 Ca 0.26 -0.46 0.24 0.00 2.13 0.00 0.00 52.55 54.72 1mm4 s ASP 77 Cb -0.13 -0.75 0.40 0.00 -1.45 0.00 0.00 42.92 40.98 1mm4 s ASP 77 CO 0.19 0.16 1.45 -1.28 0.13 0.00 0.00 175.17 175.82 1mm4 h SER 78 N 3.49 0.00 0.15 -0.34 0.87 -1.96 -3.37 113.55 112.40 1mm4 h SER 78 Ca -0.49 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.00 1mm4 h SER 78 Cb 1.17 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1mm4 h SER 78 CO 0.51 0.03 -0.27 -0.50 -0.53 0.00 0.00 176.83 176.08 1mm4 h TRP 79 N 0.00 -0.76 0.00 2.24 4.06 -2.02 -3.45 115.95 116.02 1mm4 h TRP 79 Ca 0.00 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1mm4 h TRP 79 Cb 0.85 0.31 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 1mm4 h TRP 79 CO 0.00 -0.33 0.00 0.09 -3.56 0.00 0.00 178.44 174.64 1mm4 n ASN 80 N -3.97 0.00 -3.94 -3.49 4.13 -1.26 -5.16 115.26 101.57 1mm4 n ASN 80 Ca -0.05 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.12 1mm4 n ASN 80 Cb 0.22 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.42 1mm4 n ASN 80 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1mm4 s LYS 81 N -0.37 1.56 0.54 3.52 2.36 -1.26 -5.00 119.74 121.09 1mm4 s LYS 81 Ca 0.00 -1.16 -0.19 0.00 -2.55 0.00 0.00 55.97 52.07 1mm4 s LYS 81 Cb 0.00 0.50 -0.06 0.00 -1.05 0.00 0.00 37.83 37.22 1mm4 s LYS 81 CO 0.00 -0.66 1.08 1.67 1.55 0.00 0.00 175.35 178.99 1mm4 s TRP 82 N -3.98 2.84 -0.17 4.03 1.48 -1.26 -4.28 118.94 117.60 1mm4 s TRP 82 Ca 0.19 1.55 -0.01 0.00 -1.06 0.00 0.00 56.10 56.77 1mm4 s TRP 82 Cb -0.02 -3.15 -0.00 0.00 -1.16 0.00 0.00 33.47 29.14 1mm4 s TRP 82 CO 0.07 -1.23 -0.13 -1.21 -4.06 0.00 0.00 176.95 170.40 1mm4 s GLU 83 N -3.44 3.28 0.40 3.25 0.41 -0.63 -4.96 118.70 117.01 1mm4 s GLU 83 Ca 0.69 -0.71 -0.23 0.00 -0.41 0.00 0.00 54.97 54.31 1mm4 s GLU 83 Cb -0.20 -2.71 -0.10 0.00 -1.78 0.00 0.00 34.13 29.35 1mm4 s GLU 83 CO 0.27 0.00 0.98 -1.25 -0.49 0.00 0.00 175.26 174.77 1mm4 s PRO 84 N 0.88 4.28 -0.26 0.39 0.04 -1.26 -2.60 135.00 136.47 1mm4 s PRO 84 Ca -0.03 1.30 -0.07 0.00 0.04 0.00 0.00 61.00 62.24 1mm4 s PRO 84 Cb -0.15 -2.44 0.12 0.00 0.04 0.00 0.00 34.50 32.08 1mm4 s PRO 84 CO -0.00 -0.00 0.53 -1.50 0.04 0.00 0.00 177.00 176.06 1mm4 s ILE 85 N -1.87 -0.82 0.22 0.56 1.10 -1.05 -4.42 121.20 114.92 1mm4 s ILE 85 Ca 0.58 0.05 0.07 0.00 -0.51 0.00 0.00 60.65 60.85 1mm4 s ILE 85 Cb -0.16 -0.85 -0.04 0.00 0.15 0.00 0.00 42.46 41.56 1mm4 s ILE 85 CO 0.20 0.01 0.10 0.00 -2.11 0.00 0.00 174.94 173.14 1mm4 s ALA 86 N 2.75 3.41 -0.24 1.50 0.00 -1.07 -0.58 121.76 127.53 1mm4 s ALA 86 Ca 0.02 -1.42 -0.19 0.00 0.00 0.00 0.00 51.96 50.37 1mm4 s ALA 86 Cb -0.13 -1.13 0.07 0.00 0.00 0.00 0.00 23.12 21.92 1mm4 s ALA 86 CO -0.17 0.36 0.62 0.20 0.00 0.00 0.00 175.76 176.77 1mm4 s GLY 87 N -3.46 -0.50 -0.06 0.00 0.00 -0.13 -1.56 107.32 101.60 1mm4 s GLY 87 Ca 0.31 1.93 -0.26 0.00 0.00 0.00 0.00 44.72 46.70 1mm4 s GLY 87 CO 0.22 1.79 0.58 -2.52 0.00 0.00 0.00 173.10 173.17 1mm4 s TYR 88 N 0.82 -0.54 0.00 1.90 1.13 -0.08 -0.97 117.35 119.61 1mm4 s TYR 88 Ca -0.04 0.96 0.00 0.00 -1.41 0.00 0.00 57.07 56.58 1mm4 s TYR 88 Cb -0.05 0.31 0.00 0.00 -1.10 0.00 0.00 41.96 41.12 1mm4 s TYR 88 CO -0.06 -0.52 0.00 0.41 -2.51 0.00 0.00 175.55 172.86 1mm4 n GLY 89 N 1.19 0.91 3.71 5.49 0.00 -0.97 -0.42 105.19 115.09 1mm4 n GLY 89 Ca -0.19 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 1mm4 n GLY 89 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1mm4 s TRP 90 N -3.83 3.05 0.00 1.61 -2.14 -0.75 -2.59 118.94 114.30 1mm4 s TRP 90 Ca 0.00 0.01 -0.01 0.00 2.66 0.00 0.00 56.10 58.75 1mm4 s TRP 90 Cb 0.00 -1.56 -0.01 0.00 -3.10 0.00 0.00 33.47 28.80 1mm4 s TRP 90 CO 0.00 0.49 0.02 -2.00 -2.66 0.00 0.00 176.95 172.80 1mm4 s GLU 91 N -2.32 0.20 -0.31 3.25 -6.30 -0.27 -1.37 118.70 111.59 1mm4 s GLU 91 Ca 0.27 -0.28 0.03 0.00 -2.50 0.00 0.00 54.97 52.49 1mm4 s GLU 91 Cb -0.12 0.08 0.09 0.00 0.00 0.00 0.00 34.13 34.17 1mm4 s GLU 91 CO 0.19 -0.04 0.00 -1.54 0.02 0.00 0.00 175.26 173.90 1mm4 s SER 92 N -0.75 4.53 -0.23 -1.70 1.04 -0.75 -2.36 113.70 113.48 1mm4 s SER 92 Ca -0.08 -1.81 -0.29 0.00 0.48 0.00 0.00 55.95 54.24 1mm4 s SER 92 Cb -0.05 -1.50 0.00 0.00 0.10 0.00 0.00 66.02 64.57 1mm4 s SER 92 CO -0.00 -0.32 1.15 0.28 0.98 0.00 0.00 173.24 175.33 1mm4 s THR 93 N 1.06 4.47 0.17 2.02 -1.32 -1.26 -1.80 115.64 118.98 1mm4 s THR 93 Ca 0.04 1.76 0.08 0.00 -1.21 0.00 0.00 61.69 62.36 1mm4 s THR 93 Cb -0.19 -4.20 -0.04 0.00 -1.51 0.00 0.00 72.50 66.56 1mm4 s THR 93 CO -0.08 -0.23 -0.07 0.26 -2.21 0.00 0.00 174.62 172.28 1mm4 s TRP 94 N 3.47 2.70 -0.09 9.09 0.52 0.43 -4.92 118.94 130.14 1mm4 s TRP 94 Ca 0.49 -0.19 -0.01 0.00 0.02 0.00 0.00 56.10 56.41 1mm4 s TRP 94 Cb -0.17 -1.33 -0.03 0.00 -1.15 0.00 0.00 33.47 30.79 1mm4 s TRP 94 CO 0.12 0.50 -0.03 -0.98 0.02 0.00 0.00 176.95 176.58 1mm4 s ARG 95 N -2.77 3.05 0.00 4.98 3.03 -1.26 -1.82 118.95 124.15 1mm4 s ARG 95 Ca 0.25 -0.48 0.00 0.00 2.03 0.00 0.00 55.73 57.53 1mm4 s ARG 95 Cb -0.09 -2.75 0.00 0.00 -1.03 0.00 0.00 34.95 31.08 1mm4 s ARG 95 CO 0.16 0.59 0.00 -0.35 -1.13 0.00 0.00 175.30 174.57 1mm4 n PRO 96 N 2.47 -0.15 -4.37 3.89 -0.04 -1.26 -5.01 135.00 130.52 1mm4 n PRO 96 Ca -0.18 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.93 1mm4 n PRO 96 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 1mm4 n PRO 96 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1mm4 s LEU 97 N 0.00 3.53 -1.61 1.53 0.20 -1.26 -4.46 118.68 116.60 1mm4 s LEU 97 Ca 0.00 0.09 -0.01 0.00 0.69 0.00 0.00 54.13 54.90 1mm4 s LEU 97 Cb 0.00 -1.81 0.00 0.00 -0.43 0.00 0.00 46.19 43.95 1mm4 s LEU 97 CO 0.00 0.34 0.13 0.00 -0.29 0.00 0.00 176.35 176.52 1mm4 n ALA 98 N 2.41 -0.65 -3.48 5.97 0.00 -1.26 -4.96 120.51 118.56 1mm4 n ALA 98 Ca -0.18 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mm4 n ALA 98 Cb 0.53 -2.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.50 1mm4 n ALA 98 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1mm4 s ASP 99 N -2.26 -0.61 -0.15 0.00 3.68 -1.26 -5.05 116.67 111.02 1mm4 s ASP 99 Ca 0.06 0.87 0.08 0.00 2.13 0.00 0.00 52.55 55.69 1mm4 s ASP 99 Cb -0.03 1.61 -0.15 0.00 -1.45 0.00 0.00 42.92 42.90 1mm4 s ASP 99 CO 0.08 -0.12 -0.03 -1.84 0.13 0.00 0.00 175.17 173.39 1mm4 n GLU 100 N 4.72 1.27 0.18 4.34 -0.00 -1.26 -4.05 120.64 125.84 1mm4 n GLU 100 Ca -0.12 0.03 0.07 0.00 -0.00 0.00 0.00 57.16 57.14 1mm4 n GLU 100 Cb 0.53 -1.35 0.57 0.00 -0.00 0.00 0.00 31.44 31.19 1mm4 n GLU 100 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1mm4 h ASN 101 N 0.00 0.14 -3.45 -1.84 2.35 -1.97 -3.41 115.58 107.40 1mm4 h ASN 101 Ca -0.38 -0.01 -0.54 0.00 -0.55 0.00 0.00 56.30 54.83 1mm4 h ASN 101 Cb 1.76 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 40.06 1mm4 h ASN 101 CO -0.01 0.11 0.25 0.12 -1.65 0.00 0.00 177.43 176.26 1mm4 s PHE 102 N -5.16 3.71 -0.03 1.19 2.19 -1.26 -4.67 117.98 113.95 1mm4 s PHE 102 Ca -0.06 1.58 0.07 0.00 0.33 0.00 0.00 56.93 58.85 1mm4 s PHE 102 Cb 0.17 -2.95 -0.02 0.00 -1.31 0.00 0.00 43.02 38.91 1mm4 s PHE 102 CO 0.69 0.16 -0.24 -1.01 1.83 0.00 0.00 175.22 176.64 1mm4 s HIS 103 N 0.36 2.22 -0.17 10.12 3.76 -0.97 -4.36 115.29 126.25 1mm4 s HIS 103 Ca 0.44 -0.51 -0.07 0.00 -0.15 0.00 0.00 55.06 54.77 1mm4 s HIS 103 Cb -0.21 -1.44 0.07 0.00 1.11 0.00 0.00 32.58 32.11 1mm4 s HIS 103 CO 0.25 -0.10 0.37 -0.48 -0.85 0.00 0.00 174.74 173.93 1mm4 s LEU 104 N -0.41 -0.37 0.00 0.89 0.05 -0.76 -2.59 118.68 115.49 1mm4 s LEU 104 Ca 0.05 0.85 0.07 0.00 0.05 0.00 0.00 54.13 55.14 1mm4 s LEU 104 Cb -0.11 1.16 -0.02 0.00 -2.05 0.00 0.00 46.19 45.17 1mm4 s LEU 104 CO 0.01 -0.22 0.24 0.61 -0.55 0.00 0.00 176.35 176.43 1mm4 n GLY 105 N 5.04 3.07 3.32 -3.48 0.00 -0.55 -0.43 105.19 112.17 1mm4 n GLY 105 Ca -0.12 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 43.88 1mm4 n GLY 105 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mm4 s LEU 106 N 0.00 0.38 0.00 0.99 0.20 -0.74 -2.42 118.68 117.08 1mm4 s LEU 106 Ca 0.34 0.68 -0.10 0.00 0.69 0.00 0.00 54.13 55.74 1mm4 s LEU 106 Cb 0.02 1.53 0.04 0.00 -0.43 0.00 0.00 46.19 47.34 1mm4 s LEU 106 CO 0.24 -0.26 0.50 0.61 -0.29 0.00 0.00 176.35 177.16 1mm4 n GLY 107 N 2.33 1.01 3.52 7.98 0.00 -0.73 -1.81 105.19 117.50 1mm4 n GLY 107 Ca -0.16 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.24 2.67 -0.17 1.61 0.40 -0.47 -2.13 117.98 115.66 1mm4 s PHE 108 Ca 0.11 -0.18 -0.01 0.00 -0.60 0.00 0.00 56.93 56.25 1mm4 s PHE 108 Cb -0.02 -1.47 0.04 0.00 0.51 0.00 0.00 43.02 42.09 1mm4 s PHE 108 CO 0.03 0.34 -0.04 0.95 0.70 0.00 0.00 175.22 177.21 1mm4 s THR 109 N -1.05 1.03 -0.26 0.64 -4.23 -0.97 -1.81 115.64 108.99 1mm4 s THR 109 Ca 0.17 -0.62 -0.14 0.00 -1.18 0.00 0.00 61.69 59.92 1mm4 s THR 109 Cb -0.11 -1.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.44 1mm4 s THR 109 CO 0.09 0.08 0.33 0.00 -0.54 0.00 0.00 174.62 174.58 1mm4 s ALA 110 N 1.66 3.56 -0.10 3.99 0.00 0.43 -1.74 121.76 129.56 1mm4 s ALA 110 Ca 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 1mm4 s ALA 110 Cb -0.16 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1mm4 s ALA 110 CO -0.07 -0.55 -0.02 0.20 0.00 0.00 0.00 175.76 175.31 1mm4 s GLY 111 N 1.52 1.78 -0.07 0.00 0.00 -0.15 -0.90 107.32 109.51 1mm4 s GLY 111 Ca 0.14 -0.83 0.04 0.00 0.00 0.00 0.00 44.72 44.07 1mm4 s GLY 111 CO 0.09 -0.43 -0.17 -1.34 0.00 0.00 0.00 173.10 171.24 1mm4 s VAL 112 N -0.48 2.75 0.19 1.40 -7.23 -0.60 -0.42 120.40 116.00 1mm4 s VAL 112 Ca 0.08 -0.82 0.07 0.00 -1.81 0.00 0.00 61.98 59.50 1mm4 s VAL 112 Cb -0.12 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 1mm4 s VAL 112 CO 0.02 0.57 0.07 0.42 -0.31 0.00 0.00 175.10 175.87 1mm4 s THR 113 N -0.31 4.03 0.02 5.32 -4.23 -1.07 -2.59 115.64 116.80 1mm4 s THR 113 Ca 0.02 -1.36 -0.07 0.00 -1.18 0.00 0.00 61.69 59.10 1mm4 s THR 113 Cb -0.13 -3.07 -0.00 0.00 1.34 0.00 0.00 72.50 70.64 1mm4 s THR 113 CO 0.02 -0.17 0.13 0.00 -0.54 0.00 0.00 174.62 174.07 1mm4 s ALA 114 N -1.85 -0.25 0.59 3.99 0.00 -1.26 -2.44 121.76 120.53 1mm4 s ALA 114 Ca 0.30 -0.28 0.09 0.00 0.00 0.00 0.00 51.96 52.07 1mm4 s ALA 114 Cb -0.09 0.18 0.09 0.00 0.00 0.00 0.00 23.12 23.30 1mm4 s ALA 114 CO 0.21 -0.27 0.78 0.54 0.00 0.00 0.00 175.76 177.02 1mm4 n ARG 115 N 1.12 0.60 0.07 0.00 1.74 -1.26 -4.71 116.66 114.22 1mm4 n ARG 115 Ca -0.21 -3.25 -0.21 0.00 -0.77 0.00 0.00 57.85 53.41 1mm4 n ARG 115 Cb 0.57 -0.17 -0.15 0.00 -1.02 0.00 0.00 32.46 31.69 1mm4 n ARG 115 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1mm4 h ASP 116 N 0.17 0.56 -3.58 0.55 3.32 -2.02 -3.43 116.42 111.99 1mm4 h ASP 116 Ca -0.29 -0.94 -0.66 0.00 0.02 0.00 0.00 57.03 55.16 1mm4 h ASP 116 Cb 1.28 -0.18 -0.16 0.00 0.22 0.00 0.00 39.33 40.49 1mm4 h ASP 116 CO 0.42 1.46 -0.03 0.20 -1.72 0.00 0.00 179.24 179.57 1mm4 s ASN 117 N -7.11 6.28 -0.71 6.45 -0.87 -1.26 -4.99 114.94 112.74 1mm4 s ASN 117 Ca -0.13 -0.34 -0.26 0.00 -1.57 0.00 0.00 52.86 50.57 1mm4 s ASN 117 Cb 0.02 -2.27 -0.08 0.00 -0.02 0.00 0.00 41.25 38.90 1mm4 s ASN 117 CO 0.86 -0.62 2.20 0.86 -2.57 0.00 0.00 177.10 177.82 1mm4 s TRP 118 N 2.48 1.38 0.00 2.20 -0.11 -1.26 -4.47 118.94 119.15 1mm4 s TRP 118 Ca 0.18 1.33 0.00 0.00 1.22 0.00 0.00 56.10 58.84 1mm4 s TRP 118 Cb -0.15 -3.74 0.00 0.00 -1.50 0.00 0.00 33.47 28.08 1mm4 s TRP 118 CO 0.16 -2.00 0.00 0.09 -4.62 0.00 0.00 176.95 170.58 1mm4 n ASN 119 N 15.75 0.34 -4.89 5.86 3.02 -1.26 -5.11 115.26 128.97 1mm4 n ASN 119 Ca 0.38 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.72 1mm4 n ASN 119 Cb 0.49 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.63 1mm4 n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1mm4 s TYR 120 N -1.90 2.79 0.59 3.10 5.04 -1.26 -5.12 117.35 120.58 1mm4 s TYR 120 Ca 0.00 -0.42 -0.11 0.00 -2.44 0.00 0.00 57.07 54.10 1mm4 s TYR 120 Cb 0.00 -2.08 -0.05 0.00 0.35 0.00 0.00 41.96 40.18 1mm4 s TYR 120 CO 0.00 -0.06 1.00 0.96 -1.34 0.00 0.00 175.55 176.11 1mm4 s ILE 121 N -2.40 4.70 1.05 3.14 -4.36 -1.26 -4.98 121.20 117.09 1mm4 s ILE 121 Ca 0.47 0.87 -0.16 0.00 -0.26 0.00 0.00 60.65 61.57 1mm4 s ILE 121 Cb -0.05 -3.85 0.09 0.00 1.25 0.00 0.00 42.46 39.90 1mm4 s ILE 121 CO 0.28 -1.05 0.24 -2.65 0.24 0.00 0.00 174.94 172.00 1mm4 n PRO 122 N -2.52 -1.08 -3.83 0.37 -0.02 -1.26 -4.99 135.00 121.67 1mm4 n PRO 122 Ca 0.06 -0.29 -0.29 0.00 -2.02 0.00 0.00 63.50 60.96 1mm4 n PRO 122 Cb 0.54 -1.80 -0.13 0.00 -0.02 0.00 0.00 33.50 32.09 1mm4 n PRO 122 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1mm4 s LEU 123 N -1.60 3.83 0.66 2.45 1.02 -1.02 -4.94 118.68 119.08 1mm4 s LEU 123 Ca 0.57 -3.16 -0.14 0.00 0.02 0.00 0.00 54.13 51.42 1mm4 s LEU 123 Cb -0.17 -1.39 -0.00 0.00 0.02 0.00 0.00 46.19 44.65 1mm4 s LEU 123 CO 0.66 -0.19 1.08 -2.16 0.02 0.00 0.00 176.35 175.76 1mm4 s PRO 124 N -0.44 2.89 -0.17 1.29 0.04 -1.26 -2.59 135.00 134.76 1mm4 s PRO 124 Ca 0.21 1.22 -0.18 0.00 0.04 0.00 0.00 61.00 62.29 1mm4 s PRO 124 Cb -0.17 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.44 1mm4 s PRO 124 CO -0.06 -1.16 0.49 0.54 0.04 0.00 0.00 177.00 176.86 1mm4 s VAL 125 N -2.59 0.00 -0.08 -0.36 0.11 0.44 -4.95 120.40 112.97 1mm4 s VAL 125 Ca 0.63 -0.04 -0.15 0.00 -2.93 0.00 0.00 61.98 59.49 1mm4 s VAL 125 Cb -0.17 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 1mm4 s VAL 125 CO 0.45 -0.02 0.40 -0.76 -3.33 0.00 0.00 175.10 171.83 1mm4 s LEU 126 N 0.06 4.36 -0.29 2.54 1.43 -1.26 -0.97 118.68 124.54 1mm4 s LEU 126 Ca -0.02 0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 53.87 1mm4 s LEU 126 Cb -0.03 -2.56 0.12 0.00 0.03 0.00 0.00 46.19 43.75 1mm4 s LEU 126 CO 0.01 0.18 0.24 -0.76 0.23 0.00 0.00 176.35 176.25 1mm4 s LEU 127 N -0.20 0.02 0.35 1.79 1.43 -0.71 -5.00 118.68 116.36 1mm4 s LEU 127 Ca 0.23 -0.95 -0.27 0.00 -1.03 0.00 0.00 54.13 52.11 1mm4 s LEU 127 Cb -0.15 0.22 -0.09 0.00 0.03 0.00 0.00 46.19 46.20 1mm4 s LEU 127 CO 0.10 -0.40 1.18 -2.16 0.23 0.00 0.00 176.35 175.30 1mm4 s PRO 128 N 2.26 4.31 0.27 1.29 0.04 -1.26 -2.29 135.00 139.61 1mm4 s PRO 128 Ca 0.09 1.92 -0.21 0.00 0.04 0.00 0.00 61.00 62.85 1mm4 s PRO 128 Cb -0.15 -2.93 0.04 0.00 0.04 0.00 0.00 34.50 31.50 1mm4 s PRO 128 CO -0.34 -0.13 0.79 -0.48 0.04 0.00 0.00 177.00 176.89 1mm4 s LEU 129 N -2.01 -0.19 0.26 -3.56 0.05 -0.91 -2.44 118.68 109.87 1mm4 s LEU 129 Ca 0.51 -0.65 0.12 0.00 0.05 0.00 0.00 54.13 54.16 1mm4 s LEU 129 Cb -0.33 2.60 -0.05 0.00 -2.05 0.00 0.00 46.19 46.36 1mm4 s LEU 129 CO 0.43 -1.29 -0.19 0.00 -0.55 0.00 0.00 176.35 174.75 1mm4 s ALA 130 N -3.49 2.74 -0.10 1.48 0.00 -0.08 -1.77 121.76 120.54 1mm4 s ALA 130 Ca 0.12 -1.80 0.03 0.00 0.00 0.00 0.00 51.96 50.30 1mm4 s ALA 130 Cb -0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 1mm4 s ALA 130 CO 0.07 0.31 -0.18 -1.12 0.00 0.00 0.00 175.76 174.84 1mm4 s SER 131 N -3.34 3.64 -0.18 0.00 0.01 -1.01 -2.45 113.70 110.38 1mm4 s SER 131 Ca 0.28 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 57.16 1mm4 s SER 131 Cb -0.06 -1.29 0.02 0.00 0.21 0.00 0.00 66.02 64.90 1mm4 s SER 131 CO 0.14 0.21 -0.19 -0.69 0.41 0.00 0.00 173.24 173.13 1mm4 s VAL 132 N 0.06 2.18 -0.35 3.43 1.01 0.44 -1.48 120.40 125.69 1mm4 s VAL 132 Ca -0.07 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 1mm4 s VAL 132 Cb -0.15 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.34 1mm4 s VAL 132 CO 0.05 0.53 0.15 -0.83 0.00 0.00 0.00 175.10 175.00 1mm4 s GLY 133 N 1.27 1.87 -0.13 4.51 0.00 -1.07 -1.49 107.32 112.29 1mm4 s GLY 133 Ca 0.04 -1.68 -0.02 0.00 0.00 0.00 0.00 44.72 43.06 1mm4 s GLY 133 CO -0.11 0.78 0.02 -0.47 0.00 0.00 0.00 173.10 173.32 1mm4 s TYR 134 N 1.49 0.82 0.00 1.90 5.04 -1.07 -2.30 117.35 123.23 1mm4 s TYR 134 Ca 0.01 -0.50 0.00 0.00 -2.44 0.00 0.00 57.07 54.14 1mm4 s TYR 134 Cb -0.19 -0.91 0.00 0.00 0.35 0.00 0.00 41.96 41.21 1mm4 s TYR 134 CO 0.05 -0.47 0.00 0.41 -1.34 0.00 0.00 175.55 174.20 1mm4 n GLY 135 N 5.11 1.01 0.00 8.97 0.00 -1.26 -2.43 105.19 116.58 1mm4 n GLY 135 Ca -0.08 -0.62 0.10 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 0.18 -4.14 1.61 -0.04 -1.26 -4.77 135.00 126.58 1mm4 n PRO 136 Ca 0.00 0.12 -0.26 0.00 -0.04 0.00 0.00 63.50 63.32 1mm4 n PRO 136 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -2.72 4.14 -0.01 0.52 1.01 -1.02 -4.54 120.40 117.79 1mm4 s VAL 137 Ca 0.15 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 60.90 1mm4 s VAL 137 Cb 0.13 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1mm4 s VAL 137 CO 0.32 -0.12 -0.04 0.42 0.00 0.00 0.00 175.10 175.68 1mm4 s THR 138 N -1.76 0.37 0.06 3.92 -4.23 -1.01 -2.59 115.64 110.40 1mm4 s THR 138 Ca 0.30 -0.17 0.09 0.00 -1.18 0.00 0.00 61.69 60.72 1mm4 s THR 138 Cb -0.10 -0.34 -0.03 0.00 1.34 0.00 0.00 72.50 73.38 1mm4 s THR 138 CO 0.21 0.12 -0.24 -0.36 -0.54 0.00 0.00 174.62 173.81 1mm4 s PHE 139 N 0.07 2.13 -0.14 3.99 0.40 -0.55 -0.94 117.98 122.93 1mm4 s PHE 139 Ca -0.00 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1mm4 s PHE 139 Cb -0.04 -1.24 0.04 0.00 0.51 0.00 0.00 43.02 42.28 1mm4 s PHE 139 CO -0.00 0.16 -0.04 -1.14 0.70 0.00 0.00 175.22 174.90 1mm4 s GLN 140 N -1.42 1.25 -0.13 0.44 0.74 -0.73 -0.42 119.66 119.38 1mm4 s GLN 140 Ca 0.11 -0.34 -0.05 0.00 0.05 0.00 0.00 55.36 55.13 1mm4 s GLN 140 Cb -0.10 -1.74 -0.04 0.00 1.10 0.00 0.00 33.01 32.24 1mm4 s GLN 140 CO 0.03 -0.39 0.05 -1.64 -0.55 0.00 0.00 175.29 172.79 1mm4 s MET 141 N 1.73 3.46 0.00 1.67 -1.94 -1.02 -2.13 119.30 121.06 1mm4 s MET 141 Ca 0.02 -0.34 -0.01 0.00 -1.71 0.00 0.00 55.69 53.66 1mm4 s MET 141 Cb -0.14 -3.02 -0.04 0.00 2.01 0.00 0.00 34.83 33.64 1mm4 s MET 141 CO -0.07 0.54 0.10 0.99 -0.01 0.00 0.00 175.02 176.57 1mm4 s THR 142 N -0.41 4.86 -0.04 2.05 2.01 -1.07 -0.90 115.64 122.14 1mm4 s THR 142 Ca 0.09 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 61.73 1mm4 s THR 142 Cb -0.12 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.15 1mm4 s THR 142 CO 0.02 0.32 -0.12 -0.47 -0.69 0.00 0.00 174.62 173.68 1mm4 s TYR 143 N -1.24 1.25 -0.23 4.92 5.04 -1.02 -2.60 117.35 123.46 1mm4 s TYR 143 Ca 0.24 -0.35 0.01 0.00 -2.44 0.00 0.00 57.07 54.53 1mm4 s TYR 143 Cb -0.12 -0.88 0.06 0.00 0.35 0.00 0.00 41.96 41.37 1mm4 s TYR 143 CO 0.16 -0.15 -0.07 -1.50 -1.34 0.00 0.00 175.55 172.65 1mm4 s ILE 144 N 0.23 1.67 0.44 3.14 1.10 -1.25 -4.45 121.20 122.09 1mm4 s ILE 144 Ca -0.05 -1.27 -0.24 0.00 -0.51 0.00 0.00 60.65 58.59 1mm4 s ILE 144 Cb -0.11 -1.88 -0.08 0.00 0.15 0.00 0.00 42.46 40.55 1mm4 s ILE 144 CO 0.01 -0.04 1.18 -2.16 -2.11 0.00 0.00 174.94 171.82 1mm4 s PRO 145 N 1.34 3.85 -0.64 3.50 0.04 -1.26 -4.12 135.00 137.71 1mm4 s PRO 145 Ca -0.06 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1mm4 s PRO 145 Cb -0.19 -2.51 0.41 0.00 0.04 0.00 0.00 34.50 32.26 1mm4 s PRO 145 CO -0.06 -0.49 1.76 0.41 0.04 0.00 0.00 177.00 178.65 1mm4 n GLY 146 N 0.52 5.86 5.00 0.56 0.00 -1.26 -4.96 105.19 110.91 1mm4 n GLY 146 Ca 0.06 -2.50 0.00 0.00 0.00 0.00 0.00 46.02 43.58 1mm4 n GLY 146 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mm4 n THR 147 N -0.69 0.00 -1.31 2.61 -1.04 -1.26 -3.42 114.28 109.18 1mm4 n THR 147 Ca 0.53 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.41 1mm4 n THR 147 Cb 0.56 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 69.27 1mm4 n THR 147 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1mm4 n TYR 148 N 0.00 2.12 -2.80 -1.42 4.02 -1.26 -4.98 117.16 112.83 1mm4 n TYR 148 Ca 0.00 -1.68 -0.02 0.00 -0.01 0.00 0.00 57.90 56.19 1mm4 n TYR 148 Cb 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 39.34 38.60 1mm4 n TYR 148 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1mm4 n ASN 149 N -1.06 -7.85 -3.65 7.72 5.15 -1.22 -5.07 115.26 109.29 1mm4 n ASN 149 Ca 0.46 1.17 -0.04 0.00 -0.60 0.00 0.00 54.58 55.57 1mm4 n ASN 149 Cb 1.36 -4.93 -0.07 0.00 -0.53 0.00 0.00 39.78 35.62 1mm4 n ASN 149 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1mm4 s ASN 150 N -1.73 -0.18 -1.15 1.20 3.84 -1.26 -4.93 114.94 110.72 1mm4 s ASN 150 Ca 0.05 0.34 -0.03 0.00 0.21 0.00 0.00 52.86 53.43 1mm4 s ASN 150 Cb -0.01 0.44 0.00 0.00 -0.55 0.00 0.00 41.25 41.13 1mm4 s ASN 150 CO 0.71 -0.06 0.43 0.61 -2.79 0.00 0.00 177.10 176.00 1mm4 n GLY 151 N 1.96 -0.20 3.58 1.21 0.00 -1.26 -4.27 105.19 106.21 1mm4 n GLY 151 Ca -0.12 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.76 1.88 -0.03 1.61 0.01 -1.26 -4.91 114.94 109.47 1mm4 s ASN 152 Ca 0.21 1.50 0.01 0.00 -0.71 0.00 0.00 52.86 53.88 1mm4 s ASN 152 Cb -0.09 -2.21 0.01 0.00 0.41 0.00 0.00 41.25 39.37 1mm4 s ASN 152 CO 0.26 -3.64 -0.05 -0.69 -1.51 0.00 0.00 177.10 171.47 1mm4 s VAL 153 N -2.66 0.50 -0.28 1.60 1.01 -1.26 -5.03 120.40 114.28 1mm4 s VAL 153 Ca 0.67 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.41 1mm4 s VAL 153 Cb -0.22 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 1mm4 s VAL 153 CO 0.61 0.19 0.11 -0.31 0.00 0.00 0.00 175.10 175.70 1mm4 s TYR 154 N 0.59 3.13 0.08 5.22 1.51 -1.26 -3.84 117.35 122.78 1mm4 s TYR 154 Ca -0.07 -0.46 0.02 0.00 -1.01 0.00 0.00 57.07 55.54 1mm4 s TYR 154 Cb -0.11 -2.29 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 1mm4 s TYR 154 CO -0.00 -0.39 0.12 -0.06 -1.11 0.00 0.00 175.55 174.11 1mm4 s PHE 155 N 1.62 3.27 -0.03 2.71 0.40 -1.07 -4.95 117.98 119.92 1mm4 s PHE 155 Ca 0.06 0.12 0.03 0.00 -0.60 0.00 0.00 56.93 56.53 1mm4 s PHE 155 Cb -0.16 -1.65 0.00 0.00 0.51 0.00 0.00 43.02 41.72 1mm4 s PHE 155 CO 0.05 0.54 -0.11 0.00 0.70 0.00 0.00 175.22 176.40 1mm4 s ALA 156 N -1.44 1.02 -0.04 5.36 0.00 -1.26 -2.58 121.76 122.81 1mm4 s ALA 156 Ca 0.31 -0.40 -0.04 0.00 0.00 0.00 0.00 51.96 51.83 1mm4 s ALA 156 Cb -0.12 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.63 1mm4 s ALA 156 CO 0.24 0.16 0.12 -1.58 0.00 0.00 0.00 175.76 174.69 1mm4 s TRP 157 N 0.23 -0.13 0.06 0.00 0.52 -0.91 -4.42 118.94 114.29 1mm4 s TRP 157 Ca -0.05 0.32 -0.06 0.00 0.02 0.00 0.00 56.10 56.34 1mm4 s TRP 157 Cb -0.10 0.04 -0.05 0.00 -1.15 0.00 0.00 33.47 32.21 1mm4 s TRP 157 CO 0.01 -0.06 0.30 1.41 0.02 0.00 0.00 176.95 178.63 1mm4 s MET 158 N 0.05 3.59 0.01 4.98 1.75 -1.07 -1.78 119.30 126.84 1mm4 s MET 158 Ca -0.00 -0.09 -0.00 0.00 -1.25 0.00 0.00 55.69 54.35 1mm4 s MET 158 Cb -0.01 -3.01 -0.01 0.00 2.84 0.00 0.00 34.83 34.64 1mm4 s MET 158 CO 0.00 0.59 -0.01 1.03 -0.65 0.00 0.00 175.02 175.98 1mm4 s ARG 159 N -2.08 0.15 -0.06 4.11 1.81 -0.12 -1.31 118.95 121.45 1mm4 s ARG 159 Ca 0.32 -0.30 -0.01 0.00 -1.72 0.00 0.00 55.73 54.03 1mm4 s ARG 159 Cb -0.13 0.05 0.03 0.00 -0.45 0.00 0.00 34.95 34.45 1mm4 s ARG 159 CO 0.20 -0.02 -0.00 0.12 -0.68 0.00 0.00 175.30 174.91 1mm4 s PHE 160 N -0.72 0.61 -0.28 -0.53 5.36 -0.48 -2.41 117.98 119.52 1mm4 s PHE 160 Ca -0.08 -0.13 -0.11 0.00 -0.96 0.00 0.00 56.93 55.65 1mm4 s PHE 160 Cb -0.05 -0.72 -0.04 0.00 -0.34 0.00 0.00 43.02 41.87 1mm4 s PHE 160 CO -0.00 -0.28 0.18 -1.14 -1.46 0.00 0.00 175.22 172.52 1mm4 s GLN 161 N 1.70 3.84 0.08 10.12 -0.44 -1.26 -0.43 119.66 133.27 1mm4 s GLN 161 Ca 0.01 -0.39 0.04 0.00 -2.50 0.00 0.00 55.36 52.51 1mm4 s GLN 161 Cb -0.13 -3.63 -0.03 0.00 -1.64 0.00 0.00 33.01 27.58 1mm4 s GLN 161 CO -0.04 -0.22 -0.11 0.12 0.50 0.00 0.00 175.29 175.55 1mm4 s PHE 162 N 1.73 1.02 0.05 1.67 2.19 -0.67 -5.04 117.98 118.93 1mm4 s PHE 162 Ca 0.07 -0.56 0.04 0.00 0.33 0.00 0.00 56.93 56.81 1mm4 s PHE 162 Cb -0.16 -0.57 -0.02 0.00 -1.31 0.00 0.00 43.02 40.96 1mm4 s PHE 162 CO 0.10 -0.00 -0.12 -1.17 1.83 0.00 0.00 175.22 175.85 1mm4 s LEU 163 N -2.04 2.21 -0.33 6.12 2.96 -1.26 -2.33 118.68 124.01 1mm4 s LEU 163 Ca -0.00 -0.50 -0.22 0.00 -0.22 0.00 0.00 54.13 53.19 1mm4 s LEU 163 Cb -0.07 -0.46 0.00 0.00 0.50 0.00 0.00 46.19 46.16 1mm4 s LEU 163 CO 0.01 -0.04 0.73 -1.61 -1.32 0.00 0.00 176.35 174.11 1mm4 s GLU 164 N -1.33 3.86 -0.07 1.98 0.41 -1.26 -5.02 118.70 117.27 1mm4 s GLU 164 Ca -0.02 0.38 -0.30 0.00 -0.41 0.00 0.00 54.97 54.62 1mm4 s GLU 164 Cb -0.08 -3.76 -0.04 0.00 -1.78 0.00 0.00 34.13 28.46 1mm4 s GLU 164 CO 0.01 -0.70 1.46 -1.01 -0.49 0.00 0.00 175.26 174.53 1mm4 s HIS 165 N 2.87 2.51 -0.05 1.61 3.76 -1.26 -4.94 115.29 119.79 1mm4 s HIS 165 Ca 0.29 0.62 -0.05 0.00 -0.15 0.00 0.00 55.06 55.77 1mm4 s HIS 165 Cb -0.14 -3.72 -0.03 0.00 1.11 0.00 0.00 32.58 29.80 1mm4 s HIS 165 CO 0.14 -2.79 0.27 1.25 -0.85 0.00 0.00 174.74 172.75 1mm4 h HIS 166 N 8.60 -0.17 -1.06 1.40 2.76 -2.05 -3.49 115.15 121.14 1mm4 h HIS 166 Ca -0.35 -0.00 0.19 0.00 -2.20 0.00 0.00 60.37 58.01 1mm4 h HIS 166 Cb 1.16 0.06 -0.31 0.00 1.55 0.00 0.00 27.41 29.86 1mm4 h HIS 166 CO 0.82 -0.11 0.65 -1.58 -1.30 0.00 0.00 177.93 176.41 1mm4 s HIS 167 N -2.11 -0.18 -0.21 5.26 2.46 -1.26 -5.15 115.29 114.09 1mm4 s HIS 167 Ca -0.03 0.35 -0.06 0.00 0.47 0.00 0.00 55.06 55.80 1mm4 s HIS 167 Cb 0.00 0.11 -0.03 0.00 -0.13 0.00 0.00 32.58 32.53 1mm4 s HIS 167 CO 0.08 -0.09 0.03 -3.38 -2.47 0.00 0.00 174.74 168.91 1mm4 s HIS 168 N 1.24 3.08 -0.06 3.88 -3.43 -1.26 -4.90 115.29 113.83 1mm4 s HIS 168 Ca -0.07 -0.37 0.02 0.00 -0.80 0.00 0.00 55.06 53.84 1mm4 s HIS 168 Cb -0.02 -2.13 0.07 0.00 -1.43 0.00 0.00 32.58 29.07 1mm4 s HIS 168 CO -0.12 -0.22 0.82 1.58 -2.00 0.00 0.00 174.74 174.80 1mm4 n HIS 169 N 4.37 -0.38 0.32 0.38 -0.00 -1.26 -5.31 115.22 113.34 1mm4 n HIS 169 Ca -0.17 -0.56 0.04 0.00 0.46 0.00 0.00 57.72 57.49 1mm4 n HIS 169 Cb 0.52 0.64 0.03 0.00 -0.12 0.00 0.00 29.99 31.06 1mm4 n HIS 169 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38