#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oze h GLN 11 N 0.00 -0.30 -6.64 -0.52 4.15 -2.02 -3.44 115.11 106.33 1oze h GLN 11 Ca 0.00 0.02 -0.52 0.00 0.77 0.00 0.00 58.65 58.92 1oze h GLN 11 Cb 0.00 0.07 0.02 0.00 0.21 0.00 0.00 27.48 27.78 1oze h GLN 11 CO 0.00 -0.19 0.57 -0.51 -1.93 0.00 0.00 178.83 176.78 1oze s ASP 12 N -5.20 7.06 0.23 -0.69 1.01 -1.26 -4.92 116.67 112.89 1oze s ASP 12 Ca -0.05 2.23 -0.06 0.00 0.71 0.00 0.00 52.55 55.38 1oze s ASP 12 Cb 0.00 -2.60 0.33 0.00 1.01 0.00 0.00 42.92 41.66 1oze s ASP 12 CO 0.15 -0.41 1.81 0.25 0.21 0.00 0.00 175.17 177.19 1oze h LEU 13 N 5.46 0.62 -1.80 1.23 5.85 -1.87 0.97 115.31 125.78 1oze h LEU 13 Ca -0.44 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1oze h LEU 13 Cb 1.21 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1oze h LEU 13 CO 0.76 0.38 0.03 0.77 -0.34 0.00 0.00 178.44 180.04 1oze h SER 14 N 0.75 0.13 0.61 1.25 4.64 -1.88 0.21 113.55 119.27 1oze h SER 14 Ca 0.36 -0.01 -0.25 0.00 -0.47 0.00 0.00 61.79 61.42 1oze h SER 14 Cb 0.28 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1oze h SER 14 CO -0.22 0.14 -1.11 -0.08 -0.87 0.00 0.00 176.83 174.69 1oze h GLU 15 N 0.15 0.26 -0.24 4.77 4.81 -1.41 -2.96 114.58 119.96 1oze h GLU 15 Ca 0.04 -0.38 -0.14 0.00 -0.13 0.00 0.00 59.36 58.75 1oze h GLU 15 Cb 0.06 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1oze h GLU 15 CO -0.00 1.14 -0.41 0.00 -0.73 0.00 0.00 179.01 179.00 1oze h ALA 16 N 0.71 0.37 0.37 2.92 0.00 0.21 -2.67 119.26 121.17 1oze h ALA 16 Ca -0.10 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1oze h ALA 16 Cb 1.81 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 1oze h ALA 16 CO 0.18 0.48 -0.20 -0.07 0.00 0.00 0.00 179.25 179.64 1oze h LEU 17 N 0.42 -0.49 -0.61 0.00 3.38 -0.69 -0.25 115.31 117.08 1oze h LEU 17 Ca 0.02 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1oze h LEU 17 Cb 1.01 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.83 1oze h LEU 17 CO 0.09 -0.33 0.28 0.50 0.09 0.00 0.00 178.44 179.07 1oze h LYS 18 N -0.53 0.49 -0.13 1.13 3.64 -1.59 -1.95 116.57 117.62 1oze h LYS 18 Ca -0.05 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1oze h LYS 18 Cb 0.42 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1oze h LYS 18 CO 0.06 0.32 0.07 1.49 -2.27 0.00 0.00 179.45 179.13 1oze h GLU 19 N 0.50 0.18 0.00 1.90 4.22 -1.23 -2.92 114.58 117.23 1oze h GLU 19 Ca 0.29 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.71 1oze h GLU 19 Cb 0.29 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1oze h GLU 19 CO -0.24 0.19 0.00 0.00 -2.18 0.00 0.00 179.01 176.78 1oze h ALA 20 N 0.98 1.00 -0.16 2.92 0.00 -0.80 -3.22 119.26 119.98 1oze h ALA 20 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1oze h ALA 20 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1oze h ALA 20 CO -0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.49 1oze n THR 21 N -2.84 0.20 -0.13 0.00 -2.24 -0.76 -4.48 114.28 104.03 1oze n THR 21 Ca 0.02 -0.60 -0.05 0.00 -2.27 0.00 0.00 64.05 61.15 1oze n THR 21 Cb 0.35 1.27 0.03 0.00 -2.10 0.00 0.00 70.33 69.87 1oze n THR 21 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1oze h LYS 22 N 4.24 0.35 0.30 -0.78 3.11 -1.53 0.17 116.57 122.43 1oze h LYS 22 Ca 0.00 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.81 1oze h LYS 22 Cb 0.92 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 32.07 1oze h LYS 22 CO 0.00 0.23 -0.17 1.49 -2.81 0.00 0.00 179.45 178.19 1oze h GLU 23 N 0.36 -0.43 -0.11 1.90 4.81 -1.83 -1.62 114.58 117.67 1oze h GLU 23 Ca 0.19 0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.37 1oze h GLU 23 Cb 0.15 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1oze h GLU 23 CO -0.17 -0.29 -0.32 -0.39 -0.73 0.00 0.00 179.01 177.11 1oze h VAL 24 N -0.44 1.27 -0.83 0.32 -1.51 -1.79 -2.35 116.25 110.91 1oze h VAL 24 Ca -0.03 -1.28 -0.03 0.00 -1.23 0.00 0.00 66.70 64.12 1oze h VAL 24 Cb 0.36 1.55 -0.04 0.00 -2.13 0.00 0.00 31.29 31.03 1oze h VAL 24 CO 0.04 0.38 0.39 -0.74 -1.23 0.00 0.00 177.57 176.41 1oze h HIS 25 N 0.18 1.21 -0.67 5.19 -0.00 -0.47 -1.01 115.15 119.59 1oze h HIS 25 Ca 0.02 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.30 1oze h HIS 25 Cb 0.67 -0.37 -0.03 0.00 -0.00 0.00 0.00 27.41 27.67 1oze h HIS 25 CO 0.01 0.88 0.30 1.15 -0.00 0.00 0.00 177.93 180.28 1oze h THR 26 N 1.19 1.23 -0.82 6.26 2.02 -0.83 -1.63 112.91 120.34 1oze h THR 26 Ca 0.28 -0.68 0.01 0.00 0.77 0.00 0.00 66.41 66.79 1oze h THR 26 Cb 0.14 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 1oze h THR 26 CO -0.03 0.28 0.54 1.56 0.37 0.00 0.00 175.52 178.24 1oze h GLN 27 N 0.94 1.06 -0.05 6.66 4.20 -0.87 0.11 115.11 127.16 1oze h GLN 27 Ca 0.23 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 1oze h GLN 27 Cb 0.15 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1oze h GLN 27 CO -0.03 0.70 0.03 0.00 -0.67 0.00 0.00 178.83 178.87 1oze h ALA 28 N 1.50 0.07 -0.35 3.87 0.00 -0.46 -1.02 119.26 122.86 1oze h ALA 28 Ca 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1oze h ALA 28 Cb -0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1oze h ALA 28 CO -0.07 -0.40 0.15 0.93 0.00 0.00 0.00 179.25 179.86 1oze h GLU 29 N 0.01 0.48 0.00 0.00 5.08 -0.42 -2.21 114.58 117.52 1oze h GLU 29 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1oze h GLU 29 Cb 0.06 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1oze h GLU 29 CO -0.00 0.39 0.00 -0.91 -1.00 0.00 0.00 179.01 177.49 1oze h ASN 30 N 0.48 0.00 -2.41 1.42 2.35 -0.30 -3.33 115.58 113.78 1oze h ASN 30 Ca 0.12 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.29 1oze h ASN 30 Cb 0.09 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.52 1oze h ASN 30 CO -0.01 0.00 0.71 0.00 -1.65 0.00 0.00 177.43 176.48 1oze n ALA 31 N -1.86 1.18 -0.28 -0.83 0.00 -0.43 -4.66 120.51 113.63 1oze n ALA 31 Ca 0.04 0.44 0.10 0.00 0.00 0.00 0.00 53.44 54.02 1oze n ALA 31 Cb 0.41 -2.31 0.24 0.00 0.00 0.00 0.00 19.45 17.80 1oze n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1oze h GLU 32 N 5.19 0.19 -0.57 0.00 4.81 -1.89 0.57 114.58 122.88 1oze h GLU 32 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1oze h GLU 32 Cb 1.27 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 1oze h GLU 32 CO 0.83 0.12 0.36 0.35 -0.73 0.00 0.00 179.01 179.94 1oze h PHE 33 N 0.19 0.73 0.00 0.92 3.57 -1.89 -0.82 116.94 119.65 1oze h PHE 33 Ca 0.50 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.92 1oze h PHE 33 Cb 0.97 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1oze h PHE 33 CO -0.30 0.49 -0.41 0.52 -2.23 0.00 0.00 178.31 176.38 1oze h MET 34 N 0.77 0.00 0.25 1.11 2.86 -1.22 -2.02 114.93 116.68 1oze h MET 34 Ca 0.21 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1oze h MET 34 Cb -0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1oze h MET 34 CO -0.04 0.41 -0.12 0.00 1.06 0.00 0.00 176.91 178.21 1oze h ARG 35 N 0.00 -0.32 -0.79 1.72 3.08 0.61 0.26 114.38 118.93 1oze h ARG 35 Ca -0.00 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.15 1oze h ARG 35 Cb 1.08 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 31.14 1oze h ARG 35 CO 0.05 -0.05 0.46 -0.91 -1.07 0.00 0.00 179.97 178.45 1oze h ASN 36 N -0.58 0.68 0.14 7.04 2.35 -1.11 -0.55 115.58 123.56 1oze h ASN 36 Ca -0.03 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1oze h ASN 36 Cb 0.42 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1oze h ASN 36 CO 0.06 0.41 -0.13 0.15 -1.65 0.00 0.00 177.43 176.26 1oze h PHE 37 N 0.80 -0.35 0.00 1.19 3.04 -1.13 0.59 116.94 121.08 1oze h PHE 37 Ca 0.37 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.30 1oze h PHE 37 Cb 0.28 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.92 1oze h PHE 37 CO -0.06 -0.21 -0.09 1.96 -2.02 0.00 0.00 178.31 177.89 1oze h GLN 38 N -0.30 0.00 -0.03 1.11 4.20 -0.32 0.11 115.11 119.88 1oze h GLN 38 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1oze h GLN 38 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1oze h GLN 38 CO -0.03 0.09 0.00 1.63 -0.67 0.00 0.00 178.83 179.85 1oze n LYS 39 N -4.39 1.06 -0.96 1.46 5.02 -0.27 -4.82 118.16 115.27 1oze n LYS 39 Ca -0.03 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1oze n LYS 39 Cb 0.17 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1oze n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oze n GLY 40 N 0.54 0.34 2.72 0.72 0.00 0.39 -4.91 105.19 104.99 1oze n GLY 40 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1oze n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1oze n GLN 41 N -1.43 4.27 -5.19 1.61 6.02 0.20 -4.85 117.38 118.01 1oze n GLN 41 Ca 0.00 -3.75 -0.30 0.00 -0.01 0.00 0.00 57.00 52.95 1oze n GLN 41 Cb 0.17 -2.72 -0.16 0.00 1.02 0.00 0.00 30.24 28.55 1oze n GLN 41 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1oze s VAL 42 N -1.05 1.89 0.35 5.09 0.11 -1.26 -4.06 120.40 121.46 1oze s VAL 42 Ca 0.44 -1.01 0.08 0.00 -2.93 0.00 0.00 61.98 58.55 1oze s VAL 42 Cb 0.13 -1.57 -0.03 0.00 -1.53 0.00 0.00 36.38 33.38 1oze s VAL 42 CO -0.03 0.53 0.30 0.42 -3.33 0.00 0.00 175.10 172.99 1oze s THR 43 N -0.49 3.36 0.16 5.04 -4.23 -1.26 -4.73 115.64 113.50 1oze s THR 43 Ca 0.07 -1.39 -0.13 0.00 -1.18 0.00 0.00 61.69 59.06 1oze s THR 43 Cb -0.10 -3.14 0.04 0.00 1.34 0.00 0.00 72.50 70.64 1oze s THR 43 CO -0.00 -0.15 1.69 0.03 -0.54 0.00 0.00 174.62 175.65 1oze h ARG 44 N 1.23 0.81 -0.76 3.99 3.08 -1.95 0.16 114.38 120.94 1oze h ARG 44 Ca -0.44 -0.16 0.07 0.00 0.07 0.00 0.00 59.98 59.52 1oze h ARG 44 Cb 1.26 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 31.12 1oze h ARG 44 CO 0.59 0.73 0.43 -0.44 -1.07 0.00 0.00 179.97 180.21 1oze h ASP 45 N 0.72 0.64 -0.32 7.04 3.32 -1.99 0.36 116.42 126.19 1oze h ASP 45 Ca 0.17 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.10 1oze h ASP 45 Cb 0.25 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1oze h ASP 45 CO -0.01 0.40 -0.38 1.23 -1.72 0.00 0.00 179.24 178.76 1oze h GLY 46 N 0.77 0.95 1.72 2.75 0.00 -1.84 -2.65 103.07 104.77 1oze h GLY 46 Ca 0.35 -0.96 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 1oze h GLY 46 CO -0.21 0.86 -0.41 -2.75 0.00 0.00 0.00 176.54 174.04 1oze h PHE 47 N 0.71 0.37 -0.66 5.60 3.57 0.11 -2.28 116.94 124.36 1oze h PHE 47 Ca 0.06 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 1oze h PHE 47 Cb 0.96 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 1oze h PHE 47 CO 0.06 0.68 0.19 0.87 -2.23 0.00 0.00 178.31 177.88 1oze h LYS 48 N 0.26 1.04 -0.76 1.11 1.57 -0.20 -1.46 116.57 118.13 1oze h LYS 48 Ca 0.02 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1oze h LYS 48 Cb 0.83 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1oze h LYS 48 CO 0.07 0.91 0.31 -0.07 -0.57 0.00 0.00 179.45 180.10 1oze h LEU 49 N 0.97 1.04 -0.53 2.94 3.38 -1.17 -0.60 115.31 121.34 1oze h LEU 49 Ca 0.21 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1oze h LEU 49 Cb 0.32 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1oze h LEU 49 CO -0.00 0.92 -0.14 -0.37 0.09 0.00 0.00 178.44 178.94 1oze h VAL 50 N 1.09 1.27 -0.72 1.22 -1.51 -1.11 -1.74 116.25 114.75 1oze h VAL 50 Ca 0.25 -1.31 -0.07 0.00 -1.23 0.00 0.00 66.70 64.35 1oze h VAL 50 Cb 0.21 1.01 -0.03 0.00 -2.13 0.00 0.00 31.29 30.35 1oze h VAL 50 CO -0.02 0.46 0.20 0.24 -1.23 0.00 0.00 177.57 177.21 1oze h MET 51 N 0.90 1.14 0.21 5.19 2.86 -1.01 -1.02 114.93 123.20 1oze h MET 51 Ca 0.13 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1oze h MET 51 Cb 0.72 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1oze h MET 51 CO 0.06 0.99 -0.15 0.00 1.06 0.00 0.00 176.91 178.87 1oze h ALA 52 N 1.12 -0.34 -0.60 6.32 0.00 -0.90 -1.56 119.26 123.30 1oze h ALA 52 Ca 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1oze h ALA 52 Cb 0.35 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1oze h ALA 52 CO -0.00 -0.71 0.27 0.66 0.00 0.00 0.00 179.25 179.47 1oze h SER 53 N -0.36 0.77 -0.79 0.00 4.64 -1.12 -1.72 113.55 114.97 1oze h SER 53 Ca -0.01 -0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1oze h SER 53 Cb 0.32 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.17 1oze h SER 53 CO 0.00 0.67 0.53 -0.07 -0.87 0.00 0.00 176.83 177.08 1oze h LEU 54 N 0.85 0.90 0.20 5.97 3.38 -0.82 -0.68 115.31 125.11 1oze h LEU 54 Ca 0.21 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1oze h LEU 54 Cb 0.11 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1oze h LEU 54 CO -0.02 0.65 -0.09 0.22 0.09 0.00 0.00 178.44 179.28 1oze h TYR 55 N 1.06 -0.24 -0.68 1.13 3.20 -0.38 -1.13 116.97 119.93 1oze h TYR 55 Ca 0.29 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1oze h TYR 55 Cb -0.10 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1oze h TYR 55 CO -0.00 -0.08 0.44 0.45 -1.64 0.00 0.00 178.16 177.33 1oze h HIS 56 N -0.36 0.87 0.06 -3.82 3.86 -1.19 -1.55 115.15 113.03 1oze h HIS 56 Ca -0.03 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1oze h HIS 56 Cb 0.28 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 1oze h HIS 56 CO -0.04 0.56 -0.04 0.82 0.86 0.00 0.00 177.93 180.10 1oze h ILE 57 N 0.93 0.91 0.00 2.45 2.04 -0.98 -2.32 117.51 120.55 1oze h ILE 57 Ca 0.25 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.01 1oze h ILE 57 Cb -0.08 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1oze h ILE 57 CO -0.05 0.00 -0.47 1.88 0.00 0.00 0.00 178.15 179.51 1oze h TYR 58 N -0.10 0.00 0.02 1.37 0.05 -1.15 -1.56 116.97 115.60 1oze h TYR 58 Ca -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 1oze h TYR 58 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1oze h TYR 58 CO -0.08 0.47 -0.01 0.28 -1.05 0.00 0.00 178.16 177.76 1oze h VAL 59 N 0.00 1.22 -0.30 -2.88 2.07 -1.21 -0.54 116.25 114.61 1oze h VAL 59 Ca -0.00 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1oze h VAL 59 Cb 1.09 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1oze h VAL 59 CO 0.06 0.19 0.17 0.00 0.02 0.00 0.00 177.57 178.01 1oze h ALA 60 N 0.62 0.39 -0.20 1.67 0.00 -1.37 -1.58 119.26 118.79 1oze h ALA 60 Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1oze h ALA 60 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1oze h ALA 60 CO 0.00 -0.09 0.12 1.25 0.00 0.00 0.00 179.25 180.54 1oze h LEU 61 N 0.38 0.24 -0.94 0.00 5.85 -1.27 -1.93 115.31 117.63 1oze h LEU 61 Ca 0.11 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1oze h LEU 61 Cb 0.05 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1oze h LEU 61 CO -0.02 0.22 -0.16 -0.33 -0.34 0.00 0.00 178.44 177.81 1oze h GLU 62 N 0.24 0.00 -0.33 1.25 5.08 -1.06 -0.24 114.58 119.52 1oze h GLU 62 Ca 0.07 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.29 1oze h GLU 62 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1oze h GLU 62 CO -0.01 0.16 -0.34 1.49 -1.00 0.00 0.00 179.01 179.31 1oze h GLU 63 N 0.00 0.81 -0.02 2.33 4.81 -1.01 -0.82 114.58 120.67 1oze h GLU 63 Ca -0.00 -0.43 -0.21 0.00 -0.13 0.00 0.00 59.36 58.59 1oze h GLU 63 Cb 0.78 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 1oze h GLU 63 CO 0.02 1.06 -0.86 0.93 -0.73 0.00 0.00 179.01 179.44 1oze h GLU 64 N 0.58 0.37 -0.38 1.92 4.39 -0.98 -2.76 114.58 117.71 1oze h GLU 64 Ca 0.05 -0.36 -0.05 0.00 0.34 0.00 0.00 59.36 59.34 1oze h GLU 64 Cb 0.92 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1oze h GLU 64 CO 0.08 1.03 0.03 0.82 -1.16 0.00 0.00 179.01 179.81 1oze h ILE 65 N 0.22 1.25 -0.02 3.13 2.04 -0.98 -1.80 117.51 121.34 1oze h ILE 65 Ca -0.06 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 1oze h ILE 65 Cb 1.47 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1oze h ILE 65 CO 0.14 0.32 -0.04 -0.08 0.00 0.00 0.00 178.15 178.49 1oze h GLU 66 N 0.49 0.03 -0.04 2.37 4.57 -1.14 0.99 114.58 121.85 1oze h GLU 66 Ca 0.11 -0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.12 1oze h GLU 66 Cb 0.43 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1oze h GLU 66 CO 0.01 0.08 -0.72 -0.09 -1.18 0.00 0.00 179.01 177.11 1oze h ARG 67 N 0.03 0.23 -0.26 1.92 2.43 -1.11 -3.30 114.38 114.33 1oze h ARG 67 Ca 0.01 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1oze h ARG 67 Cb 0.09 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1oze h ARG 67 CO 0.01 0.85 0.00 0.09 -1.51 0.00 0.00 179.97 179.41 1oze n ASN 68 N -3.79 3.42 -0.14 -3.80 4.13 -0.73 -4.76 115.26 109.58 1oze n ASN 68 Ca -0.03 -2.67 0.13 0.00 1.68 0.00 0.00 54.58 53.70 1oze n ASN 68 Cb 0.70 -0.42 0.48 0.00 -1.54 0.00 0.00 39.78 39.00 1oze n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1oze h LYS 69 N 1.69 0.45 -0.00 3.52 2.10 -0.91 -1.52 116.57 121.90 1oze h LYS 69 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1oze h LYS 69 Cb 1.16 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 1oze h LYS 69 CO 0.13 0.30 -0.49 0.39 -2.00 0.00 0.00 179.45 177.78 1oze n GLU 70 N -4.48 0.25 -2.01 0.07 1.02 -1.26 -3.40 120.64 110.83 1oze n GLU 70 Ca 0.12 -0.15 -0.38 0.00 -0.02 0.00 0.00 57.16 56.73 1oze n GLU 70 Cb 0.44 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.37 1oze n GLU 70 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1oze s SER 71 N -2.86 5.88 0.02 1.62 0.15 -0.57 -4.76 113.70 113.18 1oze s SER 71 Ca 0.14 2.60 0.18 0.00 0.70 0.00 0.00 55.95 59.57 1oze s SER 71 Cb 0.18 -2.63 0.76 0.00 -1.71 0.00 0.00 66.02 62.62 1oze s SER 71 CO 0.67 -1.14 1.57 -0.81 1.20 0.00 0.00 173.24 174.73 1oze n PRO 72 N -0.48 0.02 -0.00 5.44 -0.04 -1.26 -0.33 135.00 138.35 1oze n PRO 72 Ca 0.07 0.22 0.14 0.00 -0.04 0.00 0.00 63.50 63.89 1oze n PRO 72 Cb 0.45 -1.53 0.52 0.00 -0.04 0.00 0.00 33.50 32.90 1oze n PRO 72 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1oze n VAL 73 N -1.57 0.00 0.00 0.52 0.24 -1.26 -4.52 118.33 111.74 1oze n VAL 73 Ca 0.04 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1oze n VAL 73 Cb 0.21 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 1oze n VAL 73 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1oze n PHE 74 N 0.20 0.00 -0.28 6.34 7.35 -1.02 -4.73 117.46 125.31 1oze n PHE 74 Ca 0.19 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 57.06 1oze n PHE 74 Cb 0.36 0.00 0.34 0.00 0.35 0.00 0.00 39.48 40.53 1oze n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1oze n ALA 75 N -0.87 0.59 0.13 3.13 0.00 0.55 -0.54 120.51 123.51 1oze n ALA 75 Ca 0.00 0.89 0.15 0.00 0.00 0.00 0.00 53.44 54.48 1oze n ALA 75 Cb 0.00 -0.73 0.70 0.00 0.00 0.00 0.00 19.45 19.41 1oze n ALA 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1oze h PRO 76 N 0.00 0.00 -0.42 0.00 0.11 -1.85 -2.01 132.00 127.83 1oze h PRO 76 Ca 0.59 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.55 1oze h PRO 76 Cb 1.36 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.39 1oze h PRO 76 CO -0.74 0.00 0.06 1.33 -0.21 0.00 0.00 178.00 178.44 1oze n VAL 77 N -4.35 2.56 -2.97 3.15 0.24 0.30 -4.79 118.33 112.48 1oze n VAL 77 Ca 0.04 -2.21 -0.43 0.00 -2.04 0.00 0.00 64.34 59.69 1oze n VAL 77 Cb 0.36 -0.31 -0.05 0.00 -1.47 0.00 0.00 33.84 32.37 1oze n VAL 77 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1oze s TYR 78 N -3.07 2.87 -0.51 6.34 5.04 -0.76 -4.93 117.35 122.34 1oze s TYR 78 Ca 0.46 -0.39 0.07 0.00 -2.44 0.00 0.00 57.07 54.76 1oze s TYR 78 Cb 0.39 -3.94 0.24 0.00 0.35 0.00 0.00 41.96 39.00 1oze s TYR 78 CO 0.06 -1.31 0.61 1.19 -1.34 0.00 0.00 175.55 174.76 1oze n PHE 79 N 6.99 1.49 -0.08 4.97 3.72 -1.26 -5.00 117.46 128.29 1oze n PHE 79 Ca -0.03 -3.84 -0.07 0.00 -0.05 0.00 0.00 57.45 53.46 1oze n PHE 79 Cb 0.46 -0.42 -0.01 0.00 -0.94 0.00 0.00 39.48 38.57 1oze n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1oze h PRO 80 N 4.22 -0.03 -0.36 -1.08 0.13 -1.97 -1.88 132.00 131.02 1oze h PRO 80 Ca 0.14 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.19 1oze h PRO 80 Cb 0.78 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 1oze h PRO 80 CO 0.63 -0.02 -0.08 0.93 -0.23 0.00 0.00 178.00 179.23 1oze h GLU 81 N -0.03 0.69 -0.41 0.86 4.39 -1.96 -0.42 114.58 117.71 1oze h GLU 81 Ca 0.15 -0.26 -0.11 0.00 0.34 0.00 0.00 59.36 59.48 1oze h GLU 81 Cb 0.25 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1oze h GLU 81 CO -0.32 0.85 -0.17 0.93 -1.16 0.00 0.00 179.01 179.13 1oze h GLU 82 N 0.49 0.78 0.00 2.33 3.07 -1.81 -3.39 114.58 116.05 1oze h GLU 82 Ca 0.09 -0.29 -0.07 0.00 -0.50 0.00 0.00 59.36 58.60 1oze h GLU 82 Cb 0.59 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1oze h GLU 82 CO 0.03 0.90 -1.57 1.28 -1.40 0.00 0.00 179.01 178.25 1oze n LEU 83 N -4.13 0.00 -4.56 1.33 4.77 -0.72 -4.60 117.00 109.09 1oze n LEU 83 Ca 0.01 0.00 -0.52 0.00 -0.03 0.00 0.00 56.01 55.47 1oze n LEU 83 Cb 0.40 0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1oze n LEU 83 CO 0.44 0.09 0.73 0.00 -1.33 0.00 0.00 177.39 177.32 1oze n HIS 84 N -2.06 1.17 0.08 -1.77 1.44 -0.17 -4.88 115.22 109.03 1oze n HIS 84 Ca -0.07 0.75 0.01 0.00 -2.01 0.00 0.00 57.72 56.40 1oze n HIS 84 Cb 0.48 -2.25 -0.01 0.00 0.12 0.00 0.00 29.99 28.33 1oze n HIS 84 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1oze n ARG 85 N 1.99 5.97 0.11 -1.40 5.12 -1.26 -4.80 116.66 122.41 1oze n ARG 85 Ca 0.18 -0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.97 1oze n ARG 85 Cb 0.19 -0.61 -0.06 0.00 -1.16 0.00 0.00 32.46 30.82 1oze n ARG 85 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1oze h LYS 86 N 0.00 -0.47 -0.93 5.56 3.64 -1.90 -1.08 116.57 121.39 1oze h LYS 86 Ca 0.00 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 1oze h LYS 86 Cb 0.04 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 1oze h LYS 86 CO 0.00 -0.32 0.58 0.00 -2.27 0.00 0.00 179.45 177.45 1oze h ALA 87 N 0.22 1.31 -0.51 5.00 0.00 -2.00 -0.42 119.26 122.86 1oze h ALA 87 Ca 0.03 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1oze h ALA 87 Cb 0.52 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1oze h ALA 87 CO -0.16 0.31 0.30 0.00 0.00 0.00 0.00 179.25 179.70 1oze h ALA 88 N 1.45 0.65 -0.14 0.00 0.00 -1.72 -1.84 119.26 117.66 1oze h ALA 88 Ca 0.42 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.18 1oze h ALA 88 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1oze h ALA 88 CO -0.20 0.01 -0.49 -0.07 0.00 0.00 0.00 179.25 178.51 1oze h LEU 89 N 0.60 0.39 -0.45 0.00 3.38 -0.39 -1.68 115.31 117.17 1oze h LEU 89 Ca 0.20 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1oze h LEU 89 Cb 0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1oze h LEU 89 CO -0.09 0.82 0.30 -0.33 0.09 0.00 0.00 178.44 179.23 1oze h GLU 90 N 0.29 0.60 -0.06 1.13 5.08 -0.72 0.24 114.58 121.14 1oze h GLU 90 Ca 0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1oze h GLU 90 Cb 0.96 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1oze h GLU 90 CO 0.08 0.40 0.03 1.96 -1.00 0.00 0.00 179.01 180.49 1oze h GLN 91 N 0.62 0.08 -0.31 2.33 1.08 -1.15 -2.43 115.11 115.32 1oze h GLN 91 Ca 0.17 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1oze h GLN 91 Cb -0.07 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1oze h GLN 91 CO -0.04 0.12 0.21 -0.44 -0.95 0.00 0.00 178.83 177.73 1oze h ASP 92 N 0.02 0.36 0.17 1.46 3.45 -0.92 -2.81 116.42 118.14 1oze h ASP 92 Ca 0.02 -0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.42 1oze h ASP 92 Cb 0.06 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 1oze h ASP 92 CO -0.00 0.26 -0.21 -0.07 -1.57 0.00 0.00 179.24 177.64 1oze h LEU 93 N 0.42 0.09 -1.39 1.55 3.38 -0.49 -1.09 115.31 117.77 1oze h LEU 93 Ca 0.11 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1oze h LEU 93 Cb -0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1oze h LEU 93 CO -0.02 0.31 -0.05 0.00 0.09 0.00 0.00 178.44 178.76 1oze h ALA 94 N 1.70 1.51 -0.00 1.53 0.00 -1.18 0.12 119.26 122.93 1oze h ALA 94 Ca 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1oze h ALA 94 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1oze h ALA 94 CO 0.03 0.35 -0.08 0.35 0.00 0.00 0.00 179.25 179.90 1oze h PHE 95 N 0.32 0.09 -0.43 0.00 3.57 -1.17 -0.62 116.94 118.71 1oze h PHE 95 Ca 0.07 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.40 1oze h PHE 95 Cb 0.31 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1oze h PHE 95 CO 0.01 0.81 -0.21 -1.49 -2.23 0.00 0.00 178.31 175.19 1oze h TRP 96 N -0.65 0.97 -0.01 0.41 4.06 -1.02 -3.33 115.95 116.39 1oze h TRP 96 Ca -0.01 -0.22 0.00 0.00 2.06 0.00 0.00 58.89 60.72 1oze h TRP 96 Cb 0.83 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.76 1oze h TRP 96 CO 0.18 0.98 -0.04 0.66 -3.56 0.00 0.00 178.44 176.66 1oze n TYR 97 N -4.11 0.00 0.00 0.49 4.01 0.39 -5.07 117.16 112.87 1oze n TYR 97 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1oze n TYR 97 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 1oze n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1oze n GLY 98 N 0.48 -0.57 0.36 2.72 0.00 -0.24 -4.07 105.19 103.87 1oze n GLY 98 Ca 0.03 -1.75 0.18 0.00 0.00 0.00 0.00 46.02 44.48 1oze n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oze h PRO 99 N 0.00 0.00 -0.65 1.61 0.13 -1.91 0.05 132.00 131.23 1oze h PRO 99 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 1oze h PRO 99 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1oze h PRO 99 CO 0.00 0.00 0.18 0.54 -0.23 0.00 0.00 178.00 178.49 1oze n ARG 100 N -3.67 3.82 -0.28 0.86 1.74 -1.26 -4.63 116.66 113.24 1oze n ARG 100 Ca 0.03 -3.10 0.29 0.00 -0.77 0.00 0.00 57.85 54.30 1oze n ARG 100 Cb 0.44 -2.18 0.65 0.00 -1.02 0.00 0.00 32.46 30.35 1oze n ARG 100 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1oze h TRP 101 N 2.79 0.24 0.00 -1.55 5.08 -1.12 0.15 115.95 121.55 1oze h TRP 101 Ca 0.19 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 60.14 1oze h TRP 101 Cb 2.17 -0.07 -0.00 0.00 -3.00 0.00 0.00 29.16 28.26 1oze h TRP 101 CO 1.18 0.03 -0.15 1.96 -1.28 0.00 0.00 178.44 180.17 1oze h GLN 102 N 0.15 0.00 0.00 0.12 1.08 -1.85 -0.41 115.11 114.20 1oze h GLN 102 Ca 0.53 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.58 1oze h GLN 102 Cb 1.82 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.22 1oze h GLN 102 CO -0.11 0.15 -1.45 0.39 -0.95 0.00 0.00 178.83 176.86 1oze n GLU 103 N -3.52 0.62 -0.01 1.46 1.02 0.52 -4.56 120.64 116.17 1oze n GLU 103 Ca -0.01 0.18 0.05 0.00 -0.02 0.00 0.00 57.16 57.35 1oze n GLU 103 Cb 0.30 -1.78 -0.10 0.00 -0.02 0.00 0.00 31.44 29.85 1oze n GLU 103 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1oze n VAL 104 N -2.82 0.10 -1.72 2.62 0.24 -1.08 -5.01 118.33 110.66 1oze n VAL 104 Ca -0.10 -0.31 -0.43 0.00 -2.04 0.00 0.00 64.34 61.46 1oze n VAL 104 Cb 0.81 0.10 -0.02 0.00 -1.47 0.00 0.00 33.84 33.27 1oze n VAL 104 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1oze n ILE 105 N -2.00 1.08 -2.18 1.34 -5.35 -0.18 -4.93 119.36 107.14 1oze n ILE 105 Ca -0.04 -0.27 -0.33 0.00 -0.27 0.00 0.00 62.75 61.83 1oze n ILE 105 Cb 0.39 -1.77 0.00 0.00 -1.74 0.00 0.00 39.64 36.52 1oze n ILE 105 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1oze s PRO 106 N -0.59 3.38 -0.40 6.28 0.04 -1.26 -5.01 135.00 137.45 1oze s PRO 106 Ca 0.65 1.34 0.02 0.00 0.04 0.00 0.00 61.00 63.04 1oze s PRO 106 Cb -0.55 -2.03 0.15 0.00 0.04 0.00 0.00 34.50 32.11 1oze s PRO 106 CO 0.50 -0.77 0.27 -0.47 0.04 0.00 0.00 177.00 176.57 1oze s TYR 107 N -2.20 1.16 0.70 0.56 5.04 -1.26 -4.79 117.35 116.56 1oze s TYR 107 Ca 0.67 -2.07 -0.11 0.00 -2.44 0.00 0.00 57.07 53.12 1oze s TYR 107 Cb -0.18 -1.14 0.01 0.00 0.35 0.00 0.00 41.96 41.01 1oze s TYR 107 CO 0.31 -0.81 1.07 0.95 -1.34 0.00 0.00 175.55 175.73 1oze s THR 108 N 0.49 3.86 0.25 4.34 -4.23 -1.26 -4.86 115.64 114.24 1oze s THR 108 Ca 0.24 0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 61.31 1oze s THR 108 Cb -0.13 -3.45 0.22 0.00 1.34 0.00 0.00 72.50 70.48 1oze s THR 108 CO -0.07 -0.79 1.80 -0.65 -0.54 0.00 0.00 174.62 174.36 1oze h PRO 109 N -0.70 0.72 -0.15 3.99 0.11 -2.00 0.35 132.00 134.31 1oze h PRO 109 Ca -0.45 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1oze h PRO 109 Cb 1.23 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1oze h PRO 109 CO 0.60 0.47 -0.29 0.00 -0.21 0.00 0.00 178.00 178.57 1oze h ALA 110 N 1.48 1.23 -0.25 -0.75 0.00 -1.94 -0.58 119.26 118.46 1oze h ALA 110 Ca 0.41 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1oze h ALA 110 Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1oze h ALA 110 CO -0.28 0.51 -0.06 0.52 0.00 0.00 0.00 179.25 179.94 1oze h MET 111 N 0.25 0.48 -0.67 0.00 2.86 -1.61 -2.83 114.93 113.42 1oze h MET 111 Ca 0.04 -0.18 0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1oze h MET 111 Cb 0.65 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 1oze h MET 111 CO 0.05 0.70 0.44 1.96 1.06 0.00 0.00 176.91 181.12 1oze h GLN 112 N 0.23 0.84 -0.21 1.72 4.20 -0.52 -0.32 115.11 121.04 1oze h GLN 112 Ca 0.06 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 1oze h GLN 112 Cb 0.52 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1oze h GLN 112 CO 0.02 0.55 -0.27 -0.09 -0.67 0.00 0.00 178.83 178.38 1oze h ARG 113 N 0.86 0.40 0.00 1.46 2.43 -0.99 0.19 114.38 118.73 1oze h ARG 113 Ca 0.26 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1oze h ARG 113 Cb -0.03 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1oze h ARG 113 CO -0.06 0.64 -0.00 -0.92 -1.51 0.00 0.00 179.97 178.12 1oze h TYR 114 N 0.35 -0.00 -0.83 2.20 5.03 -1.06 -2.75 116.97 119.92 1oze h TYR 114 Ca 0.05 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.42 1oze h TYR 114 Cb 0.66 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 38.88 1oze h TYR 114 CO 0.02 0.56 0.51 0.28 -1.32 0.00 0.00 178.16 178.21 1oze h VAL 115 N -0.56 1.03 -0.51 1.81 2.07 -0.91 -1.78 116.25 117.40 1oze h VAL 115 Ca -0.00 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1oze h VAL 115 Cb 0.56 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1oze h VAL 115 CO 0.00 0.17 0.10 0.50 0.02 0.00 0.00 177.57 178.36 1oze h LYS 116 N 0.93 0.79 -0.16 1.57 3.64 -0.65 -1.93 116.57 120.78 1oze h LYS 116 Ca 0.36 -0.17 -0.16 0.00 -1.27 0.00 0.00 60.65 59.41 1oze h LYS 116 Cb 0.17 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1oze h LYS 116 CO -0.17 0.74 -0.58 -0.09 -2.27 0.00 0.00 179.45 177.07 1oze h ARG 117 N 0.76 0.50 -0.21 1.90 9.65 -1.10 -1.50 114.38 124.39 1oze h ARG 117 Ca 0.16 -0.33 -0.01 0.00 -1.10 0.00 0.00 59.98 58.70 1oze h ARG 117 Cb 0.32 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 1oze h ARG 117 CO 0.00 0.94 0.09 -0.07 2.80 0.00 0.00 179.97 183.74 1oze h LEU 118 N 0.38 0.28 -1.01 3.80 3.38 -1.00 -0.76 115.31 120.38 1oze h LEU 118 Ca 0.00 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1oze h LEU 118 Cb 1.12 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1oze h LEU 118 CO 0.11 0.35 -0.12 0.45 0.09 0.00 0.00 178.44 179.32 1oze h HIS 119 N 0.19 0.63 -0.03 1.13 3.86 -1.33 -0.76 115.15 118.84 1oze h HIS 119 Ca 0.07 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1oze h HIS 119 Cb 0.15 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 1oze h HIS 119 CO -0.02 0.68 0.02 0.93 0.86 0.00 0.00 177.93 180.40 1oze h GLU 120 N 0.53 0.04 0.04 2.45 5.08 -0.94 -1.02 114.58 120.77 1oze h GLU 120 Ca 0.10 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1oze h GLU 120 Cb 0.52 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1oze h GLU 120 CO 0.03 0.08 -0.02 0.28 -1.00 0.00 0.00 179.01 178.38 1oze h VAL 121 N -0.01 1.07 -0.11 3.13 2.07 -0.97 0.32 116.25 121.75 1oze h VAL 121 Ca 0.01 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.23 1oze h VAL 121 Cb 0.05 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1oze h VAL 121 CO -0.00 0.08 0.09 1.23 0.02 0.00 0.00 177.57 179.00 1oze h GLY 122 N -0.20 0.00 0.00 2.17 0.00 -1.06 0.23 103.07 104.22 1oze h GLY 122 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.10 1oze h GLY 122 CO 0.01 0.00 -2.13 0.54 0.00 0.00 0.00 176.54 174.96 1oze n ARG 123 N -4.26 0.89 -0.00 4.80 1.74 -0.39 -4.33 116.66 115.11 1oze n ARG 123 Ca -0.00 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1oze n ARG 123 Cb 0.21 -1.46 -0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1oze n ARG 123 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1oze n THR 124 N -2.51 0.00 -2.80 0.55 -2.24 0.11 -4.80 114.28 102.59 1oze n THR 124 Ca -0.21 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.27 1oze n THR 124 Cb 0.90 0.69 0.03 0.00 -2.10 0.00 0.00 70.33 69.85 1oze n THR 124 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oze n GLU 125 N -1.31 1.10 -0.00 -0.78 1.02 -0.26 -4.96 120.64 115.45 1oze n GLU 125 Ca -0.00 -3.02 0.23 0.00 -0.02 0.00 0.00 57.16 54.35 1oze n GLU 125 Cb 0.00 -1.19 0.69 0.00 -0.02 0.00 0.00 31.44 30.92 1oze n GLU 125 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1oze h PRO 126 N 2.87 0.00 0.00 3.49 0.13 -0.81 0.30 132.00 137.98 1oze h PRO 126 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1oze h PRO 126 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1oze h PRO 126 CO 0.41 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.33 1oze n GLU 127 N -3.66 0.13 0.00 0.86 0.00 -1.26 -1.35 120.64 115.35 1oze n GLU 127 Ca 0.12 0.54 0.10 0.00 0.00 0.00 0.00 57.16 57.92 1oze n GLU 127 Cb 0.84 -1.85 -0.09 0.00 0.00 0.00 0.00 31.44 30.35 1oze n GLU 127 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1oze n LEU 128 N -2.11 1.22 -0.36 -1.84 4.77 0.11 -4.44 117.00 114.35 1oze n LEU 128 Ca -0.00 -0.55 0.10 0.00 -0.03 0.00 0.00 56.01 55.53 1oze n LEU 128 Cb 0.09 -0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.45 1oze n LEU 128 CO 0.11 0.28 1.22 0.25 -1.33 0.00 0.00 177.39 177.92 1oze h LEU 129 N 0.55 0.86 -1.91 2.23 5.85 -1.31 0.18 115.31 121.76 1oze h LEU 129 Ca 0.00 0.07 0.20 0.00 0.84 0.00 0.00 57.88 58.99 1oze h LEU 129 Cb 0.56 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1oze h LEU 129 CO 0.00 0.39 0.52 1.62 -0.34 0.00 0.00 178.44 180.63 1oze h VAL 130 N 0.89 0.66 -0.60 1.05 3.04 -1.78 0.66 116.25 120.18 1oze h VAL 130 Ca 0.54 -0.03 -0.02 0.00 -1.01 0.00 0.00 66.70 66.17 1oze h VAL 130 Cb 0.68 0.58 -0.03 0.00 -2.01 0.00 0.00 31.29 30.51 1oze h VAL 130 CO -0.32 0.01 0.28 0.00 -1.01 0.00 0.00 177.57 176.53 1oze h ALA 131 N 1.64 0.77 0.01 3.17 0.00 -1.24 -0.92 119.26 122.69 1oze h ALA 131 Ca 0.36 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.89 1oze h ALA 131 Cb 1.30 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1oze h ALA 131 CO -0.03 0.35 -0.97 0.45 0.00 0.00 0.00 179.25 179.05 1oze h HIS 132 N 0.82 0.65 -0.53 0.00 -0.00 -0.99 -2.22 115.15 112.88 1oze h HIS 132 Ca 0.20 -0.36 -0.08 0.00 -0.00 0.00 0.00 60.37 60.14 1oze h HIS 132 Cb 0.14 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.45 1oze h HIS 132 CO 0.00 1.19 0.02 0.00 -0.00 0.00 0.00 177.93 179.14 1oze h ALA 133 N 0.70 1.04 0.23 2.45 0.00 -1.16 -0.41 119.26 122.11 1oze h ALA 133 Ca -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1oze h ALA 133 Cb 1.61 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1oze h ALA 133 CO 0.17 0.60 -0.11 -0.92 0.00 0.00 0.00 179.25 178.99 1oze h TYR 134 N 0.82 -0.29 -0.47 0.00 3.20 -1.17 -0.61 116.97 118.46 1oze h TYR 134 Ca 0.16 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.05 1oze h TYR 134 Cb 0.46 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 1oze h TYR 134 CO 0.03 -0.01 0.26 1.15 -1.64 0.00 0.00 178.16 177.95 1oze h THR 135 N -0.55 1.01 0.23 1.81 2.02 -1.25 -0.57 112.91 115.60 1oze h THR 135 Ca -0.03 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1oze h THR 135 Cb 0.41 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1oze h THR 135 CO 0.05 0.09 -0.11 0.03 0.37 0.00 0.00 175.52 175.96 1oze h ARG 136 N 0.51 -0.30 -0.09 6.66 2.47 -1.09 -3.07 114.38 119.48 1oze h ARG 136 Ca 0.19 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.91 1oze h ARG 136 Cb 0.06 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1oze h ARG 136 CO -0.11 -0.03 -0.05 1.88 0.56 0.00 0.00 179.97 182.21 1oze h TYR 137 N -1.02 0.22 -0.15 3.04 0.05 -1.17 -0.57 116.97 117.38 1oze h TYR 137 Ca -0.03 -0.06 -0.15 0.00 0.05 0.00 0.00 58.73 58.54 1oze h TYR 137 Cb 0.40 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1oze h TYR 137 CO 0.04 0.57 -0.53 1.25 -1.05 0.00 0.00 178.16 178.44 1oze h LEU 138 N -0.19 0.46 0.10 3.88 5.85 -1.20 -1.92 115.31 122.28 1oze h LEU 138 Ca 0.02 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1oze h LEU 138 Cb 0.52 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1oze h LEU 138 CO 0.01 0.91 -0.05 1.23 -0.34 0.00 0.00 178.44 180.21 1oze h GLY 139 N 1.21 -0.14 1.48 3.75 0.00 -1.49 -2.15 103.07 105.73 1oze h GLY 139 Ca 0.01 0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.43 1oze h GLY 139 CO 0.09 -0.05 0.26 0.00 0.00 0.00 0.00 176.54 176.84 1oze h ALA 140 N 0.50 1.93 0.00 3.60 0.00 -1.06 -0.98 119.26 123.25 1oze h ALA 140 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1oze h ALA 140 Cb 0.31 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1oze h ALA 140 CO 0.02 0.01 -0.05 1.25 0.00 0.00 0.00 179.25 180.49 1oze h LEU 141 N 0.34 0.00 0.00 0.00 5.85 -1.18 -2.28 115.31 118.04 1oze h LEU 141 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1oze h LEU 141 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1oze h LEU 141 CO -0.04 0.05 -0.62 -1.20 -0.34 0.00 0.00 178.44 176.29 1oze n SER 142 N -3.12 1.24 -0.99 1.25 7.64 -0.60 -4.59 113.62 114.44 1oze n SER 142 Ca 0.03 0.23 0.06 0.00 1.01 0.00 0.00 58.87 60.20 1oze n SER 142 Cb 0.49 -0.66 0.21 0.00 -1.01 0.00 0.00 64.21 63.24 1oze n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1oze n GLY 143 N 1.49 1.51 0.21 0.23 0.00 -0.47 -4.21 105.19 103.95 1oze n GLY 143 Ca -0.09 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 1oze n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1oze h GLY 144 N 4.83 0.77 0.98 -0.02 0.00 -1.47 -3.06 103.07 105.10 1oze h GLY 144 Ca 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 47.33 46.49 1oze h GLY 144 CO 0.10 0.73 0.19 1.46 0.00 0.00 0.00 176.54 179.02 1oze h GLN 145 N 0.45 0.81 -0.91 4.80 7.50 -1.77 -1.50 115.11 124.49 1oze h GLN 145 Ca 0.04 -0.16 -0.00 0.00 0.50 0.00 0.00 58.65 59.03 1oze h GLN 145 Cb 0.89 -0.12 -0.04 0.00 0.05 0.00 0.00 27.48 28.25 1oze h GLN 145 CO 0.08 0.73 0.57 -0.39 -1.50 0.00 0.00 178.83 178.31 1oze h VAL 146 N 0.73 1.24 -0.03 -0.54 -1.51 -1.82 0.61 116.25 114.93 1oze h VAL 146 Ca 0.17 -0.50 -0.18 0.00 -1.23 0.00 0.00 66.70 64.96 1oze h VAL 146 Cb 0.24 -0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 29.33 1oze h VAL 146 CO -0.01 0.25 -0.78 -0.07 -1.23 0.00 0.00 177.57 175.73 1oze h LEU 147 N 1.24 0.30 -0.30 4.19 3.38 -1.41 -2.12 115.31 120.60 1oze h LEU 147 Ca 0.33 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1oze h LEU 147 Cb -0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1oze h LEU 147 CO -0.06 0.97 -0.25 0.50 0.09 0.00 0.00 178.44 179.68 1oze h LYS 148 N 0.15 0.70 -0.14 1.13 3.64 -0.82 0.17 116.57 121.41 1oze h LYS 148 Ca -0.03 -0.35 0.02 0.00 -1.27 0.00 0.00 60.65 59.02 1oze h LYS 148 Cb 1.37 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 1oze h LYS 148 CO 0.12 0.97 -0.01 -0.22 -2.27 0.00 0.00 179.45 178.04 1oze h LYS 149 N 0.45 0.03 -0.76 1.90 1.63 -0.85 -1.13 116.57 117.84 1oze h LYS 149 Ca 0.05 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1oze h LYS 149 Cb 0.82 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.40 1oze h LYS 149 CO 0.07 0.02 0.36 0.82 -3.45 0.00 0.00 179.45 177.27 1oze h ILE 150 N 0.03 1.24 0.67 2.00 2.04 -1.29 -2.61 117.51 119.60 1oze h ILE 150 Ca 0.06 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 1oze h ILE 150 Cb 0.08 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1oze h ILE 150 CO -0.12 0.29 -0.35 0.00 0.00 0.00 0.00 178.15 177.98 1oze h ALA 151 N 1.18 -1.23 -0.66 1.87 0.00 -0.44 -1.22 119.26 118.76 1oze h ALA 151 Ca 0.26 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1oze h ALA 151 Cb 0.12 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1oze h ALA 151 CO -0.03 -1.17 0.30 -0.56 0.00 0.00 0.00 179.25 177.79 1oze h GLN 152 N -0.93 0.51 0.00 0.00 3.07 -1.27 0.93 115.11 117.42 1oze h GLN 152 Ca -0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.61 1oze h GLN 152 Cb 0.72 -0.12 -0.00 0.00 0.08 0.00 0.00 27.48 28.16 1oze h GLN 152 CO 0.14 0.34 -0.05 0.87 0.09 0.00 0.00 178.83 180.22 1oze h LYS 153 N 0.53 0.00 0.04 0.06 6.56 -1.45 -2.41 116.57 119.90 1oze h LYS 153 Ca 0.33 0.00 -0.38 0.00 -1.06 0.00 0.00 60.65 59.53 1oze h LYS 153 Cb 0.35 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.96 1oze h LYS 153 CO -0.27 0.05 -2.30 0.00 -2.06 0.00 0.00 179.45 174.87 1oze n ALA 154 N -2.18 1.23 0.10 3.86 0.00 0.30 -4.51 120.51 119.31 1oze n ALA 154 Ca -0.02 -0.92 -0.00 0.00 0.00 0.00 0.00 53.44 52.50 1oze n ALA 154 Cb 0.19 -0.30 0.28 0.00 0.00 0.00 0.00 19.45 19.62 1oze n ALA 154 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1oze h LEU 155 N -0.02 0.25 -1.34 0.00 4.07 0.85 -3.48 115.31 115.65 1oze h LEU 155 Ca -0.53 -0.08 -0.36 0.00 0.08 0.00 0.00 57.88 56.98 1oze h LEU 155 Cb 1.93 -0.07 0.15 0.00 1.08 0.00 0.00 40.66 43.75 1oze h LEU 155 CO -0.04 0.55 -0.74 -0.67 -1.08 0.00 0.00 178.44 176.46 1oze n ASP 156 N -4.12 -3.68 -4.70 -0.43 2.03 -0.92 -4.93 116.55 99.80 1oze n ASP 156 Ca -0.01 -0.61 -0.33 0.00 0.52 0.00 0.00 54.79 54.36 1oze n ASP 156 Cb 0.40 -5.00 0.12 0.00 -0.72 0.00 0.00 41.12 35.92 1oze n ASP 156 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1oze s LEU 157 N -6.76 3.16 0.00 -2.67 1.43 -1.26 -5.02 118.68 107.56 1oze s LEU 157 Ca 0.24 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 1oze s LEU 157 Cb -0.11 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.53 1oze s LEU 157 CO 0.74 -2.58 0.00 -0.81 0.23 0.00 0.00 176.35 173.93 1oze n PRO 158 N -3.23 3.06 -2.52 1.29 -0.04 -1.26 -4.95 135.00 127.35 1oze n PRO 158 Ca 0.13 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.44 1oze n PRO 158 Cb 0.51 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.99 1oze n PRO 158 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1oze n SER 159 N 0.00 3.08 -0.04 3.54 7.64 -1.26 -4.83 113.62 121.75 1oze n SER 159 Ca 0.00 -3.03 0.15 0.00 1.01 0.00 0.00 58.87 57.00 1oze n SER 159 Cb 0.00 -0.46 0.85 0.00 -1.01 0.00 0.00 64.21 63.59 1oze n SER 159 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1oze n SER 160 N -0.44 0.14 -1.84 6.43 3.41 -1.26 -4.93 113.62 115.13 1oze n SER 160 Ca 0.24 -0.79 -0.14 0.00 -0.26 0.00 0.00 58.87 57.91 1oze n SER 160 Cb 0.81 -0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.69 1oze n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oze n GLY 161 N 1.10 -0.15 3.68 5.00 0.00 -1.26 -5.01 105.19 108.56 1oze n GLY 161 Ca 0.21 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 1oze n GLY 161 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1oze s GLU 162 N -5.02 1.40 0.00 1.61 -1.05 -1.26 -4.99 118.70 109.39 1oze s GLU 162 Ca 0.11 -0.70 0.00 0.00 -0.15 0.00 0.00 54.97 54.23 1oze s GLU 162 Cb -0.05 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 1oze s GLU 162 CO 0.13 -0.63 0.00 0.41 0.95 0.00 0.00 175.26 176.12 1oze n GLY 163 N -0.42 1.80 0.85 -3.83 0.00 -1.26 -4.96 105.19 97.38 1oze n GLY 163 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.98 1oze n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oze n LEU 164 N 0.00 1.27 0.25 0.99 4.77 -1.26 -4.82 117.00 118.20 1oze n LEU 164 Ca 0.00 -2.27 0.08 0.00 -0.03 0.00 0.00 56.01 53.78 1oze n LEU 164 Cb 0.00 -0.17 0.61 0.00 -2.33 0.00 0.00 43.42 41.53 1oze n LEU 164 CO 0.00 0.65 1.00 0.00 -1.33 0.00 0.00 177.39 177.70 1oze h ALA 165 N 0.60 1.80 -0.90 -1.18 0.00 -1.93 -2.35 119.26 115.29 1oze h ALA 165 Ca -0.09 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 54.92 1oze h ALA 165 Cb 1.46 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.16 1oze h ALA 165 CO 0.04 0.11 0.58 0.35 0.00 0.00 0.00 179.25 180.33 1oze h PHE 166 N 0.00 0.71 -0.02 0.00 3.57 -1.88 -0.94 116.94 118.39 1oze h PHE 166 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1oze h PHE 166 Cb 0.16 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1oze h PHE 166 CO 0.00 0.22 0.00 1.19 -2.23 0.00 0.00 178.31 177.49 1oze n PHE 167 N -4.56 0.02 -4.43 0.41 3.72 -0.88 -4.73 117.46 107.01 1oze n PHE 167 Ca 0.19 -0.01 -0.27 0.00 -0.05 0.00 0.00 57.45 57.30 1oze n PHE 167 Cb 0.58 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.95 1oze n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1oze s THR 168 N -1.98 1.36 -0.70 4.37 2.01 -0.36 -4.83 115.64 115.51 1oze s THR 168 Ca 0.23 -0.57 -0.12 0.00 0.31 0.00 0.00 61.69 61.54 1oze s THR 168 Cb 0.11 -1.26 0.18 0.00 0.01 0.00 0.00 72.50 71.54 1oze s THR 168 CO 0.18 0.41 0.62 -0.36 -0.69 0.00 0.00 174.62 174.78 1oze s PHE 169 N 0.98 3.57 0.48 4.92 0.40 -1.26 -4.94 117.98 122.14 1oze s PHE 169 Ca -0.07 -1.96 0.17 0.00 -0.60 0.00 0.00 56.93 54.46 1oze s PHE 169 Cb -0.15 -3.68 1.18 0.00 0.51 0.00 0.00 43.02 40.88 1oze s PHE 169 CO -0.01 -0.97 2.07 -1.00 0.70 0.00 0.00 175.22 176.01 1oze h PRO 170 N 7.95 0.00 -0.34 0.24 0.13 -1.93 -2.87 132.00 135.18 1oze h PRO 170 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1oze h PRO 170 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1oze h PRO 170 CO 0.81 0.10 0.00 0.09 -0.23 0.00 0.00 178.00 178.77 1oze n ASN 171 N -4.34 1.88 -4.10 1.44 5.03 -1.26 -4.67 115.26 109.24 1oze n ASN 171 Ca -0.03 -1.98 -0.33 0.00 0.87 0.00 0.00 54.58 53.11 1oze n ASN 171 Cb 0.18 -0.23 -0.15 0.00 -1.02 0.00 0.00 39.78 38.56 1oze n ASN 171 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1oze s ILE 172 N -1.54 2.40 0.13 2.41 1.01 -1.08 -4.66 121.20 119.86 1oze s ILE 172 Ca 0.24 -1.53 -0.08 0.00 0.00 0.00 0.00 60.65 59.28 1oze s ILE 172 Cb 0.13 -2.39 -0.15 0.00 0.01 0.00 0.00 42.46 40.06 1oze s ILE 172 CO 0.17 -0.02 1.33 0.00 0.00 0.00 0.00 174.94 176.42 1oze h ALA 173 N 7.84 0.39 -3.31 9.38 0.00 -1.85 -3.43 119.26 128.28 1oze h ALA 173 Ca -0.21 -0.63 -0.52 0.00 0.00 0.00 0.00 54.91 53.55 1oze h ALA 173 Cb 1.05 -0.02 -0.39 0.00 0.00 0.00 0.00 17.79 18.43 1oze h ALA 173 CO 0.49 0.73 -0.77 0.45 0.00 0.00 0.00 179.25 180.15 1oze s SER 174 N -7.09 2.78 0.20 0.00 0.15 -1.26 -5.03 113.70 103.45 1oze s SER 174 Ca -0.08 -0.72 -0.12 0.00 0.70 0.00 0.00 55.95 55.74 1oze s SER 174 Cb 0.09 -0.68 0.12 0.00 -1.71 0.00 0.00 66.02 63.85 1oze s SER 174 CO 0.88 -0.26 1.86 0.00 1.20 0.00 0.00 173.24 176.92 1oze h ALA 175 N 8.21 0.84 -0.62 5.45 0.00 -1.97 -0.55 119.26 130.63 1oze h ALA 175 Ca -0.18 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1oze h ALA 175 Cb 1.12 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1oze h ALA 175 CO 0.34 0.25 0.16 1.79 0.00 0.00 0.00 179.25 181.79 1oze h THR 176 N 0.88 1.25 -0.65 0.00 1.35 -1.95 -0.85 112.91 112.94 1oze h THR 176 Ca 0.24 -0.91 -0.08 0.00 -0.55 0.00 0.00 66.41 65.12 1oze h THR 176 Cb -0.09 0.66 -0.03 0.00 -1.73 0.00 0.00 68.15 66.97 1oze h THR 176 CO -0.06 0.34 0.08 0.11 -0.25 0.00 0.00 175.52 175.74 1oze h LYS 177 N 0.90 1.09 -0.31 4.72 6.56 -1.91 -2.29 116.57 125.33 1oze h LYS 177 Ca 0.19 -0.30 -0.16 0.00 -1.06 0.00 0.00 60.65 59.32 1oze h LYS 177 Cb 0.35 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.88 1oze h LYS 177 CO 0.00 1.01 -0.44 0.35 -2.06 0.00 0.00 179.45 178.32 1oze h PHE 178 N 1.02 0.97 -0.08 -1.35 3.57 -0.86 -2.51 116.94 117.70 1oze h PHE 178 Ca 0.20 -0.30 -0.08 0.00 3.53 0.00 0.00 57.97 61.31 1oze h PHE 178 Cb 0.47 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1oze h PHE 178 CO 0.03 1.09 -0.33 0.87 -2.23 0.00 0.00 178.31 177.74 1oze h LYS 179 N 0.64 0.15 -0.13 1.11 1.57 -1.08 0.11 116.57 118.94 1oze h LYS 179 Ca 0.04 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1oze h LYS 179 Cb 1.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1oze h LYS 179 CO 0.10 0.47 0.04 1.96 -0.57 0.00 0.00 179.45 181.45 1oze h GLN 180 N 0.13 0.21 -0.42 3.15 4.20 -1.27 -1.00 115.11 120.11 1oze h GLN 180 Ca 0.02 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1oze h GLN 180 Cb 0.66 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1oze h GLN 180 CO 0.05 0.35 0.27 1.25 -0.67 0.00 0.00 178.83 180.08 1oze h LEU 181 N 0.03 0.48 -1.24 1.46 5.85 -1.06 -1.34 115.31 119.49 1oze h LEU 181 Ca 0.04 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1oze h LEU 181 Cb 0.23 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1oze h LEU 181 CO -0.00 0.36 -0.12 0.22 -0.34 0.00 0.00 178.44 178.56 1oze h TYR 182 N 0.56 0.39 -0.29 1.25 5.03 -0.65 -1.09 116.97 122.18 1oze h TYR 182 Ca 0.15 -0.05 -0.11 0.00 2.58 0.00 0.00 58.73 61.30 1oze h TYR 182 Cb -0.05 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.11 1oze h TYR 182 CO -0.04 0.49 -0.26 0.00 -1.32 0.00 0.00 178.16 177.03 1oze h ARG 183 N 0.35 0.68 0.00 1.82 3.08 -0.85 -2.02 114.38 117.44 1oze h ARG 183 Ca 0.07 -0.35 0.03 0.00 0.07 0.00 0.00 59.98 59.80 1oze h ARG 183 Cb 0.43 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 1oze h ARG 183 CO 0.02 0.96 -0.19 1.03 -1.07 0.00 0.00 179.97 180.72 1oze h SER 184 N 0.42 -0.56 -0.67 7.04 0.87 -0.71 -0.13 113.55 119.80 1oze h SER 184 Ca 0.05 0.08 0.06 0.00 -1.23 0.00 0.00 61.79 60.75 1oze h SER 184 Cb 0.82 0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.97 1oze h SER 184 CO 0.07 -0.26 0.44 0.03 -0.53 0.00 0.00 176.83 176.58 1oze h ARG 185 N -0.31 0.68 -0.31 2.24 2.47 -1.17 -1.35 114.38 116.63 1oze h ARG 185 Ca 0.06 -0.04 -0.16 0.00 -1.26 0.00 0.00 59.98 58.58 1oze h ARG 185 Cb 0.39 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1oze h ARG 185 CO -0.18 0.45 -0.43 0.52 0.56 0.00 0.00 179.97 180.89 1oze h MET 186 N 0.70 0.78 0.00 0.04 2.86 -0.67 -2.72 114.93 115.93 1oze h MET 186 Ca 0.29 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1oze h MET 186 Cb 0.23 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1oze h MET 186 CO -0.09 1.06 0.00 0.09 1.06 0.00 0.00 176.91 179.03 1oze n ASN 187 N -4.03 0.00 0.00 1.22 3.02 -0.12 -2.49 115.26 112.86 1oze n ASN 187 Ca -0.02 0.05 0.11 0.00 -0.03 0.00 0.00 54.58 54.69 1oze n ASN 187 Cb 0.56 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 39.39 1oze n ASN 187 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1oze n SER 188 N -1.32 0.75 -4.77 6.41 3.41 -0.77 -4.88 113.62 112.46 1oze n SER 188 Ca 0.10 -0.63 -0.41 0.00 -0.26 0.00 0.00 58.87 57.67 1oze n SER 188 Cb 0.19 0.88 -0.01 0.00 -0.26 0.00 0.00 64.21 65.00 1oze n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1oze s LEU 189 N -3.28 4.38 -0.25 1.04 1.43 -1.04 -4.98 118.68 115.98 1oze s LEU 189 Ca 0.07 2.83 -0.10 0.00 -1.03 0.00 0.00 54.13 55.90 1oze s LEU 189 Cb 0.16 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 1oze s LEU 189 CO 0.82 -0.69 0.14 -0.70 0.23 0.00 0.00 176.35 176.16 1oze s GLU 190 N -1.72 3.90 -0.03 1.70 2.56 -1.26 -5.07 118.70 118.77 1oze s GLU 190 Ca 0.52 -0.36 -0.17 0.00 0.00 0.00 0.00 54.97 54.96 1oze s GLU 190 Cb -0.43 -3.50 0.03 0.00 2.00 0.00 0.00 34.13 32.23 1oze s GLU 190 CO 0.56 -0.09 0.37 0.00 -0.56 0.00 0.00 175.26 175.53 1oze s MET 191 N 1.44 0.71 0.59 4.30 0.23 -1.26 -4.99 119.30 120.32 1oze s MET 191 Ca 0.06 -0.07 -0.16 0.00 -1.03 0.00 0.00 55.69 54.49 1oze s MET 191 Cb -0.15 0.32 -0.03 0.00 -1.53 0.00 0.00 34.83 33.44 1oze s MET 191 CO 0.07 -0.19 1.08 0.95 -2.03 0.00 0.00 175.02 174.89 1oze s THR 192 N -1.19 3.60 0.47 3.16 -4.23 -1.26 -4.76 115.64 111.43 1oze s THR 192 Ca -0.12 0.80 0.24 0.00 -1.18 0.00 0.00 61.69 61.43 1oze s THR 192 Cb -0.04 -3.31 0.43 0.00 1.34 0.00 0.00 72.50 70.91 1oze s THR 192 CO 0.05 -0.41 1.86 -0.65 -0.54 0.00 0.00 174.62 174.93 1oze h PRO 193 N 0.53 0.22 -0.66 3.99 0.11 -2.01 0.10 132.00 134.29 1oze h PRO 193 Ca -0.47 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1oze h PRO 193 Cb 1.23 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1oze h PRO 193 CO 0.57 0.15 0.08 0.00 -0.21 0.00 0.00 178.00 178.58 1oze h ALA 194 N 1.59 0.88 -0.14 -0.75 0.00 -2.00 -1.27 119.26 117.57 1oze h ALA 194 Ca 0.46 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1oze h ALA 194 Cb 1.44 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1oze h ALA 194 CO -0.12 0.67 -0.35 0.28 0.00 0.00 0.00 179.25 179.74 1oze h VAL 195 N 1.03 1.36 -0.97 0.00 2.07 -1.23 -2.82 116.25 115.70 1oze h VAL 195 Ca 0.20 -1.62 0.09 0.00 0.82 0.00 0.00 66.70 66.19 1oze h VAL 195 Cb 0.48 2.03 -0.07 0.00 -1.52 0.00 0.00 31.29 32.21 1oze h VAL 195 CO 0.02 0.49 0.62 -0.09 0.02 0.00 0.00 177.57 178.63 1oze h ARG 196 N 0.11 0.99 -0.50 1.57 2.43 -0.93 0.23 114.38 118.28 1oze h ARG 196 Ca -0.00 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1oze h ARG 196 Cb 0.96 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1oze h ARG 196 CO 0.08 0.65 -0.01 1.96 -1.51 0.00 0.00 179.97 181.14 1oze h GLN 197 N 1.02 0.85 -0.29 0.20 4.20 -1.17 -1.41 115.11 118.50 1oze h GLN 197 Ca 0.45 -0.24 -0.18 0.00 0.06 0.00 0.00 58.65 58.74 1oze h GLN 197 Cb 0.36 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1oze h GLN 197 CO -0.20 0.85 -0.53 0.00 -0.67 0.00 0.00 178.83 178.28 1oze h ARG 198 N 0.79 0.87 -0.92 1.46 3.08 -0.77 -0.49 114.38 118.40 1oze h ARG 198 Ca 0.15 -0.55 0.05 0.00 0.07 0.00 0.00 59.98 59.70 1oze h ARG 198 Cb 0.48 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.54 1oze h ARG 198 CO 0.02 1.19 0.59 0.28 -1.07 0.00 0.00 179.97 180.98 1oze h VAL 199 N 0.66 1.12 -0.62 2.04 2.07 -0.40 0.53 116.25 121.64 1oze h VAL 199 Ca 0.02 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1oze h VAL 199 Cb 1.14 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1oze h VAL 199 CO 0.12 0.20 0.21 0.40 0.02 0.00 0.00 177.57 178.52 1oze h ILE 200 N 1.12 1.24 -0.46 4.57 1.08 -1.01 -2.17 117.51 121.88 1oze h ILE 200 Ca 0.38 -0.80 -0.13 0.00 -0.39 0.00 0.00 64.86 63.91 1oze h ILE 200 Cb 0.07 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 1oze h ILE 200 CO -0.14 0.31 -0.24 -0.33 -0.69 0.00 0.00 178.15 177.05 1oze h GLU 201 N 0.88 0.96 -0.66 2.37 4.39 0.36 -2.94 114.58 119.94 1oze h GLU 201 Ca 0.20 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1oze h GLU 201 Cb 0.26 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1oze h GLU 201 CO -0.01 1.09 0.41 1.49 -1.16 0.00 0.00 179.01 180.83 1oze h GLU 202 N 0.82 0.89 -0.51 2.33 4.57 0.19 -1.02 114.58 121.84 1oze h GLU 202 Ca 0.10 -0.07 0.07 0.00 -1.18 0.00 0.00 59.36 58.28 1oze h GLU 202 Cb 0.82 -0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 29.16 1oze h GLU 202 CO 0.07 0.62 0.20 0.00 -1.18 0.00 0.00 179.01 178.71 1oze h ALA 203 N 1.22 0.64 -0.50 2.92 0.00 -1.28 0.19 119.26 122.45 1oze h ALA 203 Ca 0.24 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1oze h ALA 203 Cb -0.05 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1oze h ALA 203 CO -0.05 -0.19 0.07 0.87 0.00 0.00 0.00 179.25 179.95 1oze h LYS 204 N 0.38 0.78 -0.44 0.00 1.57 -1.27 -2.10 116.57 115.50 1oze h LYS 204 Ca 0.25 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1oze h LYS 204 Cb 0.25 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1oze h LYS 204 CO -0.24 0.74 -0.01 1.15 -0.57 0.00 0.00 179.45 180.53 1oze h THR 205 N 0.75 1.23 -0.32 -0.16 2.02 0.21 -1.82 112.91 114.82 1oze h THR 205 Ca 0.16 -0.96 0.03 0.00 0.77 0.00 0.00 66.41 66.41 1oze h THR 205 Cb 0.35 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1oze h THR 205 CO 0.01 0.34 0.13 0.00 0.37 0.00 0.00 175.52 176.36 1oze h ALA 206 N 1.32 0.37 -0.53 6.16 0.00 -0.01 0.01 119.26 126.57 1oze h ALA 206 Ca 0.13 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1oze h ALA 206 Cb 0.43 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1oze h ALA 206 CO 0.02 -0.26 0.30 0.74 0.00 0.00 0.00 179.25 180.05 1oze h PHE 207 N 0.28 0.56 -0.87 0.00 -1.00 -1.14 -2.06 116.94 112.72 1oze h PHE 207 Ca 0.14 0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.97 1oze h PHE 207 Cb 0.09 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 39.42 1oze h PHE 207 CO -0.12 0.30 0.57 -0.07 -1.61 0.00 0.00 178.31 177.38 1oze h LEU 208 N 0.59 0.94 -1.25 1.54 3.38 -0.50 0.04 115.31 120.05 1oze h LEU 208 Ca 0.22 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1oze h LEU 208 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1oze h LEU 208 CO -0.12 0.65 -0.22 -0.07 0.09 0.00 0.00 178.44 178.77 1oze h LEU 209 N 1.10 0.23 -0.13 1.67 3.38 -0.42 -0.98 115.31 120.15 1oze h LEU 209 Ca 0.34 -0.06 -0.22 0.00 0.09 0.00 0.00 57.88 58.03 1oze h LEU 209 Cb -0.00 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1oze h LEU 209 CO -0.10 0.47 -0.76 0.78 0.09 0.00 0.00 178.44 178.92 1oze h ASN 210 N 0.22 0.90 -0.31 -0.43 2.35 -0.61 -2.42 115.58 115.28 1oze h ASN 210 Ca 0.04 -0.64 -0.02 0.00 -0.55 0.00 0.00 56.30 55.12 1oze h ASN 210 Cb 0.52 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1oze h ASN 210 CO 0.04 1.39 0.10 0.40 -1.65 0.00 0.00 177.43 177.71 1oze h ILE 211 N 0.46 1.20 0.00 2.81 2.04 -0.57 0.13 117.51 123.57 1oze h ILE 211 Ca -0.06 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 1oze h ILE 211 Cb 1.39 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1oze h ILE 211 CO 0.16 0.21 -0.19 0.06 0.00 0.00 0.00 178.15 178.39 1oze h GLN 212 N 0.34 0.00 -0.09 2.37 3.07 -1.25 -0.54 115.11 119.01 1oze h GLN 212 Ca 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.79 1oze h GLN 212 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.78 1oze h GLN 212 CO -0.00 0.19 -0.13 1.25 0.09 0.00 0.00 178.83 180.23 1oze h LEU 213 N 0.00 0.27 -1.15 0.06 5.85 -0.85 -1.82 115.31 117.67 1oze h LEU 213 Ca -0.00 -0.52 0.05 0.00 0.84 0.00 0.00 57.88 58.24 1oze h LEU 213 Cb 0.51 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1oze h LEU 213 CO 0.02 0.74 0.58 -0.26 -0.34 0.00 0.00 178.44 179.19 1oze h PHE 214 N -0.19 1.06 -0.64 1.25 0.04 -0.31 0.68 116.94 118.83 1oze h PHE 214 Ca 0.01 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.72 1oze h PHE 214 Cb 0.68 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1oze h PHE 214 CO 0.10 0.59 0.04 0.93 -0.60 0.00 0.00 178.31 179.37 1oze h GLU 215 N 1.07 1.09 -0.20 1.51 5.08 -1.01 -1.54 114.58 120.59 1oze h GLU 215 Ca 0.37 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1oze h GLU 215 Cb 0.10 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1oze h GLU 215 CO -0.12 1.04 -0.06 1.49 -1.00 0.00 0.00 179.01 180.36 1oze h GLU 216 N 1.00 0.39 -0.88 2.33 4.81 -0.41 -2.41 114.58 119.42 1oze h GLU 216 Ca 0.19 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1oze h GLU 216 Cb 0.52 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 1oze h GLU 216 CO 0.02 0.65 0.53 -0.07 -0.73 0.00 0.00 179.01 179.41 1oze h LEU 217 N 0.10 1.05 -0.70 1.64 3.38 -0.81 -1.10 115.31 118.86 1oze h LEU 217 Ca 0.05 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1oze h LEU 217 Cb 0.51 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1oze h LEU 217 CO 0.02 0.80 0.33 -0.61 0.09 0.00 0.00 178.44 179.07 1oze h GLN 218 N 1.21 1.02 -0.26 1.13 5.75 -1.22 -2.33 115.11 120.40 1oze h GLN 218 Ca 0.31 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.64 1oze h GLN 218 Cb -0.05 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.30 1oze h GLN 218 CO -0.06 0.81 0.08 1.49 -2.65 0.00 0.00 178.83 178.50 1oze h GLU 219 N 0.99 0.41 -0.00 1.69 4.22 -0.84 -2.60 114.58 118.44 1oze h GLU 219 Ca 0.24 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.59 1oze h GLU 219 Cb 0.13 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1oze h GLU 219 CO -0.03 0.48 0.00 -0.07 -2.18 0.00 0.00 179.01 177.21 1oze h LEU 220 N 0.26 0.00 0.00 1.64 3.38 -1.02 -2.63 115.31 116.93 1oze h LEU 220 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1oze h LEU 220 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1oze h LEU 220 CO -0.00 0.00 -0.60 -0.07 0.09 0.00 0.00 178.44 177.86 1oze h LEU 221 N 0.00 0.00 -6.65 1.67 3.38 -1.23 -3.40 115.31 109.08 1oze h LEU 221 Ca 0.00 -0.18 -0.81 0.00 0.09 0.00 0.00 57.88 56.98 1oze h LEU 221 Cb 0.01 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.48 1oze h LEU 221 CO -0.00 0.09 0.88 0.35 0.09 0.00 0.00 178.44 179.85 1oze n THR 222 N -2.18 5.65 -0.80 0.22 -2.24 -0.99 -5.10 114.28 108.83 1oze n THR 222 Ca 0.03 -5.96 0.00 0.00 -2.27 0.00 0.00 64.05 55.85 1oze n THR 222 Cb 0.45 -1.87 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 1oze n THR 222 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91