#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 0.31 7.83 5.03 -1.26 -4.91 115.26 122.26 1mm4 n ASN 2 Ca 0.00 0.00 0.19 0.00 0.87 0.00 0.00 54.58 55.64 1mm4 n ASN 2 Cb 0.00 0.28 1.03 0.00 -1.02 0.00 0.00 39.78 40.07 1mm4 n ASN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1mm4 h ALA 3 N 0.00 1.29 0.11 5.41 0.00 -2.05 0.35 119.26 124.36 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 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mm4 h ALA 3 CO 0.00 -0.13 -0.05 0.22 0.00 0.00 0.00 179.25 179.29 1mm4 h ASP 4 N 0.00 -0.12 0.57 0.00 1.82 -2.00 -2.58 116.42 114.11 1mm4 h ASP 4 Ca 0.02 -0.25 -0.05 0.00 -0.39 0.00 0.00 57.03 56.36 1mm4 h ASP 4 Cb 0.24 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 1mm4 h ASP 4 CO -0.00 0.47 -0.24 -0.33 -1.61 0.00 0.00 179.24 177.52 1mm4 h GLU 5 N -1.00 0.00 -0.01 0.28 3.07 -1.82 -2.76 114.58 112.33 1mm4 h GLU 5 Ca -0.01 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1mm4 h GLU 5 Cb 0.36 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1mm4 h GLU 5 CO 0.02 0.24 -0.02 -1.49 -1.40 0.00 0.00 179.01 176.37 1mm4 h TRP 6 N 0.00 0.04 -0.50 4.33 4.06 -0.41 -3.12 115.95 120.35 1mm4 h TRP 6 Ca -0.00 -0.01 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 1mm4 h TRP 6 Cb 0.59 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.72 1mm4 h TRP 6 CO 0.00 0.53 0.31 1.98 -3.56 0.00 0.00 178.44 177.70 1mm4 h MET 7 N -0.46 0.67 -0.18 0.49 4.05 -1.36 -1.42 114.93 116.73 1mm4 h MET 7 Ca 0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1mm4 h MET 7 Cb 0.52 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1mm4 h MET 7 CO 0.00 0.46 0.11 1.15 0.23 0.00 0.00 176.91 178.86 1mm4 h THR 8 N 0.68 1.05 0.06 -0.77 2.02 -1.46 0.39 112.91 114.88 1mm4 h THR 8 Ca 0.18 -0.10 -0.27 0.00 0.77 0.00 0.00 66.41 66.99 1mm4 h THR 8 Cb -0.04 0.80 0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1mm4 h THR 8 CO -0.04 0.05 -1.11 0.74 0.37 0.00 0.00 175.52 175.53 1mm4 h THR 9 N 0.24 1.34 -0.04 3.16 2.02 -1.21 -2.89 112.91 115.54 1mm4 h THR 9 Ca 0.06 -2.49 -0.22 0.00 0.77 0.00 0.00 66.41 64.53 1mm4 h THR 9 Cb -0.02 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1mm4 h THR 9 CO -0.01 0.75 -0.89 -0.26 0.37 0.00 0.00 175.52 175.48 1mm4 h PHE 10 N 0.26 0.72 -0.52 3.16 0.04 -1.04 -2.26 116.94 117.30 1mm4 h PHE 10 Ca -0.14 -0.37 -0.03 0.00 2.80 0.00 0.00 57.97 60.23 1mm4 h PHE 10 Cb 1.78 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 39.81 1mm4 h PHE 10 CO 0.09 1.18 0.19 0.00 -0.60 0.00 0.00 178.31 179.16 1mm4 h ARG 11 N 0.30 0.78 -0.15 1.51 3.08 -0.33 0.99 114.38 120.56 1mm4 h ARG 11 Ca -0.07 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 59.67 1mm4 h ARG 11 Cb 1.51 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 1mm4 h ARG 11 CO 0.16 0.70 -0.55 0.93 -1.07 0.00 0.00 179.97 180.15 1mm4 h GLU 12 N 0.70 0.46 0.02 0.04 4.39 -1.55 -0.60 114.58 118.03 1mm4 h GLU 12 Ca 0.17 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1mm4 h GLU 12 Cb 0.22 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1mm4 h GLU 12 CO -0.01 0.89 -0.01 -0.97 -1.16 0.00 0.00 179.01 177.75 1mm4 h ASN 13 N 0.35 -0.02 -0.40 1.42 -0.73 -1.16 0.11 115.58 115.15 1mm4 h ASN 13 Ca 0.01 -0.45 -0.10 0.00 1.87 0.00 0.00 56.30 57.63 1mm4 h ASN 13 Cb 1.07 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.65 1mm4 h ASN 13 CO 0.10 0.45 -0.09 -0.29 -0.37 0.00 0.00 177.43 177.22 1mm4 h ILE 14 N -0.49 1.26 -0.02 2.57 6.09 -0.85 -0.94 117.51 125.13 1mm4 h ILE 14 Ca -0.00 -1.18 -0.15 0.00 -1.37 0.00 0.00 64.86 62.16 1mm4 h ILE 14 Cb 0.47 0.99 -0.02 0.00 0.47 0.00 0.00 36.82 38.74 1mm4 h ILE 14 CO 0.00 0.41 -0.68 0.00 -3.07 0.00 0.00 178.15 174.81 1mm4 h ALA 15 N 1.12 0.82 0.28 0.18 0.00 -1.12 -1.57 119.26 118.97 1mm4 h ALA 15 Ca 0.13 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1mm4 h ALA 15 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1mm4 h ALA 15 CO 0.04 0.82 -0.13 0.37 0.00 0.00 0.00 179.25 180.34 1mm4 h GLN 16 N 0.07 -0.36 -0.51 0.00 5.75 -0.53 -0.92 115.11 118.61 1mm4 h GLN 16 Ca -0.01 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1mm4 h GLN 16 Cb 1.21 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.82 1mm4 h GLN 16 CO 0.10 -0.13 0.33 1.15 -2.65 0.00 0.00 178.83 177.62 1mm4 h THR 17 N -1.05 1.14 -0.01 2.39 2.02 -1.28 -1.24 112.91 114.88 1mm4 h THR 17 Ca -0.04 -0.27 -0.15 0.00 0.77 0.00 0.00 66.41 66.72 1mm4 h THR 17 Cb 0.39 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1mm4 h THR 17 CO 0.06 0.14 -0.72 -0.25 0.37 0.00 0.00 175.52 175.12 1mm4 h TRP 18 N 0.70 0.08 0.00 3.16 -0.00 -1.36 -3.38 115.95 115.14 1mm4 h TRP 18 Ca 0.19 -0.04 0.00 0.00 -0.00 0.00 0.00 58.89 59.04 1mm4 h TRP 18 Cb -0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 29.16 29.09 1mm4 h TRP 18 CO 0.00 0.75 0.00 1.04 -0.00 0.00 0.00 178.44 180.23 1mm4 n GLN 19 N -3.71 0.00 -1.94 2.65 6.02 -0.35 -4.71 117.38 115.34 1mm4 n GLN 19 Ca -0.01 0.19 -0.43 0.00 -0.01 0.00 0.00 57.00 56.74 1mm4 n GLN 19 Cb 0.70 -0.81 -0.03 0.00 1.02 0.00 0.00 30.24 31.12 1mm4 n GLN 19 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1mm4 s GLN 20 N -0.71 3.47 0.11 -1.09 1.03 -0.57 -4.93 119.66 116.97 1mm4 s GLN 20 Ca 0.00 1.67 -0.33 0.00 0.04 0.00 0.00 55.36 56.74 1mm4 s GLN 20 Cb 0.00 -4.18 -0.12 0.00 0.03 0.00 0.00 33.01 28.73 1mm4 s GLN 20 CO 0.00 -1.70 1.74 -2.30 -2.54 0.00 0.00 175.29 170.49 1mm4 n PRO 21 N 8.24 2.45 0.09 9.60 -0.02 -1.26 -4.73 135.00 149.37 1mm4 n PRO 21 Ca 0.23 0.89 -0.06 0.00 -2.02 0.00 0.00 63.50 62.54 1mm4 n PRO 21 Cb 0.46 -2.72 0.04 0.00 -0.02 0.00 0.00 33.50 31.26 1mm4 n PRO 21 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1mm4 h GLU 22 N 7.48 0.12 -3.94 -0.52 4.57 -1.92 -3.47 114.58 116.92 1mm4 h GLU 22 Ca -0.46 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 57.50 1mm4 h GLU 22 Cb 1.24 0.03 -0.14 0.00 -0.16 0.00 0.00 28.75 29.72 1mm4 h GLU 22 CO 0.93 0.84 -0.44 -1.58 -1.18 0.00 0.00 179.01 177.58 1mm4 s HIS 23 N -3.34 0.29 -0.19 0.92 2.46 -1.26 -5.02 115.29 109.16 1mm4 s HIS 23 Ca -0.02 -0.74 -0.00 0.00 0.47 0.00 0.00 55.06 54.77 1mm4 s HIS 23 Cb 0.11 -0.15 0.05 0.00 -0.13 0.00 0.00 32.58 32.46 1mm4 s HIS 23 CO 0.80 -0.53 -0.06 -0.47 -2.47 0.00 0.00 174.74 172.01 1mm4 s TYR 24 N -3.90 1.92 0.13 3.88 6.14 -0.67 -4.54 117.35 120.32 1mm4 s TYR 24 Ca 0.08 -1.29 0.10 0.00 0.64 0.00 0.00 57.07 56.61 1mm4 s TYR 24 Cb 0.05 -1.41 -0.04 0.00 0.42 0.00 0.00 41.96 40.99 1mm4 s TYR 24 CO -0.09 -0.67 -0.24 -0.51 0.64 0.00 0.00 175.55 174.69 1mm4 s ASP 25 N 1.56 3.51 -0.02 4.32 1.01 -1.00 -0.41 116.67 125.64 1mm4 s ASP 25 Ca -0.01 -0.70 -0.01 0.00 0.71 0.00 0.00 52.55 52.55 1mm4 s ASP 25 Cb -0.16 -0.33 0.02 0.00 1.01 0.00 0.00 42.92 43.46 1mm4 s ASP 25 CO -0.08 0.18 0.04 -0.76 0.21 0.00 0.00 175.17 174.76 1mm4 s LEU 26 N -2.13 1.43 -0.23 1.23 1.02 -0.92 -2.58 118.68 116.50 1mm4 s LEU 26 Ca 0.16 0.06 -0.04 0.00 0.02 0.00 0.00 54.13 54.33 1mm4 s LEU 26 Cb -0.10 0.03 -0.01 0.00 0.02 0.00 0.00 46.19 46.13 1mm4 s LEU 26 CO 0.08 -0.07 -0.02 -0.31 0.02 0.00 0.00 176.35 176.04 1mm4 s TYR 27 N 0.59 2.99 0.04 0.29 1.51 -0.04 -2.53 117.35 120.21 1mm4 s TYR 27 Ca -0.05 -0.89 0.00 0.00 -1.01 0.00 0.00 57.07 55.13 1mm4 s TYR 27 Cb -0.07 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1mm4 s TYR 27 CO -0.02 -0.53 -0.05 0.96 -1.11 0.00 0.00 175.55 174.81 1mm4 s ILE 28 N 1.49 0.32 1.25 2.71 -4.36 -0.97 -2.06 121.20 119.59 1mm4 s ILE 28 Ca 0.06 -1.33 -0.20 0.00 -0.26 0.00 0.00 60.65 58.91 1mm4 s ILE 28 Cb -0.15 -0.88 0.30 0.00 1.25 0.00 0.00 42.46 42.99 1mm4 s ILE 28 CO -0.02 -0.66 1.09 -2.16 0.24 0.00 0.00 174.94 173.42 1mm4 s PRO 29 N -2.48 -1.59 -0.33 0.37 0.04 -1.26 -1.75 135.00 128.00 1mm4 s PRO 29 Ca -0.05 -0.08 0.03 0.00 0.04 0.00 0.00 61.00 60.95 1mm4 s PRO 29 Cb -0.03 -1.55 0.10 0.00 0.04 0.00 0.00 34.50 33.06 1mm4 s PRO 29 CO -0.04 -3.95 0.06 0.00 0.04 0.00 0.00 177.00 173.11 1mm4 s ALA 30 N -2.90 2.65 -0.26 8.56 0.00 -1.26 -4.64 121.76 123.91 1mm4 s ALA 30 Ca 0.71 -2.38 -0.11 0.00 0.00 0.00 0.00 51.96 50.19 1mm4 s ALA 30 Cb -0.10 -1.90 0.10 0.00 0.00 0.00 0.00 23.12 21.22 1mm4 s ALA 30 CO 0.56 -1.68 0.58 0.96 0.00 0.00 0.00 175.76 176.18 1mm4 s ILE 31 N 1.03 -0.56 -0.19 0.00 -5.25 -1.26 -5.04 121.20 109.93 1mm4 s ILE 31 Ca 0.11 0.05 0.14 0.00 -0.99 0.00 0.00 60.65 59.95 1mm4 s ILE 31 Cb -0.19 -0.88 0.33 0.00 2.95 0.00 0.00 42.46 44.68 1mm4 s ILE 31 CO -0.11 0.02 1.26 1.07 -1.79 0.00 0.00 174.94 175.39 1mm4 n THR 32 N 5.02 0.28 -2.74 8.37 5.66 -1.26 -5.01 114.28 124.60 1mm4 n THR 32 Ca -0.15 -1.18 -0.05 0.00 -3.05 0.00 0.00 64.05 59.63 1mm4 n THR 32 Cb 0.52 0.94 0.02 0.00 -1.55 0.00 0.00 70.33 70.27 1mm4 n THR 32 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1mm4 n TRP 33 N -0.67 -3.20 -0.11 1.09 8.01 -1.26 -4.98 117.44 116.33 1mm4 n TRP 33 Ca -0.12 -1.30 -0.15 0.00 -1.31 0.00 0.00 57.50 54.63 1mm4 n TRP 33 Cb 0.86 1.43 -0.14 0.00 -2.01 0.00 0.00 31.31 31.45 1mm4 n TRP 33 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 1mm4 n HIS 34 N 2.61 0.05 -0.07 -5.99 8.25 -1.26 -4.55 115.22 114.26 1mm4 n HIS 34 Ca 0.15 0.01 -0.04 0.00 -0.26 0.00 0.00 57.72 57.58 1mm4 n HIS 34 Cb 0.59 -1.01 -0.16 0.00 1.12 0.00 0.00 29.99 30.54 1mm4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mm4 n ALA 35 N -3.03 1.85 -2.95 -1.41 0.00 -1.26 -5.00 120.51 108.70 1mm4 n ALA 35 Ca -0.40 -1.08 -0.17 0.00 0.00 0.00 0.00 53.44 51.80 1mm4 n ALA 35 Cb 1.06 -0.38 0.04 0.00 0.00 0.00 0.00 19.45 20.17 1mm4 n ALA 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1mm4 n ARG 36 N -2.64 -4.25 -2.98 0.00 0.00 -1.26 -4.97 116.66 100.56 1mm4 n ARG 36 Ca -0.24 0.65 -0.14 0.00 -0.00 0.00 0.00 57.85 58.12 1mm4 n ARG 36 Cb 0.99 -5.00 -0.02 0.00 0.00 0.00 0.00 32.46 28.43 1mm4 n ARG 36 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1mm4 n PHE 37 N -4.22 -2.48 -1.93 -0.14 3.01 -1.26 -5.11 117.46 105.32 1mm4 n PHE 37 Ca -0.06 -2.27 -0.43 0.00 1.01 0.00 0.00 57.45 55.71 1mm4 n PHE 37 Cb 0.58 0.92 -0.03 0.00 -0.01 0.00 0.00 39.48 40.94 1mm4 n PHE 37 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mm4 s ALA 38 N 0.31 3.36 -0.34 4.37 0.00 -1.26 -4.97 121.76 123.23 1mm4 s ALA 38 Ca 0.32 0.81 -0.14 0.00 0.00 0.00 0.00 51.96 52.95 1mm4 s ALA 38 Cb 0.09 -3.85 -0.01 0.00 0.00 0.00 0.00 23.12 19.35 1mm4 s ALA 38 CO -0.14 -1.83 0.30 1.52 0.00 0.00 0.00 175.76 175.61 1mm4 s TYR 39 N 5.13 3.22 0.70 0.00 -0.85 -1.26 -5.07 117.35 119.23 1mm4 s TYR 39 Ca 0.79 -0.12 -0.14 0.00 -0.52 0.00 0.00 57.07 57.08 1mm4 s TYR 39 Cb -0.32 -2.58 0.02 0.00 0.38 0.00 0.00 41.96 39.47 1mm4 s TYR 39 CO 0.32 -0.40 1.13 -0.51 -1.52 0.00 0.00 175.55 174.57 1mm4 s ASP 40 N 1.73 4.73 -0.02 -0.18 -0.00 -1.26 -5.00 116.67 116.66 1mm4 s ASP 40 Ca 0.09 2.04 -0.05 0.00 -0.00 0.00 0.00 52.55 54.63 1mm4 s ASP 40 Cb -0.17 -2.55 -0.03 0.00 -0.00 0.00 0.00 42.92 40.17 1mm4 s ASP 40 CO 0.11 -1.89 -0.11 0.29 -0.00 0.00 0.00 175.17 173.58 1mm4 n LYS 41 N -2.75 0.17 -2.67 8.23 5.02 -1.26 -5.03 118.16 119.87 1mm4 n LYS 41 Ca 0.11 0.07 -0.04 0.00 -2.02 0.00 0.00 58.31 56.43 1mm4 n LYS 41 Cb 0.52 -0.79 0.05 0.00 -0.02 0.00 0.00 35.03 34.79 1mm4 n LYS 41 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1mm4 n GLU 42 N -3.62 0.11 -2.60 1.97 0.28 -1.26 -4.95 120.64 110.57 1mm4 n GLU 42 Ca -0.09 -0.76 -0.21 0.00 -0.16 0.00 0.00 57.16 55.94 1mm4 n GLU 42 Cb 0.34 -0.01 0.00 0.00 1.43 0.00 0.00 31.44 33.21 1mm4 n GLU 42 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1mm4 n LYS 43 N 2.19 -2.72 -3.73 3.44 4.81 -1.26 -4.97 118.16 115.92 1mm4 n LYS 43 Ca 0.08 0.98 -0.12 0.00 -0.87 0.00 0.00 58.31 58.37 1mm4 n LYS 43 Cb 0.67 -5.71 -0.07 0.00 0.02 0.00 0.00 35.03 29.94 1mm4 n LYS 43 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1mm4 s THR 44 N -3.08 0.07 0.00 3.15 -4.23 -1.26 -5.08 115.64 105.22 1mm4 s THR 44 Ca 0.10 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 1mm4 s THR 44 Cb -0.04 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.88 1mm4 s THR 44 CO 0.12 -0.34 0.00 0.47 -0.54 0.00 0.00 174.62 174.33 1mm4 n ASP 45 N 0.61 1.04 -1.46 3.99 10.43 -1.26 -3.99 116.55 125.90 1mm4 n ASP 45 Ca -0.19 0.00 0.18 0.00 2.57 0.00 0.00 54.79 57.35 1mm4 n ASP 45 Cb 0.59 0.00 -0.09 0.00 1.84 0.00 0.00 41.12 43.46 1mm4 n ASP 45 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1mm4 n ARG 46 N -2.87 -3.32 -3.94 -1.24 1.74 -1.26 -4.85 116.66 100.92 1mm4 n ARG 46 Ca 0.00 2.65 -0.35 0.00 -0.77 0.00 0.00 57.85 59.38 1mm4 n ARG 46 Cb 0.50 -3.90 -0.09 0.00 -1.02 0.00 0.00 32.46 27.95 1mm4 n ARG 46 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1mm4 s TYR 47 N -4.00 3.33 -0.11 -1.55 5.04 -1.26 -5.08 117.35 113.73 1mm4 s TYR 47 Ca 0.00 0.20 -0.27 0.00 -2.44 0.00 0.00 57.07 54.57 1mm4 s TYR 47 Cb 0.00 -2.06 -0.02 0.00 0.35 0.00 0.00 41.96 40.23 1mm4 s TYR 47 CO 0.00 0.28 0.87 -0.80 -1.34 0.00 0.00 175.55 174.56 1mm4 s ASN 48 N 0.11 7.09 -0.06 4.32 -0.87 -1.26 -5.02 114.94 119.25 1mm4 s ASN 48 Ca 0.06 1.33 -0.29 0.00 -1.57 0.00 0.00 52.86 52.40 1mm4 s ASN 48 Cb -0.12 -2.49 -0.02 0.00 -0.02 0.00 0.00 41.25 38.60 1mm4 s ASN 48 CO 0.00 -0.33 0.95 -1.61 -2.57 0.00 0.00 177.10 173.54 1mm4 s GLU 49 N 1.69 4.47 -0.42 -0.60 8.01 -1.26 -5.01 118.70 125.57 1mm4 s GLU 49 Ca 0.43 1.33 0.02 0.00 0.01 0.00 0.00 54.97 56.75 1mm4 s GLU 49 Cb -0.18 -3.50 0.14 0.00 -4.31 0.00 0.00 34.13 26.28 1mm4 s GLU 49 CO 0.17 -0.17 0.24 1.03 0.01 0.00 0.00 175.26 176.54 1mm4 s ARG 50 N 1.49 1.14 -0.45 1.61 1.81 -1.26 -5.09 118.95 118.20 1mm4 s ARG 50 Ca 0.48 -1.89 -0.27 0.00 -1.72 0.00 0.00 55.73 52.33 1mm4 s ARG 50 Cb -0.19 -2.10 -0.02 0.00 -0.45 0.00 0.00 34.95 32.18 1mm4 s ARG 50 CO 0.22 -1.18 1.87 -1.25 -0.68 0.00 0.00 175.30 174.27 1mm4 s PRO 51 N 0.46 2.98 0.00 3.54 0.04 -1.26 -4.64 135.00 136.11 1mm4 s PRO 51 Ca 0.18 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1mm4 s PRO 51 Cb -0.22 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.02 1mm4 s PRO 51 CO -0.01 -2.29 0.00 1.87 0.04 0.00 0.00 177.00 176.61 1mm4 n TRP 52 N 11.63 0.00 -0.38 0.56 -0.00 -1.26 -5.04 117.44 122.94 1mm4 n TRP 52 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.73 1mm4 n TRP 52 Cb 0.49 0.24 0.00 0.00 -0.00 0.00 0.00 31.31 32.05 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 1.95 -1.86 0.00 5.87 0.00 -1.26 -3.21 105.19 106.68 1mm4 n GLY 53 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.40 -2.62 3.22 -0.02 0.00 -1.07 -4.88 105.19 99.43 1mm4 n GLY 54 Ca 0.00 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 0.30 -0.12 -0.02 0.00 -0.87 -0.43 107.32 106.17 1mm4 s GLY 55 Ca 0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 44.72 43.75 1mm4 s GLY 55 CO 0.00 -0.90 0.42 -0.11 0.00 0.00 0.00 173.10 172.51 1mm4 s PHE 56 N -3.91 -0.42 0.00 1.90 -0.71 -1.00 -0.86 117.98 112.98 1mm4 s PHE 56 Ca 0.10 0.97 0.00 0.00 -1.04 0.00 0.00 56.93 56.95 1mm4 s PHE 56 Cb 0.05 0.16 0.00 0.00 -1.21 0.00 0.00 43.02 42.02 1mm4 s PHE 56 CO -0.07 -0.29 0.00 0.41 -1.34 0.00 0.00 175.22 173.93 1mm4 n GLY 57 N 2.38 2.55 3.46 1.99 0.00 -1.07 -2.56 105.19 111.94 1mm4 n GLY 57 Ca -0.15 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 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 1.92 -0.04 0.99 1.02 -0.31 -2.39 118.68 119.88 1mm4 s LEU 58 Ca 0.00 -1.65 -0.04 0.00 0.02 0.00 0.00 54.13 52.46 1mm4 s LEU 58 Cb 0.00 0.01 0.01 0.00 0.02 0.00 0.00 46.19 46.23 1mm4 s LEU 58 CO 0.00 -0.92 0.12 -0.44 0.02 0.00 0.00 176.35 175.13 1mm4 s SER 59 N -3.54 -0.12 0.12 2.29 0.01 -1.26 -2.59 113.70 108.61 1mm4 s SER 59 Ca 0.28 0.23 0.10 0.00 1.31 0.00 0.00 55.95 57.87 1mm4 s SER 59 Cb 0.03 0.25 -0.04 0.00 0.21 0.00 0.00 66.02 66.47 1mm4 s SER 59 CO 0.17 -0.05 -0.25 -0.60 0.41 0.00 0.00 173.24 172.91 1mm4 s ARG 60 N 0.01 1.34 -0.05 12.44 3.52 -1.04 -4.78 118.95 130.40 1mm4 s ARG 60 Ca -0.01 -1.27 0.03 0.00 -0.13 0.00 0.00 55.73 54.35 1mm4 s ARG 60 Cb -0.01 -1.75 -0.03 0.00 -1.56 0.00 0.00 34.95 31.60 1mm4 s ARG 60 CO 0.00 0.42 -0.14 -0.46 -0.81 0.00 0.00 175.30 174.31 1mm4 s TRP 61 N -1.07 2.72 -0.08 5.12 -0.00 -1.26 -0.43 118.94 123.94 1mm4 s TRP 61 Ca 0.12 -0.14 0.00 0.00 -0.00 0.00 0.00 56.10 56.07 1mm4 s TRP 61 Cb -0.10 -1.63 -0.03 0.00 -0.00 0.00 0.00 33.47 31.71 1mm4 s TRP 61 CO 0.05 0.20 -0.07 0.34 -0.00 0.00 0.00 176.95 177.47 1mm4 s ASP 62 N -0.74 4.61 0.67 5.86 -1.08 0.44 -4.95 116.67 121.47 1mm4 s ASP 62 Ca 0.12 -0.06 0.40 0.00 -0.52 0.00 0.00 52.55 52.48 1mm4 s ASP 62 Cb -0.11 -1.27 2.16 0.00 -1.46 0.00 0.00 42.92 42.24 1mm4 s ASP 62 CO 0.01 0.32 2.22 -0.08 0.52 0.00 0.00 175.17 178.16 1mm4 h GLU 63 N 5.55 0.00 -0.90 4.34 4.57 -2.00 -0.25 114.58 125.89 1mm4 h GLU 63 Ca -0.45 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.55 1mm4 h GLU 63 Cb 1.18 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.66 1mm4 h GLU 63 CO 0.54 0.00 0.24 1.63 -1.18 0.00 0.00 179.01 180.24 1mm4 n LYS 64 N -3.04 2.36 -2.70 1.92 5.02 -1.26 -4.87 118.16 115.60 1mm4 n LYS 64 Ca -0.03 -1.82 -0.10 0.00 -2.02 0.00 0.00 58.31 54.35 1mm4 n LYS 64 Cb 0.18 -1.80 0.05 0.00 -0.02 0.00 0.00 35.03 33.43 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 -0.14 -0.27 3.21 0.72 0.00 -0.13 -5.06 105.19 103.52 1mm4 n GLY 65 Ca 0.28 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.46 1.64 -0.28 1.61 3.84 -1.08 -4.75 114.94 112.46 1mm4 s ASN 66 Ca 0.18 -0.85 -0.04 0.00 0.21 0.00 0.00 52.86 52.36 1mm4 s ASN 66 Cb -0.02 -0.01 0.10 0.00 -0.55 0.00 0.00 41.25 40.76 1mm4 s ASN 66 CO 0.46 -0.25 0.13 0.86 -2.79 0.00 0.00 177.10 175.51 1mm4 s TRP 67 N -2.57 0.30 0.04 0.43 -0.00 -0.56 -0.42 118.94 116.17 1mm4 s TRP 67 Ca 0.09 -0.84 -0.31 0.00 -0.00 0.00 0.00 56.10 55.04 1mm4 s TRP 67 Cb -0.02 -0.88 -0.07 0.00 -0.00 0.00 0.00 33.47 32.50 1mm4 s TRP 67 CO 0.01 -0.81 1.48 -1.01 -0.00 0.00 0.00 176.95 176.61 1mm4 s HIS 68 N 2.11 2.79 -0.36 5.86 3.76 0.43 -1.07 115.29 128.81 1mm4 s HIS 68 Ca 0.09 0.68 -0.09 0.00 -0.15 0.00 0.00 55.06 55.59 1mm4 s HIS 68 Cb -0.16 -3.77 0.03 0.00 1.11 0.00 0.00 32.58 29.80 1mm4 s HIS 68 CO -0.35 -2.90 0.17 0.20 -0.85 0.00 0.00 174.74 171.01 1mm4 s GLY 69 N 1.90 1.90 -0.15 -2.22 0.00 0.26 -2.48 107.32 106.53 1mm4 s GLY 69 Ca 0.67 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1mm4 s GLY 69 CO 0.29 0.82 -0.15 1.08 0.00 0.00 0.00 173.10 175.14 1mm4 s LEU 70 N 1.49 1.75 0.10 0.66 1.02 -1.07 -0.40 118.68 122.24 1mm4 s LEU 70 Ca 0.01 -0.52 -0.16 0.00 0.02 0.00 0.00 54.13 53.48 1mm4 s LEU 70 Cb -0.19 -1.22 0.03 0.00 0.02 0.00 0.00 46.19 44.83 1mm4 s LEU 70 CO 0.05 -0.05 0.39 -0.72 0.02 0.00 0.00 176.35 176.04 1mm4 s TYR 71 N 1.46 -0.19 -0.18 0.29 -0.85 -1.07 -1.16 117.35 115.66 1mm4 s TYR 71 Ca 0.05 -0.06 -0.05 0.00 -0.52 0.00 0.00 57.07 56.49 1mm4 s TYR 71 Cb -0.13 0.22 0.07 0.00 0.38 0.00 0.00 41.96 42.50 1mm4 s TYR 71 CO -0.11 -0.65 0.11 0.00 -1.52 0.00 0.00 175.55 173.38 1mm4 s ALA 72 N -3.45 0.30 0.53 9.51 0.00 -1.06 -1.61 121.76 125.98 1mm4 s ALA 72 Ca 0.01 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.77 1mm4 s ALA 72 Cb 0.01 -1.09 0.03 0.00 0.00 0.00 0.00 23.12 22.07 1mm4 s ALA 72 CO -0.09 -1.18 0.75 -1.64 0.00 0.00 0.00 175.76 173.59 1mm4 s MET 73 N 2.17 2.64 -0.24 0.00 -1.94 0.20 -2.37 119.30 119.77 1mm4 s MET 73 Ca 0.03 -0.74 -0.20 0.00 -1.71 0.00 0.00 55.69 53.07 1mm4 s MET 73 Cb -0.16 -2.51 0.06 0.00 2.01 0.00 0.00 34.83 34.24 1mm4 s MET 73 CO -0.10 -0.62 0.62 0.00 -0.01 0.00 0.00 175.02 174.91 1mm4 s ALA 74 N -2.71 -1.55 -0.38 3.03 0.00 0.43 -0.40 121.76 120.16 1mm4 s ALA 74 Ca 0.56 1.83 -0.08 0.00 0.00 0.00 0.00 51.96 54.27 1mm4 s ALA 74 Cb -0.10 -1.07 0.06 0.00 0.00 0.00 0.00 23.12 22.01 1mm4 s ALA 74 CO 0.38 -0.30 0.19 -0.06 0.00 0.00 0.00 175.76 175.97 1mm4 s PHE 75 N 0.57 3.31 -0.57 0.00 0.40 -1.07 -2.60 117.98 118.02 1mm4 s PHE 75 Ca -0.02 -1.49 -0.11 0.00 -0.60 0.00 0.00 56.93 54.71 1mm4 s PHE 75 Cb -0.05 -2.66 0.14 0.00 0.51 0.00 0.00 43.02 40.96 1mm4 s PHE 75 CO -0.03 -0.79 0.46 0.21 0.70 0.00 0.00 175.22 175.78 1mm4 s LYS 76 N 1.41 2.79 0.04 0.44 2.36 -1.20 -2.57 119.74 123.02 1mm4 s LYS 76 Ca 0.01 -1.98 0.03 0.00 -2.55 0.00 0.00 55.97 51.49 1mm4 s LYS 76 Cb -0.21 -4.07 -0.04 0.00 -1.05 0.00 0.00 37.83 32.46 1mm4 s LYS 76 CO 0.02 -1.24 -0.01 -0.51 1.55 0.00 0.00 175.35 175.17 1mm4 s ASP 77 N 2.52 5.03 -0.08 1.43 1.01 -1.14 -4.73 116.67 120.70 1mm4 s ASP 77 Ca 0.09 -0.11 0.14 0.00 0.71 0.00 0.00 52.55 53.38 1mm4 s ASP 77 Cb -0.23 -1.24 -0.24 0.00 1.01 0.00 0.00 42.92 42.22 1mm4 s ASP 77 CO -0.02 0.23 0.51 -1.20 0.21 0.00 0.00 175.17 174.90 1mm4 n SER 78 N 1.00 0.68 -1.89 0.27 7.64 -1.26 -3.74 113.62 116.32 1mm4 n SER 78 Ca -0.13 0.31 -0.22 0.00 1.01 0.00 0.00 58.87 59.85 1mm4 n SER 78 Cb 0.52 0.18 0.10 0.00 -1.01 0.00 0.00 64.21 64.01 1mm4 n SER 78 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1mm4 n TRP 79 N -2.98 2.45 0.00 1.43 -0.00 -1.26 -4.82 117.44 112.26 1mm4 n TRP 79 Ca -0.21 -2.28 0.00 0.00 -0.00 0.00 0.00 57.50 55.01 1mm4 n TRP 79 Cb 1.08 -0.78 0.00 0.00 -0.00 0.00 0.00 31.31 31.60 1mm4 n TRP 79 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1mm4 n ASN 80 N -0.93 0.00 0.00 5.87 3.02 -1.26 -5.19 115.26 116.77 1mm4 n ASN 80 Ca 0.48 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 1mm4 n ASN 80 Cb 0.95 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.12 1mm4 n ASN 80 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1mm4 n LYS 81 N -0.66 0.00 -4.10 3.52 4.81 -1.25 -5.04 118.16 115.45 1mm4 n LYS 81 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 1mm4 n LYS 81 Cb 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 34.90 1mm4 n LYS 81 CO 0.00 0.00 0.00 1.67 1.17 0.00 0.00 177.40 180.24 1mm4 s TRP 82 N -2.00 2.87 -0.06 5.64 -2.14 -1.26 -2.90 118.94 119.09 1mm4 s TRP 82 Ca 0.00 -1.15 -0.02 0.00 2.66 0.00 0.00 56.10 57.59 1mm4 s TRP 82 Cb 0.00 -2.01 0.04 0.00 -3.10 0.00 0.00 33.47 28.40 1mm4 s TRP 82 CO 0.00 -0.60 0.12 -1.21 -2.66 0.00 0.00 176.95 172.61 1mm4 s GLU 83 N 1.27 0.03 0.68 3.25 0.41 -1.06 -5.03 118.70 118.24 1mm4 s GLU 83 Ca 0.03 0.41 -0.09 0.00 -0.41 0.00 0.00 54.97 54.92 1mm4 s GLU 83 Cb -0.14 -0.27 0.03 0.00 -1.78 0.00 0.00 34.13 31.96 1mm4 s GLU 83 CO -0.05 -0.24 1.03 -1.25 -0.49 0.00 0.00 175.26 174.26 1mm4 s PRO 84 N 1.70 2.68 -0.22 0.39 0.04 -1.26 -2.61 135.00 135.73 1mm4 s PRO 84 Ca -0.03 0.17 -0.20 0.00 0.04 0.00 0.00 61.00 60.98 1mm4 s PRO 84 Cb -0.12 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.36 1mm4 s PRO 84 CO -0.05 -1.02 0.58 0.96 0.04 0.00 0.00 177.00 177.51 1mm4 s ILE 85 N -3.25 0.00 0.00 0.56 -4.36 0.46 -4.59 121.20 110.02 1mm4 s ILE 85 Ca 0.57 -0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.97 1mm4 s ILE 85 Cb -0.11 -0.81 -0.00 0.00 1.25 0.00 0.00 42.46 42.79 1mm4 s ILE 85 CO 0.48 -0.00 -0.03 0.00 0.24 0.00 0.00 174.94 175.63 1mm4 s ALA 86 N 0.29 0.23 0.17 2.27 0.00 -1.07 -0.63 121.76 123.03 1mm4 s ALA 86 Ca -0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 1mm4 s ALA 86 Cb -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 1mm4 s ALA 86 CO 0.01 0.04 0.34 0.20 0.00 0.00 0.00 175.76 176.35 1mm4 s GLY 87 N -0.18 0.37 0.03 0.00 0.00 -0.64 -0.41 107.32 106.49 1mm4 s GLY 87 Ca -0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 44.72 43.90 1mm4 s GLY 87 CO -0.00 -0.71 0.12 -0.19 0.00 0.00 0.00 173.10 172.31 1mm4 s TYR 88 N -3.95 0.13 0.00 1.90 2.02 0.40 -2.60 117.35 115.26 1mm4 s TYR 88 Ca 0.16 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 1mm4 s TYR 88 Cb 0.02 -0.10 0.00 0.00 -0.40 0.00 0.00 41.96 41.48 1mm4 s TYR 88 CO -0.00 -0.34 0.00 0.41 -1.57 0.00 0.00 175.55 174.05 1mm4 n GLY 89 N 1.02 2.35 3.06 0.71 0.00 0.47 -1.97 105.19 110.83 1mm4 n GLY 89 Ca -0.20 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.29 0.12 -0.03 1.61 0.51 -1.01 -0.57 118.94 116.28 1mm4 s TRP 90 Ca 0.00 -0.29 -0.08 0.00 -2.12 0.00 0.00 56.10 53.61 1mm4 s TRP 90 Cb 0.00 -0.10 0.01 0.00 -0.81 0.00 0.00 33.47 32.57 1mm4 s TRP 90 CO 0.00 -0.25 0.19 -1.21 -0.51 0.00 0.00 176.95 175.17 1mm4 s GLU 91 N -1.42 0.41 -0.25 4.98 2.02 -0.23 -2.29 118.70 121.92 1mm4 s GLU 91 Ca -0.15 -0.07 -0.07 0.00 0.02 0.00 0.00 54.97 54.70 1mm4 s GLU 91 Cb -0.09 0.18 -0.02 0.00 0.10 0.00 0.00 34.13 34.30 1mm4 s GLU 91 CO 0.01 -0.09 0.05 -1.54 0.02 0.00 0.00 175.26 173.71 1mm4 s SER 92 N -0.74 4.99 -0.07 -0.19 1.04 -0.61 -1.49 113.70 116.62 1mm4 s SER 92 Ca -0.08 -0.30 -0.08 0.00 0.48 0.00 0.00 55.95 55.97 1mm4 s SER 92 Cb -0.05 -1.89 -0.04 0.00 0.10 0.00 0.00 66.02 64.14 1mm4 s SER 92 CO 0.01 -0.05 0.20 0.42 0.98 0.00 0.00 173.24 174.81 1mm4 s THR 93 N 1.58 5.40 -0.09 2.02 -4.23 -1.26 -1.76 115.64 117.29 1mm4 s THR 93 Ca 0.06 0.27 -0.17 0.00 -1.18 0.00 0.00 61.69 60.67 1mm4 s THR 93 Cb -0.15 -3.48 0.04 0.00 1.34 0.00 0.00 72.50 70.24 1mm4 s THR 93 CO 0.02 0.55 0.41 -1.66 -0.54 0.00 0.00 174.62 173.41 1mm4 s TRP 94 N -1.10 -0.39 -0.07 3.99 1.48 0.38 -4.94 118.94 118.30 1mm4 s TRP 94 Ca 0.19 0.83 -0.05 0.00 -1.06 0.00 0.00 56.10 56.01 1mm4 s TRP 94 Cb -0.13 0.17 -0.04 0.00 -1.16 0.00 0.00 33.47 32.31 1mm4 s TRP 94 CO 0.08 -0.33 0.15 1.03 -4.06 0.00 0.00 176.95 173.82 1mm4 s ARG 95 N -0.50 3.40 0.00 3.25 3.00 -1.26 -2.20 118.95 124.64 1mm4 s ARG 95 Ca -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 55.73 55.43 1mm4 s ARG 95 Cb -0.03 -3.12 0.00 0.00 0.00 0.00 0.00 34.95 31.79 1mm4 s ARG 95 CO 0.03 0.73 0.00 -2.30 0.00 0.00 0.00 175.30 173.76 1mm4 n PRO 96 N 1.54 -0.01 -0.94 3.54 -0.02 -1.26 -4.92 135.00 132.92 1mm4 n PRO 96 Ca -0.16 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.24 1mm4 n PRO 96 Cb 0.54 0.00 0.18 0.00 -0.02 0.00 0.00 33.50 34.20 1mm4 n PRO 96 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1mm4 n LEU 97 N 0.00 4.45 0.14 2.45 0.00 -1.26 -4.70 117.00 118.09 1mm4 n LEU 97 Ca 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 56.01 52.13 1mm4 n LEU 97 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 43.42 42.78 1mm4 n LEU 97 CO 0.00 1.33 -0.00 0.00 0.00 0.00 0.00 177.39 178.72 1mm4 n ALA 98 N -1.10 3.00 -2.85 1.96 0.00 -1.26 -5.09 120.51 115.18 1mm4 n ALA 98 Ca 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 1mm4 n ALA 98 Cb 1.05 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.40 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 -5.01 5.48 -0.58 0.00 -1.08 -1.26 -4.99 116.67 109.22 1mm4 s ASP 99 Ca 0.00 0.04 0.00 0.00 -0.52 0.00 0.00 52.55 52.07 1mm4 s ASP 99 Cb 0.00 -1.93 0.52 0.00 -1.46 0.00 0.00 42.92 40.05 1mm4 s ASP 99 CO 0.00 0.17 1.97 -1.84 0.52 0.00 0.00 175.17 175.98 1mm4 n GLU 100 N 3.58 2.55 0.00 4.34 0.28 -1.26 -4.18 120.64 125.96 1mm4 n GLU 100 Ca -0.17 -3.22 0.00 0.00 -0.16 0.00 0.00 57.16 53.61 1mm4 n GLU 100 Cb 0.52 -2.24 0.00 0.00 1.43 0.00 0.00 31.44 31.15 1mm4 n GLU 100 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1mm4 n ASN 101 N -0.99 0.99 -4.73 -1.84 3.02 -1.26 -5.05 115.26 105.39 1mm4 n ASN 101 Ca 0.61 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.74 1mm4 n ASN 101 Cb 1.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.14 1mm4 n ASN 101 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1mm4 s PHE 102 N -1.85 3.20 -0.14 3.10 0.40 -1.26 -4.72 117.98 116.70 1mm4 s PHE 102 Ca 0.00 1.02 -0.10 0.00 -0.60 0.00 0.00 56.93 57.26 1mm4 s PHE 102 Cb 0.00 -3.70 -0.05 0.00 0.51 0.00 0.00 43.02 39.78 1mm4 s PHE 102 CO 0.00 -2.36 0.19 -1.01 0.70 0.00 0.00 175.22 172.75 1mm4 s HIS 103 N 0.59 3.54 -0.11 0.36 3.76 -0.93 -4.57 115.29 117.93 1mm4 s HIS 103 Ca 0.62 0.54 -0.04 0.00 -0.15 0.00 0.00 55.06 56.02 1mm4 s HIS 103 Cb -0.38 -2.11 0.06 0.00 1.11 0.00 0.00 32.58 31.26 1mm4 s HIS 103 CO 0.35 0.52 0.22 -0.51 -0.85 0.00 0.00 174.74 174.47 1mm4 s LEU 104 N -0.40 -0.20 0.31 0.89 1.43 -0.93 -2.57 118.68 117.21 1mm4 s LEU 104 Ca 0.14 0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 53.58 1mm4 s LEU 104 Cb -0.12 0.50 0.01 0.00 0.03 0.00 0.00 46.19 46.61 1mm4 s LEU 104 CO 0.03 -0.25 0.55 -0.83 0.23 0.00 0.00 176.35 176.09 1mm4 s GLY 105 N 2.36 0.79 0.05 -3.19 0.00 -0.71 -0.47 107.32 106.16 1mm4 s GLY 105 Ca 0.02 -1.04 -0.07 0.00 0.00 0.00 0.00 44.72 43.64 1mm4 s GLY 105 CO -0.07 -0.66 0.13 1.08 0.00 0.00 0.00 173.10 173.57 1mm4 s LEU 106 N -3.10 1.67 0.00 0.66 1.43 -0.72 -2.37 118.68 116.25 1mm4 s LEU 106 Ca 0.23 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1mm4 s LEU 106 Cb -0.02 0.75 0.00 0.00 0.03 0.00 0.00 46.19 46.95 1mm4 s LEU 106 CO 0.13 -0.57 0.00 0.61 0.23 0.00 0.00 176.35 176.75 1mm4 n GLY 107 N 0.53 0.80 3.04 -3.19 0.00 -0.64 -1.58 105.19 104.15 1mm4 n GLY 107 Ca -0.18 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.17 0.64 -0.03 1.61 0.08 -0.97 -1.82 117.98 115.33 1mm4 s PHE 108 Ca 0.00 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.71 1mm4 s PHE 108 Cb 0.00 -0.39 -0.01 0.00 -0.57 0.00 0.00 43.02 42.05 1mm4 s PHE 108 CO 0.00 -0.06 -0.18 0.95 -0.10 0.00 0.00 175.22 175.84 1mm4 s THR 109 N -1.04 1.42 -0.15 0.64 -4.23 -1.07 -2.41 115.64 108.80 1mm4 s THR 109 Ca -0.06 -0.74 -0.03 0.00 -1.18 0.00 0.00 61.69 59.67 1mm4 s THR 109 Cb -0.08 -1.20 -0.02 0.00 1.34 0.00 0.00 72.50 72.54 1mm4 s THR 109 CO 0.00 0.41 -0.06 0.00 -0.54 0.00 0.00 174.62 174.43 1mm4 s ALA 110 N -0.22 2.91 -0.05 3.99 0.00 -0.83 -1.74 121.76 125.81 1mm4 s ALA 110 Ca 0.02 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1mm4 s ALA 110 Cb -0.09 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 1mm4 s ALA 110 CO 0.01 0.23 -0.07 0.20 0.00 0.00 0.00 175.76 176.12 1mm4 s GLY 111 N 0.35 1.70 -0.15 0.00 0.00 0.46 -0.45 107.32 109.23 1mm4 s GLY 111 Ca -0.06 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.76 1mm4 s GLY 111 CO 0.04 -0.71 -0.20 0.14 0.00 0.00 0.00 173.10 172.37 1mm4 s VAL 112 N -0.84 2.25 -0.09 1.40 1.01 0.46 -0.42 120.40 124.16 1mm4 s VAL 112 Ca 0.13 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1mm4 s VAL 112 Cb -0.11 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1mm4 s VAL 112 CO 0.03 0.54 -0.15 -0.89 0.00 0.00 0.00 175.10 174.62 1mm4 s THR 113 N 0.88 2.90 0.11 3.92 2.01 -1.07 -2.60 115.64 121.79 1mm4 s THR 113 Ca -0.05 -0.75 -0.10 0.00 0.31 0.00 0.00 61.69 61.10 1mm4 s THR 113 Cb -0.15 -2.16 -0.06 0.00 0.01 0.00 0.00 72.50 70.14 1mm4 s THR 113 CO -0.03 0.56 0.44 0.00 -0.69 0.00 0.00 174.62 174.90 1mm4 s ALA 114 N -0.17 3.69 -0.02 7.40 0.00 -1.26 -0.63 121.76 130.77 1mm4 s ALA 114 Ca -0.01 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1mm4 s ALA 114 Cb -0.13 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.67 1mm4 s ALA 114 CO 0.03 0.55 -0.06 -0.98 0.00 0.00 0.00 175.76 175.31 1mm4 s ARG 115 N -2.04 0.64 0.41 0.00 1.70 -1.26 -5.02 118.95 113.38 1mm4 s ARG 115 Ca 0.35 -0.18 0.00 0.00 -0.47 0.00 0.00 55.73 55.44 1mm4 s ARG 115 Cb -0.14 -0.64 0.00 0.00 -0.57 0.00 0.00 34.95 33.61 1mm4 s ARG 115 CO 0.19 0.05 0.00 -0.25 -1.08 0.00 0.00 175.30 174.21 1mm4 n ASP 116 N 3.36 -8.70 -0.05 -2.89 10.43 -1.26 -4.40 116.55 113.03 1mm4 n ASP 116 Ca -0.18 0.80 -0.07 0.00 2.57 0.00 0.00 54.79 57.91 1mm4 n ASP 116 Cb 0.55 -4.55 -0.06 0.00 1.84 0.00 0.00 41.12 38.90 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 -4.30 3.06 0.02 -2.24 4.13 -1.26 -4.63 115.26 110.04 1mm4 n ASN 117 Ca -0.01 -0.05 -0.09 0.00 1.68 0.00 0.00 54.58 56.11 1mm4 n ASN 117 Cb 0.67 0.01 0.05 0.00 -1.54 0.00 0.00 39.78 38.98 1mm4 n ASN 117 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 1mm4 h TRP 118 N 0.00 0.63 -3.37 3.10 4.06 -2.07 -3.39 115.95 114.90 1mm4 h TRP 118 Ca -0.25 -0.24 -0.71 0.00 2.06 0.00 0.00 58.89 59.75 1mm4 h TRP 118 Cb 1.42 -0.11 -0.31 0.00 -1.00 0.00 0.00 29.16 29.16 1mm4 h TRP 118 CO 0.01 0.97 -0.45 1.21 -3.56 0.00 0.00 178.44 176.62 1mm4 s ASN 119 N -6.94 5.53 -1.07 -3.49 3.84 -1.26 -5.03 114.94 106.53 1mm4 s ASN 119 Ca -0.07 -1.95 -0.18 0.00 0.21 0.00 0.00 52.86 50.87 1mm4 s ASN 119 Cb 0.11 -1.94 0.11 0.00 -0.55 0.00 0.00 41.25 38.98 1mm4 s ASN 119 CO 0.84 -0.63 1.37 -0.31 -2.79 0.00 0.00 177.10 175.57 1mm4 s TYR 120 N 1.28 3.02 -0.30 0.43 2.02 -1.26 -4.49 117.35 118.04 1mm4 s TYR 120 Ca 0.07 -1.47 0.03 0.00 -0.37 0.00 0.00 57.07 55.33 1mm4 s TYR 120 Cb -0.25 -4.46 0.08 0.00 -0.40 0.00 0.00 41.96 36.93 1mm4 s TYR 120 CO -0.02 -1.62 -0.03 0.42 -1.57 0.00 0.00 175.55 172.73 1mm4 s ILE 121 N 3.21 2.28 0.41 2.71 -1.09 -1.26 -5.05 121.20 122.40 1mm4 s ILE 121 Ca 0.41 -1.95 -0.26 0.00 -2.23 0.00 0.00 60.65 56.63 1mm4 s ILE 121 Cb -0.02 -2.50 -0.08 0.00 -1.58 0.00 0.00 42.46 38.27 1mm4 s ILE 121 CO -0.05 -0.30 1.25 -2.16 -1.23 0.00 0.00 174.94 172.45 1mm4 s PRO 122 N 1.02 3.98 -0.81 2.79 0.04 -1.26 -4.14 135.00 136.62 1mm4 s PRO 122 Ca 0.00 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 1mm4 s PRO 122 Cb -0.20 -2.71 0.21 0.00 0.04 0.00 0.00 34.50 31.84 1mm4 s PRO 122 CO -0.06 -0.44 0.69 -1.17 0.04 0.00 0.00 177.00 176.07 1mm4 s LEU 123 N -2.48 5.79 0.05 -3.56 0.20 0.20 -4.84 118.68 114.04 1mm4 s LEU 123 Ca 0.57 -3.18 -0.31 0.00 0.69 0.00 0.00 54.13 51.91 1mm4 s LEU 123 Cb -0.35 -1.99 -0.06 0.00 -0.43 0.00 0.00 46.19 43.36 1mm4 s LEU 123 CO 0.44 -0.35 1.25 -2.16 -0.29 0.00 0.00 176.35 175.25 1mm4 s PRO 124 N -0.56 4.39 -0.06 0.98 0.04 -1.24 -2.59 135.00 135.97 1mm4 s PRO 124 Ca 0.22 1.83 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 1mm4 s PRO 124 Cb -0.13 -3.38 0.04 0.00 0.04 0.00 0.00 34.50 31.07 1mm4 s PRO 124 CO -0.08 -0.34 0.10 0.14 0.04 0.00 0.00 177.00 176.86 1mm4 s VAL 125 N 1.33 -0.17 -0.04 -0.36 -7.23 0.44 -4.92 120.40 109.46 1mm4 s VAL 125 Ca 0.60 0.38 -0.10 0.00 -1.81 0.00 0.00 61.98 61.04 1mm4 s VAL 125 Cb -0.30 -0.21 -0.05 0.00 0.56 0.00 0.00 36.38 36.38 1mm4 s VAL 125 CO 0.28 0.16 0.28 -1.48 -0.31 0.00 0.00 175.10 174.03 1mm4 s LEU 126 N 2.12 4.42 -0.11 1.32 0.05 -1.26 -0.40 118.68 124.81 1mm4 s LEU 126 Ca 0.03 0.70 -0.08 0.00 0.05 0.00 0.00 54.13 54.83 1mm4 s LEU 126 Cb -0.12 -2.41 0.04 0.00 -2.05 0.00 0.00 46.19 41.65 1mm4 s LEU 126 CO -0.04 0.34 0.29 -0.76 -0.55 0.00 0.00 176.35 175.63 1mm4 s LEU 127 N -1.19 0.65 0.37 1.48 1.43 -0.71 -4.99 118.68 115.72 1mm4 s LEU 127 Ca 0.21 0.59 -0.28 0.00 -1.03 0.00 0.00 54.13 53.62 1mm4 s LEU 127 Cb -0.14 0.95 -0.11 0.00 0.03 0.00 0.00 46.19 46.92 1mm4 s LEU 127 CO 0.10 -0.13 1.49 -2.84 0.23 0.00 0.00 176.35 175.20 1mm4 s PRO 128 N 0.61 4.12 0.12 1.29 0.02 -1.25 -2.59 135.00 137.33 1mm4 s PRO 128 Ca -0.04 2.55 -0.12 0.00 0.02 0.00 0.00 61.00 63.42 1mm4 s PRO 128 Cb -0.05 -2.98 0.01 0.00 0.02 0.00 0.00 34.50 31.50 1mm4 s PRO 128 CO -0.04 -0.52 0.30 -0.51 -0.33 0.00 0.00 177.00 175.90 1mm4 s LEU 129 N -1.93 0.90 -0.01 -5.54 1.02 -0.75 -2.02 118.68 110.34 1mm4 s LEU 129 Ca 0.53 -0.57 -0.05 0.00 0.02 0.00 0.00 54.13 54.06 1mm4 s LEU 129 Cb -0.46 1.41 -0.00 0.00 0.02 0.00 0.00 46.19 47.16 1mm4 s LEU 129 CO 0.61 -0.83 0.09 0.00 0.02 0.00 0.00 176.35 176.24 1mm4 s ALA 130 N -3.86 -0.20 -0.24 4.21 0.00 0.37 -1.62 121.76 120.41 1mm4 s ALA 130 Ca 0.07 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1mm4 s ALA 130 Cb 0.03 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.23 1mm4 s ALA 130 CO -0.09 -0.15 -0.11 0.45 0.00 0.00 0.00 175.76 175.86 1mm4 s SER 131 N -0.99 4.10 -0.08 0.00 0.15 -1.00 -0.94 113.70 114.93 1mm4 s SER 131 Ca -0.11 -1.02 -0.03 0.00 0.70 0.00 0.00 55.95 55.49 1mm4 s SER 131 Cb -0.06 -1.58 0.05 0.00 -1.71 0.00 0.00 66.02 62.71 1mm4 s SER 131 CO 0.01 -0.12 0.17 0.54 1.20 0.00 0.00 173.24 175.03 1mm4 s VAL 132 N 1.24 -0.19 0.00 4.45 0.11 0.41 -1.73 120.40 124.68 1mm4 s VAL 132 Ca -0.02 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 1mm4 s VAL 132 Cb -0.17 -0.30 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 1mm4 s VAL 132 CO -0.07 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.43 1mm4 n GLY 133 N 4.88 1.29 3.05 6.54 0.00 -1.06 -0.43 105.19 119.45 1mm4 n GLY 133 Ca -0.14 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 1mm4 n GLY 133 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mm4 s TYR 134 N -3.10 -0.15 0.00 1.61 6.14 -0.28 -2.18 117.35 119.39 1mm4 s TYR 134 Ca 0.00 0.36 0.00 0.00 0.64 0.00 0.00 57.07 58.07 1mm4 s TYR 134 Cb 0.00 0.05 0.00 0.00 0.42 0.00 0.00 41.96 42.43 1mm4 s TYR 134 CO 0.00 -0.12 0.00 0.41 0.64 0.00 0.00 175.55 176.48 1mm4 n GLY 135 N 2.76 2.32 0.27 8.97 0.00 -1.26 -2.12 105.19 116.13 1mm4 n GLY 135 Ca -0.14 -0.42 0.16 0.00 0.00 0.00 0.00 46.02 45.62 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 -6.05 1.61 0.13 -1.97 -3.43 132.00 122.29 1mm4 h PRO 136 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 1mm4 h PRO 136 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1mm4 h PRO 136 CO 0.00 0.07 0.17 0.08 -0.23 0.00 0.00 178.00 178.09 1mm4 s VAL 137 N -3.85 5.00 -0.06 1.56 1.01 -0.90 -2.80 120.40 120.36 1mm4 s VAL 137 Ca -0.01 1.53 0.01 0.00 0.00 0.00 0.00 61.98 63.51 1mm4 s VAL 137 Cb 0.11 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.42 1mm4 s VAL 137 CO 0.55 0.20 -0.06 -0.89 0.00 0.00 0.00 175.10 174.90 1mm4 s THR 138 N 1.09 0.70 -0.20 3.92 2.01 -0.88 -1.12 115.64 121.16 1mm4 s THR 138 Ca 0.39 -0.17 -0.17 0.00 0.31 0.00 0.00 61.69 62.05 1mm4 s THR 138 Cb -0.18 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 1mm4 s THR 138 CO 0.18 0.28 0.46 0.12 -0.69 0.00 0.00 174.62 174.97 1mm4 s PHE 139 N 1.20 3.38 -0.23 4.92 5.36 0.43 -1.35 117.98 131.68 1mm4 s PHE 139 Ca -0.06 0.70 -0.06 0.00 -0.96 0.00 0.00 56.93 56.55 1mm4 s PHE 139 Cb -0.14 -2.59 -0.02 0.00 -0.34 0.00 0.00 43.02 39.93 1mm4 s PHE 139 CO -0.02 -0.04 0.02 -0.65 -1.46 0.00 0.00 175.22 173.07 1mm4 s GLN 140 N 1.42 3.56 0.05 10.12 -1.52 -0.62 -0.45 119.66 132.22 1mm4 s GLN 140 Ca 0.22 -0.54 0.03 0.00 -1.95 0.00 0.00 55.36 53.12 1mm4 s GLN 140 Cb -0.15 -3.16 -0.04 0.00 -0.22 0.00 0.00 33.01 29.44 1mm4 s GLN 140 CO 0.09 -0.14 0.02 -1.64 -0.25 0.00 0.00 175.29 173.37 1mm4 s MET 141 N 1.43 2.74 -0.02 2.91 -1.94 -0.12 -0.72 119.30 123.58 1mm4 s MET 141 Ca 0.05 -0.70 0.04 0.00 -1.71 0.00 0.00 55.69 53.37 1mm4 s MET 141 Cb -0.15 -2.65 -0.00 0.00 2.01 0.00 0.00 34.83 34.04 1mm4 s MET 141 CO 0.01 0.58 -0.12 0.99 -0.01 0.00 0.00 175.02 176.47 1mm4 s THR 142 N -1.24 1.02 0.11 2.05 2.01 -0.45 -0.48 115.64 118.67 1mm4 s THR 142 Ca 0.24 -0.52 0.10 0.00 0.31 0.00 0.00 61.69 61.82 1mm4 s THR 142 Cb -0.12 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1mm4 s THR 142 CO 0.16 0.30 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.83 1mm4 s TYR 143 N -0.07 2.37 -0.05 4.92 2.02 -0.86 -2.55 117.35 123.13 1mm4 s TYR 143 Ca 0.01 -0.35 -0.00 0.00 -0.37 0.00 0.00 57.07 56.35 1mm4 s TYR 143 Cb -0.07 -1.31 -0.03 0.00 -0.40 0.00 0.00 41.96 40.14 1mm4 s TYR 143 CO 0.00 0.31 -0.01 0.96 -1.57 0.00 0.00 175.55 175.24 1mm4 s ILE 144 N -1.02 4.19 0.92 2.71 -4.36 -1.26 -3.87 121.20 118.51 1mm4 s ILE 144 Ca 0.14 -0.41 -0.12 0.00 -0.26 0.00 0.00 60.65 60.00 1mm4 s ILE 144 Cb -0.10 -2.80 0.14 0.00 1.25 0.00 0.00 42.46 40.95 1mm4 s ILE 144 CO 0.06 0.52 1.13 -2.16 0.24 0.00 0.00 174.94 174.73 1mm4 s PRO 145 N -1.14 1.06 0.00 0.37 0.04 -1.26 -4.90 135.00 129.17 1mm4 s PRO 145 Ca 0.16 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1mm4 s PRO 145 Cb -0.11 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1mm4 s PRO 145 CO 0.05 -2.26 0.00 0.41 0.04 0.00 0.00 177.00 175.25 1mm4 n GLY 146 N -2.11 -0.96 3.53 0.56 0.00 -1.26 -4.93 105.19 100.01 1mm4 n GLY 146 Ca 0.06 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1mm4 n GLY 146 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1mm4 s THR 147 N -1.82 4.74 -1.65 2.61 -1.32 -1.26 -4.06 115.64 112.88 1mm4 s THR 147 Ca 0.00 0.24 -0.01 0.00 -1.21 0.00 0.00 61.69 60.71 1mm4 s THR 147 Cb 0.00 -4.27 0.00 0.00 -1.51 0.00 0.00 72.50 66.72 1mm4 s THR 147 CO 0.00 -0.67 0.14 -1.22 -2.21 0.00 0.00 174.62 170.65 1mm4 n TYR 148 N 6.50 -1.16 -3.23 9.09 4.01 -1.26 -4.92 117.16 126.18 1mm4 n TYR 148 Ca 0.00 0.12 -0.45 0.00 -0.16 0.00 0.00 57.90 57.41 1mm4 n TYR 148 Cb 0.48 -3.95 -0.01 0.00 -0.31 0.00 0.00 39.34 35.55 1mm4 n TYR 148 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1mm4 s ASN 149 N -2.25 7.11 -0.18 7.72 3.84 -1.26 -4.95 114.94 124.98 1mm4 s ASN 149 Ca 0.07 -3.18 -0.05 0.00 0.21 0.00 0.00 52.86 49.91 1mm4 s ASN 149 Cb -0.03 -2.26 0.06 0.00 -0.55 0.00 0.00 41.25 38.47 1mm4 s ASN 149 CO 0.08 -0.49 0.09 0.54 -2.79 0.00 0.00 177.10 174.53 1mm4 s ASN 150 N 1.96 2.44 0.00 -4.21 2.20 -1.26 -4.77 114.94 111.29 1mm4 s ASN 150 Ca 0.31 -0.66 0.00 0.00 -0.94 0.00 0.00 52.86 51.56 1mm4 s ASN 150 Cb -0.08 -0.25 0.00 0.00 -2.00 0.00 0.00 41.25 38.92 1mm4 s ASN 150 CO -0.07 -0.36 0.00 0.61 -2.94 0.00 0.00 177.10 174.35 1mm4 n GLY 151 N 5.28 1.27 0.54 0.45 0.00 -1.26 -5.00 105.19 106.47 1mm4 n GLY 151 Ca -0.07 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1mm4 n GLY 151 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mm4 n ASN 152 N 0.74 1.19 -3.71 1.61 4.05 -1.26 -5.03 115.26 112.85 1mm4 n ASN 152 Ca 0.00 0.12 -0.16 0.00 0.45 0.00 0.00 54.58 54.99 1mm4 n ASN 152 Cb 0.15 -0.34 -0.16 0.00 1.23 0.00 0.00 39.78 40.66 1mm4 n ASN 152 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1mm4 s VAL 153 N -2.23 -0.14 -0.00 3.44 -7.23 -1.26 -5.15 120.40 107.83 1mm4 s VAL 153 Ca -0.17 0.29 0.02 0.00 -1.81 0.00 0.00 61.98 60.31 1mm4 s VAL 153 Cb 0.06 -0.22 -0.01 0.00 0.56 0.00 0.00 36.38 36.77 1mm4 s VAL 153 CO 0.23 0.12 -0.07 -0.72 -0.31 0.00 0.00 175.10 174.35 1mm4 s TYR 154 N 1.75 0.59 -0.13 2.82 1.13 -1.26 -4.51 117.35 117.73 1mm4 s TYR 154 Ca -0.02 -0.14 -0.05 0.00 -1.41 0.00 0.00 57.07 55.45 1mm4 s TYR 154 Cb -0.12 -0.37 -0.04 0.00 -1.10 0.00 0.00 41.96 40.33 1mm4 s TYR 154 CO -0.05 -0.01 0.04 0.12 -2.51 0.00 0.00 175.55 173.14 1mm4 s PHE 155 N -0.26 3.25 0.11 -3.49 5.36 -1.06 -4.98 117.98 116.92 1mm4 s PHE 155 Ca 0.01 0.16 0.05 0.00 -0.96 0.00 0.00 56.93 56.19 1mm4 s PHE 155 Cb -0.03 -1.92 -0.04 0.00 -0.34 0.00 0.00 43.02 40.68 1mm4 s PHE 155 CO -0.00 0.36 0.05 0.00 -1.46 0.00 0.00 175.22 174.18 1mm4 s ALA 156 N -0.38 3.43 0.02 11.12 0.00 -1.26 -1.34 121.76 133.35 1mm4 s ALA 156 Ca 0.08 -1.14 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 1mm4 s ALA 156 Cb -0.12 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1mm4 s ALA 156 CO 0.02 0.65 0.18 -1.58 0.00 0.00 0.00 175.76 175.03 1mm4 s TRP 157 N -1.48 0.04 -0.22 0.00 0.52 0.11 -4.65 118.94 113.25 1mm4 s TRP 157 Ca 0.28 -0.20 -0.07 0.00 0.02 0.00 0.00 56.10 56.13 1mm4 s TRP 157 Cb -0.11 -0.03 -0.03 0.00 -1.15 0.00 0.00 33.47 32.14 1mm4 s TRP 157 CO 0.21 -0.38 0.06 1.41 0.02 0.00 0.00 176.95 178.27 1mm4 s MET 158 N -2.11 3.77 -0.30 4.98 1.75 -0.72 -1.59 119.30 125.08 1mm4 s MET 158 Ca -0.09 -0.44 0.03 0.00 -1.25 0.00 0.00 55.69 53.95 1mm4 s MET 158 Cb -0.03 -3.26 0.08 0.00 2.84 0.00 0.00 34.83 34.46 1mm4 s MET 158 CO -0.02 0.00 -0.04 0.50 -0.65 0.00 0.00 175.02 174.82 1mm4 s ARG 159 N 1.09 1.97 -0.06 4.11 3.52 -0.46 -2.28 118.95 126.84 1mm4 s ARG 159 Ca 0.04 -1.55 -0.11 0.00 -0.13 0.00 0.00 55.73 53.98 1mm4 s ARG 159 Cb -0.14 -3.04 -0.05 0.00 -1.56 0.00 0.00 34.95 30.15 1mm4 s ARG 159 CO 0.03 -0.72 0.27 0.12 -0.81 0.00 0.00 175.30 174.19 1mm4 s PHE 160 N 1.04 3.66 -0.21 5.12 2.19 -1.05 -2.07 117.98 126.65 1mm4 s PHE 160 Ca -0.01 0.76 -0.02 0.00 0.33 0.00 0.00 56.93 57.99 1mm4 s PHE 160 Cb -0.20 -2.11 0.01 0.00 -1.31 0.00 0.00 43.02 39.41 1mm4 s PHE 160 CO -0.06 0.69 -0.10 1.14 1.83 0.00 0.00 175.22 178.73 1mm4 s GLN 161 N -1.06 3.12 0.20 10.12 -2.07 -1.12 -2.16 119.66 126.69 1mm4 s GLN 161 Ca 0.19 -0.78 0.07 0.00 -1.82 0.00 0.00 55.36 53.02 1mm4 s GLN 161 Cb -0.14 -2.86 -0.05 0.00 -1.09 0.00 0.00 33.01 28.86 1mm4 s GLN 161 CO 0.09 -0.25 -0.12 0.12 -1.32 0.00 0.00 175.29 173.80 1mm4 s PHE 162 N 1.38 1.62 -0.06 9.60 5.36 0.45 -4.88 117.98 131.45 1mm4 s PHE 162 Ca 0.04 -0.65 -0.20 0.00 -0.96 0.00 0.00 56.93 55.16 1mm4 s PHE 162 Cb -0.14 -0.79 0.04 0.00 -0.34 0.00 0.00 43.02 41.79 1mm4 s PHE 162 CO -0.07 0.27 0.46 -1.17 -1.46 0.00 0.00 175.22 173.25 1mm4 s LEU 163 N -3.29 0.23 -0.30 6.12 2.96 -1.26 -1.67 118.68 121.47 1mm4 s LEU 163 Ca 0.22 0.47 -0.07 0.00 -0.22 0.00 0.00 54.13 54.53 1mm4 s LEU 163 Cb 0.01 1.75 0.01 0.00 0.50 0.00 0.00 46.19 48.46 1mm4 s LEU 163 CO 0.06 -0.44 0.09 -1.61 -1.32 0.00 0.00 176.35 173.13 1mm4 s GLU 164 N -0.95 3.05 0.33 1.98 8.01 -1.26 -4.97 118.70 124.90 1mm4 s GLU 164 Ca -0.10 -0.89 0.08 0.00 0.01 0.00 0.00 54.97 54.08 1mm4 s GLU 164 Cb -0.03 -3.41 0.57 0.00 -4.31 0.00 0.00 34.13 26.95 1mm4 s GLU 164 CO 0.05 -0.47 1.77 0.45 0.01 0.00 0.00 175.26 177.07 1mm4 h HIS 165 N 8.25 0.23 -0.87 1.61 3.86 -2.02 -2.88 115.15 123.32 1mm4 h HIS 165 Ca -0.30 -0.05 -0.56 0.00 -1.16 0.00 0.00 60.37 58.29 1mm4 h HIS 165 Cb 1.12 -0.05 -0.26 0.00 1.06 0.00 0.00 27.41 29.28 1mm4 h HIS 165 CO 0.61 0.52 0.73 -2.39 0.86 0.00 0.00 177.93 178.26 1mm4 n HIS 166 N -4.09 2.80 -1.29 2.45 1.44 -1.26 -4.53 115.22 110.72 1mm4 n HIS 166 Ca -0.01 -2.55 -0.31 0.00 -2.01 0.00 0.00 57.72 52.84 1mm4 n HIS 166 Cb 0.42 -1.24 0.12 0.00 0.12 0.00 0.00 29.99 29.41 1mm4 n HIS 166 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1mm4 n HIS 167 N -0.68 3.17 -3.67 -1.40 -0.00 -1.09 -4.86 115.22 106.69 1mm4 n HIS 167 Ca 0.54 -2.58 -0.10 0.00 -0.00 0.00 0.00 57.72 55.58 1mm4 n HIS 167 Cb 0.83 -1.26 -0.10 0.00 -0.00 0.00 0.00 29.99 29.45 1mm4 n HIS 167 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1mm4 s HIS 168 N -3.63 -0.70 0.67 1.57 -3.43 -1.26 -4.99 115.29 103.52 1mm4 s HIS 168 Ca 0.62 1.40 -0.10 0.00 -0.80 0.00 0.00 55.06 56.18 1mm4 s HIS 168 Cb 0.50 0.27 0.01 0.00 -1.43 0.00 0.00 32.58 31.93 1mm4 s HIS 168 CO 0.04 -0.42 1.03 -3.38 -2.00 0.00 0.00 174.74 170.01 1mm4 s HIS 169 N 2.16 3.29 0.00 0.38 -3.43 -1.26 -5.19 115.29 111.24 1mm4 s HIS 169 Ca -0.04 0.91 0.00 0.00 -0.80 0.00 0.00 55.06 55.12 1mm4 s HIS 169 Cb -0.11 -2.97 0.00 0.00 -1.43 0.00 0.00 32.58 28.07 1mm4 s HIS 169 CO -0.12 -1.07 0.00 -2.39 -2.00 0.00 0.00 174.74 169.15