#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mc4 h PRO 10 N 0.00 0.66 -0.18 -0.67 0.13 -2.06 -1.63 132.00 128.26 3mc4 h PRO 10 Ca 0.00 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 3mc4 h PRO 10 Cb 0.00 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 30.97 3mc4 h PRO 10 CO 0.00 0.43 0.08 0.82 -0.23 0.00 0.00 178.00 179.11 3mc4 h ILE 11 N 0.68 1.14 -0.87 -3.56 2.04 -2.00 -1.54 117.51 113.39 3mc4 h ILE 11 Ca 0.35 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3mc4 h ILE 11 Cb 0.33 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 3mc4 h ILE 11 CO -0.24 0.13 0.52 -0.25 0.00 0.00 0.00 178.15 178.30 3mc4 h TRP 12 N 0.15 1.16 -0.33 1.37 -0.00 -1.89 -0.81 115.95 115.59 3mc4 h TRP 12 Ca 0.06 -0.01 0.02 0.00 -0.00 0.00 0.00 58.89 58.96 3mc4 h TRP 12 Cb 0.13 -0.38 -0.02 0.00 -0.00 0.00 0.00 29.16 28.89 3mc4 h TRP 12 CO -0.02 0.78 0.19 1.25 -0.00 0.00 0.00 178.44 180.63 3mc4 h HIS 13 N 1.20 0.35 -0.34 2.65 2.76 -1.04 -0.84 115.15 119.89 3mc4 h HIS 13 Ca 0.31 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.47 3mc4 h HIS 13 Cb -0.04 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 3mc4 h HIS 13 CO 0.00 0.20 0.10 0.77 -1.30 0.00 0.00 177.93 177.71 3mc4 h SER 14 N 0.39 0.50 -0.97 3.26 0.02 -0.97 -1.85 113.55 113.93 3mc4 h SER 14 Ca 0.13 -0.21 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3mc4 h SER 14 Cb 0.01 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.36 3mc4 h SER 14 CO -0.07 0.58 0.63 0.40 -1.14 0.00 0.00 176.83 177.23 3mc4 h ILE 15 N 0.40 1.17 -0.23 3.27 2.04 -0.87 0.19 117.51 123.48 3mc4 h ILE 15 Ca 0.11 -0.42 -0.17 0.00 1.00 0.00 0.00 64.86 65.38 3mc4 h ILE 15 Cb 0.26 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 3mc4 h ILE 15 CO -0.00 0.23 -0.50 0.03 0.00 0.00 0.00 178.15 177.90 3mc4 h ARG 16 N 1.23 0.75 -0.34 2.37 3.08 -0.81 -1.71 114.38 118.96 3mc4 h ARG 16 Ca 0.38 -0.50 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 3mc4 h ARG 16 Cb -0.01 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3mc4 h ARG 16 CO -0.12 1.12 -0.04 0.00 -1.07 0.00 0.00 179.97 179.86 3mc4 h ALA 17 N 0.63 1.31 -0.38 0.04 0.00 -1.00 -2.14 119.26 117.71 3mc4 h ALA 17 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3mc4 h ALA 17 Cb 1.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3mc4 h ALA 17 CO 0.11 0.47 0.00 0.93 0.00 0.00 0.00 179.25 180.76 3mc4 h GLU 18 N 0.51 0.67 -0.16 0.00 5.08 -0.35 -2.78 114.58 117.55 3mc4 h GLU 18 Ca 0.10 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3mc4 h GLU 18 Cb 0.39 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3mc4 h GLU 18 CO 0.02 0.77 0.08 0.00 -1.00 0.00 0.00 179.01 178.88 3mc4 h ALA 19 N 0.88 0.21 -0.25 3.43 0.00 -1.16 -0.36 119.26 122.00 3mc4 h ALA 19 Ca 0.11 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3mc4 h ALA 19 Cb 0.47 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 3mc4 h ALA 19 CO 0.02 -0.25 -0.30 0.93 0.00 0.00 0.00 179.25 179.65 3mc4 h GLU 20 N 0.15 -0.30 -0.56 0.00 5.08 -1.44 -1.10 114.58 116.41 3mc4 h GLU 20 Ca 0.06 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3mc4 h GLU 20 Cb 0.09 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3mc4 h GLU 20 CO -0.01 -0.20 0.34 1.49 -1.00 0.00 0.00 179.01 179.63 3mc4 h GLU 21 N -0.31 0.65 -0.66 2.33 4.57 -1.29 -1.59 114.58 118.29 3mc4 h GLU 21 Ca 0.13 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.35 3mc4 h GLU 21 Cb 0.52 -0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 28.90 3mc4 h GLU 21 CO -0.42 0.43 0.32 0.00 -1.18 0.00 0.00 179.01 178.16 3mc4 h ALA 22 N 1.24 0.88 -0.31 2.92 0.00 -0.80 0.03 119.26 123.23 3mc4 h ALA 22 Ca 0.22 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3mc4 h ALA 22 Cb 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3mc4 h ALA 22 CO -0.09 -0.06 0.01 1.15 0.00 0.00 0.00 179.25 180.25 3mc4 h THR 23 N 0.57 1.25 -0.25 0.00 2.02 -0.88 -0.30 112.91 115.33 3mc4 h THR 23 Ca 0.32 -0.93 0.04 0.00 0.77 0.00 0.00 66.41 66.61 3mc4 h THR 23 Cb 0.31 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 3mc4 h THR 23 CO -0.25 0.30 0.01 0.03 0.37 0.00 0.00 175.52 175.98 3mc4 h ARG 24 N 0.34 0.09 -0.21 6.66 3.08 -0.96 -2.41 114.38 120.96 3mc4 h ARG 24 Ca 0.09 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3mc4 h ARG 24 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3mc4 h ARG 24 CO 0.01 0.06 -0.00 -0.97 -1.07 0.00 0.00 179.97 178.00 3mc4 h ASN 25 N 0.09 0.28 -1.81 7.04 -1.24 -0.69 -3.38 115.58 115.87 3mc4 h ASN 25 Ca 0.12 -0.04 -0.40 0.00 0.71 0.00 0.00 56.30 56.69 3mc4 h ASN 25 Cb 0.14 -0.07 -0.29 0.00 0.73 0.00 0.00 38.32 38.83 3mc4 h ASN 25 CO -0.19 0.34 -0.77 -0.62 -1.29 0.00 0.00 177.43 174.90 3mc4 s ASP 26 N -6.84 0.31 0.62 1.15 -1.08 -0.15 -5.04 116.67 105.64 3mc4 s ASP 26 Ca -0.06 -2.42 0.38 0.00 -0.52 0.00 0.00 52.55 49.92 3mc4 s ASP 26 Cb 0.16 0.54 2.02 0.00 -1.46 0.00 0.00 42.92 44.18 3mc4 s ASP 26 CO 0.73 -0.13 2.25 -0.65 0.52 0.00 0.00 175.17 177.89 3mc4 h PRO 27 N 5.54 0.00 0.00 4.34 0.11 -1.63 -1.49 132.00 138.87 3mc4 h PRO 27 Ca 0.17 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 3mc4 h PRO 27 Cb 1.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3mc4 h PRO 27 CO 0.22 0.02 -0.16 -0.24 -0.21 0.00 0.00 178.00 177.63 3mc4 h VAL 28 N 0.00 0.52 -0.09 3.15 3.04 -1.96 -1.19 116.25 119.72 3mc4 h VAL 28 Ca -0.00 -0.79 0.00 0.00 -1.01 0.00 0.00 66.70 64.90 3mc4 h VAL 28 Cb 0.13 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 3mc4 h VAL 28 CO 0.00 0.16 0.00 0.18 -1.01 0.00 0.00 177.57 176.90 3mc4 n LEU 29 N -3.48 0.77 -0.36 3.16 4.77 -0.56 -4.26 117.00 117.03 3mc4 n LEU 29 Ca -0.01 -0.33 -0.02 0.00 -0.03 0.00 0.00 56.01 55.62 3mc4 n LEU 29 Cb 0.32 -0.06 0.12 0.00 -2.33 0.00 0.00 43.42 41.48 3mc4 n LEU 29 CO 0.31 0.17 1.28 1.23 -1.33 0.00 0.00 177.39 179.04 3mc4 h GLY 30 N 5.31 1.37 0.94 -0.72 0.00 -1.34 0.10 103.07 108.73 3mc4 h GLY 30 Ca 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 3mc4 h GLY 30 CO 0.00 0.51 0.02 0.00 0.00 0.00 0.00 176.54 177.07 3mc4 h ALA 31 N 1.38 0.04 -0.14 3.60 0.00 -1.80 -0.62 119.26 121.71 3mc4 h ALA 31 Ca 0.35 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.26 3mc4 h ALA 31 Cb -0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3mc4 h ALA 31 CO -0.07 -0.43 -0.08 0.35 0.00 0.00 0.00 179.25 179.02 3mc4 h PHE 32 N -0.02 -0.18 -0.03 0.00 3.57 -1.72 0.11 116.94 118.67 3mc4 h PHE 32 Ca 0.01 0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.27 3mc4 h PHE 32 Cb 0.06 0.10 0.02 0.00 2.79 0.00 0.00 35.95 38.92 3mc4 h PHE 32 CO -0.05 -0.12 -0.99 -0.07 -2.23 0.00 0.00 178.31 174.84 3mc4 h LEU 33 N -0.07 0.88 -0.13 0.59 3.38 -0.75 -0.84 115.31 118.38 3mc4 h LEU 33 Ca 0.08 -0.68 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 3mc4 h LEU 33 Cb 0.19 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3mc4 h LEU 33 CO -0.18 1.49 -0.01 1.88 0.09 0.00 0.00 178.44 181.70 3mc4 h TYR 34 N 0.40 0.25 -0.97 1.13 -1.99 -1.13 -0.04 116.97 114.63 3mc4 h TYR 34 Ca -0.11 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.57 3mc4 h TYR 34 Cb 1.64 -0.06 -0.05 0.00 2.00 0.00 0.00 36.73 40.26 3mc4 h TYR 34 CO 0.10 0.49 0.61 0.00 -0.00 0.00 0.00 178.16 179.36 3mc4 h ALA 35 N 0.73 1.23 0.00 3.88 0.00 -0.72 0.72 119.26 125.10 3mc4 h ALA 35 Ca 0.03 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 3mc4 h ALA 35 Cb 0.40 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3mc4 h ALA 35 CO 0.01 0.66 -1.59 2.41 0.00 0.00 0.00 179.25 180.74 3mc4 n THR 36 N -4.37 1.14 0.04 0.00 -1.04 -0.33 -4.70 114.28 105.02 3mc4 n THR 36 Ca 0.11 -0.70 0.00 0.00 -2.04 0.00 0.00 64.05 61.42 3mc4 n THR 36 Cb 0.04 -0.67 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 3mc4 n THR 36 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3mc4 n ILE 37 N -2.83 0.41 0.17 12.58 5.41 -0.07 -4.49 119.36 130.53 3mc4 n ILE 37 Ca -0.12 0.13 0.03 0.00 1.00 0.00 0.00 62.75 63.79 3mc4 n ILE 37 Cb 0.87 -0.97 0.42 0.00 -0.71 0.00 0.00 39.64 39.25 3mc4 n ILE 37 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3mc4 h LEU 38 N 0.00 0.11 -0.15 1.39 3.38 -1.32 -1.73 115.31 116.99 3mc4 h LEU 38 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3mc4 h LEU 38 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3mc4 h LEU 38 CO 0.00 0.31 -0.13 0.59 0.09 0.00 0.00 178.44 179.31 3mc4 n ASN 39 N -4.26 0.37 -4.79 -0.43 4.13 0.23 -4.86 115.26 105.65 3mc4 n ASN 39 Ca -0.02 -0.35 -0.39 0.00 1.68 0.00 0.00 54.58 55.51 3mc4 n ASN 39 Cb 0.28 -0.12 -0.06 0.00 -1.54 0.00 0.00 39.78 38.35 3mc4 n ASN 39 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3mc4 s GLN 40 N -2.62 4.42 0.33 3.52 -1.52 -0.65 -4.98 119.66 118.16 3mc4 s GLN 40 Ca 0.25 0.98 0.26 0.00 -1.95 0.00 0.00 55.36 54.90 3mc4 s GLN 40 Cb 0.20 -3.26 0.90 0.00 -0.22 0.00 0.00 33.01 30.63 3mc4 s GLN 40 CO 0.51 0.59 1.77 -1.00 -0.25 0.00 0.00 175.29 176.90 3mc4 h PRO 41 N 4.46 0.00 -3.26 2.91 0.13 -1.89 -3.47 132.00 130.88 3mc4 h PRO 41 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3mc4 h PRO 41 Cb 1.21 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 3mc4 h PRO 41 CO 0.65 0.00 0.07 -1.54 -0.23 0.00 0.00 178.00 176.95 3mc4 s SER 42 N -4.92 -0.25 0.22 1.44 1.04 -1.26 -5.02 113.70 104.94 3mc4 s SER 42 Ca 0.06 -0.57 -0.09 0.00 0.48 0.00 0.00 55.95 55.82 3mc4 s SER 42 Cb 0.09 0.62 0.18 0.00 0.10 0.00 0.00 66.02 67.02 3mc4 s SER 42 CO 0.53 -1.15 1.88 0.25 0.98 0.00 0.00 173.24 175.73 3mc4 h LEU 43 N 2.14 0.89 -0.20 2.42 5.85 -1.96 -1.96 115.31 122.48 3mc4 h LEU 43 Ca -0.26 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.49 3mc4 h LEU 43 Cb 1.26 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 3mc4 h LEU 43 CO 0.33 0.63 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.66 3mc4 h GLU 44 N 1.04 -0.04 -0.27 1.25 3.07 -1.98 -0.75 114.58 116.91 3mc4 h GLU 44 Ca 0.29 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.06 3mc4 h GLU 44 Cb -0.09 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 3mc4 h GLU 44 CO -0.07 -0.03 -0.24 0.93 -1.40 0.00 0.00 179.01 178.20 3mc4 h GLU 45 N -0.04 0.52 -0.70 2.33 4.39 -1.90 -1.38 114.58 117.79 3mc4 h GLU 45 Ca 0.11 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 3mc4 h GLU 45 Cb 0.20 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3mc4 h GLU 45 CO -0.23 0.72 0.40 0.00 -1.16 0.00 0.00 179.01 178.74 3mc4 h ALA 46 N 1.29 0.90 -0.03 3.43 0.00 -0.65 -0.42 119.26 123.77 3mc4 h ALA 46 Ca 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3mc4 h ALA 46 Cb 0.66 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3mc4 h ALA 46 CO 0.05 0.40 -0.01 0.28 0.00 0.00 0.00 179.25 179.96 3mc4 h VAL 47 N 0.96 1.32 -0.63 0.00 2.07 -0.88 -1.38 116.25 117.71 3mc4 h VAL 47 Ca 0.25 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.83 3mc4 h VAL 47 Cb 0.01 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 3mc4 h VAL 47 CO -0.04 0.26 0.39 0.24 0.02 0.00 0.00 177.57 178.44 3mc4 h MET 48 N -0.32 0.75 -0.28 1.57 2.07 -1.22 -1.95 114.93 115.55 3mc4 h MET 48 Ca 0.01 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 57.58 3mc4 h MET 48 Cb 0.42 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 29.97 3mc4 h MET 48 CO 0.00 0.50 0.11 1.25 1.07 0.00 0.00 176.91 179.84 3mc4 h HIS 49 N 0.77 0.43 -0.58 -0.22 6.17 -1.03 0.28 115.15 120.97 3mc4 h HIS 49 Ca 0.25 -0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.27 3mc4 h HIS 49 Cb 0.01 -0.13 -0.03 0.00 2.52 0.00 0.00 27.41 29.79 3mc4 h HIS 49 CO -0.05 0.44 0.27 -0.09 0.71 0.00 0.00 177.93 179.20 3mc4 h ARG 50 N 0.30 0.85 -0.52 5.26 9.65 -1.14 -1.30 114.38 127.48 3mc4 h ARG 50 Ca 0.09 -0.13 -0.07 0.00 -1.10 0.00 0.00 59.98 58.77 3mc4 h ARG 50 Cb 0.19 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 3mc4 h ARG 50 CO -0.01 0.70 0.06 0.82 2.80 0.00 0.00 179.97 184.34 3mc4 h ILE 51 N 0.79 1.26 -0.72 1.20 2.04 -1.25 -1.29 117.51 119.54 3mc4 h ILE 51 Ca 0.20 -0.98 0.06 0.00 1.00 0.00 0.00 64.86 65.14 3mc4 h ILE 51 Cb 0.14 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 3mc4 h ILE 51 CO -0.02 0.35 0.41 0.00 0.00 0.00 0.00 178.15 178.89 3mc4 h ALA 52 N 0.97 0.98 -0.61 1.87 0.00 -0.82 -1.24 119.26 120.42 3mc4 h ALA 52 Ca 0.15 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3mc4 h ALA 52 Cb 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3mc4 h ALA 52 CO 0.01 0.10 0.03 0.93 0.00 0.00 0.00 179.25 180.33 3mc4 h GLU 53 N 0.75 1.05 -0.49 0.00 4.39 -0.73 0.10 114.58 119.66 3mc4 h GLU 53 Ca 0.33 -0.32 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 3mc4 h GLU 53 Cb 0.20 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3mc4 h GLU 53 CO -0.19 1.01 -0.21 0.00 -1.16 0.00 0.00 179.01 178.46 3mc4 h ARG 54 N 0.95 1.01 0.00 2.33 3.08 -1.00 -3.20 114.38 117.55 3mc4 h ARG 54 Ca 0.18 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3mc4 h ARG 54 Cb 0.52 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3mc4 h ARG 54 CO 0.02 1.11 -0.67 1.28 -1.07 0.00 0.00 179.97 180.65 3mc4 n LEU 55 N -4.11 0.67 -4.63 3.04 4.77 -0.49 -4.94 117.00 111.31 3mc4 n LEU 55 Ca 0.00 0.18 -0.38 0.00 -0.03 0.00 0.00 56.01 55.79 3mc4 n LEU 55 Cb 0.46 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 41.43 3mc4 n LEU 55 CO 0.47 -0.03 0.59 0.61 -1.33 0.00 0.00 177.39 177.70 3mc4 n GLY 56 N 1.35 -0.21 3.53 -0.72 0.00 0.35 -4.90 105.19 104.59 3mc4 n GLY 56 Ca 0.03 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 3mc4 n GLY 56 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3mc4 s HIS 57 N -1.49 -0.48 0.63 1.61 5.04 -1.05 -4.85 115.29 114.70 3mc4 s HIS 57 Ca 0.76 0.69 0.26 0.00 -1.54 0.00 0.00 55.06 55.23 3mc4 s HIS 57 Cb -0.42 0.47 1.36 0.00 0.04 0.00 0.00 32.58 34.03 3mc4 s HIS 57 CO 0.47 -0.53 1.78 -1.35 -2.34 0.00 0.00 174.74 172.77 3mc4 h PRO 58 N 2.54 0.00 -0.17 2.88 0.11 -1.98 -1.59 132.00 133.78 3mc4 h PRO 58 Ca -0.24 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.67 3mc4 h PRO 58 Cb 1.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.30 3mc4 h PRO 58 CO 0.34 0.00 -0.69 -0.44 -0.21 0.00 0.00 178.00 177.01 3mc4 h ASP 59 N 0.00 0.90 -2.72 -2.05 3.32 -1.98 -3.42 116.42 110.47 3mc4 h ASP 59 Ca 0.14 -0.61 -0.38 0.00 0.02 0.00 0.00 57.03 56.20 3mc4 h ASP 59 Cb 1.20 -0.26 -0.38 0.00 0.22 0.00 0.00 39.33 40.11 3mc4 h ASP 59 CO -0.00 1.36 -0.68 -0.69 -1.72 0.00 0.00 179.24 177.51 3mc4 s VAL 60 N -3.82 -0.23 0.83 -1.35 1.01 -0.60 -5.14 120.40 111.09 3mc4 s VAL 60 Ca -0.11 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 3mc4 s VAL 60 Cb 0.08 -0.65 0.09 0.00 0.00 0.00 0.00 36.38 35.90 3mc4 s VAL 60 CO 0.89 -0.25 1.14 -0.94 0.00 0.00 0.00 175.10 175.94 3mc4 s SER 61 N 2.25 3.69 0.31 3.32 1.04 -1.18 -2.52 113.70 120.61 3mc4 s SER 61 Ca 0.05 2.13 0.07 0.00 0.48 0.00 0.00 55.95 58.68 3mc4 s SER 61 Cb -0.16 -2.56 0.75 0.00 0.10 0.00 0.00 66.02 64.16 3mc4 s SER 61 CO -0.12 -2.59 1.79 0.00 0.98 0.00 0.00 173.24 173.31 3mc4 h ALA 62 N -1.25 1.71 -0.23 5.32 0.00 -1.81 -2.35 119.26 120.65 3mc4 h ALA 62 Ca -0.44 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 3mc4 h ALA 62 Cb 1.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3mc4 h ALA 62 CO 0.46 -0.06 -0.41 0.22 0.00 0.00 0.00 179.25 179.46 3mc4 h ASP 63 N 0.76 0.57 -0.56 0.00 1.82 -1.90 -1.93 116.42 115.18 3mc4 h ASP 63 Ca 0.56 -0.25 -0.05 0.00 -0.39 0.00 0.00 57.03 56.89 3mc4 h ASP 63 Cb 0.88 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.71 3mc4 h ASP 63 CO -0.34 0.91 0.14 0.40 -1.61 0.00 0.00 179.24 178.74 3mc4 h ILE 64 N 0.44 1.25 -1.00 2.25 2.04 -1.81 -1.21 117.51 119.47 3mc4 h ILE 64 Ca 0.04 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.04 3mc4 h ILE 64 Cb 0.90 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 3mc4 h ILE 64 CO 0.08 0.32 0.66 -0.07 0.00 0.00 0.00 178.15 179.14 3mc4 h LEU 65 N 0.80 1.14 -0.40 1.44 3.38 -1.26 -0.91 115.31 119.50 3mc4 h LEU 65 Ca 0.18 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 3mc4 h LEU 65 Cb 0.33 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3mc4 h LEU 65 CO 0.00 0.82 -0.62 -0.09 0.09 0.00 0.00 178.44 178.64 3mc4 h ARG 66 N 1.35 0.62 -0.18 1.13 2.43 -1.02 0.40 114.38 119.11 3mc4 h ARG 66 Ca 0.37 -0.43 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3mc4 h ARG 66 Cb -0.13 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3mc4 h ARG 66 CO -0.09 1.05 0.07 1.96 -1.51 0.00 0.00 179.97 181.45 3mc4 h GLN 67 N 0.46 0.28 -0.50 0.20 4.20 -1.02 -0.48 115.11 118.26 3mc4 h GLN 67 Ca -0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3mc4 h GLN 67 Cb 1.19 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 3mc4 h GLN 67 CO 0.12 0.36 0.32 1.15 -0.67 0.00 0.00 178.83 180.11 3mc4 h THR 68 N 0.14 1.13 -0.72 -0.54 2.02 -1.05 -2.30 112.91 111.60 3mc4 h THR 68 Ca 0.06 -0.26 0.05 0.00 0.77 0.00 0.00 66.41 67.03 3mc4 h THR 68 Cb 0.18 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 3mc4 h THR 68 CO -0.00 0.13 0.43 0.15 0.37 0.00 0.00 175.52 176.59 3mc4 h PHE 69 N 0.67 0.79 -0.91 3.16 3.04 -0.75 -2.08 116.94 120.87 3mc4 h PHE 69 Ca 0.18 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.17 3mc4 h PHE 69 Cb -0.06 -0.25 -0.05 0.00 2.56 0.00 0.00 35.95 38.15 3mc4 h PHE 69 CO -0.04 0.40 0.60 -0.44 -2.02 0.00 0.00 178.31 176.81 3mc4 h ASP 70 N 0.79 1.03 -0.70 0.41 3.32 -0.71 -0.62 116.42 119.94 3mc4 h ASP 70 Ca 0.31 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 3mc4 h ASP 70 Cb 0.15 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3mc4 h ASP 70 CO -0.16 0.74 0.32 0.71 -1.72 0.00 0.00 179.24 179.13 3mc4 h THR 71 N 1.21 1.23 -0.40 0.35 1.35 -0.85 -1.79 112.91 114.02 3mc4 h THR 71 Ca 0.34 -0.69 -0.14 0.00 -0.55 0.00 0.00 66.41 65.37 3mc4 h THR 71 Cb -0.11 0.34 -0.01 0.00 -1.73 0.00 0.00 68.15 66.64 3mc4 h THR 71 CO -0.08 0.29 -0.30 -0.03 -0.25 0.00 0.00 175.52 175.15 3mc4 h MET 72 N 1.03 0.91 -0.40 4.72 1.85 -0.67 -2.65 114.93 119.71 3mc4 h MET 72 Ca 0.25 -0.45 0.03 0.00 -0.61 0.00 0.00 59.70 58.92 3mc4 h MET 72 Cb 0.14 -0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.13 3mc4 h MET 72 CO -0.03 1.10 0.20 1.25 -0.40 0.00 0.00 176.91 179.03 3mc4 h LEU 73 N 0.73 0.30 -0.76 3.39 5.85 -1.00 0.10 115.31 123.93 3mc4 h LEU 73 Ca 0.08 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3mc4 h LEU 73 Cb 0.89 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 3mc4 h LEU 73 CO 0.08 0.22 0.49 -0.33 -0.34 0.00 0.00 178.44 178.56 3mc4 h GLU 74 N 0.41 1.00 0.00 1.25 4.39 -1.26 -1.90 114.58 118.47 3mc4 h GLU 74 Ca 0.17 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3mc4 h GLU 74 Cb 0.07 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 3mc4 h GLU 74 CO -0.12 0.67 0.00 0.00 -1.16 0.00 0.00 179.01 178.41 3mc4 h ALA 75 N 1.27 1.00 -2.10 3.43 0.00 -1.28 -3.38 119.26 118.19 3mc4 h ALA 75 Ca 0.28 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.61 3mc4 h ALA 75 Cb -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.28 3mc4 h ALA 75 CO -0.06 0.00 -0.84 0.09 0.00 0.00 0.00 179.25 178.44 3mc4 n ASN 76 N -2.77 2.08 0.33 0.00 3.02 0.34 -4.95 115.26 113.31 3mc4 n ASN 76 Ca 0.04 -3.10 0.21 0.00 -0.03 0.00 0.00 54.58 51.70 3mc4 n ASN 76 Cb 0.44 -0.65 1.13 0.00 -0.61 0.00 0.00 39.78 40.09 3mc4 n ASN 76 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3mc4 h PRO 77 N 4.04 0.00 0.00 3.52 0.13 -1.72 -0.69 132.00 137.27 3mc4 h PRO 77 Ca 0.14 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.24 3mc4 h PRO 77 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 3mc4 h PRO 77 CO 0.66 0.00 -0.13 1.49 -0.23 0.00 0.00 178.00 179.79 3mc4 h GLU 78 N 0.00 0.00 -0.85 0.86 4.57 -1.92 -2.86 114.58 114.38 3mc4 h GLU 78 Ca 0.00 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.38 3mc4 h GLU 78 Cb 0.05 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.58 3mc4 h GLU 78 CO -0.00 0.13 0.57 2.35 -1.18 0.00 0.00 179.01 180.88 3mc4 h TRP 79 N 0.00 0.44 -0.48 0.92 7.01 -1.48 -1.83 115.95 120.52 3mc4 h TRP 79 Ca -0.00 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.08 3mc4 h TRP 79 Cb 0.43 -0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 27.30 3mc4 h TRP 79 CO 0.00 0.13 0.16 0.77 -2.79 0.00 0.00 178.44 176.70 3mc4 h SER 80 N 0.34 0.14 0.05 2.65 0.02 -1.69 0.30 113.55 115.35 3mc4 h SER 80 Ca 0.43 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.45 3mc4 h SER 80 Cb 1.17 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3mc4 h SER 80 CO -0.14 0.11 -0.03 -0.74 -1.14 0.00 0.00 176.83 174.89 3mc4 h HIS 81 N 0.32 -0.07 -0.62 3.45 -0.00 -1.56 -2.99 115.15 113.68 3mc4 h HIS 81 Ca 0.23 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.65 3mc4 h HIS 81 Cb 0.26 0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 27.64 3mc4 h HIS 81 CO -0.17 0.19 0.35 0.28 -0.00 0.00 0.00 177.93 178.58 3mc4 h VAL 82 N -0.33 0.99 -0.46 5.26 2.07 -0.69 -0.52 116.25 122.57 3mc4 h VAL 82 Ca -0.01 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.36 3mc4 h VAL 82 Cb 0.29 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 3mc4 h VAL 82 CO 0.01 0.12 0.10 0.25 0.02 0.00 0.00 177.57 178.07 3mc4 h LEU 83 N 0.66 0.02 -0.77 2.57 6.46 -0.50 -0.37 115.31 123.38 3mc4 h LEU 83 Ca 0.27 0.08 -0.11 0.00 -0.12 0.00 0.00 57.88 58.00 3mc4 h LEU 83 Cb 0.14 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 3mc4 h LEU 83 CO -0.16 0.04 -0.23 0.03 -0.62 0.00 0.00 178.44 177.50 3mc4 h ARG 84 N 0.24 0.68 -0.52 1.25 3.08 -1.09 -1.04 114.38 116.98 3mc4 h ARG 84 Ca 0.22 -0.27 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 3mc4 h ARG 84 Cb 0.28 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3mc4 h ARG 84 CO -0.29 0.85 -0.14 0.28 -1.07 0.00 0.00 179.97 179.60 3mc4 h VAL 85 N 0.60 1.27 -0.66 2.04 2.07 -0.35 -0.87 116.25 120.35 3mc4 h VAL 85 Ca 0.08 -1.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.26 3mc4 h VAL 85 Cb 0.71 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3mc4 h VAL 85 CO 0.05 0.46 0.25 0.44 0.02 0.00 0.00 177.57 178.79 3mc4 h ASP 86 N 0.89 0.92 -0.35 0.57 3.32 -0.83 -1.06 116.42 119.88 3mc4 h ASP 86 Ca 0.13 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 3mc4 h ASP 86 Cb 0.71 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3mc4 h ASP 86 CO 0.05 0.85 0.08 0.40 -1.72 0.00 0.00 179.24 178.90 3mc4 h ILE 87 N 0.93 1.23 -0.08 0.35 2.04 -1.01 -2.92 117.51 118.05 3mc4 h ILE 87 Ca 0.22 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 3mc4 h ILE 87 Cb 0.23 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3mc4 h ILE 87 CO -0.02 0.26 0.01 -0.61 0.00 0.00 0.00 178.15 177.79 3mc4 h GLN 88 N 0.42 0.11 -0.61 2.37 5.75 -0.94 -2.41 115.11 119.79 3mc4 h GLN 88 Ca 0.11 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.53 3mc4 h GLN 88 Cb 0.31 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 3mc4 h GLN 88 CO 0.00 0.11 0.09 0.00 -2.65 0.00 0.00 178.83 176.38 3mc4 h ALA 89 N 1.91 0.80 -0.09 3.38 0.00 -1.01 -0.02 119.26 124.23 3mc4 h ALA 89 Ca 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3mc4 h ALA 89 Cb 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3mc4 h ALA 89 CO -0.00 0.57 -0.00 0.28 0.00 0.00 0.00 179.25 180.09 3mc4 h VAL 90 N 0.91 1.26 -0.47 0.00 2.07 -1.33 -1.25 116.25 117.45 3mc4 h VAL 90 Ca 0.18 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.93 3mc4 h VAL 90 Cb 0.44 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 3mc4 h VAL 90 CO 0.01 0.23 0.17 0.22 0.02 0.00 0.00 177.57 178.23 3mc4 h TYR 91 N -0.12 0.30 -0.16 1.57 5.03 -1.36 -1.02 116.97 121.21 3mc4 h TYR 91 Ca 0.03 0.02 -0.22 0.00 2.58 0.00 0.00 58.73 61.14 3mc4 h TYR 91 Cb 0.37 -0.06 0.01 0.00 1.55 0.00 0.00 36.73 38.59 3mc4 h TYR 91 CO 0.04 0.11 -0.77 -0.44 -1.32 0.00 0.00 178.16 175.77 3mc4 h ASP 92 N 0.35 0.96 0.60 -2.11 3.32 -0.99 -3.37 116.42 115.18 3mc4 h ASP 92 Ca 0.22 -0.62 -0.21 0.00 0.02 0.00 0.00 57.03 56.44 3mc4 h ASP 92 Cb 0.22 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3mc4 h ASP 92 CO -0.22 1.43 -1.54 0.54 -1.72 0.00 0.00 179.24 177.72 3mc4 n ARG 93 N -3.94 0.63 -3.39 3.56 1.74 -0.47 -4.81 116.66 109.97 3mc4 n ARG 93 Ca -0.07 0.24 -0.44 0.00 -0.77 0.00 0.00 57.85 56.80 3mc4 n ARG 93 Cb 0.74 -1.79 -0.07 0.00 -1.02 0.00 0.00 32.46 30.32 3mc4 n ARG 93 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3mc4 s ASP 94 N -5.85 6.09 0.43 0.55 -1.08 -0.39 -4.95 116.67 111.45 3mc4 s ASP 94 Ca -0.04 -1.53 0.30 0.00 -0.52 0.00 0.00 52.55 50.76 3mc4 s ASP 94 Cb 0.08 -2.16 1.46 0.00 -1.46 0.00 0.00 42.92 40.84 3mc4 s ASP 94 CO 0.82 -0.71 1.90 1.55 0.52 0.00 0.00 175.17 179.25 3mc4 h PRO 95 N 8.75 0.00 0.00 4.34 0.13 -1.87 -3.25 132.00 140.10 3mc4 h PRO 95 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3mc4 h PRO 95 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3mc4 h PRO 95 CO 0.92 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.69 3mc4 n ALA 96 N -1.90 1.95 -2.90 -0.56 0.00 -1.26 -4.69 120.51 111.16 3mc4 n ALA 96 Ca -0.01 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 3mc4 n ALA 96 Cb 0.14 -1.39 -0.15 0.00 0.00 0.00 0.00 19.45 18.05 3mc4 n ALA 96 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3mc4 s TYR 97 N -3.12 0.59 -0.48 0.00 2.02 -1.23 -5.07 117.35 110.06 3mc4 s TYR 97 Ca 0.09 -0.12 0.04 0.00 -0.37 0.00 0.00 57.07 56.71 3mc4 s TYR 97 Cb 0.12 -0.41 0.07 0.00 -0.40 0.00 0.00 41.96 41.34 3mc4 s TYR 97 CO 0.44 -0.04 0.83 -1.13 -1.57 0.00 0.00 175.55 174.08 3mc4 n SER 98 N 3.12 1.78 -4.32 2.29 3.41 -1.26 -4.91 113.62 113.73 3mc4 n SER 98 Ca -0.15 -1.52 -0.27 0.00 -0.26 0.00 0.00 58.87 56.67 3mc4 n SER 98 Cb 0.56 -0.04 -0.14 0.00 -0.26 0.00 0.00 64.21 64.34 3mc4 n SER 98 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3mc4 s ARG 99 N -0.63 1.42 0.45 4.33 0.52 -1.26 -5.01 118.95 118.77 3mc4 s ARG 99 Ca 0.07 -1.14 0.13 0.00 -0.52 0.00 0.00 55.73 54.27 3mc4 s ARG 99 Cb 0.04 -1.69 1.01 0.00 0.52 0.00 0.00 34.95 34.83 3mc4 s ARG 99 CO 0.06 0.42 2.02 0.74 0.02 0.00 0.00 175.30 178.56 3mc4 h PHE 100 N 4.41 0.10 0.00 -0.53 0.04 -1.94 -2.73 116.94 116.30 3mc4 h PHE 100 Ca -0.46 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.29 3mc4 h PHE 100 Cb 1.16 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.28 3mc4 h PHE 100 CO 0.55 0.19 -0.07 1.98 -0.60 0.00 0.00 178.31 180.36 3mc4 h MET 101 N 0.10 0.00 -0.08 1.51 4.05 -1.91 -3.35 114.93 115.26 3mc4 h MET 101 Ca 0.02 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3mc4 h MET 101 Cb 0.21 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.01 3mc4 h MET 101 CO 0.01 0.07 0.04 -0.44 0.23 0.00 0.00 176.91 176.81 3mc4 h ASP 102 N 0.00 0.11 -0.50 1.39 3.32 -1.91 -1.33 116.42 117.50 3mc4 h ASP 102 Ca -0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3mc4 h ASP 102 Cb 0.25 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3mc4 h ASP 102 CO 0.01 0.23 0.33 1.55 -1.72 0.00 0.00 179.24 179.64 3mc4 h PRO 103 N -0.01 0.67 -0.42 3.56 0.13 -1.78 -0.58 132.00 133.56 3mc4 h PRO 103 Ca 0.03 -0.04 0.05 0.00 -0.87 0.00 0.00 66.00 65.16 3mc4 h PRO 103 Cb 0.15 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 3mc4 h PRO 103 CO -0.00 0.45 0.17 0.28 -0.23 0.00 0.00 178.00 178.67 3mc4 h VAL 104 N 0.68 0.91 0.20 1.56 2.07 -1.69 -2.95 116.25 117.03 3mc4 h VAL 104 Ca 0.18 -0.12 -0.32 0.00 0.82 0.00 0.00 66.70 67.26 3mc4 h VAL 104 Cb -0.07 0.52 0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3mc4 h VAL 104 CO -0.04 0.07 -1.46 -0.07 0.02 0.00 0.00 177.57 176.09 3mc4 h LEU 105 N 0.36 0.65 0.00 2.57 3.38 -1.20 -3.45 115.31 117.62 3mc4 h LEU 105 Ca 0.19 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3mc4 h LEU 105 Cb 0.15 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3mc4 h LEU 105 CO -0.17 1.59 -0.91 -1.22 0.09 0.00 0.00 178.44 177.82 3mc4 n TYR 106 N -3.62 0.00 -3.25 1.13 4.01 -0.23 -5.03 117.16 110.17 3mc4 n TYR 106 Ca -0.15 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.18 3mc4 n TYR 106 Cb 1.07 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 40.03 3mc4 n TYR 106 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3mc4 s LEU 107 N -3.76 4.17 0.47 7.72 1.43 -1.12 -4.93 118.68 122.66 3mc4 s LEU 107 Ca 0.00 0.27 0.26 0.00 -1.03 0.00 0.00 54.13 53.63 3mc4 s LEU 107 Cb 0.00 -2.60 1.06 0.00 0.03 0.00 0.00 46.19 44.68 3mc4 s LEU 107 CO 0.00 -0.36 1.88 0.07 0.23 0.00 0.00 176.35 178.18 3mc4 h LYS 108 N 8.22 0.00 0.08 1.70 2.10 -1.89 -1.96 116.57 124.82 3mc4 h LYS 108 Ca -0.29 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.36 3mc4 h LYS 108 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3mc4 h LYS 108 CO 0.73 0.17 -0.04 0.78 -2.00 0.00 0.00 179.45 179.09 3mc4 h GLY 109 N 1.94 -0.11 0.95 0.07 0.00 -1.84 0.62 103.07 104.71 3mc4 h GLY 109 Ca -0.00 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.38 3mc4 h GLY 109 CO 0.02 -0.04 0.35 -2.75 0.00 0.00 0.00 176.54 174.13 3mc4 h PHE 110 N -0.11 0.67 -0.71 5.60 3.57 -1.57 -1.35 116.94 123.03 3mc4 h PHE 110 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3mc4 h PHE 110 Cb 0.09 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3mc4 h PHE 110 CO -0.07 0.40 0.40 0.45 -2.23 0.00 0.00 178.31 177.26 3mc4 h HIS 111 N 0.71 0.97 -0.65 0.41 3.86 -1.26 -3.02 115.15 116.16 3mc4 h HIS 111 Ca 0.21 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.37 3mc4 h HIS 111 Cb -0.04 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.09 3mc4 h HIS 111 CO -0.05 0.68 0.27 0.00 0.86 0.00 0.00 177.93 179.69 3mc4 h ALA 112 N 1.20 0.85 0.10 2.45 0.00 -0.24 0.25 119.26 123.87 3mc4 h ALA 112 Ca 0.25 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3mc4 h ALA 112 Cb 0.02 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 3mc4 h ALA 112 CO -0.04 0.46 -0.47 0.82 0.00 0.00 0.00 179.25 180.02 3mc4 h ILE 113 N 0.92 0.08 -0.62 0.00 2.04 -1.18 0.18 117.51 118.93 3mc4 h ILE 113 Ca 0.22 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.98 3mc4 h ILE 113 Cb 0.20 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 3mc4 h ILE 113 CO -0.02 0.00 0.02 1.56 0.00 0.00 0.00 178.15 179.71 3mc4 h GLN 114 N -0.69 1.09 -0.61 2.37 1.08 -1.48 -0.93 115.11 115.94 3mc4 h GLN 114 Ca 0.01 -0.34 0.09 0.00 -1.45 0.00 0.00 58.65 56.97 3mc4 h GLN 114 Cb 0.72 -0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.97 3mc4 h GLN 114 CO -0.28 1.04 0.23 1.15 -0.95 0.00 0.00 178.83 180.03 3mc4 h THR 115 N 0.99 0.78 -0.75 -0.54 2.02 -0.79 -1.77 112.91 112.85 3mc4 h THR 115 Ca 0.18 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.23 3mc4 h THR 115 Cb 0.54 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 3mc4 h THR 115 CO 0.03 0.08 0.49 -0.74 0.37 0.00 0.00 175.52 175.74 3mc4 h HIS 116 N 0.42 0.92 -0.70 3.16 -0.00 0.10 -0.68 115.15 118.38 3mc4 h HIS 116 Ca 0.30 0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.79 3mc4 h HIS 116 Cb 0.36 -0.31 -0.07 0.00 -0.00 0.00 0.00 27.41 27.39 3mc4 h HIS 116 CO -0.16 0.55 0.33 0.00 -0.00 0.00 0.00 177.93 178.66 3mc4 h ARG 117 N 0.98 0.55 0.09 5.26 3.08 -0.84 0.28 114.38 123.78 3mc4 h ARG 117 Ca 0.29 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 3mc4 h ARG 117 Cb -0.05 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3mc4 h ARG 117 CO -0.09 0.36 -0.04 1.25 -1.07 0.00 0.00 179.97 180.38 3mc4 h LEU 118 N 0.56 -0.10 -0.19 3.04 5.85 -0.73 -2.22 115.31 121.53 3mc4 h LEU 118 Ca 0.35 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3mc4 h LEU 118 Cb 0.38 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3mc4 h LEU 118 CO -0.28 0.13 -0.07 0.00 -0.34 0.00 0.00 178.44 177.88 3mc4 h ALA 119 N 0.54 0.10 -0.83 1.25 0.00 -0.73 0.26 119.26 119.85 3mc4 h ALA 119 Ca -0.01 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.08 3mc4 h ALA 119 Cb 0.29 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 3mc4 h ALA 119 CO 0.02 -0.50 0.46 1.25 0.00 0.00 0.00 179.25 180.48 3mc4 h HIS 120 N -0.04 0.82 -0.22 0.00 -0.00 -0.46 0.93 115.15 116.18 3mc4 h HIS 120 Ca 0.10 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.35 3mc4 h HIS 120 Cb 0.18 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.35 3mc4 h HIS 120 CO -0.23 0.30 -0.43 2.35 -0.00 0.00 0.00 177.93 179.92 3mc4 h TRP 121 N 0.74 0.87 -0.81 5.26 7.01 -0.73 -1.95 115.95 126.33 3mc4 h TRP 121 Ca 0.41 -0.31 0.02 0.00 2.11 0.00 0.00 58.89 61.13 3mc4 h TRP 121 Cb 0.44 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 27.29 3mc4 h TRP 121 CO -0.07 1.09 0.53 -0.07 -2.79 0.00 0.00 178.44 177.12 3mc4 h LEU 122 N 0.40 0.89 -0.07 0.65 3.38 -0.35 -0.85 115.31 119.35 3mc4 h LEU 122 Ca 0.01 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3mc4 h LEU 122 Cb 1.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3mc4 h LEU 122 CO 0.10 0.62 -0.06 0.22 0.09 0.00 0.00 178.44 179.41 3mc4 h TYR 123 N 1.04 -0.15 0.00 1.13 3.20 -0.72 0.40 116.97 121.87 3mc4 h TYR 123 Ca 0.32 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 3mc4 h TYR 123 Cb -0.03 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 3mc4 h TYR 123 CO -0.02 -0.10 -0.08 0.87 -1.64 0.00 0.00 178.16 177.19 3mc4 h LYS 124 N -0.08 0.00 0.00 1.82 6.56 -0.85 -1.17 116.57 122.86 3mc4 h LYS 124 Ca 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 3mc4 h LYS 124 Cb 0.15 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 3mc4 h LYS 124 CO -0.12 0.08 0.00 1.04 -2.06 0.00 0.00 179.45 178.40 3mc4 n GLN 125 N -4.06 0.24 -0.71 3.15 1.13 -0.37 -4.88 117.38 111.87 3mc4 n GLN 125 Ca -0.03 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 3mc4 n GLN 125 Cb 0.17 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.02 3mc4 n GLN 125 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mc4 n GLY 126 N 1.07 0.64 2.71 1.08 0.00 -0.44 -4.98 105.19 105.26 3mc4 n GLY 126 Ca 0.10 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3mc4 n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mc4 n ARG 127 N -2.71 4.27 -0.23 1.61 1.74 0.07 -4.81 116.66 116.60 3mc4 n ARG 127 Ca 0.00 -3.72 -0.07 0.00 -0.77 0.00 0.00 57.85 53.29 3mc4 n ARG 127 Cb 0.00 -2.72 0.04 0.00 -1.02 0.00 0.00 32.46 28.76 3mc4 n ARG 127 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3mc4 h LYS 128 N 5.12 1.01 -0.72 5.56 1.79 -1.83 -1.51 116.57 125.98 3mc4 h LYS 128 Ca 0.51 -0.22 -0.05 0.00 -2.18 0.00 0.00 60.65 58.71 3mc4 h LYS 128 Cb 0.47 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 3mc4 h LYS 128 CO 1.50 0.89 0.25 -0.44 -1.08 0.00 0.00 179.45 180.56 3mc4 h ASP 129 N 0.94 1.03 -0.29 0.86 3.32 -1.95 0.28 116.42 120.62 3mc4 h ASP 129 Ca 0.21 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3mc4 h ASP 129 Cb 0.30 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3mc4 h ASP 129 CO -0.01 0.95 -0.07 0.15 -1.72 0.00 0.00 179.24 178.55 3mc4 h PHE 130 N 1.06 0.73 -0.15 4.55 3.04 -1.85 -0.32 116.94 123.99 3mc4 h PHE 130 Ca 0.24 -0.11 -0.03 0.00 3.98 0.00 0.00 57.97 62.04 3mc4 h PHE 130 Cb 0.27 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 38.58 3mc4 h PHE 130 CO 0.02 0.73 -0.04 0.00 -2.02 0.00 0.00 178.31 177.00 3mc4 h ALA 131 N 1.30 0.21 -0.46 2.41 0.00 -0.49 -2.20 119.26 120.02 3mc4 h ALA 131 Ca 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3mc4 h ALA 131 Cb 0.49 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3mc4 h ALA 131 CO 0.03 -0.03 0.17 1.88 0.00 0.00 0.00 179.25 181.30 3mc4 h TYR 132 N -0.01 0.67 -0.23 0.00 0.05 -0.36 -1.14 116.97 115.96 3mc4 h TYR 132 Ca 0.04 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3mc4 h TYR 132 Cb 0.47 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 3mc4 h TYR 132 CO 0.05 0.53 0.14 -0.92 -1.05 0.00 0.00 178.16 176.92 3mc4 h TYR 133 N 0.66 0.29 -0.42 4.88 3.20 -0.82 0.22 116.97 124.99 3mc4 h TYR 133 Ca 0.16 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 3mc4 h TYR 133 Cb 0.15 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 3mc4 h TYR 133 CO 0.01 0.21 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.48 3mc4 h LEU 134 N 0.29 0.82 -0.45 2.82 3.38 -1.24 0.51 115.31 121.45 3mc4 h LEU 134 Ca 0.08 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.79 3mc4 h LEU 134 Cb -0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3mc4 h LEU 134 CO -0.02 0.99 0.27 -0.61 0.09 0.00 0.00 178.44 179.17 3mc4 h GLN 135 N 0.72 0.53 -0.50 1.13 4.15 -1.00 0.28 115.11 120.41 3mc4 h GLN 135 Ca 0.11 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 3mc4 h GLN 135 Cb 0.70 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 3mc4 h GLN 135 CO 0.05 0.35 0.15 1.03 -1.93 0.00 0.00 178.83 178.48 3mc4 h SER 136 N 0.54 0.74 -0.31 -0.69 0.87 -0.76 0.11 113.55 114.04 3mc4 h SER 136 Ca 0.18 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.44 3mc4 h SER 136 Cb -0.00 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3mc4 h SER 136 CO -0.07 0.76 -0.12 -0.09 -0.53 0.00 0.00 176.83 176.77 3mc4 h ARG 137 N 0.68 0.63 -0.50 2.24 9.65 -0.73 -1.98 114.38 124.37 3mc4 h ARG 137 Ca 0.16 -0.26 -0.02 0.00 -1.10 0.00 0.00 59.98 58.76 3mc4 h ARG 137 Cb 0.29 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.82 3mc4 h ARG 137 CO -0.00 0.84 0.24 1.03 2.80 0.00 0.00 179.97 184.87 3mc4 h SER 138 N 0.39 0.66 -0.98 -3.80 0.87 -0.37 0.14 113.55 110.45 3mc4 h SER 138 Ca 0.07 -0.13 0.08 0.00 -1.23 0.00 0.00 61.79 60.59 3mc4 h SER 138 Cb 0.63 -0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 62.35 3mc4 h SER 138 CO 0.04 0.60 0.63 -1.28 -0.53 0.00 0.00 176.83 176.29 3mc4 h SER 139 N 0.66 0.97 0.34 6.23 0.87 -0.21 0.14 113.55 122.54 3mc4 h SER 139 Ca 0.17 0.02 -0.32 0.00 -1.23 0.00 0.00 61.79 60.43 3mc4 h SER 139 Cb 0.12 -0.18 0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3mc4 h SER 139 CO -0.02 0.59 -1.42 -1.28 -0.53 0.00 0.00 176.83 174.16 3mc4 h SER 140 N 1.08 0.76 0.17 6.23 0.87 -0.88 -2.47 113.55 119.31 3mc4 h SER 140 Ca 0.44 -0.81 -0.35 0.00 -1.23 0.00 0.00 61.79 59.84 3mc4 h SER 140 Cb 0.28 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 61.94 3mc4 h SER 140 CO -0.19 1.63 -2.13 -0.38 -0.53 0.00 0.00 176.83 175.23 3mc4 n ILE 141 N -3.68 1.56 0.61 2.23 2.08 0.46 -4.43 119.36 118.19 3mc4 n ILE 141 Ca -0.15 -0.74 0.06 0.00 0.56 0.00 0.00 62.75 62.49 3mc4 n ILE 141 Cb 1.09 -1.11 -0.06 0.00 -0.75 0.00 0.00 39.64 38.81 3mc4 n ILE 141 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 3mc4 n PHE 142 N -3.10 0.00 -2.31 1.39 3.72 0.40 -5.00 117.46 112.56 3mc4 n PHE 142 Ca -0.31 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 56.92 3mc4 n PHE 142 Cb 1.07 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.60 3mc4 n PHE 142 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3mc4 n GLN 143 N -1.07 -1.40 -4.11 -1.08 3.00 -0.78 -4.49 117.38 107.46 3mc4 n GLN 143 Ca 0.03 0.86 -0.33 0.00 -0.01 0.00 0.00 57.00 57.55 3mc4 n GLN 143 Cb 0.22 -5.33 -0.16 0.00 0.00 0.00 0.00 30.24 24.97 3mc4 n GLN 143 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 3mc4 s THR 144 N -2.87 2.12 -0.67 5.09 -4.23 -1.21 -0.13 115.64 113.74 3mc4 s THR 144 Ca 0.00 -1.01 -0.06 0.00 -1.18 0.00 0.00 61.69 59.44 3mc4 s THR 144 Cb 0.00 -1.93 0.17 0.00 1.34 0.00 0.00 72.50 72.08 3mc4 s THR 144 CO 0.00 0.47 0.52 -0.62 -0.54 0.00 0.00 174.62 174.45 3mc4 s ASP 145 N 1.27 5.68 -0.26 3.99 -1.08 0.52 -2.09 116.67 124.70 3mc4 s ASP 145 Ca 0.03 -2.74 -0.06 0.00 -0.52 0.00 0.00 52.55 49.26 3mc4 s ASP 145 Cb -0.14 -1.96 -0.01 0.00 -1.46 0.00 0.00 42.92 39.35 3mc4 s ASP 145 CO -0.12 -0.45 0.04 -0.63 0.52 0.00 0.00 175.17 174.54 3mc4 s ILE 146 N 0.10 3.92 0.26 4.11 1.01 -1.26 -0.25 121.20 129.09 3mc4 s ILE 146 Ca 0.16 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 3mc4 s ILE 146 Cb -0.18 -2.90 -0.10 0.00 0.01 0.00 0.00 42.46 39.29 3mc4 s ILE 146 CO -0.05 0.25 1.36 -2.28 0.00 0.00 0.00 174.94 174.23 3mc4 s HIS 147 N 1.53 3.10 0.66 3.97 5.65 -0.17 -4.84 115.29 125.19 3mc4 s HIS 147 Ca 0.05 1.20 0.41 0.00 0.25 0.00 0.00 55.06 56.96 3mc4 s HIS 147 Cb -0.16 -3.72 2.24 0.00 -1.18 0.00 0.00 32.58 29.77 3mc4 s HIS 147 CO 0.01 -2.20 2.28 -1.35 -0.65 0.00 0.00 174.74 172.83 3mc4 h PRO 148 N 4.64 0.00 0.00 2.88 0.11 -1.91 -0.27 132.00 137.44 3mc4 h PRO 148 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3mc4 h PRO 148 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3mc4 h PRO 148 CO 0.74 0.00 -0.29 0.00 -0.21 0.00 0.00 178.00 178.24 3mc4 n ALA 149 N -2.06 2.94 -1.53 -0.75 0.00 -1.26 -3.81 120.51 114.04 3mc4 n ALA 149 Ca -0.03 -0.22 -0.36 0.00 0.00 0.00 0.00 53.44 52.83 3mc4 n ALA 149 Cb 0.14 -1.28 0.08 0.00 0.00 0.00 0.00 19.45 18.39 3mc4 n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mc4 s ALA 150 N -3.02 2.22 -0.11 0.00 0.00 -0.12 -4.77 121.76 115.97 3mc4 s ALA 150 Ca 0.12 1.07 0.03 0.00 0.00 0.00 0.00 51.96 53.18 3mc4 s ALA 150 Cb 0.17 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 3mc4 s ALA 150 CO 0.63 -1.79 -0.23 1.03 0.00 0.00 0.00 175.76 175.41 3mc4 s ARG 151 N -3.63 3.09 -0.12 0.00 0.52 -0.92 -4.95 118.95 112.93 3mc4 s ARG 151 Ca 0.79 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 55.16 3mc4 s ARG 151 Cb -0.34 -2.35 0.01 0.00 0.52 0.00 0.00 34.95 32.80 3mc4 s ARG 151 CO 0.43 0.17 -0.17 -0.51 0.02 0.00 0.00 175.30 175.24 3mc4 s LEU 152 N 0.37 1.84 0.00 2.53 1.43 -1.26 -0.55 118.68 123.04 3mc4 s LEU 152 Ca -0.17 -0.49 -0.10 0.00 -1.03 0.00 0.00 54.13 52.34 3mc4 s LEU 152 Cb -0.18 -1.21 0.14 0.00 0.03 0.00 0.00 46.19 44.97 3mc4 s LEU 152 CO 0.08 0.03 0.55 0.61 0.23 0.00 0.00 176.35 177.85 3mc4 n GLY 153 N 4.24 -2.41 3.97 -3.19 0.00 0.24 -4.98 105.19 103.06 3mc4 n GLY 153 Ca -0.19 -1.50 -0.21 0.00 0.00 0.00 0.00 46.02 44.12 3mc4 n GLY 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mc4 s SER 154 N -3.01 5.64 -1.44 1.61 1.04 -1.26 -4.30 113.70 111.99 3mc4 s SER 154 Ca 0.35 0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.80 3mc4 s SER 154 Cb -0.03 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 64.93 3mc4 s SER 154 CO 0.26 -0.82 0.16 0.61 0.98 0.00 0.00 173.24 174.43 3mc4 n GLY 155 N -2.08 -0.34 3.76 7.32 0.00 -1.26 -0.84 105.19 111.74 3mc4 n GLY 155 Ca 0.04 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3mc4 n GLY 155 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mc4 s LEU 156 N -5.22 4.38 -0.26 0.99 2.96 -1.26 -3.31 118.68 116.96 3mc4 s LEU 156 Ca 0.08 1.07 0.03 0.00 -0.22 0.00 0.00 54.13 55.08 3mc4 s LEU 156 Cb -0.03 -2.85 0.06 0.00 0.50 0.00 0.00 46.19 43.86 3mc4 s LEU 156 CO 0.10 0.08 -0.11 0.12 -1.32 0.00 0.00 176.35 175.22 3mc4 s PHE 157 N -0.02 3.25 -0.72 5.38 5.36 -0.65 -4.82 117.98 125.77 3mc4 s PHE 157 Ca 0.30 -2.28 -0.13 0.00 -0.96 0.00 0.00 56.93 53.86 3mc4 s PHE 157 Cb -0.17 -1.94 0.19 0.00 -0.34 0.00 0.00 43.02 40.76 3mc4 s PHE 157 CO 0.15 -0.87 0.64 -0.51 -1.46 0.00 0.00 175.22 173.17 3mc4 s LEU 158 N 1.11 6.40 -0.22 6.12 1.02 -1.26 -0.06 118.68 131.80 3mc4 s LEU 158 Ca -0.08 -2.46 -0.22 0.00 0.02 0.00 0.00 54.13 51.39 3mc4 s LEU 158 Cb -0.20 -2.16 -0.02 0.00 0.02 0.00 0.00 46.19 43.84 3mc4 s LEU 158 CO -0.05 -0.62 0.68 -0.62 0.02 0.00 0.00 176.35 175.76 3mc4 s ASP 159 N 2.34 6.70 0.00 2.29 2.15 0.41 -4.16 116.67 126.40 3mc4 s ASP 159 Ca 0.14 0.86 0.00 0.00 0.43 0.00 0.00 52.55 53.98 3mc4 s ASP 159 Cb -0.17 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 3mc4 s ASP 159 CO -0.05 -0.35 0.00 1.41 -0.17 0.00 0.00 175.17 176.01 3mc4 n HIS 160 N 5.41 0.00 0.00 -5.34 8.25 -1.26 -1.76 115.22 120.52 3mc4 n HIS 160 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3mc4 n HIS 160 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 3mc4 n HIS 160 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mc4 n ALA 161 N 0.00 0.00 -1.71 -1.41 0.00 -1.26 -4.69 120.51 111.44 3mc4 n ALA 161 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 53.44 52.85 3mc4 n ALA 161 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3mc4 n ALA 161 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3mc4 n THR 162 N -0.46 0.28 -0.60 0.00 -1.04 -1.26 -1.37 114.28 109.83 3mc4 n THR 162 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3mc4 n THR 162 Cb 0.00 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 3mc4 n THR 162 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mc4 n GLY 163 N 4.24 0.75 3.66 3.41 0.00 0.82 -0.20 105.19 117.87 3mc4 n GLY 163 Ca 0.27 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.82 3mc4 n GLY 163 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3mc4 n LEU 164 N 0.00 2.89 -3.97 0.99 7.94 -0.47 -4.24 117.00 120.14 3mc4 n LEU 164 Ca 0.00 1.07 -0.27 0.00 -1.11 0.00 0.00 56.01 55.71 3mc4 n LEU 164 Cb 0.00 -1.37 -0.17 0.00 0.53 0.00 0.00 43.42 42.41 3mc4 n LEU 164 CO 0.00 -0.38 -0.46 -0.69 -1.11 0.00 0.00 177.39 174.75 3mc4 s VAL 165 N 1.32 1.18 -0.13 1.96 1.01 -0.76 -0.36 120.40 124.63 3mc4 s VAL 165 Ca 0.82 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.37 3mc4 s VAL 165 Cb -0.74 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 34.54 3mc4 s VAL 165 CO 0.42 0.38 -0.09 -0.69 0.00 0.00 0.00 175.10 175.13 3mc4 s VAL 166 N 1.31 1.15 0.68 2.92 1.01 0.66 0.07 120.40 128.20 3mc4 s VAL 166 Ca -0.02 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 3mc4 s VAL 166 Cb -0.14 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 3mc4 s VAL 166 CO -0.05 0.36 1.06 -0.83 0.00 0.00 0.00 175.10 175.64 3mc4 s GLY 167 N 1.65 1.71 0.41 4.51 0.00 0.06 -1.00 107.32 114.66 3mc4 s GLY 167 Ca 0.04 0.09 0.21 0.00 0.00 0.00 0.00 44.72 45.07 3mc4 s GLY 167 CO -0.09 0.40 1.75 -2.09 0.00 0.00 0.00 173.10 173.07 3mc4 h GLU 168 N -0.57 0.32 -0.29 2.90 4.81 -1.89 -2.10 114.58 117.75 3mc4 h GLU 168 Ca -0.44 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3mc4 h GLU 168 Cb 1.21 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3mc4 h GLU 168 CO 0.57 0.21 0.00 0.25 -0.73 0.00 0.00 179.01 179.31 3mc4 n THR 169 N -4.62 1.17 -2.20 0.32 -2.24 -1.26 -3.13 114.28 102.32 3mc4 n THR 169 Ca 0.27 -1.13 -0.35 0.00 -2.27 0.00 0.00 64.05 60.58 3mc4 n THR 169 Cb 0.98 0.39 0.01 0.00 -2.10 0.00 0.00 70.33 69.61 3mc4 n THR 169 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mc4 s ALA 170 N -1.26 2.68 -0.02 6.98 0.00 -0.79 -4.57 121.76 124.79 3mc4 s ALA 170 Ca 0.23 0.74 -0.00 0.00 0.00 0.00 0.00 51.96 52.92 3mc4 s ALA 170 Cb 0.14 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.94 3mc4 s ALA 170 CO 0.13 -0.80 0.04 0.08 0.00 0.00 0.00 175.76 175.21 3mc4 s VAL 171 N -1.91 -0.04 -0.17 0.00 1.01 -0.92 -2.16 120.40 116.21 3mc4 s VAL 171 Ca 0.71 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.83 3mc4 s VAL 171 Cb -0.22 -0.08 0.04 0.00 0.00 0.00 0.00 36.38 36.12 3mc4 s VAL 171 CO 0.29 0.06 -0.09 -0.69 0.00 0.00 0.00 175.10 174.66 3mc4 s VAL 172 N 0.73 1.41 0.59 2.92 1.01 0.29 -0.42 120.40 126.93 3mc4 s VAL 172 Ca -0.06 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 3mc4 s VAL 172 Cb -0.09 -1.48 0.14 0.00 0.00 0.00 0.00 36.38 34.96 3mc4 s VAL 172 CO -0.02 0.23 0.67 -0.62 0.00 0.00 0.00 175.10 175.35 3mc4 n GLU 173 N 4.78 -1.37 -1.79 2.72 1.02 0.12 0.82 120.64 126.95 3mc4 n GLU 173 Ca -0.14 -1.04 -0.33 0.00 -0.02 0.00 0.00 57.16 55.63 3mc4 n GLU 173 Cb 0.48 -0.81 0.04 0.00 -0.02 0.00 0.00 31.44 31.13 3mc4 n GLU 173 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3mc4 s ASP 174 N -3.41 5.25 -1.38 1.62 1.01 -1.26 -4.04 116.67 114.46 3mc4 s ASP 174 Ca 0.40 1.93 -0.08 0.00 0.71 0.00 0.00 52.55 55.51 3mc4 s ASP 174 Cb -0.02 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.40 3mc4 s ASP 174 CO 0.29 -1.53 1.02 0.59 0.21 0.00 0.00 175.17 175.75 3mc4 n ASN 175 N -2.42 -4.46 -4.80 0.27 5.03 -0.02 -1.75 115.26 107.11 3mc4 n ASN 175 Ca 0.10 -0.67 -0.32 0.00 0.87 0.00 0.00 54.58 54.56 3mc4 n ASN 175 Cb 0.52 -4.55 -0.06 0.00 -1.02 0.00 0.00 39.78 34.67 3mc4 n ASN 175 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3mc4 s VAL 176 N -3.37 4.73 -0.06 2.41 1.01 -1.21 -2.88 120.40 121.02 3mc4 s VAL 176 Ca 0.44 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.90 3mc4 s VAL 176 Cb -0.20 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 3mc4 s VAL 176 CO 0.77 0.22 -0.24 -0.44 0.00 0.00 0.00 175.10 175.41 3mc4 s SER 177 N -2.13 3.11 -0.06 3.32 0.01 -0.56 -1.64 113.70 115.74 3mc4 s SER 177 Ca 0.27 -0.51 0.02 0.00 1.31 0.00 0.00 55.95 57.05 3mc4 s SER 177 Cb -0.12 -0.92 0.01 0.00 0.21 0.00 0.00 66.02 65.20 3mc4 s SER 177 CO 0.19 0.24 -0.12 -0.63 0.41 0.00 0.00 173.24 173.33 3mc4 s ILE 178 N -0.11 1.15 0.74 1.44 1.01 0.92 -0.58 121.20 125.77 3mc4 s ILE 178 Ca -0.05 -0.49 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 3mc4 s ILE 178 Cb -0.14 -1.04 0.08 0.00 0.01 0.00 0.00 42.46 41.36 3mc4 s ILE 178 CO 0.04 0.36 1.06 -0.76 0.00 0.00 0.00 174.94 175.64 3mc4 s LEU 179 N 0.62 2.76 0.83 2.97 2.01 -0.28 -0.45 118.68 127.14 3mc4 s LEU 179 Ca -0.14 0.46 -0.14 0.00 0.01 0.00 0.00 54.13 54.31 3mc4 s LEU 179 Cb -0.15 -3.02 0.01 0.00 0.01 0.00 0.00 46.19 43.04 3mc4 s LEU 179 CO 0.04 -1.75 0.58 0.00 1.01 0.00 0.00 176.35 176.23 3mc4 n HIS 180 N -3.05 -0.75 -0.96 0.29 1.44 -0.72 -3.76 115.22 107.71 3mc4 n HIS 180 Ca 0.09 0.31 0.00 0.00 -2.01 0.00 0.00 57.72 56.11 3mc4 n HIS 180 Cb 0.60 -1.89 0.00 0.00 0.12 0.00 0.00 29.99 28.82 3mc4 n HIS 180 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3mc4 n GLY 181 N 1.42 0.41 3.74 -1.39 0.00 0.72 -1.88 105.19 108.21 3mc4 n GLY 181 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3mc4 n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mc4 s VAL 182 N -1.98 4.86 -0.20 1.61 1.01 -1.25 -3.72 120.40 120.73 3mc4 s VAL 182 Ca 0.00 1.52 -0.06 0.00 0.00 0.00 0.00 61.98 63.44 3mc4 s VAL 182 Cb 0.00 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3mc4 s VAL 182 CO 0.00 0.34 0.03 -0.89 0.00 0.00 0.00 175.10 174.58 3mc4 s THR 183 N 0.19 4.28 -0.78 3.92 2.01 -0.26 -1.83 115.64 123.17 3mc4 s THR 183 Ca 0.37 -0.20 -0.04 0.00 0.31 0.00 0.00 61.69 62.12 3mc4 s THR 183 Cb -0.19 -2.94 0.20 0.00 0.01 0.00 0.00 72.50 69.58 3mc4 s THR 183 CO 0.21 0.42 0.65 -0.76 -0.69 0.00 0.00 174.62 174.45 3mc4 s LEU 184 N 0.88 5.65 0.00 4.42 1.43 0.11 -1.08 118.68 130.09 3mc4 s LEU 184 Ca 0.02 -3.20 0.00 0.00 -1.03 0.00 0.00 54.13 49.92 3mc4 s LEU 184 Cb -0.14 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.13 3mc4 s LEU 184 CO 0.02 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.89 3mc4 n GLY 185 N 3.08 5.64 3.34 -3.19 0.00 -0.70 -0.76 105.19 112.60 3mc4 n GLY 185 Ca 0.15 -1.47 -0.18 0.00 0.00 0.00 0.00 46.02 44.52 3mc4 n GLY 185 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mc4 s GLY 186 N 0.00 1.54 -0.83 -0.02 0.00 -1.26 -0.93 107.32 105.81 3mc4 s GLY 186 Ca 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 44.72 42.92 3mc4 s GLY 186 CO 0.00 -1.70 0.73 -0.37 0.00 0.00 0.00 173.10 171.76 3mc4 n THR 187 N -0.42 -7.42 0.00 0.90 5.66 -1.26 -4.66 114.28 107.08 3mc4 n THR 187 Ca -0.06 -1.05 0.00 0.00 -3.05 0.00 0.00 64.05 59.89 3mc4 n THR 187 Cb 0.63 -5.76 0.00 0.00 -1.55 0.00 0.00 70.33 63.65 3mc4 n THR 187 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3mc4 n GLY 192 N -1.28 0.00 3.57 1.09 0.00 -1.26 -4.22 105.19 103.09 3mc4 n GLY 192 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 3mc4 n GLY 192 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mc4 s ASP 193 N 0.00 5.40 0.00 1.61 -1.08 -1.26 -4.77 116.67 116.57 3mc4 s ASP 193 Ca 0.00 0.84 0.00 0.00 -0.52 0.00 0.00 52.55 52.87 3mc4 s ASP 193 Cb 0.00 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 3mc4 s ASP 193 CO 0.00 -2.18 0.31 -2.11 0.52 0.00 0.00 175.17 171.71 3mc4 n ARG 194 N 8.86 0.00 -4.31 4.34 1.85 -1.26 -4.58 116.66 121.56 3mc4 n ARG 194 Ca 0.24 -0.31 -0.18 0.00 -1.00 0.00 0.00 57.85 56.60 3mc4 n ARG 194 Cb 0.50 -0.43 -0.10 0.00 -1.05 0.00 0.00 32.46 31.38 3mc4 n ARG 194 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3mc4 s HIS 195 N 0.00 1.60 0.71 2.89 3.76 -1.25 -2.85 115.29 120.16 3mc4 s HIS 195 Ca 0.00 -0.58 -0.15 0.00 -0.15 0.00 0.00 55.06 54.18 3mc4 s HIS 195 Cb 0.00 -0.78 0.03 0.00 1.11 0.00 0.00 32.58 32.94 3mc4 s HIS 195 CO 0.00 0.28 1.15 -2.14 -0.85 0.00 0.00 174.74 173.18 3mc4 s PRO 196 N -3.38 2.40 -0.24 8.40 0.02 -0.57 -4.22 135.00 137.42 3mc4 s PRO 196 Ca 0.18 1.55 -0.04 0.00 0.02 0.00 0.00 61.00 62.72 3mc4 s PRO 196 Cb -0.02 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.62 3mc4 s PRO 196 CO 0.05 -1.59 -0.03 0.15 -0.33 0.00 0.00 177.00 175.25 3mc4 s LYS 197 N -4.07 3.20 -0.29 5.54 -0.14 -0.28 -2.16 119.74 121.54 3mc4 s LYS 197 Ca 0.70 -0.75 -0.10 0.00 -1.36 0.00 0.00 55.97 54.46 3mc4 s LYS 197 Cb -0.24 -3.06 -0.03 0.00 -1.68 0.00 0.00 37.83 32.82 3mc4 s LYS 197 CO 0.44 -0.29 0.17 0.42 -0.76 0.00 0.00 175.35 175.34 3mc4 s ILE 198 N 1.44 4.98 0.75 2.17 -1.09 0.44 -1.57 121.20 128.32 3mc4 s ILE 198 Ca 0.04 -0.09 -0.12 0.00 -2.23 0.00 0.00 60.65 58.26 3mc4 s ILE 198 Cb -0.15 -3.43 0.04 0.00 -1.58 0.00 0.00 42.46 37.33 3mc4 s ILE 198 CO -0.03 0.18 1.11 -0.13 -1.23 0.00 0.00 174.94 174.84 3mc4 s ARG 199 N 1.70 2.51 0.31 2.79 1.81 -0.72 -0.70 118.95 126.65 3mc4 s ARG 199 Ca 0.06 0.43 -0.29 0.00 -1.72 0.00 0.00 55.73 54.21 3mc4 s ARG 199 Cb -0.16 -1.98 -0.12 0.00 -0.45 0.00 0.00 34.95 32.23 3mc4 s ARG 199 CO 0.09 -1.27 1.49 0.00 -0.68 0.00 0.00 175.30 174.92 3mc4 n GLN 200 N -3.16 2.49 -0.73 3.54 -0.00 -1.26 -3.18 117.38 115.08 3mc4 n GLN 200 Ca 0.07 0.88 0.00 0.00 -0.00 0.00 0.00 57.00 57.95 3mc4 n GLN 200 Cb 0.58 -2.60 0.00 0.00 -0.00 0.00 0.00 30.24 28.22 3mc4 n GLN 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3mc4 n GLY 201 N 1.54 0.80 3.77 2.61 0.00 -0.72 -4.48 105.19 108.72 3mc4 n GLY 201 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3mc4 n GLY 201 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mc4 s VAL 202 N -3.04 2.77 -0.13 1.61 1.01 -1.19 -4.45 120.40 116.98 3mc4 s VAL 202 Ca 0.00 0.75 -0.02 0.00 0.00 0.00 0.00 61.98 62.71 3mc4 s VAL 202 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 3mc4 s VAL 202 CO 0.00 0.16 -0.06 -0.22 0.00 0.00 0.00 175.10 174.97 3mc4 s LEU 203 N -1.97 3.13 -0.29 3.92 2.96 -0.48 -1.50 118.68 124.45 3mc4 s LEU 203 Ca 0.51 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.29 3mc4 s LEU 203 Cb -0.38 -1.73 0.06 0.00 0.50 0.00 0.00 46.19 44.64 3mc4 s LEU 203 CO 0.50 0.21 -0.05 -0.63 -1.32 0.00 0.00 176.35 175.06 3mc4 s ILE 204 N 0.10 2.48 1.17 6.68 1.01 0.26 -0.91 121.20 132.00 3mc4 s ILE 204 Ca -0.02 -1.64 -0.19 0.00 0.00 0.00 0.00 60.65 58.80 3mc4 s ILE 204 Cb -0.14 -2.50 0.28 0.00 0.01 0.00 0.00 42.46 40.11 3mc4 s ILE 204 CO 0.03 -0.13 1.13 -0.83 0.00 0.00 0.00 174.94 175.14 3mc4 s GLY 205 N 1.16 1.61 0.16 6.18 0.00 0.11 -1.13 107.32 115.41 3mc4 s GLY 205 Ca -0.05 -0.98 -0.30 0.00 0.00 0.00 0.00 44.72 43.39 3mc4 s GLY 205 CO -0.04 -0.11 1.22 0.00 0.00 0.00 0.00 173.10 174.17 3mc4 s ALA 206 N -3.11 3.45 0.00 3.20 0.00 -1.26 -2.91 121.76 121.13 3mc4 s ALA 206 Ca 0.71 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.63 3mc4 s ALA 206 Cb -0.09 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3mc4 s ALA 206 CO 0.56 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.32 3mc4 n GLY 207 N 2.44 1.10 3.74 0.00 0.00 -0.79 -0.79 105.19 110.89 3mc4 n GLY 207 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3mc4 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mc4 s ALA 208 N -3.34 3.43 -0.25 4.61 0.00 -1.14 -4.44 121.76 120.62 3mc4 s ALA 208 Ca 0.00 0.95 -0.03 0.00 0.00 0.00 0.00 51.96 52.87 3mc4 s ALA 208 Cb 0.00 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.74 3mc4 s ALA 208 CO 0.00 -0.33 -0.02 0.15 0.00 0.00 0.00 175.76 175.56 3mc4 s LYS 209 N -0.59 3.00 -0.29 0.00 3.01 0.11 -1.10 119.74 123.87 3mc4 s LYS 209 Ca 0.51 -0.88 -0.01 0.00 -1.01 0.00 0.00 55.97 54.57 3mc4 s LYS 209 Cb -0.33 -3.08 0.05 0.00 -1.01 0.00 0.00 37.83 33.46 3mc4 s LYS 209 CO 0.38 -0.37 -0.02 0.42 0.51 0.00 0.00 175.35 176.27 3mc4 s ILE 210 N 1.40 2.85 -0.06 2.17 1.09 -0.24 0.48 121.20 128.88 3mc4 s ILE 210 Ca 0.02 -1.40 0.05 0.00 -1.10 0.00 0.00 60.65 58.21 3mc4 s ILE 210 Cb -0.16 -2.63 -0.00 0.00 -1.06 0.00 0.00 42.46 38.60 3mc4 s ILE 210 CO -0.03 -0.08 -0.22 -0.76 -0.10 0.00 0.00 174.94 173.76 3mc4 s LEU 211 N 1.23 2.00 0.00 2.97 1.43 -0.49 -1.72 118.68 124.10 3mc4 s LEU 211 Ca -0.06 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 3mc4 s LEU 211 Cb -0.20 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.79 3mc4 s LEU 211 CO -0.02 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.36 3mc4 n GLY 212 N 3.19 1.30 3.26 -3.19 0.00 -0.11 -4.59 105.19 105.06 3mc4 n GLY 212 Ca -0.18 -2.04 -0.39 0.00 0.00 0.00 0.00 46.02 43.41 3mc4 n GLY 212 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3mc4 n ASN 213 N 0.00 3.56 -4.28 1.61 5.15 -1.13 -1.51 115.26 118.66 3mc4 n ASN 213 Ca 0.00 -2.78 -0.16 0.00 -0.60 0.00 0.00 54.58 51.05 3mc4 n ASN 213 Cb 0.00 -1.56 -0.10 0.00 -0.53 0.00 0.00 39.78 37.59 3mc4 n ASN 213 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3mc4 s ILE 214 N 6.02 1.36 0.11 -1.44 -4.36 -1.26 -4.97 121.20 116.65 3mc4 s ILE 214 Ca 0.57 -2.11 0.07 0.00 -0.26 0.00 0.00 60.65 58.92 3mc4 s ILE 214 Cb 0.08 -1.92 -0.04 0.00 1.25 0.00 0.00 42.46 41.83 3mc4 s ILE 214 CO 0.07 -0.70 -0.12 0.00 0.24 0.00 0.00 174.94 174.44 3mc4 s GLN 215 N -3.71 2.06 -0.32 0.37 -2.07 -1.26 -1.12 119.66 113.61 3mc4 s GLN 215 Ca 0.19 -1.05 -0.07 0.00 -1.82 0.00 0.00 55.36 52.60 3mc4 s GLN 215 Cb 0.01 -2.27 0.02 0.00 -1.09 0.00 0.00 33.01 29.69 3mc4 s GLN 215 CO 0.03 0.50 0.10 0.08 -1.32 0.00 0.00 175.29 174.67 3mc4 s VAL 216 N -1.20 3.93 1.03 3.63 1.01 -0.61 -0.71 120.40 127.47 3mc4 s VAL 216 Ca 0.21 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 3mc4 s VAL 216 Cb -0.11 -3.11 0.21 0.00 0.00 0.00 0.00 36.38 33.37 3mc4 s VAL 216 CO 0.13 -0.03 1.08 -0.83 0.00 0.00 0.00 175.10 175.45 3mc4 s GLY 217 N 1.47 1.60 -0.52 4.51 0.00 0.33 -1.75 107.32 112.96 3mc4 s GLY 217 Ca 0.01 0.10 -0.26 0.00 0.00 0.00 0.00 44.72 44.57 3mc4 s GLY 217 CO 0.03 0.68 1.81 0.61 0.00 0.00 0.00 173.10 176.22 3mc4 n GLN 218 N -4.47 0.84 0.00 2.90 10.64 -1.26 -4.57 117.38 121.45 3mc4 n GLN 218 Ca 0.07 -1.55 0.00 0.00 -1.83 0.00 0.00 57.00 53.68 3mc4 n GLN 218 Cb 0.54 -2.88 0.00 0.00 -0.86 0.00 0.00 30.24 27.04 3mc4 n GLN 218 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3mc4 n SER 220 N 9.33 0.00 -4.11 2.61 7.64 -1.26 -0.99 113.62 126.84 3mc4 n SER 220 Ca 0.48 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 60.11 3mc4 n SER 220 Cb 0.42 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.46 3mc4 n SER 220 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3mc4 s LYS 221 N -2.11 1.53 -0.27 1.43 1.02 -0.30 -1.38 119.74 119.66 3mc4 s LYS 221 Ca 0.00 -0.53 -0.06 0.00 0.02 0.00 0.00 55.97 55.39 3mc4 s LYS 221 Cb 0.00 -1.36 -0.00 0.00 -0.52 0.00 0.00 37.83 35.94 3mc4 s LYS 221 CO 0.00 0.23 0.05 0.42 -0.92 0.00 0.00 175.35 175.13 3mc4 s ILE 222 N 0.01 3.92 0.63 2.17 -1.09 -0.09 -1.32 121.20 125.43 3mc4 s ILE 222 Ca -0.02 -0.52 -0.16 0.00 -2.23 0.00 0.00 60.65 57.72 3mc4 s ILE 222 Cb -0.10 -2.92 -0.02 0.00 -1.58 0.00 0.00 42.46 37.84 3mc4 s ILE 222 CO 0.01 0.22 1.10 0.00 -1.23 0.00 0.00 174.94 175.05 3mc4 s ALA 223 N 1.52 2.55 0.22 9.38 0.00 0.23 -0.71 121.76 134.95 3mc4 s ALA 223 Ca 0.04 0.56 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 3mc4 s ALA 223 Cb -0.16 -3.31 -0.15 0.00 0.00 0.00 0.00 23.12 19.50 3mc4 s ALA 223 CO 0.01 -1.11 1.03 0.00 0.00 0.00 0.00 175.76 175.69 3mc4 n ALA 224 N -2.17 -0.84 -0.93 0.00 0.00 -1.26 -2.08 120.51 113.23 3mc4 n ALA 224 Ca 0.10 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3mc4 n ALA 224 Cb 0.52 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.00 3mc4 n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mc4 n GLY 225 N 1.69 0.57 3.76 0.00 0.00 0.03 -4.75 105.19 106.49 3mc4 n GLY 225 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3mc4 n GLY 225 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mc4 s SER 226 N -2.41 5.93 -0.31 1.61 0.01 -0.88 -4.70 113.70 112.95 3mc4 s SER 226 Ca 0.00 2.70 -0.00 0.00 1.31 0.00 0.00 55.95 59.96 3mc4 s SER 226 Cb 0.00 -2.64 0.07 0.00 0.21 0.00 0.00 66.02 63.66 3mc4 s SER 226 CO 0.00 -1.11 0.01 -0.69 0.41 0.00 0.00 173.24 171.86 3mc4 s VAL 227 N -1.29 2.78 -0.28 3.43 1.01 -0.88 -0.71 120.40 124.46 3mc4 s VAL 227 Ca 0.62 -1.63 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 3mc4 s VAL 227 Cb -0.39 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 3mc4 s VAL 227 CO 0.49 -0.22 0.08 -0.69 0.00 0.00 0.00 175.10 174.75 3mc4 s VAL 228 N 1.17 4.11 0.00 2.92 1.01 0.18 -0.64 120.40 129.15 3mc4 s VAL 228 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3mc4 s VAL 228 Cb -0.20 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3mc4 s VAL 228 CO -0.03 0.19 0.53 0.18 0.00 0.00 0.00 175.10 175.97 3mc4 n LEU 229 N 4.90 1.06 -3.73 3.92 4.77 -1.26 -1.39 117.00 125.26 3mc4 n LEU 229 Ca -0.15 -1.06 -0.13 0.00 -0.03 0.00 0.00 56.01 54.64 3mc4 n LEU 229 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 3mc4 n LEU 229 CO 0.31 0.26 0.09 -0.54 -1.33 0.00 0.00 177.39 176.19 3mc4 s LYS 230 N -0.06 0.48 0.25 3.23 1.02 -1.26 -4.97 119.74 118.43 3mc4 s LYS 230 Ca 0.00 0.58 -0.30 0.00 0.02 0.00 0.00 55.97 56.27 3mc4 s LYS 230 Cb 0.00 0.23 -0.14 0.00 -0.52 0.00 0.00 37.83 37.40 3mc4 s LYS 230 CO 0.00 -0.06 1.11 0.43 -0.92 0.00 0.00 175.35 175.91 3mc4 n SER 231 N 2.88 1.56 -4.53 2.83 7.64 -1.26 -4.93 113.62 117.81 3mc4 n SER 231 Ca -0.13 1.17 -0.35 0.00 1.01 0.00 0.00 58.87 60.56 3mc4 n SER 231 Cb 0.57 -1.30 -0.11 0.00 -1.01 0.00 0.00 64.21 62.36 3mc4 n SER 231 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3mc4 s VAL 232 N -0.70 4.36 1.09 0.44 1.01 0.11 -4.97 120.40 121.74 3mc4 s VAL 232 Ca 0.64 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 3mc4 s VAL 232 Cb -0.73 -2.98 0.24 0.00 0.00 0.00 0.00 36.38 32.91 3mc4 s VAL 232 CO 0.57 0.43 1.06 -2.16 0.00 0.00 0.00 175.10 175.00 3mc4 s PRO 233 N 0.78 -0.30 0.68 2.72 0.04 -1.26 0.12 135.00 137.78 3mc4 s PRO 233 Ca 0.02 0.59 -0.13 0.00 0.04 0.00 0.00 61.00 61.51 3mc4 s PRO 233 Cb -0.14 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 32.76 3mc4 s PRO 233 CO 0.02 -3.25 1.08 -3.38 0.04 0.00 0.00 177.00 171.52 3mc4 s HIS 234 N -2.76 2.78 -1.58 0.56 -3.43 -1.26 -3.90 115.29 105.70 3mc4 s HIS 234 Ca 0.67 1.52 -0.14 0.00 -0.80 0.00 0.00 55.06 56.31 3mc4 s HIS 234 Cb -0.21 -3.05 0.10 0.00 -1.43 0.00 0.00 32.58 27.99 3mc4 s HIS 234 CO 0.61 -1.51 0.84 0.09 -2.00 0.00 0.00 174.74 172.77 3mc4 n ASN 235 N -2.74 -3.61 -4.28 7.38 4.13 -0.17 -4.92 115.26 111.05 3mc4 n ASN 235 Ca 0.09 -0.89 -0.15 0.00 1.68 0.00 0.00 54.58 55.30 3mc4 n ASN 235 Cb 0.53 -3.38 -0.10 0.00 -1.54 0.00 0.00 39.78 35.28 3mc4 n ASN 235 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3mc4 s VAL 236 N -3.38 1.19 -0.08 2.41 -7.23 -1.26 -1.80 120.40 110.26 3mc4 s VAL 236 Ca 0.60 -2.07 -0.02 0.00 -1.81 0.00 0.00 61.98 58.68 3mc4 s VAL 236 Cb -0.31 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 3mc4 s VAL 236 CO 0.87 -0.61 0.01 -0.89 -0.31 0.00 0.00 175.10 174.17 3mc4 s THR 237 N -3.32 4.35 0.18 5.32 2.01 0.06 -1.14 115.64 123.10 3mc4 s THR 237 Ca 0.21 -0.26 0.08 0.00 0.31 0.00 0.00 61.69 62.02 3mc4 s THR 237 Cb 0.03 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 3mc4 s THR 237 CO 0.04 0.58 -0.16 0.68 -0.69 0.00 0.00 174.62 175.07 3mc4 s VAL 238 N -0.91 1.71 -0.02 3.82 -7.23 -0.43 -0.83 120.40 116.50 3mc4 s VAL 238 Ca 0.14 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.00 3mc4 s VAL 238 Cb -0.11 -1.89 0.09 0.00 0.56 0.00 0.00 36.38 35.03 3mc4 s VAL 238 CO 0.03 -0.46 0.81 0.00 -0.31 0.00 0.00 175.10 175.17 3mc4 s ALA 239 N -2.50 -1.80 0.00 1.32 0.00 -0.57 -0.60 121.76 117.62 3mc4 s ALA 239 Ca 0.18 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.27 3mc4 s ALA 239 Cb -0.03 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.21 3mc4 s ALA 239 CO 0.06 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3mc4 n GLY 240 N 0.25 1.03 2.86 0.00 0.00 -1.26 -1.41 105.19 106.66 3mc4 n GLY 240 Ca -0.13 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.48 3mc4 n GLY 240 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mc4 s VAL 241 N -1.47 1.51 0.81 1.61 1.01 -1.26 -2.02 120.40 120.58 3mc4 s VAL 241 Ca 0.00 -1.83 -0.12 0.00 0.00 0.00 0.00 61.98 60.03 3mc4 s VAL 241 Cb 0.00 -2.13 0.08 0.00 0.00 0.00 0.00 36.38 34.33 3mc4 s VAL 241 CO 0.00 -0.64 1.13 -2.16 0.00 0.00 0.00 175.10 173.42 3mc4 s PRO 242 N 1.29 1.99 0.27 2.72 0.04 -1.26 -5.04 135.00 135.01 3mc4 s PRO 242 Ca 0.10 0.39 -0.30 0.00 0.04 0.00 0.00 61.00 61.24 3mc4 s PRO 242 Cb -0.18 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 3mc4 s PRO 242 CO -0.17 -1.63 1.08 0.00 0.04 0.00 0.00 177.00 176.32 3mc4 s ALA 243 N -3.33 3.40 0.13 8.56 0.00 0.19 -4.87 121.76 125.83 3mc4 s ALA 243 Ca 0.61 0.86 0.05 0.00 0.00 0.00 0.00 51.96 53.48 3mc4 s ALA 243 Cb -0.13 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 3mc4 s ALA 243 CO 0.52 -0.13 -0.11 1.03 0.00 0.00 0.00 175.76 177.07 3mc4 s ARG 244 N -1.31 0.99 0.14 0.00 1.81 -0.50 -4.88 118.95 115.20 3mc4 s ARG 244 Ca 0.45 -1.31 -0.31 0.00 -1.72 0.00 0.00 55.73 52.84 3mc4 s ARG 244 Cb -0.31 -0.68 -0.09 0.00 -0.45 0.00 0.00 34.95 33.42 3mc4 s ARG 244 CO 0.40 0.11 1.45 0.42 -0.68 0.00 0.00 175.30 176.99 3mc4 s ILE 245 N -2.73 3.05 -0.23 1.52 1.01 -1.26 -1.51 121.20 121.05 3mc4 s ILE 245 Ca 0.11 0.76 0.02 0.00 0.00 0.00 0.00 60.65 61.54 3mc4 s ILE 245 Cb -0.01 -3.49 0.03 0.00 0.01 0.00 0.00 42.46 39.00 3mc4 s ILE 245 CO 0.01 0.06 0.76 2.30 0.00 0.00 0.00 174.94 178.07 3mc4 n ILE 246 N 3.88 0.39 0.00 2.92 -5.35 -0.01 -4.94 119.36 116.26 3mc4 n ILE 246 Ca 0.12 -0.70 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 3mc4 n ILE 246 Cb 0.41 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 3mc4 n ILE 246 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mc4 n GLY 247 N -0.05 -0.88 3.96 3.28 0.00 -1.24 -4.96 105.19 105.30 3mc4 n GLY 247 Ca 0.02 -1.31 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 3mc4 n GLY 247 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mc4 s GLU 248 N -2.00 3.01 0.25 1.61 2.02 -1.26 -0.76 118.70 121.57 3mc4 s GLU 248 Ca 0.00 -0.54 -0.22 0.00 0.02 0.00 0.00 54.97 54.23 3mc4 s GLU 248 Cb 0.00 -2.56 0.03 0.00 0.10 0.00 0.00 34.13 31.70 3mc4 s GLU 248 CO 0.00 -0.31 0.77 -0.08 0.02 0.00 0.00 175.26 175.66 3mc4 s THR 249 N -2.57 0.00 0.00 3.63 -1.32 -0.74 -4.65 115.64 109.99 3mc4 s THR 249 Ca 0.49 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 60.08 3mc4 s THR 249 Cb -0.10 -1.97 0.00 0.00 -1.51 0.00 0.00 72.50 68.92 3mc4 s THR 249 CO 0.38 0.00 0.17 0.61 -2.21 0.00 0.00 174.62 173.57