#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mc4 s ALA 3 N 0.00 -2.11 0.00 5.20 0.00 -1.26 -5.10 121.76 118.49 3mc4 s ALA 3 Ca 0.00 1.80 0.00 0.00 0.00 0.00 0.00 51.96 53.76 3mc4 s ALA 3 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.66 3mc4 s ALA 3 CO 0.00 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.95 3mc4 n GLY 4 N 0.86 -1.67 0.31 0.00 0.00 -1.26 -4.28 105.19 99.15 3mc4 n GLY 4 Ca -0.04 -1.34 0.16 0.00 0.00 0.00 0.00 46.02 44.80 3mc4 n GLY 4 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mc4 h LEU 5 N 0.00 0.00 -2.08 0.99 3.38 -2.02 -1.91 115.31 113.67 3mc4 h LEU 5 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3mc4 h LEU 5 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3mc4 h LEU 5 CO 0.00 0.00 0.23 0.44 0.09 0.00 0.00 178.44 179.20 3mc4 h ASP 6 N 0.00 0.00 0.00 -0.43 3.32 -2.04 -1.94 116.42 115.33 3mc4 h ASP 6 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mc4 h ASP 6 Cb 0.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 3mc4 h ASP 6 CO -0.00 0.00 -0.00 1.56 -1.72 0.00 0.00 179.24 179.08 3mc4 h GLN 7 N 0.00 0.00 -6.37 3.56 4.20 -1.57 -3.40 115.11 111.54 3mc4 h GLN 7 Ca 0.13 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.28 3mc4 h GLN 7 Cb 0.59 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.32 3mc4 h GLN 7 CO -0.00 0.00 0.97 0.08 -0.67 0.00 0.00 178.83 179.21 3mc4 s VAL 8 N -4.80 4.13 -0.45 -0.54 1.01 -0.73 -4.89 120.40 114.13 3mc4 s VAL 8 Ca -0.05 1.27 0.07 0.00 0.00 0.00 0.00 61.98 63.27 3mc4 s VAL 8 Cb 0.16 -4.16 0.28 0.00 0.00 0.00 0.00 36.38 32.66 3mc4 s VAL 8 CO 0.59 -0.50 0.88 -0.67 0.00 0.00 0.00 175.10 175.41 3mc4 n ASP 9 N 7.69 -1.71 0.16 3.32 -0.08 -1.26 -5.00 116.55 119.67 3mc4 n ASP 9 Ca 0.15 -3.29 0.11 0.00 -1.51 0.00 0.00 54.79 50.24 3mc4 n ASP 9 Cb 0.47 1.12 0.63 0.00 2.34 0.00 0.00 41.12 45.68 3mc4 n ASP 9 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3mc4 h PRO 10 N 3.54 0.07 -0.12 -0.67 0.13 -1.98 -2.01 132.00 130.97 3mc4 h PRO 10 Ca -0.06 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 3mc4 h PRO 10 Cb 1.02 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 3mc4 h PRO 10 CO 0.31 0.04 -0.03 0.82 -0.23 0.00 0.00 178.00 178.92 3mc4 h ILE 11 N 0.07 1.29 -0.39 -3.56 2.04 -1.99 -0.83 117.51 114.14 3mc4 h ILE 11 Ca 0.09 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 3mc4 h ILE 11 Cb 0.27 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3mc4 h ILE 11 CO -0.01 0.27 0.14 -0.25 0.00 0.00 0.00 178.15 178.31 3mc4 h TRP 12 N -0.09 0.60 -0.76 1.37 -0.00 -1.92 -1.39 115.95 113.76 3mc4 h TRP 12 Ca 0.03 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.89 58.85 3mc4 h TRP 12 Cb 0.44 -0.18 -0.04 0.00 -0.00 0.00 0.00 29.16 29.38 3mc4 h TRP 12 CO 0.05 0.55 0.39 0.45 -0.00 0.00 0.00 178.44 179.88 3mc4 h HIS 13 N 0.48 1.08 -0.59 2.65 3.86 -1.36 -1.32 115.15 119.96 3mc4 h HIS 13 Ca 0.13 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.23 3mc4 h HIS 13 Cb 0.21 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 3mc4 h HIS 13 CO 0.00 0.78 0.12 0.77 0.86 0.00 0.00 177.93 180.46 3mc4 h SER 14 N 1.07 0.91 -0.67 2.45 0.02 -0.96 -1.95 113.55 114.41 3mc4 h SER 14 Ca 0.26 -0.25 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3mc4 h SER 14 Cb 0.09 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 3mc4 h SER 14 CO -0.04 0.92 0.43 0.40 -1.14 0.00 0.00 176.83 177.40 3mc4 h ILE 15 N 0.86 1.11 -0.54 3.27 2.04 -0.95 0.71 117.51 124.01 3mc4 h ILE 15 Ca 0.18 -0.29 -0.11 0.00 1.00 0.00 0.00 64.86 65.64 3mc4 h ILE 15 Cb 0.38 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3mc4 h ILE 15 CO 0.01 0.15 -0.09 0.03 0.00 0.00 0.00 178.15 178.25 3mc4 h ARG 16 N 0.85 0.99 -0.54 2.37 3.08 -0.94 -0.68 114.38 119.51 3mc4 h ARG 16 Ca 0.26 -0.35 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 3mc4 h ARG 16 Cb -0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3mc4 h ARG 16 CO -0.09 1.03 0.10 0.00 -1.07 0.00 0.00 179.97 179.94 3mc4 h ALA 17 N 1.00 0.72 -0.49 0.04 0.00 -0.95 -1.78 119.26 117.79 3mc4 h ALA 17 Ca 0.14 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3mc4 h ALA 17 Cb 0.64 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3mc4 h ALA 17 CO 0.04 0.45 -0.03 0.93 0.00 0.00 0.00 179.25 180.64 3mc4 h GLU 18 N 0.78 0.84 -0.11 0.00 5.08 -0.40 -1.37 114.58 119.40 3mc4 h GLU 18 Ca 0.17 -0.25 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 3mc4 h GLU 18 Cb 0.39 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3mc4 h GLU 18 CO 0.01 0.86 -0.61 0.00 -1.00 0.00 0.00 179.01 178.27 3mc4 h ALA 19 N 1.19 0.76 0.19 3.43 0.00 -1.07 -1.66 119.26 122.10 3mc4 h ALA 19 Ca 0.14 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3mc4 h ALA 19 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3mc4 h ALA 19 CO 0.03 0.72 -0.09 1.49 0.00 0.00 0.00 179.25 181.39 3mc4 h GLU 20 N 0.27 -0.25 -0.94 0.00 4.57 -0.84 -1.82 114.58 115.58 3mc4 h GLU 20 Ca -0.01 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 3mc4 h GLU 20 Cb 1.14 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.73 3mc4 h GLU 20 CO 0.10 0.03 0.62 1.49 -1.18 0.00 0.00 179.01 180.07 3mc4 h GLU 21 N -0.51 1.19 -0.55 1.92 4.57 -1.29 -2.22 114.58 117.68 3mc4 h GLU 21 Ca -0.03 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 3mc4 h GLU 21 Cb 0.39 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3mc4 h GLU 21 CO 0.04 0.78 -0.05 0.00 -1.18 0.00 0.00 179.01 178.61 3mc4 h ALA 22 N 1.37 0.74 -0.74 2.92 0.00 -1.21 -1.93 119.26 120.40 3mc4 h ALA 22 Ca 0.36 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3mc4 h ALA 22 Cb -0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3mc4 h ALA 22 CO -0.10 0.61 0.24 1.15 0.00 0.00 0.00 179.25 181.14 3mc4 h THR 23 N 0.88 1.26 -0.90 0.00 2.02 -1.06 -0.30 112.91 114.81 3mc4 h THR 23 Ca 0.15 -0.90 0.02 0.00 0.77 0.00 0.00 66.41 66.44 3mc4 h THR 23 Cb 0.60 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 3mc4 h THR 23 CO 0.04 0.36 0.60 0.03 0.37 0.00 0.00 175.52 176.91 3mc4 h ARG 24 N 1.11 1.17 0.00 6.66 3.08 -1.23 -2.18 114.38 122.98 3mc4 h ARG 24 Ca 0.24 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 3mc4 h ARG 24 Cb 0.30 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3mc4 h ARG 24 CO -0.01 0.77 -0.47 -0.97 -1.07 0.00 0.00 179.97 178.22 3mc4 h ASN 25 N 1.20 0.00 -1.91 7.04 -1.24 -0.66 -3.39 115.58 116.62 3mc4 h ASN 25 Ca 0.34 0.00 -0.44 0.00 0.71 0.00 0.00 56.30 56.91 3mc4 h ASN 25 Cb -0.10 0.00 -0.31 0.00 0.73 0.00 0.00 38.32 38.64 3mc4 h ASN 25 CO -0.09 0.47 -0.81 -0.62 -1.29 0.00 0.00 177.43 175.10 3mc4 s ASP 26 N -6.44 0.47 0.53 1.15 -1.08 -0.19 -5.03 116.67 106.07 3mc4 s ASP 26 Ca 0.04 -2.59 0.25 0.00 -0.52 0.00 0.00 52.55 49.73 3mc4 s ASP 26 Cb 0.08 0.36 1.46 0.00 -1.46 0.00 0.00 42.92 43.35 3mc4 s ASP 26 CO 0.74 -0.13 2.11 -0.65 0.52 0.00 0.00 175.17 177.75 3mc4 h PRO 27 N 5.48 0.00 -0.27 4.34 0.11 -1.62 -0.62 132.00 139.42 3mc4 h PRO 27 Ca 0.19 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.38 3mc4 h PRO 27 Cb 0.98 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3mc4 h PRO 27 CO 0.25 0.09 0.21 -0.24 -0.21 0.00 0.00 178.00 178.10 3mc4 h VAL 28 N 0.00 0.78 -0.02 3.15 3.04 -1.96 0.00 116.25 121.24 3mc4 h VAL 28 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3mc4 h VAL 28 Cb 0.22 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.35 3mc4 h VAL 28 CO 0.01 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.75 3mc4 n LEU 29 N -4.33 0.24 -0.06 3.16 4.77 -0.24 -4.29 117.00 116.26 3mc4 n LEU 29 Ca 0.04 -0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 55.79 3mc4 n LEU 29 Cb 0.37 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 3mc4 n LEU 29 CO 0.34 0.06 0.88 1.23 -1.33 0.00 0.00 177.39 178.57 3mc4 h GLY 30 N 5.85 0.32 0.38 -0.72 0.00 -1.13 -0.52 103.07 107.24 3mc4 h GLY 30 Ca 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.23 3mc4 h GLY 30 CO 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 176.54 176.67 3mc4 h ALA 31 N 0.95 0.30 0.24 3.60 0.00 -1.81 0.41 119.26 122.96 3mc4 h ALA 31 Ca 0.07 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3mc4 h ALA 31 Cb 0.13 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3mc4 h ALA 31 CO -0.01 -0.42 -0.24 0.35 0.00 0.00 0.00 179.25 178.93 3mc4 h PHE 32 N 0.07 -0.64 -0.07 0.00 3.57 -1.79 -0.79 116.94 117.29 3mc4 h PHE 32 Ca 0.18 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.51 3mc4 h PHE 32 Cb 0.25 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3mc4 h PHE 32 CO -0.28 -0.36 -0.70 -0.07 -2.23 0.00 0.00 178.31 174.67 3mc4 h LEU 33 N -0.52 0.40 -0.17 0.59 3.38 -0.93 -1.41 115.31 116.65 3mc4 h LEU 33 Ca -0.01 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 3mc4 h LEU 33 Cb 0.48 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3mc4 h LEU 33 CO -0.05 0.98 -0.40 1.88 0.09 0.00 0.00 178.44 180.94 3mc4 h TYR 34 N 0.24 0.74 -0.18 1.13 -1.99 -0.95 -0.41 116.97 115.54 3mc4 h TYR 34 Ca -0.02 -0.28 -0.11 0.00 2.00 0.00 0.00 58.73 60.32 3mc4 h TYR 34 Cb 1.26 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.85 3mc4 h TYR 34 CO 0.04 1.03 -0.37 0.00 -0.00 0.00 0.00 178.16 178.86 3mc4 h ALA 35 N 0.57 1.02 0.09 3.88 0.00 -1.08 0.12 119.26 123.86 3mc4 h ALA 35 Ca -0.00 -0.41 -0.34 0.00 0.00 0.00 0.00 54.91 54.17 3mc4 h ALA 35 Cb 1.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3mc4 h ALA 35 CO 0.09 0.60 -1.85 1.15 0.00 0.00 0.00 179.25 179.24 3mc4 h THR 36 N 0.34 0.76 0.00 0.00 2.02 -1.31 -3.44 112.91 111.27 3mc4 h THR 36 Ca 0.04 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 64.71 3mc4 h THR 36 Cb 0.81 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 3mc4 h THR 36 CO 0.07 0.77 -0.04 -0.38 0.37 0.00 0.00 175.52 176.30 3mc4 n ILE 37 N -3.35 0.99 0.18 3.11 2.08 -0.24 -4.51 119.36 117.62 3mc4 n ILE 37 Ca -0.25 0.32 0.02 0.00 0.56 0.00 0.00 62.75 63.40 3mc4 n ILE 37 Cb 1.05 -1.50 0.33 0.00 -0.75 0.00 0.00 39.64 38.77 3mc4 n ILE 37 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3mc4 h LEU 38 N -0.04 0.00 -0.26 1.39 3.38 -1.17 -1.99 115.31 116.61 3mc4 h LEU 38 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mc4 h LEU 38 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3mc4 h LEU 38 CO 0.00 0.41 -0.09 0.59 0.09 0.00 0.00 178.44 179.44 3mc4 n ASN 39 N -3.99 0.49 -4.78 -0.43 3.02 0.41 -4.87 115.26 105.12 3mc4 n ASN 39 Ca -0.02 -0.67 -0.39 0.00 -0.03 0.00 0.00 54.58 53.47 3mc4 n ASN 39 Cb 0.45 -0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.49 3mc4 n ASN 39 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3mc4 s GLN 40 N -2.40 4.57 0.10 3.52 -1.52 -0.75 -4.98 119.66 118.20 3mc4 s GLN 40 Ca 0.31 1.15 0.27 0.00 -1.95 0.00 0.00 55.36 55.15 3mc4 s GLN 40 Cb 0.20 -3.26 0.91 0.00 -0.22 0.00 0.00 33.01 30.64 3mc4 s GLN 40 CO 0.45 0.56 1.76 -0.35 -0.25 0.00 0.00 175.29 177.47 3mc4 n PRO 41 N 1.63 0.13 -3.48 2.91 -0.04 -1.26 -4.91 135.00 129.98 3mc4 n PRO 41 Ca -0.06 0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.39 3mc4 n PRO 41 Cb 0.49 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.29 3mc4 n PRO 41 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3mc4 s SER 42 N -3.74 -0.51 0.19 3.54 1.04 -1.26 -5.04 113.70 107.92 3mc4 s SER 42 Ca 0.12 -0.06 -0.10 0.00 0.48 0.00 0.00 55.95 56.38 3mc4 s SER 42 Cb 0.16 0.58 0.10 0.00 0.10 0.00 0.00 66.02 66.96 3mc4 s SER 42 CO 0.59 -0.96 1.73 0.25 0.98 0.00 0.00 173.24 175.83 3mc4 h LEU 43 N 2.00 0.95 -0.40 2.42 5.85 -1.95 -1.02 115.31 123.15 3mc4 h LEU 43 Ca -0.31 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.30 3mc4 h LEU 43 Cb 1.29 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.98 3mc4 h LEU 43 CO 0.36 0.89 -0.32 -0.33 -0.34 0.00 0.00 178.44 178.70 3mc4 h GLU 44 N 0.96 -0.23 -0.36 1.25 3.07 -1.96 -0.70 114.58 116.61 3mc4 h GLU 44 Ca 0.22 0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 59.03 3mc4 h GLU 44 Cb 0.26 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 3mc4 h GLU 44 CO -0.01 -0.16 -0.06 0.93 -1.40 0.00 0.00 179.01 178.31 3mc4 h GLU 45 N -0.24 0.59 -0.38 2.33 5.08 -1.83 -1.02 114.58 119.10 3mc4 h GLU 45 Ca 0.18 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3mc4 h GLU 45 Cb 0.53 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3mc4 h GLU 45 CO -0.54 0.66 0.20 0.00 -1.00 0.00 0.00 179.01 178.33 3mc4 h ALA 46 N 1.39 0.49 -0.21 3.43 0.00 -0.65 0.48 119.26 124.18 3mc4 h ALA 46 Ca 0.11 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3mc4 h ALA 46 Cb 0.45 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3mc4 h ALA 46 CO 0.02 0.03 -0.26 0.28 0.00 0.00 0.00 179.25 179.32 3mc4 h VAL 47 N 0.49 1.33 -0.13 0.00 2.07 -0.70 -1.13 116.25 118.17 3mc4 h VAL 47 Ca 0.13 -1.45 0.03 0.00 0.82 0.00 0.00 66.70 66.24 3mc4 h VAL 47 Cb 0.08 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 3mc4 h VAL 47 CO -0.02 0.45 -0.07 0.24 0.02 0.00 0.00 177.57 178.18 3mc4 h MET 48 N 0.24 -0.07 -0.29 1.57 2.07 -1.11 -2.32 114.93 115.02 3mc4 h MET 48 Ca 0.03 0.00 0.04 0.00 -2.07 0.00 0.00 59.70 57.70 3mc4 h MET 48 Cb 0.83 0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 30.54 3mc4 h MET 48 CO 0.06 -0.05 0.07 1.25 1.07 0.00 0.00 176.91 179.32 3mc4 h HIS 49 N -0.07 0.12 -0.51 -0.22 6.17 -0.81 0.50 115.15 120.33 3mc4 h HIS 49 Ca 0.08 0.02 0.05 0.00 0.71 0.00 0.00 60.37 61.22 3mc4 h HIS 49 Cb 0.18 -0.01 -0.05 0.00 2.52 0.00 0.00 27.41 30.06 3mc4 h HIS 49 CO -0.20 0.04 0.25 -0.09 0.71 0.00 0.00 177.93 178.64 3mc4 h ARG 50 N 0.18 0.48 -0.15 5.26 9.65 -1.05 -0.53 114.38 128.22 3mc4 h ARG 50 Ca 0.14 -0.03 -0.23 0.00 -1.10 0.00 0.00 59.98 58.76 3mc4 h ARG 50 Cb 0.13 -0.11 0.01 0.00 -1.39 0.00 0.00 29.97 28.62 3mc4 h ARG 50 CO -0.17 0.31 -0.79 0.82 2.80 0.00 0.00 179.97 182.94 3mc4 h ILE 51 N 0.49 1.27 -0.85 1.20 2.04 -1.14 -0.65 117.51 119.88 3mc4 h ILE 51 Ca 0.23 -1.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.10 3mc4 h ILE 51 Cb 0.14 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 3mc4 h ILE 51 CO -0.16 0.63 0.51 0.00 0.00 0.00 0.00 178.15 179.13 3mc4 h ALA 52 N 0.54 1.29 -0.56 1.87 0.00 -0.76 -1.47 119.26 120.16 3mc4 h ALA 52 Ca -0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3mc4 h ALA 52 Cb 1.43 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3mc4 h ALA 52 CO 0.16 0.61 0.21 0.93 0.00 0.00 0.00 179.25 181.16 3mc4 h GLU 53 N 1.18 0.85 -0.56 0.00 4.39 -0.63 0.27 114.58 120.08 3mc4 h GLU 53 Ca 0.31 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 3mc4 h GLU 53 Cb -0.04 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 3mc4 h GLU 53 CO -0.06 0.74 -0.09 0.00 -1.16 0.00 0.00 179.01 178.45 3mc4 h ARG 54 N 0.77 1.04 0.00 2.33 3.08 -0.84 -3.25 114.38 117.51 3mc4 h ARG 54 Ca 0.19 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 3mc4 h ARG 54 Cb 0.22 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3mc4 h ARG 54 CO -0.01 1.07 -0.80 -0.07 -1.07 0.00 0.00 179.97 179.08 3mc4 h LEU 55 N 0.93 0.00 -9.53 3.04 3.38 -1.24 -3.48 115.31 108.41 3mc4 h LEU 55 Ca 0.15 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.52 3mc4 h LEU 55 Cb 0.66 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.51 3mc4 h LEU 55 CO 0.05 0.07 0.29 0.61 0.09 0.00 0.00 178.44 179.55 3mc4 n GLY 56 N 1.18 0.10 3.27 0.83 0.00 0.94 -4.90 105.19 106.61 3mc4 n GLY 56 Ca 0.00 0.38 -0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.80 -0.15 0.32 1.61 5.04 -0.93 -4.80 115.29 115.58 3mc4 s HIS 57 Ca 0.61 0.06 0.09 0.00 -1.54 0.00 0.00 55.06 54.29 3mc4 s HIS 57 Cb -0.69 0.12 0.94 0.00 0.04 0.00 0.00 32.58 32.99 3mc4 s HIS 57 CO 0.58 -0.50 1.63 -1.35 -2.34 0.00 0.00 174.74 172.76 3mc4 h PRO 58 N 3.25 0.18 -0.24 2.88 0.11 -1.99 -1.84 132.00 134.36 3mc4 h PRO 58 Ca -0.31 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.83 3mc4 h PRO 58 Cb 1.20 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 3mc4 h PRO 58 CO 0.45 0.12 -0.04 -0.44 -0.21 0.00 0.00 178.00 177.88 3mc4 h ASP 59 N 0.19 -0.17 -2.52 -2.05 3.32 -1.98 -3.39 116.42 109.81 3mc4 h ASP 59 Ca 0.66 0.06 -0.31 0.00 0.02 0.00 0.00 57.03 57.47 3mc4 h ASP 59 Cb 1.48 0.13 -0.36 0.00 0.22 0.00 0.00 39.33 40.81 3mc4 h ASP 59 CO -0.69 -0.05 -0.62 -0.69 -1.72 0.00 0.00 179.24 175.46 3mc4 s VAL 60 N -6.20 -0.33 0.58 -1.35 1.01 -0.72 -5.16 120.40 108.24 3mc4 s VAL 60 Ca -0.13 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 3mc4 s VAL 60 Cb 0.11 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3mc4 s VAL 60 CO 0.69 -0.19 1.12 -0.94 0.00 0.00 0.00 175.10 175.78 3mc4 s SER 61 N 2.33 5.52 0.29 3.32 1.04 -1.06 -2.18 113.70 122.96 3mc4 s SER 61 Ca 0.07 2.11 -0.02 0.00 0.48 0.00 0.00 55.95 58.59 3mc4 s SER 61 Cb -0.16 -2.57 0.62 0.00 0.10 0.00 0.00 66.02 64.02 3mc4 s SER 61 CO -0.12 -1.36 1.57 0.00 0.98 0.00 0.00 173.24 174.32 3mc4 h ALA 62 N 0.80 0.95 -0.31 5.32 0.00 -1.82 -1.78 119.26 122.42 3mc4 h ALA 62 Ca -0.49 0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3mc4 h ALA 62 Cb 1.26 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 3mc4 h ALA 62 CO 0.56 -0.49 0.18 0.38 0.00 0.00 0.00 179.25 179.88 3mc4 h ASP 63 N 0.01 0.30 -0.71 0.00 3.04 -1.91 0.22 116.42 117.37 3mc4 h ASP 63 Ca 0.54 0.00 0.01 0.00 -3.24 0.00 0.00 57.03 54.34 3mc4 h ASP 63 Cb 1.01 -0.06 -0.04 0.00 -1.04 0.00 0.00 39.33 39.21 3mc4 h ASP 63 CO -0.94 0.22 0.47 0.40 -2.04 0.00 0.00 179.24 177.35 3mc4 h ILE 64 N 0.38 1.17 -0.32 4.15 2.04 -1.70 0.13 117.51 123.37 3mc4 h ILE 64 Ca 0.12 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 3mc4 h ILE 64 Cb -0.00 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 3mc4 h ILE 64 CO -0.06 0.17 -0.30 -0.07 0.00 0.00 0.00 178.15 177.89 3mc4 h LEU 65 N 0.95 0.82 -0.52 1.44 3.38 -0.88 -1.53 115.31 118.95 3mc4 h LEU 65 Ca 0.26 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.81 3mc4 h LEU 65 Cb -0.09 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 3mc4 h LEU 65 CO -0.06 1.11 0.27 0.03 0.09 0.00 0.00 178.44 179.89 3mc4 h ARG 66 N 0.53 0.52 -0.63 1.13 2.47 -0.05 0.56 114.38 118.90 3mc4 h ARG 66 Ca 0.05 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.67 3mc4 h ARG 66 Cb 0.88 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 29.06 3mc4 h ARG 66 CO 0.08 0.34 0.11 1.96 0.56 0.00 0.00 179.97 183.02 3mc4 h GLN 67 N 0.53 1.03 -0.24 0.04 4.20 -0.40 -1.14 115.11 119.13 3mc4 h GLN 67 Ca 0.23 -0.26 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 3mc4 h GLN 67 Cb 0.12 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 3mc4 h GLN 67 CO -0.15 0.94 -0.37 1.15 -0.67 0.00 0.00 178.83 179.73 3mc4 h THR 68 N 0.97 1.31 -0.54 -0.54 2.02 -1.13 -2.44 112.91 112.56 3mc4 h THR 68 Ca 0.20 -1.57 0.08 0.00 0.77 0.00 0.00 66.41 65.89 3mc4 h THR 68 Cb 0.40 1.73 -0.07 0.00 -1.74 0.00 0.00 68.15 68.48 3mc4 h THR 68 CO 0.01 0.50 0.17 0.15 0.37 0.00 0.00 175.52 176.71 3mc4 h PHE 69 N 0.39 0.29 -0.66 3.16 3.04 -0.73 -1.37 116.94 121.06 3mc4 h PHE 69 Ca 0.02 0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.12 3mc4 h PHE 69 Cb 0.96 -0.05 -0.09 0.00 2.56 0.00 0.00 35.95 39.33 3mc4 h PHE 69 CO 0.08 0.06 0.20 -0.44 -2.02 0.00 0.00 178.31 176.20 3mc4 h ASP 70 N 0.33 0.13 -0.02 0.41 3.32 -1.02 -0.45 116.42 119.13 3mc4 h ASP 70 Ca 0.27 0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.32 3mc4 h ASP 70 Cb 0.33 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3mc4 h ASP 70 CO -0.30 0.06 -0.29 0.71 -1.72 0.00 0.00 179.24 177.70 3mc4 h THR 71 N 0.35 1.27 -0.21 0.35 1.35 -0.91 -1.51 112.91 113.60 3mc4 h THR 71 Ca 0.35 -1.33 -0.02 0.00 -0.55 0.00 0.00 66.41 64.85 3mc4 h THR 71 Cb 0.51 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 3mc4 h THR 71 CO -0.39 0.42 0.04 -0.03 -0.25 0.00 0.00 175.52 175.31 3mc4 h MET 72 N 0.40 0.35 -0.36 4.72 1.85 -0.62 -1.93 114.93 119.34 3mc4 h MET 72 Ca 0.05 -0.09 0.03 0.00 -0.61 0.00 0.00 59.70 59.09 3mc4 h MET 72 Cb 0.72 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.67 3mc4 h MET 72 CO 0.05 0.49 0.15 1.25 -0.40 0.00 0.00 176.91 178.46 3mc4 h LEU 73 N 0.15 0.19 -0.50 3.39 5.85 -0.88 0.33 115.31 123.84 3mc4 h LEU 73 Ca 0.06 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.91 3mc4 h LEU 73 Cb 0.31 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.26 3mc4 h LEU 73 CO 0.00 0.15 0.02 -0.08 -0.34 0.00 0.00 178.44 178.19 3mc4 h GLU 74 N 0.32 0.13 0.00 1.25 4.81 -1.17 -1.48 114.58 118.44 3mc4 h GLU 74 Ca 0.16 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 3mc4 h GLU 74 Cb 0.11 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3mc4 h GLU 74 CO -0.14 0.09 -0.38 0.00 -0.73 0.00 0.00 179.01 177.85 3mc4 h ALA 75 N 1.43 0.94 -2.17 2.92 0.00 -0.99 -3.37 119.26 118.02 3mc4 h ALA 75 Ca 0.25 -0.34 -0.58 0.00 0.00 0.00 0.00 54.91 54.24 3mc4 h ALA 75 Cb 0.37 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 17.69 3mc4 h ALA 75 CO -0.40 0.47 -0.75 0.09 0.00 0.00 0.00 179.25 178.67 3mc4 n ASN 76 N -3.46 3.17 0.17 0.00 3.02 0.11 -4.94 115.26 113.33 3mc4 n ASN 76 Ca 0.00 -3.37 0.17 0.00 -0.03 0.00 0.00 54.58 51.35 3mc4 n ASN 76 Cb 0.54 -0.63 0.78 0.00 -0.61 0.00 0.00 39.78 39.86 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 3.64 0.00 0.00 3.52 0.13 -1.66 0.51 132.00 138.15 3mc4 h PRO 77 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3mc4 h PRO 77 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3mc4 h PRO 77 CO 0.74 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.56 3mc4 h GLU 78 N 0.00 0.00 -0.84 0.86 9.09 -1.92 -2.74 114.58 119.02 3mc4 h GLU 78 Ca 0.11 0.00 0.22 0.00 0.05 0.00 0.00 59.36 59.75 3mc4 h GLU 78 Cb 0.57 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.62 3mc4 h GLU 78 CO -0.00 0.00 0.59 2.35 0.05 0.00 0.00 179.01 182.00 3mc4 h TRP 79 N 0.00 0.21 -0.74 2.06 7.01 -1.24 -1.52 115.95 121.73 3mc4 h TRP 79 Ca 0.00 0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.13 3mc4 h TRP 79 Cb 0.07 -0.06 -0.09 0.00 -2.10 0.00 0.00 29.16 26.97 3mc4 h TRP 79 CO 0.00 0.06 0.32 0.77 -2.79 0.00 0.00 178.44 176.80 3mc4 h SER 80 N 0.16 0.34 -0.00 2.65 0.02 -1.72 -1.24 113.55 113.76 3mc4 h SER 80 Ca 0.42 0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 61.38 3mc4 h SER 80 Cb 1.40 0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.99 3mc4 h SER 80 CO -0.07 0.16 -0.33 -0.74 -1.14 0.00 0.00 176.83 174.71 3mc4 h HIS 81 N 0.50 0.34 -0.47 3.45 -0.00 -1.56 -3.12 115.15 114.29 3mc4 h HIS 81 Ca 0.39 -0.18 0.09 0.00 -0.00 0.00 0.00 60.37 60.67 3mc4 h HIS 81 Cb 0.54 -0.04 -0.07 0.00 -0.00 0.00 0.00 27.41 27.84 3mc4 h HIS 81 CO -0.14 0.98 0.04 0.28 -0.00 0.00 0.00 177.93 179.08 3mc4 h VAL 82 N -0.40 0.67 -0.11 5.26 2.07 -1.08 -0.34 116.25 122.32 3mc4 h VAL 82 Ca -0.04 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 3mc4 h VAL 82 Cb 1.07 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3mc4 h VAL 82 CO 0.06 0.03 -0.26 0.17 0.02 0.00 0.00 177.57 177.59 3mc4 h LEU 83 N 0.15 0.20 -0.22 2.57 8.10 -1.36 0.26 115.31 125.01 3mc4 h LEU 83 Ca 0.24 -0.06 -0.21 0.00 0.11 0.00 0.00 57.88 57.96 3mc4 h LEU 83 Cb 0.34 -0.05 0.01 0.00 -0.44 0.00 0.00 40.66 40.51 3mc4 h LEU 83 CO -0.36 0.46 -0.70 0.03 -4.11 0.00 0.00 178.44 173.77 3mc4 h ARG 84 N 0.18 0.81 -0.32 0.17 3.08 -1.24 -1.20 114.38 115.86 3mc4 h ARG 84 Ca 0.03 -0.60 -0.15 0.00 0.07 0.00 0.00 59.98 59.33 3mc4 h ARG 84 Cb 0.56 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3mc4 h ARG 84 CO 0.04 1.22 -0.40 0.28 -1.07 0.00 0.00 179.97 180.04 3mc4 h VAL 85 N 0.57 1.29 -0.48 2.04 2.07 -0.77 0.71 116.25 121.69 3mc4 h VAL 85 Ca -0.03 -1.57 0.01 0.00 0.82 0.00 0.00 66.70 65.94 3mc4 h VAL 85 Cb 1.32 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 3mc4 h VAL 85 CO 0.15 0.51 0.30 0.44 0.02 0.00 0.00 177.57 178.98 3mc4 h ASP 86 N 0.62 0.50 -0.01 0.57 3.32 -0.95 0.05 116.42 120.52 3mc4 h ASP 86 Ca 0.05 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.12 3mc4 h ASP 86 Cb 0.95 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 3mc4 h ASP 86 CO 0.09 0.35 -0.14 0.40 -1.72 0.00 0.00 179.24 178.22 3mc4 h ILE 87 N 0.60 0.66 -0.93 0.35 2.04 -0.93 -2.88 117.51 116.41 3mc4 h ILE 87 Ca 0.18 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.16 3mc4 h ILE 87 Cb -0.02 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 36.63 3mc4 h ILE 87 CO -0.07 0.00 0.57 -0.61 0.00 0.00 0.00 178.15 178.04 3mc4 h GLN 88 N -0.23 0.88 -0.42 2.37 5.75 -0.59 -2.15 115.11 120.72 3mc4 h GLN 88 Ca 0.05 -0.05 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 3mc4 h GLN 88 Cb 0.29 -0.20 -0.05 0.00 1.07 0.00 0.00 27.48 28.59 3mc4 h GLN 88 CO -0.14 0.58 0.11 0.00 -2.65 0.00 0.00 178.83 176.73 3mc4 h ALA 89 N 1.51 0.48 0.05 3.38 0.00 -0.78 0.45 119.26 124.35 3mc4 h ALA 89 Ca 0.46 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 3mc4 h ALA 89 Cb 0.45 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3mc4 h ALA 89 CO -0.26 -0.29 -0.03 0.28 0.00 0.00 0.00 179.25 178.95 3mc4 h VAL 90 N 0.26 0.97 -0.61 0.00 2.07 -1.26 -0.77 116.25 116.90 3mc4 h VAL 90 Ca 0.20 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.71 3mc4 h VAL 90 Cb 0.23 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 3mc4 h VAL 90 CO -0.24 0.02 0.33 0.22 0.02 0.00 0.00 177.57 177.91 3mc4 h TYR 91 N -0.10 0.60 -0.04 1.57 5.03 -1.00 -1.88 116.97 121.15 3mc4 h TYR 91 Ca -0.01 0.02 -0.24 0.00 2.58 0.00 0.00 58.73 61.09 3mc4 h TYR 91 Cb 0.08 -0.18 0.01 0.00 1.55 0.00 0.00 36.73 38.19 3mc4 h TYR 91 CO -0.07 0.28 -0.93 -0.44 -1.32 0.00 0.00 178.16 175.69 3mc4 h ASP 92 N 0.61 0.74 0.30 -2.11 3.32 -0.85 -3.38 116.42 115.05 3mc4 h ASP 92 Ca 0.28 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3mc4 h ASP 92 Cb 0.18 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3mc4 h ASP 92 CO -0.18 1.35 -1.28 0.54 -1.72 0.00 0.00 179.24 177.95 3mc4 n ARG 93 N -3.83 0.37 -3.91 3.56 1.74 -0.30 -4.82 116.66 109.47 3mc4 n ARG 93 Ca -0.08 -0.04 -0.35 0.00 -0.77 0.00 0.00 57.85 56.61 3mc4 n ARG 93 Cb 0.82 -1.58 -0.14 0.00 -1.02 0.00 0.00 32.46 30.55 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 -4.07 4.89 0.57 0.55 -1.08 -0.72 -4.99 116.67 111.81 3mc4 s ASP 94 Ca 0.01 -1.36 0.38 0.00 -0.52 0.00 0.00 52.55 51.05 3mc4 s ASP 94 Cb 0.14 -1.71 1.87 0.00 -1.46 0.00 0.00 42.92 41.76 3mc4 s ASP 94 CO 0.84 -0.28 2.13 -0.65 0.52 0.00 0.00 175.17 177.73 3mc4 h PRO 95 N 7.98 0.00 0.00 4.34 0.11 -1.88 -3.22 132.00 139.33 3mc4 h PRO 95 Ca -0.20 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 3mc4 h PRO 95 Cb 1.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3mc4 h PRO 95 CO 0.54 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 178.22 3mc4 h ALA 96 N 2.02 1.77 -3.25 -0.75 0.00 -1.95 -3.42 119.26 113.67 3mc4 h ALA 96 Ca 0.00 -0.10 -0.60 0.00 0.00 0.00 0.00 54.91 54.21 3mc4 h ALA 96 Cb 0.19 -0.02 -0.35 0.00 0.00 0.00 0.00 17.79 17.62 3mc4 h ALA 96 CO 0.00 0.13 -0.84 0.71 0.00 0.00 0.00 179.25 179.25 3mc4 s TYR 97 N -4.76 2.07 -1.53 0.00 2.02 -1.22 -5.01 117.35 108.93 3mc4 s TYR 97 Ca -0.04 -0.99 0.15 0.00 -0.37 0.00 0.00 57.07 55.81 3mc4 s TYR 97 Cb 0.16 -1.48 0.30 0.00 -0.40 0.00 0.00 41.96 40.53 3mc4 s TYR 97 CO 0.67 -0.50 1.20 0.43 -1.57 0.00 0.00 175.55 175.78 3mc4 n SER 98 N 4.20 2.86 -4.20 2.29 7.64 -1.26 -4.83 113.62 120.32 3mc4 n SER 98 Ca -0.19 -1.85 -0.25 0.00 1.01 0.00 0.00 58.87 57.59 3mc4 n SER 98 Cb 0.51 -0.19 -0.15 0.00 -1.01 0.00 0.00 64.21 63.37 3mc4 n SER 98 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3mc4 s ARG 99 N -1.11 1.43 0.48 1.43 0.52 -1.26 -5.02 118.95 115.42 3mc4 s ARG 99 Ca 0.26 -0.73 0.14 0.00 -0.52 0.00 0.00 55.73 54.87 3mc4 s ARG 99 Cb 0.15 -1.42 1.13 0.00 0.52 0.00 0.00 34.95 35.33 3mc4 s ARG 99 CO 0.21 0.38 2.10 0.74 0.02 0.00 0.00 175.30 178.75 3mc4 h PHE 100 N 5.44 0.19 0.00 -0.53 0.04 -1.93 -2.02 116.94 118.12 3mc4 h PHE 100 Ca -0.39 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.39 3mc4 h PHE 100 Cb 1.15 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.24 3mc4 h PHE 100 CO 0.43 0.11 0.00 0.00 -0.60 0.00 0.00 178.31 178.25 3mc4 h MET 101 N 0.20 0.00 -0.23 1.51 -0.00 -1.91 -3.32 114.93 111.17 3mc4 h MET 101 Ca 0.07 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.80 3mc4 h MET 101 Cb 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.63 3mc4 h MET 101 CO -0.01 0.00 0.07 -0.44 -0.00 0.00 0.00 176.91 176.53 3mc4 h ASP 102 N 0.00 0.07 -0.18 -0.10 3.32 -1.79 -1.05 116.42 116.70 3mc4 h ASP 102 Ca 0.00 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 3mc4 h ASP 102 Cb 0.55 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3mc4 h ASP 102 CO 0.00 0.07 -0.29 1.55 -1.72 0.00 0.00 179.24 178.85 3mc4 h PRO 103 N 0.18 0.67 -0.27 3.56 0.13 -1.76 -1.07 132.00 133.43 3mc4 h PRO 103 Ca 0.10 -0.29 0.02 0.00 -0.87 0.00 0.00 66.00 64.97 3mc4 h PRO 103 Cb 0.08 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.16 3mc4 h PRO 103 CO -0.11 0.88 0.11 0.28 -0.23 0.00 0.00 178.00 178.93 3mc4 h VAL 104 N 0.57 0.95 0.16 1.56 2.07 -1.62 -3.05 116.25 116.90 3mc4 h VAL 104 Ca 0.07 -0.08 -0.31 0.00 0.82 0.00 0.00 66.70 67.20 3mc4 h VAL 104 Cb 0.79 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3mc4 h VAL 104 CO 0.06 0.04 -1.44 -0.07 0.02 0.00 0.00 177.57 176.19 3mc4 h LEU 105 N 0.24 0.54 0.00 2.57 3.38 -1.19 -3.45 115.31 117.40 3mc4 h LEU 105 Ca 0.12 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3mc4 h LEU 105 Cb 0.07 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3mc4 h LEU 105 CO -0.11 1.51 -0.88 -1.22 0.09 0.00 0.00 178.44 177.84 3mc4 n TYR 106 N -3.56 0.00 -3.04 1.13 4.01 -0.41 -5.01 117.16 110.28 3mc4 n TYR 106 Ca -0.15 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.17 3mc4 n TYR 106 Cb 1.06 0.00 -0.06 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 -4.30 4.20 0.49 7.72 1.43 -1.15 -4.92 118.68 122.15 3mc4 s LEU 107 Ca 0.00 0.23 0.22 0.00 -1.03 0.00 0.00 54.13 53.55 3mc4 s LEU 107 Cb 0.00 -2.89 1.27 0.00 0.03 0.00 0.00 46.19 44.60 3mc4 s LEU 107 CO 0.00 -0.66 2.05 0.07 0.23 0.00 0.00 176.35 178.04 3mc4 h LYS 108 N 8.47 0.00 -0.31 1.70 2.10 -1.89 -1.92 116.57 124.72 3mc4 h LYS 108 Ca -0.26 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.45 3mc4 h LYS 108 Cb 1.10 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.39 3mc4 h LYS 108 CO 0.87 0.14 0.02 0.78 -2.00 0.00 0.00 179.45 179.27 3mc4 h GLY 109 N 0.66 0.33 1.03 0.07 0.00 -1.83 0.19 103.07 103.53 3mc4 h GLY 109 Ca -0.00 0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 3mc4 h GLY 109 CO 0.02 -0.05 -0.01 -2.75 0.00 0.00 0.00 176.54 173.75 3mc4 h PHE 110 N 0.12 1.02 -0.63 5.60 3.57 -1.58 -1.47 116.94 123.57 3mc4 h PHE 110 Ca 0.15 -0.18 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 3mc4 h PHE 110 Cb 0.19 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3mc4 h PHE 110 CO -0.21 0.94 0.23 0.45 -2.23 0.00 0.00 178.31 177.49 3mc4 h HIS 111 N 0.80 0.95 -0.33 0.41 3.86 -1.14 -2.68 115.15 117.02 3mc4 h HIS 111 Ca 0.15 -0.07 -0.16 0.00 -1.16 0.00 0.00 60.37 59.13 3mc4 h HIS 111 Cb 0.54 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3mc4 h HIS 111 CO 0.04 0.74 -0.42 0.00 0.86 0.00 0.00 177.93 179.15 3mc4 h ALA 112 N 1.34 0.63 -0.01 2.45 0.00 -0.19 -0.09 119.26 123.39 3mc4 h ALA 112 Ca 0.21 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3mc4 h ALA 112 Cb 0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3mc4 h ALA 112 CO -0.02 0.67 -0.17 0.82 0.00 0.00 0.00 179.25 180.56 3mc4 h ILE 113 N 0.67 0.58 -0.05 0.00 2.04 -0.95 0.86 117.51 120.66 3mc4 h ILE 113 Ca 0.05 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.75 3mc4 h ILE 113 Cb 1.00 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3mc4 h ILE 113 CO 0.10 0.00 -0.67 1.56 0.00 0.00 0.00 178.15 179.13 3mc4 h GLN 114 N -0.28 0.22 -0.48 2.37 1.08 -1.40 -1.39 115.11 115.23 3mc4 h GLN 114 Ca 0.06 -0.17 0.03 0.00 -1.45 0.00 0.00 58.65 57.12 3mc4 h GLN 114 Cb 0.35 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 3mc4 h GLN 114 CO -0.17 0.81 0.27 1.15 -0.95 0.00 0.00 178.83 179.94 3mc4 h THR 115 N 0.15 1.01 -1.00 -0.54 2.02 -0.75 -1.83 112.91 111.97 3mc4 h THR 115 Ca -0.02 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.02 3mc4 h THR 115 Cb 1.21 0.43 -0.06 0.00 -1.74 0.00 0.00 68.15 67.99 3mc4 h THR 115 CO 0.10 0.10 0.66 -0.74 0.37 0.00 0.00 175.52 176.01 3mc4 h HIS 116 N 0.53 1.23 -0.93 3.16 -0.00 0.17 -1.20 115.15 118.12 3mc4 h HIS 116 Ca 0.20 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.60 3mc4 h HIS 116 Cb 0.06 -0.41 -0.04 0.00 -0.00 0.00 0.00 27.41 27.02 3mc4 h HIS 116 CO -0.08 0.71 0.56 0.00 -0.00 0.00 0.00 177.93 179.11 3mc4 h ARG 117 N 1.27 1.26 -0.12 5.26 3.08 -0.51 0.77 114.38 125.39 3mc4 h ARG 117 Ca 0.40 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 3mc4 h ARG 117 Cb -0.00 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.78 3mc4 h ARG 117 CO -0.12 0.89 0.00 1.25 -1.07 0.00 0.00 179.97 180.91 3mc4 h LEU 118 N 1.28 0.21 -0.26 3.04 5.85 -0.89 -2.49 115.31 122.05 3mc4 h LEU 118 Ca 0.33 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3mc4 h LEU 118 Cb -0.05 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3mc4 h LEU 118 CO -0.06 0.46 0.06 0.00 -0.34 0.00 0.00 178.44 178.56 3mc4 h ALA 119 N 0.76 0.28 -0.67 1.25 0.00 -0.77 -1.36 119.26 118.75 3mc4 h ALA 119 Ca 0.04 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.11 3mc4 h ALA 119 Cb 0.35 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 3mc4 h ALA 119 CO 0.01 -0.36 0.22 1.25 0.00 0.00 0.00 179.25 180.37 3mc4 h HIS 120 N 0.16 0.36 -0.41 0.00 -0.00 -0.88 0.97 115.15 115.36 3mc4 h HIS 120 Ca 0.12 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.47 3mc4 h HIS 120 Cb 0.12 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.45 3mc4 h HIS 120 CO -0.16 0.03 0.06 2.35 -0.00 0.00 0.00 177.93 180.21 3mc4 h TRP 121 N 0.36 0.73 -0.42 5.26 7.01 -1.08 -1.62 115.95 126.19 3mc4 h TRP 121 Ca 0.35 -0.10 -0.00 0.00 2.11 0.00 0.00 58.89 61.24 3mc4 h TRP 121 Cb 0.51 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 3mc4 h TRP 121 CO -0.20 0.71 0.25 -0.07 -2.79 0.00 0.00 178.44 176.34 3mc4 h LEU 122 N 0.53 0.51 -0.30 0.65 3.38 -0.88 -1.34 115.31 117.85 3mc4 h LEU 122 Ca 0.12 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3mc4 h LEU 122 Cb 0.39 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3mc4 h LEU 122 CO 0.01 0.43 -0.06 0.22 0.09 0.00 0.00 178.44 179.13 3mc4 h TYR 123 N 0.55 -0.13 -0.45 1.13 3.20 -0.77 0.12 116.97 120.62 3mc4 h TYR 123 Ca 0.15 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 3mc4 h TYR 123 Cb 0.02 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 3mc4 h TYR 123 CO -0.03 -0.11 0.18 0.87 -1.64 0.00 0.00 178.16 177.42 3mc4 h LYS 124 N 0.02 0.64 0.00 1.82 6.56 -0.90 0.29 116.57 125.00 3mc4 h LYS 124 Ca 0.15 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 3mc4 h LYS 124 Cb 0.22 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.76 3mc4 h LYS 124 CO -0.30 0.54 0.00 1.04 -2.06 0.00 0.00 179.45 178.67 3mc4 n GLN 125 N -4.36 0.71 -1.03 3.15 1.13 -0.54 -4.87 117.38 111.57 3mc4 n GLN 125 Ca 0.03 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.09 3mc4 n GLN 125 Cb 0.15 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.00 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 0.45 0.48 2.72 1.08 0.00 0.09 -4.96 105.19 105.06 3mc4 n GLY 126 Ca 0.17 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.45 3.94 0.01 1.61 1.74 0.35 -4.81 116.66 117.04 3mc4 n ARG 127 Ca -0.01 -3.47 -0.12 0.00 -0.77 0.00 0.00 57.85 53.49 3mc4 n ARG 127 Cb 0.10 -2.83 0.01 0.00 -1.02 0.00 0.00 32.46 28.72 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 5.35 0.59 -0.64 5.56 1.57 -1.83 -1.84 116.57 125.33 3mc4 h LYS 128 Ca 0.51 -0.42 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3mc4 h LYS 128 Cb 0.51 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 3mc4 h LYS 128 CO 1.59 1.04 0.40 -0.44 -0.57 0.00 0.00 179.45 181.47 3mc4 h ASP 129 N 0.43 0.67 -0.62 0.86 3.32 -1.96 0.21 116.42 119.32 3mc4 h ASP 129 Ca -0.01 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 3mc4 h ASP 129 Cb 1.22 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 3mc4 h ASP 129 CO 0.12 0.47 0.14 0.15 -1.72 0.00 0.00 179.24 178.40 3mc4 h PHE 130 N 0.80 1.08 -0.37 4.55 3.04 -1.92 1.00 116.94 125.11 3mc4 h PHE 130 Ca 0.25 -0.12 -0.05 0.00 3.98 0.00 0.00 57.97 62.03 3mc4 h PHE 130 Cb -0.00 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.19 3mc4 h PHE 130 CO -0.05 0.89 0.03 0.00 -2.02 0.00 0.00 178.31 177.16 3mc4 h ALA 131 N 1.17 0.49 -0.26 2.41 0.00 -0.91 -2.07 119.26 120.09 3mc4 h ALA 131 Ca 0.20 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3mc4 h ALA 131 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3mc4 h ALA 131 CO 0.00 0.24 -0.23 1.88 0.00 0.00 0.00 179.25 181.13 3mc4 h TYR 132 N 0.46 0.56 -0.38 0.00 0.05 -0.35 -0.73 116.97 116.58 3mc4 h TYR 132 Ca 0.11 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3mc4 h TYR 132 Cb 0.42 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 3mc4 h TYR 132 CO 0.03 0.70 0.25 -0.92 -1.05 0.00 0.00 178.16 177.17 3mc4 h TYR 133 N 0.44 0.48 -0.19 4.88 3.20 -0.64 0.19 116.97 125.34 3mc4 h TYR 133 Ca 0.07 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3mc4 h TYR 133 Cb 0.65 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3mc4 h TYR 133 CO 0.02 0.31 0.06 -0.07 -1.64 0.00 0.00 178.16 176.85 3mc4 h LEU 134 N 0.51 0.26 -0.58 2.82 3.38 -1.08 0.94 115.31 121.56 3mc4 h LEU 134 Ca 0.14 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.03 3mc4 h LEU 134 Cb -0.05 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.55 3mc4 h LEU 134 CO -0.03 0.38 0.12 -0.61 0.09 0.00 0.00 178.44 178.39 3mc4 h GLN 135 N 0.13 0.25 -0.24 1.13 4.15 -1.04 -0.37 115.11 119.11 3mc4 h GLN 135 Ca 0.06 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 3mc4 h GLN 135 Cb 0.21 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 3mc4 h GLN 135 CO -0.00 0.16 0.02 1.03 -1.93 0.00 0.00 178.83 178.11 3mc4 h SER 136 N 0.25 0.41 -0.43 -0.69 0.87 -0.65 -0.26 113.55 113.06 3mc4 h SER 136 Ca 0.30 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3mc4 h SER 136 Cb 0.44 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3mc4 h SER 136 CO -0.39 0.59 0.24 -0.09 -0.53 0.00 0.00 176.83 176.66 3mc4 h ARG 137 N 0.21 0.60 -0.68 2.24 9.65 -0.59 -2.25 114.38 123.55 3mc4 h ARG 137 Ca 0.07 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 58.84 3mc4 h ARG 137 Cb 0.37 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 3mc4 h ARG 137 CO 0.01 0.46 0.24 1.03 2.80 0.00 0.00 179.97 184.51 3mc4 h SER 138 N 0.56 0.96 -0.80 -3.80 0.87 -0.93 -0.98 113.55 109.43 3mc4 h SER 138 Ca 0.15 -0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.55 3mc4 h SER 138 Cb 0.03 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 61.70 3mc4 h SER 138 CO -0.03 0.89 0.53 -1.28 -0.53 0.00 0.00 176.83 176.41 3mc4 h SER 139 N 0.97 0.87 0.59 6.23 0.87 -0.79 0.16 113.55 122.45 3mc4 h SER 139 Ca 0.22 -0.01 -0.25 0.00 -1.23 0.00 0.00 61.79 60.52 3mc4 h SER 139 Cb 0.25 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3mc4 h SER 139 CO -0.01 0.61 -1.11 -1.28 -0.53 0.00 0.00 176.83 174.51 3mc4 h SER 140 N 1.02 0.39 0.00 6.23 0.87 -0.95 -2.78 113.55 118.33 3mc4 h SER 140 Ca 0.31 -0.38 -0.33 0.00 -1.23 0.00 0.00 61.79 60.16 3mc4 h SER 140 Cb -0.01 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 61.76 3mc4 h SER 140 CO -0.08 1.25 -2.24 -0.38 -0.53 0.00 0.00 176.83 174.85 3mc4 n ILE 141 N -3.58 1.24 0.84 2.23 2.08 -0.41 -4.53 119.36 117.23 3mc4 n ILE 141 Ca -0.07 -0.55 0.09 0.00 0.56 0.00 0.00 62.75 62.78 3mc4 n ILE 141 Cb 0.95 -1.08 -0.09 0.00 -0.75 0.00 0.00 39.64 38.66 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 -3.01 0.00 -2.05 1.39 3.72 0.48 -4.99 117.46 112.99 3mc4 n PHE 142 Ca -0.36 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 56.84 3mc4 n PHE 142 Cb 0.96 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.45 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 -1.26 -1.63 -3.87 -1.08 3.00 -0.64 -4.47 117.38 107.44 3mc4 n GLN 143 Ca 0.04 1.04 -0.36 0.00 -0.01 0.00 0.00 57.00 57.71 3mc4 n GLN 143 Cb 0.29 -5.57 -0.14 0.00 0.00 0.00 0.00 30.24 24.83 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 -2.84 3.43 -0.56 5.09 -4.23 -1.20 -1.00 115.64 114.32 3mc4 s THR 144 Ca 0.00 -0.70 -0.10 0.00 -1.18 0.00 0.00 61.69 59.71 3mc4 s THR 144 Cb 0.00 -2.68 0.14 0.00 1.34 0.00 0.00 72.50 71.30 3mc4 s THR 144 CO 0.00 0.25 0.45 -0.62 -0.54 0.00 0.00 174.62 174.16 3mc4 s ASP 145 N 1.44 5.90 -0.22 3.99 -1.08 0.53 -2.63 116.67 124.60 3mc4 s ASP 145 Ca 0.03 -2.15 -0.02 0.00 -0.52 0.00 0.00 52.55 49.90 3mc4 s ASP 145 Cb -0.16 -2.06 0.02 0.00 -1.46 0.00 0.00 42.92 39.26 3mc4 s ASP 145 CO -0.02 -0.66 -0.09 -0.63 0.52 0.00 0.00 175.17 174.29 3mc4 s ILE 146 N 1.02 2.80 0.25 4.11 1.01 -1.26 0.26 121.20 129.39 3mc4 s ILE 146 Ca 0.09 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 3mc4 s ILE 146 Cb -0.23 -2.33 -0.11 0.00 0.01 0.00 0.00 42.46 39.80 3mc4 s ILE 146 CO -0.02 0.34 1.55 -2.28 0.00 0.00 0.00 174.94 174.53 3mc4 s HIS 147 N 1.36 2.90 0.63 3.97 5.65 0.30 -4.83 115.29 125.27 3mc4 s HIS 147 Ca 0.03 0.81 0.33 0.00 0.25 0.00 0.00 55.06 56.47 3mc4 s HIS 147 Cb -0.15 -3.97 1.82 0.00 -1.18 0.00 0.00 32.58 29.09 3mc4 s HIS 147 CO -0.06 -3.32 2.10 -1.35 -0.65 0.00 0.00 174.74 171.46 3mc4 h PRO 148 N 5.34 0.00 0.00 2.88 0.11 -1.91 -0.53 132.00 137.89 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 0.82 0.00 -0.13 0.00 -0.21 0.00 0.00 178.00 178.48 3mc4 n ALA 149 N -2.15 2.46 -1.63 -0.75 0.00 -1.26 -3.84 120.51 113.34 3mc4 n ALA 149 Ca -0.00 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 52.99 3mc4 n ALA 149 Cb 0.30 -1.40 0.06 0.00 0.00 0.00 0.00 19.45 18.41 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 -3.09 2.36 -0.20 0.00 0.00 -0.21 -4.80 121.76 115.82 3mc4 s ALA 150 Ca 0.11 1.06 0.01 0.00 0.00 0.00 0.00 51.96 53.14 3mc4 s ALA 150 Cb 0.14 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.79 3mc4 s ALA 150 CO 0.61 -1.54 -0.17 1.03 0.00 0.00 0.00 175.76 175.69 3mc4 s ARG 151 N -3.51 2.71 -0.13 0.00 0.52 -1.03 -4.94 118.95 112.57 3mc4 s ARG 151 Ca 0.79 -0.95 -0.01 0.00 -0.52 0.00 0.00 55.73 55.04 3mc4 s ARG 151 Cb -0.33 -2.62 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 3mc4 s ARG 151 CO 0.39 -0.32 -0.11 -0.51 0.02 0.00 0.00 175.30 174.78 3mc4 s LEU 152 N 1.26 2.86 0.00 2.53 1.43 -1.26 -0.19 118.68 125.31 3mc4 s LEU 152 Ca 0.01 -0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 52.77 3mc4 s LEU 152 Cb -0.15 -1.65 0.11 0.00 0.03 0.00 0.00 46.19 44.52 3mc4 s LEU 152 CO -0.11 0.18 0.53 0.61 0.23 0.00 0.00 176.35 177.79 3mc4 n GLY 153 N 3.44 -1.73 3.99 -3.19 0.00 0.13 -4.98 105.19 102.85 3mc4 n GLY 153 Ca -0.18 -1.61 -0.20 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.95 5.34 -1.58 1.61 1.04 -1.26 -4.38 113.70 111.53 3mc4 s SER 154 Ca 0.31 -0.17 -0.14 0.00 0.48 0.00 0.00 55.95 56.44 3mc4 s SER 154 Cb -0.02 -0.75 0.10 0.00 0.10 0.00 0.00 66.02 65.46 3mc4 s SER 154 CO 0.22 -1.07 0.84 0.61 0.98 0.00 0.00 173.24 174.82 3mc4 n GLY 155 N -2.22 -0.44 3.76 7.32 0.00 -1.26 -1.05 105.19 111.30 3mc4 n GLY 155 Ca 0.08 0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 -7.22 4.42 -0.34 0.99 2.96 -1.26 -3.33 118.68 114.91 3mc4 s LEU 156 Ca 0.59 1.25 -0.02 0.00 -0.22 0.00 0.00 54.13 55.73 3mc4 s LEU 156 Cb -0.31 -3.02 0.07 0.00 0.50 0.00 0.00 46.19 43.43 3mc4 s LEU 156 CO 0.87 0.07 0.07 0.12 -1.32 0.00 0.00 176.35 176.16 3mc4 s PHE 157 N -0.12 3.39 -0.80 5.38 5.36 -0.59 -4.81 117.98 125.79 3mc4 s PHE 157 Ca 0.33 -2.08 -0.17 0.00 -0.96 0.00 0.00 56.93 54.05 3mc4 s PHE 157 Cb -0.19 -2.50 0.15 0.00 -0.34 0.00 0.00 43.02 40.14 3mc4 s PHE 157 CO 0.19 -0.86 0.88 -0.51 -1.46 0.00 0.00 175.22 173.46 3mc4 s LEU 158 N 1.21 5.76 -0.23 6.12 1.02 -1.26 -0.54 118.68 130.76 3mc4 s LEU 158 Ca -0.00 -2.10 -0.24 0.00 0.02 0.00 0.00 54.13 51.81 3mc4 s LEU 158 Cb -0.21 -2.30 -0.01 0.00 0.02 0.00 0.00 46.19 43.69 3mc4 s LEU 158 CO -0.02 -0.90 0.79 -0.62 0.02 0.00 0.00 176.35 175.61 3mc4 s ASP 159 N 3.11 6.80 0.00 2.29 2.15 0.05 -4.24 116.67 126.84 3mc4 s ASP 159 Ca 0.21 1.00 0.00 0.00 0.43 0.00 0.00 52.55 54.19 3mc4 s ASP 159 Cb -0.12 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 3mc4 s ASP 159 CO -0.05 -0.47 0.00 1.41 -0.17 0.00 0.00 175.17 175.90 3mc4 n HIS 160 N 5.81 0.00 0.00 -5.34 8.25 -1.26 -1.96 115.22 120.72 3mc4 n HIS 160 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3mc4 n HIS 160 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 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 -4.66 120.51 111.48 3mc4 n ALA 161 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 53.44 52.84 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 0.00 0.20 -0.30 0.00 -1.04 -1.26 -1.29 114.28 110.59 3mc4 n THR 162 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 3mc4 n THR 162 Cb 0.00 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.53 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 3.96 0.74 3.69 3.41 0.00 -0.17 -0.40 105.19 116.41 3mc4 n GLY 163 Ca 0.27 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.85 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 3.43 -3.88 0.99 7.94 -0.41 -4.24 117.00 120.83 3mc4 n LEU 164 Ca 0.00 1.11 -0.27 0.00 -1.11 0.00 0.00 56.01 55.74 3mc4 n LEU 164 Cb 0.00 -1.48 -0.17 0.00 0.53 0.00 0.00 43.42 42.31 3mc4 n LEU 164 CO 0.00 -0.21 -0.43 -0.69 -1.11 0.00 0.00 177.39 174.96 3mc4 s VAL 165 N 0.52 0.99 -0.15 1.96 1.01 -0.42 -0.35 120.40 123.95 3mc4 s VAL 165 Ca 0.73 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.34 3mc4 s VAL 165 Cb -0.61 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 34.70 3mc4 s VAL 165 CO 0.42 0.26 -0.17 -0.69 0.00 0.00 0.00 175.10 174.92 3mc4 s VAL 166 N 1.71 1.78 0.75 2.92 1.01 0.14 -0.65 120.40 128.06 3mc4 s VAL 166 Ca 0.03 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 3mc4 s VAL 166 Cb -0.14 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.66 3mc4 s VAL 166 CO -0.08 0.49 1.10 -0.83 0.00 0.00 0.00 175.10 175.79 3mc4 s GLY 167 N 1.30 1.62 0.46 4.51 0.00 -0.39 -0.54 107.32 114.29 3mc4 s GLY 167 Ca 0.03 -0.33 0.22 0.00 0.00 0.00 0.00 44.72 44.63 3mc4 s GLY 167 CO -0.10 0.07 1.88 -2.09 0.00 0.00 0.00 173.10 172.86 3mc4 h GLU 168 N -0.84 0.26 -0.32 2.90 4.81 -1.90 -2.48 114.58 117.02 3mc4 h GLU 168 Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3mc4 h GLU 168 Cb 1.27 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3mc4 h GLU 168 CO 0.63 0.17 0.00 0.25 -0.73 0.00 0.00 179.01 179.33 3mc4 n THR 169 N -4.44 1.37 -2.20 0.32 -2.24 -1.26 -3.09 114.28 102.74 3mc4 n THR 169 Ca 0.18 -1.25 -0.32 0.00 -2.27 0.00 0.00 64.05 60.38 3mc4 n THR 169 Cb 0.75 0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.53 2.89 -0.04 6.98 0.00 -0.93 -4.62 121.76 124.52 3mc4 s ALA 170 Ca 0.29 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.55 3mc4 s ALA 170 Cb 0.18 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 20.15 3mc4 s ALA 170 CO 0.14 -0.55 -0.03 0.08 0.00 0.00 0.00 175.76 175.40 3mc4 s VAL 171 N -2.54 0.43 -0.15 0.00 1.01 -0.33 -2.45 120.40 116.37 3mc4 s VAL 171 Ca 0.61 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.54 3mc4 s VAL 171 Cb -0.13 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.78 3mc4 s VAL 171 CO 0.35 0.20 -0.20 -0.69 0.00 0.00 0.00 175.10 174.76 3mc4 s VAL 172 N 0.93 2.18 0.00 2.92 1.01 0.74 -0.04 120.40 128.14 3mc4 s VAL 172 Ca -0.11 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.94 3mc4 s VAL 172 Cb -0.14 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.35 3mc4 s VAL 172 CO -0.00 0.54 0.00 -0.62 0.00 0.00 0.00 175.10 175.02 3mc4 n GLU 173 N 4.21 0.39 -2.00 2.72 1.02 0.11 0.19 120.64 127.29 3mc4 n GLU 173 Ca -0.20 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.62 3mc4 n GLU 173 Cb 0.51 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.94 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 -1.00 5.96 -1.39 1.62 1.01 -1.26 -3.92 116.67 117.68 3mc4 s ASP 174 Ca 0.00 1.65 -0.10 0.00 0.71 0.00 0.00 52.55 54.82 3mc4 s ASP 174 Cb 0.00 -2.51 0.03 0.00 1.01 0.00 0.00 42.92 41.45 3mc4 s ASP 174 CO 0.00 -1.05 1.14 0.59 0.21 0.00 0.00 175.17 176.06 3mc4 n ASN 175 N -2.28 -5.94 -4.90 0.27 5.03 -0.21 -1.95 115.26 105.27 3mc4 n ASN 175 Ca 0.08 -0.59 -0.31 0.00 0.87 0.00 0.00 54.58 54.63 3mc4 n ASN 175 Cb 0.53 -4.79 -0.04 0.00 -1.02 0.00 0.00 39.78 34.46 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 -3.32 5.13 -0.04 2.41 1.01 -1.23 -2.86 120.40 121.51 3mc4 s VAL 176 Ca 0.59 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.63 3mc4 s VAL 176 Cb -0.27 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 3mc4 s VAL 176 CO 0.75 -0.05 -0.19 -0.44 0.00 0.00 0.00 175.10 175.18 3mc4 s SER 177 N -2.63 2.28 -0.06 3.32 0.01 -0.30 -1.55 113.70 114.78 3mc4 s SER 177 Ca 0.42 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.31 3mc4 s SER 177 Cb -0.12 -0.51 0.02 0.00 0.21 0.00 0.00 66.02 65.62 3mc4 s SER 177 CO 0.26 0.19 -0.04 -0.63 0.41 0.00 0.00 173.24 173.43 3mc4 s ILE 178 N -0.13 0.54 0.77 1.44 1.01 0.30 -0.55 121.20 124.59 3mc4 s ILE 178 Ca -0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 3mc4 s ILE 178 Cb -0.10 -0.60 0.14 0.00 0.01 0.00 0.00 42.46 41.91 3mc4 s ILE 178 CO 0.01 0.25 1.07 -0.76 0.00 0.00 0.00 174.94 175.51 3mc4 s LEU 179 N 1.24 2.91 0.68 2.97 1.02 -0.46 -0.77 118.68 126.27 3mc4 s LEU 179 Ca -0.06 -0.17 -0.16 0.00 0.02 0.00 0.00 54.13 53.76 3mc4 s LEU 179 Cb -0.14 -2.13 0.01 0.00 0.02 0.00 0.00 46.19 43.96 3mc4 s LEU 179 CO -0.02 -2.05 1.22 -1.38 0.02 0.00 0.00 176.35 174.14 3mc4 s HIS 180 N -3.32 2.17 -0.04 0.29 -3.43 -0.83 -3.73 115.29 106.40 3mc4 s HIS 180 Ca 0.68 1.56 0.00 0.00 -0.80 0.00 0.00 55.06 56.49 3mc4 s HIS 180 Cb -0.05 -3.49 0.00 0.00 -1.43 0.00 0.00 32.58 27.60 3mc4 s HIS 180 CO 0.46 -2.51 0.00 0.41 -2.00 0.00 0.00 174.74 171.10 3mc4 n GLY 181 N 0.45 0.46 3.79 -1.38 0.00 0.46 -1.22 105.19 107.75 3mc4 n GLY 181 Ca 0.14 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.99 4.86 -0.18 1.61 1.01 -1.24 -3.41 120.40 121.05 3mc4 s VAL 182 Ca 0.00 1.19 -0.02 0.00 0.00 0.00 0.00 61.98 63.14 3mc4 s VAL 182 Cb 0.00 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 3mc4 s VAL 182 CO 0.00 0.48 -0.08 -0.89 0.00 0.00 0.00 175.10 174.62 3mc4 s THR 183 N -0.61 3.27 -0.84 3.92 2.01 -0.47 -1.31 115.64 121.61 3mc4 s THR 183 Ca 0.29 -0.55 -0.09 0.00 0.31 0.00 0.00 61.69 61.65 3mc4 s THR 183 Cb -0.18 -2.45 0.22 0.00 0.01 0.00 0.00 72.50 70.10 3mc4 s THR 183 CO 0.17 0.47 0.76 -0.76 -0.69 0.00 0.00 174.62 174.57 3mc4 s LEU 184 N 1.01 6.20 0.00 4.42 1.43 0.18 -0.59 118.68 131.33 3mc4 s LEU 184 Ca -0.00 -3.03 0.00 0.00 -1.03 0.00 0.00 54.13 50.07 3mc4 s LEU 184 Cb -0.15 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.98 3mc4 s LEU 184 CO -0.00 -0.43 0.00 0.61 0.23 0.00 0.00 176.35 176.76 3mc4 n GLY 185 N 3.42 5.93 0.00 -3.19 0.00 -0.42 -1.26 105.19 109.67 3mc4 n GLY 185 Ca 0.15 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.60 3mc4 n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mc4 n GLY 186 N 1.89 6.15 1.46 -0.02 0.00 -1.26 -1.17 105.19 112.24 3mc4 n GLY 186 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3mc4 n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mc4 n GLY 192 N 3.74 0.00 3.63 -0.02 0.00 -1.26 -4.51 105.19 106.77 3mc4 n GLY 192 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3mc4 n GLY 192 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mc4 s ASP 193 N -0.95 6.28 0.00 1.61 1.11 -1.26 -4.82 116.67 118.64 3mc4 s ASP 193 Ca 0.00 1.84 0.00 0.00 0.18 0.00 0.00 52.55 54.57 3mc4 s ASP 193 Cb 0.00 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.46 3mc4 s ASP 193 CO 0.00 -1.31 0.39 -2.11 1.18 0.00 0.00 175.17 173.32 3mc4 n ARG 194 N 7.76 0.00 -4.37 8.23 1.85 -1.26 -4.59 116.66 124.29 3mc4 n ARG 194 Ca 0.20 -0.39 -0.19 0.00 -1.00 0.00 0.00 57.85 56.48 3mc4 n ARG 194 Cb 0.44 -0.50 -0.10 0.00 -1.05 0.00 0.00 32.46 31.25 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 1.71 0.64 2.89 3.76 -1.23 -3.08 115.29 119.98 3mc4 s HIS 195 Ca 0.00 -0.77 -0.15 0.00 -0.15 0.00 0.00 55.06 53.98 3mc4 s HIS 195 Cb 0.00 -0.96 -0.01 0.00 1.11 0.00 0.00 32.58 32.72 3mc4 s HIS 195 CO 0.00 0.15 1.10 -2.14 -0.85 0.00 0.00 174.74 173.00 3mc4 s PRO 196 N -3.77 2.94 -0.31 8.40 0.02 -0.74 -4.17 135.00 137.37 3mc4 s PRO 196 Ca 0.27 1.37 -0.03 0.00 0.02 0.00 0.00 61.00 62.63 3mc4 s PRO 196 Cb 0.04 -1.97 0.05 0.00 0.02 0.00 0.00 34.50 32.64 3mc4 s PRO 196 CO 0.09 -1.14 0.03 0.15 -0.33 0.00 0.00 177.00 175.80 3mc4 s LYS 197 N -4.04 2.48 -0.30 5.54 -0.14 -0.30 -1.19 119.74 121.80 3mc4 s LYS 197 Ca 0.67 -1.24 -0.12 0.00 -1.36 0.00 0.00 55.97 53.92 3mc4 s LYS 197 Cb -0.20 -3.26 -0.04 0.00 -1.68 0.00 0.00 37.83 32.65 3mc4 s LYS 197 CO 0.40 -0.63 0.22 0.42 -0.76 0.00 0.00 175.35 174.99 3mc4 s ILE 198 N 1.30 5.29 0.77 2.17 -1.09 0.94 -1.37 121.20 129.22 3mc4 s ILE 198 Ca -0.04 0.08 -0.09 0.00 -2.23 0.00 0.00 60.65 58.37 3mc4 s ILE 198 Cb -0.20 -3.60 0.10 0.00 -1.58 0.00 0.00 42.46 37.18 3mc4 s ILE 198 CO 0.00 0.16 1.10 -0.13 -1.23 0.00 0.00 174.94 174.84 3mc4 s ARG 199 N 1.78 1.79 0.53 2.79 1.81 -0.53 -0.71 118.95 126.42 3mc4 s ARG 199 Ca 0.07 -0.32 -0.21 0.00 -1.72 0.00 0.00 55.73 53.55 3mc4 s ARG 199 Cb -0.16 -2.09 -0.05 0.00 -0.45 0.00 0.00 34.95 32.19 3mc4 s ARG 199 CO 0.11 -1.55 1.23 1.14 -0.68 0.00 0.00 175.30 175.54 3mc4 s GLN 200 N -5.42 3.30 0.00 3.54 1.03 -1.26 -3.44 119.66 117.41 3mc4 s GLN 200 Ca 0.64 1.90 0.00 0.00 0.04 0.00 0.00 55.36 57.94 3mc4 s GLN 200 Cb -0.09 -2.18 0.00 0.00 0.03 0.00 0.00 33.01 30.78 3mc4 s GLN 200 CO 0.47 -0.96 0.00 0.41 -2.54 0.00 0.00 175.29 172.67 3mc4 n GLY 201 N 0.52 0.57 3.77 2.60 0.00 -0.82 -4.34 105.19 107.48 3mc4 n GLY 201 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.37 3.67 -0.19 1.61 1.01 -1.22 -4.48 120.40 118.43 3mc4 s VAL 202 Ca 0.00 1.49 -0.05 0.00 0.00 0.00 0.00 61.98 63.42 3mc4 s VAL 202 Cb 0.00 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3mc4 s VAL 202 CO 0.00 0.21 -0.01 -0.22 0.00 0.00 0.00 175.10 175.09 3mc4 s LEU 203 N -1.95 3.29 -0.29 3.92 2.96 -0.83 -1.15 118.68 124.63 3mc4 s LEU 203 Ca 0.50 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.21 3mc4 s LEU 203 Cb -0.27 -1.82 0.03 0.00 0.50 0.00 0.00 46.19 44.63 3mc4 s LEU 203 CO 0.34 0.10 0.02 -0.63 -1.32 0.00 0.00 176.35 174.85 3mc4 s ILE 204 N 0.80 3.33 0.89 6.68 1.01 0.29 -0.52 121.20 133.68 3mc4 s ILE 204 Ca 0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 3mc4 s ILE 204 Cb -0.14 -2.79 0.12 0.00 0.01 0.00 0.00 42.46 39.67 3mc4 s ILE 204 CO 0.02 0.03 1.12 -0.83 0.00 0.00 0.00 174.94 175.28 3mc4 s GLY 205 N 1.36 1.59 0.19 6.18 0.00 0.97 -1.35 107.32 116.26 3mc4 s GLY 205 Ca -0.01 -0.40 -0.33 0.00 0.00 0.00 0.00 44.72 43.99 3mc4 s GLY 205 CO -0.01 0.13 1.58 0.00 0.00 0.00 0.00 173.10 174.80 3mc4 n ALA 206 N -3.73 1.67 -0.99 3.20 0.00 -1.26 -2.07 120.51 117.34 3mc4 n ALA 206 Ca 0.07 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3mc4 n ALA 206 Cb 0.58 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3mc4 n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mc4 n GLY 207 N 3.24 0.83 3.77 0.00 0.00 -0.36 -0.38 105.19 112.29 3mc4 n GLY 207 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.35 2.93 -0.15 4.61 0.00 -0.88 -4.31 121.76 120.62 3mc4 s ALA 208 Ca 0.00 0.97 0.02 0.00 0.00 0.00 0.00 51.96 52.95 3mc4 s ALA 208 Cb 0.00 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.73 3mc4 s ALA 208 CO 0.00 -0.75 -0.21 0.15 0.00 0.00 0.00 175.76 174.95 3mc4 s LYS 209 N -2.78 3.04 -0.20 0.00 -0.14 0.17 -1.37 119.74 118.46 3mc4 s LYS 209 Ca 0.65 -0.84 0.02 0.00 -1.36 0.00 0.00 55.97 54.44 3mc4 s LYS 209 Cb -0.29 -2.49 0.03 0.00 -1.68 0.00 0.00 37.83 33.40 3mc4 s LYS 209 CO 0.35 -0.04 -0.17 0.42 -0.76 0.00 0.00 175.35 175.15 3mc4 s ILE 210 N 0.90 2.09 -0.05 2.17 1.01 0.24 -0.21 121.20 127.35 3mc4 s ILE 210 Ca -0.05 -1.15 0.03 0.00 0.00 0.00 0.00 60.65 59.48 3mc4 s ILE 210 Cb -0.15 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.34 3mc4 s ILE 210 CO -0.04 0.36 -0.12 -0.76 0.00 0.00 0.00 174.94 174.39 3mc4 s LEU 211 N 1.23 1.73 0.00 2.97 1.43 -0.65 -1.30 118.68 124.10 3mc4 s LEU 211 Ca 0.01 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3mc4 s LEU 211 Cb -0.15 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.32 3mc4 s LEU 211 CO -0.11 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.15 3mc4 n GLY 212 N 3.50 0.79 2.73 -3.19 0.00 -0.31 -4.61 105.19 104.09 3mc4 n GLY 212 Ca -0.20 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.29 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 4.32 -4.54 1.61 5.15 -1.18 -1.79 115.26 118.84 3mc4 n ASN 213 Ca 0.00 -2.87 -0.25 0.00 -0.60 0.00 0.00 54.58 50.85 3mc4 n ASN 213 Cb 0.00 -1.62 -0.10 0.00 -0.53 0.00 0.00 39.78 37.52 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 2.69 2.32 0.06 -1.44 -4.36 -1.26 -4.96 121.20 114.25 3mc4 s ILE 214 Ca 0.47 -2.23 0.08 0.00 -0.26 0.00 0.00 60.65 58.71 3mc4 s ILE 214 Cb 0.14 -2.59 -0.03 0.00 1.25 0.00 0.00 42.46 41.22 3mc4 s ILE 214 CO -0.07 -0.24 -0.20 0.00 0.24 0.00 0.00 174.94 174.67 3mc4 s GLN 215 N -3.60 1.94 -0.27 0.37 -2.07 -1.26 -1.15 119.66 113.62 3mc4 s GLN 215 Ca 0.32 -1.06 -0.06 0.00 -1.82 0.00 0.00 55.36 52.74 3mc4 s GLN 215 Cb 0.01 -2.13 0.00 0.00 -1.09 0.00 0.00 33.01 29.80 3mc4 s GLN 215 CO 0.16 0.52 0.04 0.08 -1.32 0.00 0.00 175.29 174.78 3mc4 s VAL 216 N -0.96 3.81 0.77 3.63 1.01 -0.47 -0.69 120.40 127.51 3mc4 s VAL 216 Ca 0.15 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 3mc4 s VAL 216 Cb -0.10 -2.90 0.06 0.00 0.00 0.00 0.00 36.38 33.44 3mc4 s VAL 216 CO 0.06 0.19 1.19 -0.83 0.00 0.00 0.00 175.10 175.71 3mc4 s GLY 217 N 1.50 2.18 0.00 4.51 0.00 0.11 -1.45 107.32 114.16 3mc4 s GLY 217 Ca 0.03 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.55 3mc4 s GLY 217 CO 0.01 1.20 0.18 -1.06 0.00 0.00 0.00 173.10 173.43 3mc4 n GLN 218 N -3.09 0.00 0.00 2.90 6.02 -1.26 -4.53 117.38 117.42 3mc4 n GLN 218 Ca 0.13 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3mc4 n GLN 218 Cb 0.51 -1.08 0.00 0.00 1.02 0.00 0.00 30.24 30.69 3mc4 n GLN 218 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3mc4 n SER 220 N 2.71 0.00 -4.35 1.08 7.64 -1.26 -1.32 113.62 118.12 3mc4 n SER 220 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 3mc4 n SER 220 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 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 -2.66 2.67 -0.30 1.43 1.02 -0.47 -1.97 119.74 119.46 3mc4 s LYS 221 Ca 0.00 -0.80 -0.05 0.00 0.02 0.00 0.00 55.97 55.14 3mc4 s LYS 221 Cb 0.00 -2.31 0.03 0.00 -0.52 0.00 0.00 37.83 35.03 3mc4 s LYS 221 CO 0.00 0.43 0.04 0.42 -0.92 0.00 0.00 175.35 175.33 3mc4 s ILE 222 N -0.26 3.49 0.53 2.17 -1.09 0.32 -1.66 121.20 124.71 3mc4 s ILE 222 Ca 0.00 -1.05 -0.22 0.00 -2.23 0.00 0.00 60.65 57.15 3mc4 s ILE 222 Cb -0.13 -2.90 -0.06 0.00 -1.58 0.00 0.00 42.46 37.79 3mc4 s ILE 222 CO 0.03 -0.03 1.29 0.00 -1.23 0.00 0.00 174.94 175.00 3mc4 n ALA 223 N 4.76 1.33 -1.41 9.38 0.00 0.11 -0.02 120.51 134.66 3mc4 n ALA 223 Ca -0.14 0.13 -0.54 0.00 0.00 0.00 0.00 53.44 52.89 3mc4 n ALA 223 Cb 0.46 -2.31 -0.07 0.00 0.00 0.00 0.00 19.45 17.53 3mc4 n ALA 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mc4 n ALA 224 N -1.00 -3.38 -0.95 0.00 0.00 -1.26 -2.23 120.51 111.69 3mc4 n ALA 224 Ca 0.10 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3mc4 n ALA 224 Cb 0.44 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 1.51 0.69 3.76 0.00 0.00 0.49 -4.78 105.19 106.85 3mc4 n GLY 225 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.53 5.37 -0.27 1.61 0.01 -0.95 -4.69 113.70 112.25 3mc4 s SER 226 Ca 0.00 2.42 0.03 0.00 1.31 0.00 0.00 55.95 59.71 3mc4 s SER 226 Cb 0.00 -2.60 0.07 0.00 0.21 0.00 0.00 66.02 63.69 3mc4 s SER 226 CO 0.00 -1.47 -0.07 -0.69 0.41 0.00 0.00 173.24 171.42 3mc4 s VAL 227 N -1.55 2.05 -0.38 3.43 1.01 -0.61 -0.66 120.40 123.70 3mc4 s VAL 227 Ca 0.74 -1.69 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 3mc4 s VAL 227 Cb -0.31 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 33.83 3mc4 s VAL 227 CO 0.35 -0.16 0.22 -0.69 0.00 0.00 0.00 175.10 174.81 3mc4 s VAL 228 N 1.12 4.66 -0.41 2.92 1.01 0.71 -0.39 120.40 130.02 3mc4 s VAL 228 Ca -0.04 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3mc4 s VAL 228 Cb -0.20 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.62 3mc4 s VAL 228 CO -0.06 -0.23 0.58 0.18 0.00 0.00 0.00 175.10 175.57 3mc4 n LEU 229 N 5.02 1.22 -4.03 3.92 4.77 -1.26 -1.64 117.00 125.01 3mc4 n LEU 229 Ca -0.12 -0.97 -0.10 0.00 -0.03 0.00 0.00 56.01 54.78 3mc4 n LEU 229 Cb 0.46 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 3mc4 n LEU 229 CO 0.37 0.27 -0.38 -0.54 -1.33 0.00 0.00 177.39 175.78 3mc4 s LYS 230 N -0.34 0.44 0.56 3.23 1.02 -1.26 -4.96 119.74 118.42 3mc4 s LYS 230 Ca 0.04 -0.74 -0.21 0.00 0.02 0.00 0.00 55.97 55.08 3mc4 s LYS 230 Cb 0.03 -0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.25 3mc4 s LYS 230 CO 0.05 -0.01 1.34 -1.12 -0.92 0.00 0.00 175.35 174.68 3mc4 s SER 231 N -1.67 5.21 -0.14 2.83 0.01 -1.26 -4.89 113.70 113.77 3mc4 s SER 231 Ca -0.11 2.71 -0.02 0.00 1.31 0.00 0.00 55.95 59.84 3mc4 s SER 231 Cb -0.08 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.50 3mc4 s SER 231 CO -0.01 -1.61 -0.08 -0.69 0.41 0.00 0.00 173.24 171.26 3mc4 s VAL 232 N -1.34 3.47 0.82 3.43 1.01 0.13 -4.97 120.40 122.95 3mc4 s VAL 232 Ca 0.73 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 62.08 3mc4 s VAL 232 Cb -0.39 -2.49 0.09 0.00 0.00 0.00 0.00 36.38 33.58 3mc4 s VAL 232 CO 0.45 0.51 1.17 -2.84 0.00 0.00 0.00 175.10 174.40 3mc4 s PRO 233 N 0.37 1.64 0.61 2.72 0.02 -1.26 0.04 135.00 139.14 3mc4 s PRO 233 Ca -0.07 1.63 -0.18 0.00 0.02 0.00 0.00 61.00 62.40 3mc4 s PRO 233 Cb -0.15 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.55 3mc4 s PRO 233 CO 0.04 -2.18 1.19 -3.38 -0.33 0.00 0.00 177.00 172.34 3mc4 s HIS 234 N -2.34 2.40 -1.34 6.54 -3.43 -1.26 -3.93 115.29 111.93 3mc4 s HIS 234 Ca 0.70 1.53 -0.06 0.00 -0.80 0.00 0.00 55.06 56.43 3mc4 s HIS 234 Cb -0.26 -3.43 0.02 0.00 -1.43 0.00 0.00 32.58 27.48 3mc4 s HIS 234 CO 0.52 -2.14 1.02 0.09 -2.00 0.00 0.00 174.74 172.23 3mc4 n ASN 235 N -1.76 -4.03 -4.20 7.38 4.13 -0.43 -4.91 115.26 111.44 3mc4 n ASN 235 Ca 0.13 -0.65 -0.14 0.00 1.68 0.00 0.00 54.58 55.60 3mc4 n ASN 235 Cb 0.50 -4.69 -0.10 0.00 -1.54 0.00 0.00 39.78 33.95 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 0.97 -0.11 2.41 -7.23 -1.25 -2.82 120.40 108.98 3mc4 s VAL 236 Ca 0.34 -1.81 -0.04 0.00 -1.81 0.00 0.00 61.98 58.66 3mc4 s VAL 236 Cb -0.16 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 3mc4 s VAL 236 CO 0.76 -0.67 0.06 -0.89 -0.31 0.00 0.00 175.10 174.06 3mc4 s THR 237 N -2.89 4.80 0.05 5.32 2.01 0.22 -1.37 115.64 123.78 3mc4 s THR 237 Ca 0.10 -0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.10 3mc4 s THR 237 Cb 0.00 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 3mc4 s THR 237 CO -0.01 0.59 -0.17 0.68 -0.69 0.00 0.00 174.62 175.02 3mc4 s VAL 238 N -0.75 1.36 0.05 3.82 -7.23 -0.66 -0.05 120.40 116.93 3mc4 s VAL 238 Ca 0.12 -1.16 -0.17 0.00 -1.81 0.00 0.00 61.98 58.96 3mc4 s VAL 238 Cb -0.12 -1.22 0.03 0.00 0.56 0.00 0.00 36.38 35.63 3mc4 s VAL 238 CO 0.03 0.04 0.39 0.00 -0.31 0.00 0.00 175.10 175.25 3mc4 s ALA 239 N -0.91 -0.94 0.00 1.32 0.00 -0.45 -0.71 121.76 120.06 3mc4 s ALA 239 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3mc4 s ALA 239 Cb -0.09 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.42 3mc4 s ALA 239 CO 0.02 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.72 3mc4 n GLY 240 N 0.42 1.86 2.91 0.00 0.00 -1.26 -0.72 105.19 108.39 3mc4 n GLY 240 Ca -0.18 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.40 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 -1.80 1.65 0.70 1.61 1.01 -1.26 -1.57 120.40 120.73 3mc4 s VAL 241 Ca 0.00 -1.79 -0.11 0.00 0.00 0.00 0.00 61.98 60.08 3mc4 s VAL 241 Cb 0.00 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.24 3mc4 s VAL 241 CO 0.00 -0.52 1.06 -2.16 0.00 0.00 0.00 175.10 173.48 3mc4 s PRO 242 N 1.25 2.89 0.28 2.72 0.04 -1.26 -5.02 135.00 135.89 3mc4 s PRO 242 Ca 0.07 0.82 -0.29 0.00 0.04 0.00 0.00 61.00 61.64 3mc4 s PRO 242 Cb -0.18 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 3mc4 s PRO 242 CO -0.14 -1.10 1.39 0.00 0.04 0.00 0.00 177.00 177.19 3mc4 s ALA 243 N -3.11 3.57 0.09 8.56 0.00 0.48 -4.88 121.76 126.47 3mc4 s ALA 243 Ca 0.58 1.30 0.06 0.00 0.00 0.00 0.00 51.96 53.90 3mc4 s ALA 243 Cb -0.13 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 3mc4 s ALA 243 CO 0.54 -0.71 -0.16 1.03 0.00 0.00 0.00 175.76 176.46 3mc4 s ARG 244 N -0.94 0.97 0.10 0.00 1.81 0.10 -4.88 118.95 116.10 3mc4 s ARG 244 Ca 0.55 -1.09 -0.31 0.00 -1.72 0.00 0.00 55.73 53.16 3mc4 s ARG 244 Cb -0.41 -1.02 -0.08 0.00 -0.45 0.00 0.00 34.95 32.98 3mc4 s ARG 244 CO 0.47 0.22 1.58 0.42 -0.68 0.00 0.00 175.30 177.32 3mc4 s ILE 245 N -1.46 3.00 -0.77 1.52 1.01 -1.26 -1.34 121.20 121.90 3mc4 s ILE 245 Ca 0.03 0.57 0.07 0.00 0.00 0.00 0.00 60.65 61.33 3mc4 s ILE 245 Cb -0.09 -3.37 0.04 0.00 0.01 0.00 0.00 42.46 39.05 3mc4 s ILE 245 CO 0.03 0.02 0.65 2.30 0.00 0.00 0.00 174.94 177.94 3mc4 n ILE 246 N 4.42 0.00 0.00 2.92 -5.35 0.92 -4.95 119.36 117.33 3mc4 n ILE 246 Ca 0.15 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 3mc4 n ILE 246 Cb 0.40 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 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 0.49 -0.77 3.92 3.28 0.00 -1.21 -4.97 105.19 105.93 3mc4 n GLY 247 Ca 0.04 -1.20 -0.21 0.00 0.00 0.00 0.00 46.02 44.64 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 3.27 0.13 1.61 8.01 -1.26 -0.61 118.70 127.85 3mc4 s GLU 248 Ca 0.00 -0.86 -0.21 0.00 0.01 0.00 0.00 54.97 53.91 3mc4 s GLU 248 Cb 0.00 -2.78 0.06 0.00 -4.31 0.00 0.00 34.13 27.09 3mc4 s GLU 248 CO 0.00 0.41 0.54 -0.08 0.01 0.00 0.00 175.26 176.14 3mc4 s THR 249 N -2.04 0.02 -2.39 3.63 -1.32 -1.13 -4.68 115.64 107.74 3mc4 s THR 249 Ca 0.34 -0.18 0.19 0.00 -1.21 0.00 0.00 61.69 60.83 3mc4 s THR 249 Cb -0.09 -1.04 0.15 0.00 -1.51 0.00 0.00 72.50 70.01 3mc4 s THR 249 CO 0.28 -0.10 1.11 0.61 -2.21 0.00 0.00 174.62 174.30