#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihu h ALA 16 N 0.00 1.76 -0.44 7.33 0.00 -2.00 -0.78 119.26 125.13 3ihu h ALA 16 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3ihu h ALA 16 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3ihu h ALA 16 CO 0.00 -0.32 0.16 1.03 0.00 0.00 0.00 179.25 180.12 3ihu h SER 17 N 0.52 0.62 -0.80 0.00 0.87 -1.97 -2.69 113.55 110.10 3ihu h SER 17 Ca 0.64 -0.19 0.12 0.00 -1.23 0.00 0.00 61.79 61.14 3ihu h SER 17 Cb 1.26 -0.16 -0.08 0.00 -0.44 0.00 0.00 62.40 62.97 3ihu h SER 17 CO -0.50 0.64 0.41 0.44 -0.53 0.00 0.00 176.83 177.28 3ihu h ASP 18 N 0.56 0.51 0.14 6.23 3.32 -1.55 -0.73 116.42 124.90 3ihu h ASP 18 Ca 0.14 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.28 3ihu h ASP 18 Cb 0.23 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3ihu h ASP 18 CO -0.01 0.25 -0.26 0.74 -1.72 0.00 0.00 179.24 178.24 3ihu h THR 19 N 0.63 0.42 -0.11 0.35 2.02 -0.90 0.31 112.91 115.64 3ihu h THR 19 Ca 0.41 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.59 3ihu h THR 19 Cb 0.52 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3ihu h THR 19 CO -0.32 0.00 0.05 0.58 0.37 0.00 0.00 175.52 176.21 3ihu h VAL 20 N -0.49 1.11 0.40 3.16 2.07 -1.43 0.52 116.25 121.59 3ihu h VAL 20 Ca 0.02 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3ihu h VAL 20 Cb 0.50 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3ihu h VAL 20 CO -0.14 0.10 -0.38 0.15 0.02 0.00 0.00 177.57 177.32 3ihu h PHE 21 N 0.06 -1.03 -0.11 1.57 3.57 -0.68 -0.88 116.94 119.43 3ihu h PHE 21 Ca 0.04 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.40 3ihu h PHE 21 Cb 0.11 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3ihu h PHE 21 CO -0.03 -0.53 -0.57 0.74 -2.23 0.00 0.00 178.31 175.68 3ihu h PHE 22 N -0.80 0.45 -0.90 0.41 0.04 -0.41 -3.04 116.94 112.69 3ihu h PHE 22 Ca -0.03 -0.16 0.06 0.00 2.80 0.00 0.00 57.97 60.64 3ihu h PHE 22 Cb 0.71 -0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.71 3ihu h PHE 22 CO -0.20 0.84 0.57 0.78 -0.60 0.00 0.00 178.31 179.69 3ihu h GLY 23 N 1.30 1.37 -1.53 -1.45 0.00 0.23 0.17 103.07 103.15 3ihu h GLY 23 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3ihu h GLY 23 CO 0.09 0.28 0.00 1.39 0.00 0.00 0.00 176.54 178.31 3ihu n ILE 24 N -4.59 0.33 0.00 2.60 5.41 -0.35 -1.39 119.36 121.37 3ihu n ILE 24 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.88 3ihu n ILE 24 Cb 0.18 -0.57 0.00 0.00 -0.71 0.00 0.00 39.64 38.54 3ihu n ILE 24 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3ihu n SER 26 N 0.46 0.00 -0.27 4.38 2.88 0.61 -1.53 113.62 120.15 3ihu n SER 26 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 3ihu n SER 26 Cb 0.24 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.00 3ihu n SER 26 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3ihu h GLY 27 N 0.00 1.23 1.01 0.46 0.00 -1.46 0.35 103.07 104.66 3ihu h GLY 27 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3ihu h GLY 27 CO 0.00 0.21 0.56 1.41 0.00 0.00 0.00 176.54 178.71 3ihu h LEU 28 N 0.86 1.02 -0.13 3.11 3.38 -1.40 0.16 115.31 122.31 3ihu h LEU 28 Ca 0.40 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 3ihu h LEU 28 Cb 0.40 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3ihu h LEU 28 CO -0.16 0.76 -0.02 -0.33 0.09 0.00 0.00 178.44 178.78 3ihu h GLU 29 N 1.19 0.25 0.00 1.13 5.08 -1.63 -3.16 114.58 117.44 3ihu h GLU 29 Ca 0.32 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3ihu h GLU 29 Cb -0.10 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3ihu h GLU 29 CO -0.06 0.52 0.00 1.28 -1.00 0.00 0.00 179.01 179.75 3ihu n LEU 30 N -4.74 0.27 0.00 1.33 4.77 0.03 -4.91 117.00 113.76 3ihu n LEU 30 Ca -0.06 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3ihu n LEU 30 Cb 0.24 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3ihu n LEU 30 CO 0.36 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 3ihu n GLY 31 N 0.50 0.68 0.11 -0.72 0.00 0.46 -4.94 105.19 101.29 3ihu n GLY 31 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 3ihu n GLY 31 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ihu h THR 32 N 0.00 0.00 -4.11 2.61 1.35 -1.55 -3.44 112.91 107.77 3ihu h THR 32 Ca 0.00 -0.92 -0.69 0.00 -0.55 0.00 0.00 66.41 64.25 3ihu h THR 32 Cb 0.00 1.45 -0.24 0.00 -1.73 0.00 0.00 68.15 67.63 3ihu h THR 32 CO 0.00 0.00 -0.83 -0.36 -0.25 0.00 0.00 175.52 174.08 3ihu s PHE 33 N -3.33 2.47 0.04 4.73 0.40 -0.95 -4.96 117.98 116.38 3ihu s PHE 33 Ca 0.01 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 3ihu s PHE 33 Cb 0.10 -1.44 -0.02 0.00 0.51 0.00 0.00 43.02 42.16 3ihu s PHE 33 CO 0.77 0.20 -0.08 0.08 0.70 0.00 0.00 175.22 176.89 3ihu s VAL 34 N -0.87 0.56 0.32 -0.44 1.01 -1.26 -3.93 120.40 115.80 3ihu s VAL 34 Ca 0.13 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 3ihu s VAL 34 Cb -0.10 -0.60 -0.11 0.00 0.00 0.00 0.00 36.38 35.56 3ihu s VAL 34 CO 0.04 -0.29 1.58 -2.65 0.00 0.00 0.00 175.10 173.77 3ihu n PRO 35 N 1.68 2.74 0.00 2.72 -0.02 -1.26 -1.72 135.00 139.14 3ihu n PRO 35 Ca -0.21 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3ihu n PRO 35 Cb 0.55 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3ihu n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ihu n GLY 36 N 1.65 1.81 3.73 -1.23 0.00 0.37 -4.85 105.19 106.67 3ihu n GLY 36 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3ihu n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ihu s GLN 37 N -0.41 4.42 -0.06 1.61 0.74 -0.70 -4.68 119.66 120.57 3ihu s GLN 37 Ca 0.00 1.96 -0.24 0.00 0.05 0.00 0.00 55.36 57.12 3ihu s GLN 37 Cb 0.00 -3.24 -0.03 0.00 1.10 0.00 0.00 33.01 30.84 3ihu s GLN 37 CO 0.00 -0.23 0.75 0.50 -0.55 0.00 0.00 175.29 175.76 3ihu s ARG 38 N 0.22 4.45 -0.14 1.67 3.52 -1.26 -0.94 118.95 126.46 3ihu s ARG 38 Ca 0.57 0.97 -0.06 0.00 -0.13 0.00 0.00 55.73 57.07 3ihu s ARG 38 Cb -0.34 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 3ihu s ARG 38 CO 0.35 0.03 0.07 -0.51 -0.81 0.00 0.00 175.30 174.43 3ihu s LEU 39 N 0.91 3.95 -0.21 -0.88 1.43 0.67 -4.99 118.68 119.57 3ihu s LEU 39 Ca 0.40 0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 53.67 3ihu s LEU 39 Cb -0.18 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 3ihu s LEU 39 CO 0.19 0.29 -0.02 -0.69 0.23 0.00 0.00 176.35 176.35 3ihu s VAL 40 N -0.32 3.73 0.21 -1.59 1.01 -1.26 -2.93 120.40 119.25 3ihu s VAL 40 Ca 0.09 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 3ihu s VAL 40 Cb -0.12 -2.69 0.14 0.00 0.00 0.00 0.00 36.38 33.71 3ihu s VAL 40 CO 0.02 0.43 1.79 -0.33 0.00 0.00 0.00 175.10 177.00 3ihu h GLU 41 N 7.68 0.57 0.00 2.72 5.08 -1.96 0.26 114.58 128.94 3ihu h GLU 41 Ca -0.37 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.92 3ihu h GLU 41 Cb 1.17 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3ihu h GLU 41 CO 0.60 0.38 -0.19 1.79 -1.00 0.00 0.00 179.01 180.59 3ihu h THR 42 N 0.59 1.06 -0.25 1.13 1.35 -1.99 -0.26 112.91 114.53 3ihu h THR 42 Ca 0.29 -0.66 -0.20 0.00 -0.55 0.00 0.00 66.41 65.30 3ihu h THR 42 Cb 0.24 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 3ihu h THR 42 CO -0.21 0.18 -0.62 0.44 -0.25 0.00 0.00 175.52 175.06 3ihu h ASP 43 N 0.00 0.98 -0.25 5.36 3.32 -1.41 -2.35 116.42 122.06 3ihu h ASP 43 Ca -0.00 -0.56 -0.07 0.00 0.02 0.00 0.00 57.03 56.41 3ihu h ASP 43 Cb 0.35 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3ihu h ASP 43 CO 0.02 1.36 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.76 3ihu h LEU 44 N 0.64 0.61 0.25 1.55 3.38 -0.70 -0.15 115.31 120.88 3ihu h LEU 44 Ca -0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3ihu h LEU 44 Cb 1.23 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3ihu h LEU 44 CO 0.13 0.73 -0.12 0.58 0.09 0.00 0.00 178.44 179.85 3ihu h VAL 45 N 0.58 0.78 -0.16 1.22 2.07 -1.01 -1.28 116.25 118.44 3ihu h VAL 45 Ca 0.11 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3ihu h VAL 45 Cb 0.48 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3ihu h VAL 45 CO 0.03 0.04 0.11 0.00 0.02 0.00 0.00 177.57 177.76 3ihu h ALA 46 N 0.31 0.21 -0.23 1.67 0.00 -1.25 0.68 119.26 120.64 3ihu h ALA 46 Ca -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3ihu h ALA 46 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ihu h ALA 46 CO 0.06 -0.31 -0.03 1.25 0.00 0.00 0.00 179.25 180.22 3ihu h HIS 47 N 0.22 0.46 -0.01 0.00 6.17 -0.96 -3.01 115.15 118.02 3ihu h HIS 47 Ca 0.06 -0.09 0.00 0.00 0.71 0.00 0.00 60.37 61.05 3ihu h HIS 47 Cb -0.02 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 29.79 3ihu h HIS 47 CO -0.07 0.63 -0.26 1.19 0.71 0.00 0.00 177.93 180.13 3ihu n PHE 48 N -4.62 0.00 -2.86 5.26 3.72 -0.49 -4.97 117.46 113.50 3ihu n PHE 48 Ca -0.04 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.17 3ihu n PHE 48 Cb 0.27 -0.12 0.03 0.00 -0.94 0.00 0.00 39.48 38.72 3ihu n PHE 48 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ihu n GLY 49 N 1.34 -0.34 3.70 1.37 0.00 0.22 -4.99 105.19 106.50 3ihu n GLY 49 Ca 0.12 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3ihu n GLY 49 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ihu s VAL 50 N -3.07 1.18 0.55 1.61 -7.23 -1.16 -5.06 120.40 107.21 3ihu s VAL 50 Ca 0.24 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.28 3ihu s VAL 50 Cb -0.11 -2.31 -0.06 0.00 0.56 0.00 0.00 36.38 34.47 3ihu s VAL 50 CO 0.30 0.00 0.98 -0.83 -0.31 0.00 0.00 175.10 175.23 3ihu s GLY 51 N -3.81 1.87 0.19 2.32 0.00 -1.26 -4.63 107.32 102.00 3ihu s GLY 51 Ca 0.13 0.01 -0.16 0.00 0.00 0.00 0.00 44.72 44.70 3ihu s GLY 51 CO 0.07 0.27 1.63 3.21 0.00 0.00 0.00 173.10 178.28 3ihu h ARG 52 N 0.42 -0.03 -0.96 2.90 -0.00 -1.96 -0.87 114.38 113.87 3ihu h ARG 52 Ca -0.46 0.00 0.07 0.00 -0.50 0.00 0.00 59.98 59.09 3ihu h ARG 52 Cb 1.19 0.01 -0.06 0.00 0.00 0.00 0.00 29.97 31.10 3ihu h ARG 52 CO 0.62 -0.02 0.62 -0.97 0.00 0.00 0.00 179.97 180.22 3ihu h ASN 53 N -0.04 0.98 -0.39 7.04 -1.24 -1.99 -1.01 115.58 118.94 3ihu h ASN 53 Ca 0.26 0.01 -0.09 0.00 0.71 0.00 0.00 56.30 57.19 3ihu h ASN 53 Cb 0.43 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 3ihu h ASN 53 CO -0.57 0.63 -0.11 0.28 -1.29 0.00 0.00 177.43 176.37 3ihu h SER 54 N 1.12 0.77 -0.01 1.15 0.02 -1.61 -1.07 113.55 113.91 3ihu h SER 54 Ca 0.42 -0.37 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3ihu h SER 54 Cb 0.18 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3ihu h SER 54 CO -0.16 0.96 -0.08 0.58 -1.14 0.00 0.00 176.83 176.99 3ihu h VAL 55 N 0.57 0.80 -0.55 2.27 2.07 -0.75 -1.12 116.25 119.54 3ihu h VAL 55 Ca 0.10 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.69 3ihu h VAL 55 Cb 0.63 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 3ihu h VAL 55 CO 0.04 0.00 0.21 0.03 0.02 0.00 0.00 177.57 177.87 3ihu h ARG 56 N -0.13 0.39 -0.51 1.57 3.08 -1.06 -0.16 114.38 117.56 3ihu h ARG 56 Ca 0.04 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3ihu h ARG 56 Cb 0.18 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3ihu h ARG 56 CO -0.09 0.25 0.34 0.93 -1.07 0.00 0.00 179.97 180.33 3ihu h GLU 57 N 0.40 0.67 -0.66 0.04 5.08 -1.02 -1.42 114.58 117.66 3ihu h GLU 57 Ca 0.27 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.61 3ihu h GLU 57 Cb 0.30 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 3ihu h GLU 57 CO -0.26 0.44 0.42 0.00 -1.00 0.00 0.00 179.01 178.61 3ihu h ALA 58 N 1.19 0.86 -0.76 3.43 0.00 -0.44 -1.35 119.26 122.20 3ihu h ALA 58 Ca 0.19 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3ihu h ALA 58 Cb -0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3ihu h ALA 58 CO -0.04 0.20 0.28 -0.07 0.00 0.00 0.00 179.25 179.61 3ihu h LEU 59 N 0.83 1.05 -0.71 0.00 3.38 -0.74 0.39 115.31 119.53 3ihu h LEU 59 Ca 0.26 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3ihu h LEU 59 Cb -0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3ihu h LEU 59 CO -0.09 0.95 0.34 1.56 0.09 0.00 0.00 178.44 181.29 3ihu h GLN 60 N 1.11 1.01 -0.06 1.13 4.20 -0.94 0.19 115.11 121.75 3ihu h GLN 60 Ca 0.25 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 3ihu h GLN 60 Cb 0.24 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3ihu h GLN 60 CO -0.02 0.79 0.02 0.00 -0.67 0.00 0.00 178.83 178.96 3ihu h ARG 61 N 0.98 0.09 -0.81 1.46 3.08 -0.96 -0.70 114.38 117.53 3ihu h ARG 61 Ca 0.24 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.39 3ihu h ARG 61 Cb 0.11 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.07 3ihu h ARG 61 CO -0.03 0.23 0.43 -0.07 -1.07 0.00 0.00 179.97 179.47 3ihu h LEU 62 N -0.08 0.58 -0.33 3.04 3.38 -0.72 -2.48 115.31 118.70 3ihu h LEU 62 Ca 0.02 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3ihu h LEU 62 Cb 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3ihu h LEU 62 CO -0.00 0.31 0.14 0.00 0.09 0.00 0.00 178.44 178.98 3ihu h ALA 63 N 1.48 0.42 -0.18 1.53 0.00 -0.26 -2.28 119.26 119.98 3ihu h ALA 63 Ca 0.41 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.25 3ihu h ALA 63 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ihu h ALA 63 CO -0.29 0.01 0.16 0.00 0.00 0.00 0.00 179.25 179.13 3ihu h ALA 64 N 0.99 1.93 -0.43 0.00 0.00 -0.70 0.11 119.26 121.17 3ihu h ALA 64 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ihu h ALA 64 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ihu h ALA 64 CO -0.01 -0.25 0.00 0.39 0.00 0.00 0.00 179.25 179.38 3ihu n GLU 65 N -4.08 2.12 -3.22 0.00 -0.58 -0.95 -4.96 120.64 108.97 3ihu n GLU 65 Ca 0.01 -1.73 -0.22 0.00 -0.42 0.00 0.00 57.16 54.80 3ihu n GLU 65 Cb 0.29 -1.40 0.05 0.00 -0.57 0.00 0.00 31.44 29.80 3ihu n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ihu n GLY 66 N 1.29 -0.45 0.12 0.62 0.00 0.03 -4.94 105.19 101.86 3ihu n GLY 66 Ca 0.17 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 46.17 3ihu n GLY 66 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ihu n ILE 67 N -4.64 1.45 -4.33 -0.61 2.08 -0.90 -4.88 119.36 107.54 3ihu n ILE 67 Ca -0.05 -0.69 -0.17 0.00 0.56 0.00 0.00 62.75 62.39 3ihu n ILE 67 Cb 0.59 -1.02 -0.10 0.00 -0.75 0.00 0.00 39.64 38.36 3ihu n ILE 67 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 3ihu s VAL 68 N -2.51 1.30 -0.12 1.39 -7.23 -1.24 -0.79 120.40 111.19 3ihu s VAL 68 Ca -0.24 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 57.85 3ihu s VAL 68 Cb 0.08 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.81 3ihu s VAL 68 CO 0.70 -0.46 -0.16 -1.81 -0.31 0.00 0.00 175.10 173.05 3ihu s ASP 69 N -3.30 3.71 0.45 4.85 1.01 -0.13 -4.26 116.67 118.99 3ihu s ASP 69 Ca 0.25 -0.41 -0.21 0.00 0.71 0.00 0.00 52.55 52.88 3ihu s ASP 69 Cb 0.04 -1.55 -0.09 0.00 1.01 0.00 0.00 42.92 42.32 3ihu s ASP 69 CO 0.07 0.15 1.02 -0.76 0.21 0.00 0.00 175.17 175.86 3ihu s LEU 70 N 0.41 3.94 0.37 1.23 1.43 -1.26 -1.50 118.68 123.30 3ihu s LEU 70 Ca -0.12 1.89 0.07 0.00 -1.03 0.00 0.00 54.13 54.93 3ihu s LEU 70 Cb -0.16 -4.47 -0.00 0.00 0.03 0.00 0.00 46.19 41.58 3ihu s LEU 70 CO 0.06 -0.60 0.51 -1.10 0.23 0.00 0.00 176.35 175.44 3ihu s GLN 71 N -3.05 3.00 0.18 1.70 1.11 -0.67 -4.92 119.66 117.01 3ihu s GLN 71 Ca 0.64 -1.10 -0.32 0.00 0.01 0.00 0.00 55.36 54.59 3ihu s GLN 71 Cb -0.16 -2.80 -0.11 0.00 -1.01 0.00 0.00 33.01 28.94 3ihu s GLN 71 CO 0.20 -0.07 1.61 -0.98 0.01 0.00 0.00 175.29 176.05 3ihu s ARG 72 N -4.25 4.19 0.00 2.91 3.03 -1.26 -3.82 118.95 119.76 3ihu s ARG 72 Ca 0.49 2.43 0.00 0.00 2.03 0.00 0.00 55.73 60.68 3ihu s ARG 72 Cb -0.10 -3.13 0.00 0.00 -1.03 0.00 0.00 34.95 30.69 3ihu s ARG 72 CO 0.32 -0.64 0.00 0.72 -1.13 0.00 0.00 175.30 174.57 3ihu n HIS 73 N 3.91 0.00 -3.65 5.89 8.25 -1.26 -4.78 115.22 123.58 3ihu n HIS 73 Ca 0.14 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.45 3ihu n HIS 73 Cb 0.38 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.41 3ihu n HIS 73 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3ihu s ARG 74 N 0.00 0.83 0.00 -0.41 1.70 -1.25 -5.16 118.95 114.66 3ihu s ARG 74 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 55.73 55.34 3ihu s ARG 74 Cb 0.00 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 3ihu s ARG 74 CO 0.00 -0.24 0.00 0.41 -1.08 0.00 0.00 175.30 174.39 3ihu n GLY 75 N 1.25 1.42 3.70 3.88 0.00 -1.26 -4.48 105.19 109.70 3ihu n GLY 75 Ca -0.20 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 43.75 3ihu n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihu s ALA 76 N -2.08 -1.46 -0.06 4.61 0.00 -1.15 -1.67 121.76 119.96 3ihu s ALA 76 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.06 3ihu s ALA 76 Cb 0.00 0.77 0.02 0.00 0.00 0.00 0.00 23.12 23.92 3ihu s ALA 76 CO 0.00 -0.94 -0.02 0.08 0.00 0.00 0.00 175.76 174.87 3ihu s VAL 77 N -3.67 0.46 0.22 0.00 1.01 -0.56 -0.24 120.40 117.63 3ihu s VAL 77 Ca 0.08 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 3ihu s VAL 77 Cb -0.03 -0.55 -0.10 0.00 0.00 0.00 0.00 36.38 35.70 3ihu s VAL 77 CO -0.00 0.24 1.45 -0.63 0.00 0.00 0.00 175.10 176.15 3ihu s ILE 78 N 1.35 2.73 0.57 2.22 1.01 -0.12 -0.96 121.20 128.00 3ihu s ILE 78 Ca -0.04 0.59 -0.20 0.00 0.00 0.00 0.00 60.65 61.00 3ihu s ILE 78 Cb -0.13 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 3ihu s ILE 78 CO -0.02 0.08 1.24 -0.13 0.00 0.00 0.00 174.94 176.11 3ihu s ARG 79 N -0.04 3.10 0.01 2.79 0.52 0.03 -0.48 118.95 124.87 3ihu s ARG 79 Ca 0.61 1.93 0.02 0.00 -0.52 0.00 0.00 55.73 57.77 3ihu s ARG 79 Cb -0.41 -2.07 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 3ihu s ARG 79 CO 0.40 -1.13 -0.06 0.50 0.02 0.00 0.00 175.30 175.03 3ihu s ARG 80 N -3.14 0.49 -0.07 3.54 3.52 -1.26 -3.41 118.95 118.61 3ihu s ARG 80 Ca 0.74 -0.36 0.01 0.00 -0.13 0.00 0.00 55.73 55.99 3ihu s ARG 80 Cb -0.33 -0.42 -0.03 0.00 -1.56 0.00 0.00 34.95 32.61 3ihu s ARG 80 CO 0.37 0.11 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.39 3ihu s LEU 81 N -0.54 3.16 0.93 -0.88 1.43 -1.26 -4.96 118.68 116.56 3ihu s LEU 81 Ca -0.01 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 3ihu s LEU 81 Cb -0.04 -1.69 0.15 0.00 0.03 0.00 0.00 46.19 44.63 3ihu s LEU 81 CO -0.00 0.35 1.09 -0.94 0.23 0.00 0.00 176.35 177.08 3ihu s SER 82 N -0.71 3.05 0.19 2.29 1.04 -1.26 -4.82 113.70 113.47 3ihu s SER 82 Ca 0.11 1.69 -0.12 0.00 0.48 0.00 0.00 55.95 58.11 3ihu s SER 82 Cb -0.11 -2.33 0.15 0.00 0.10 0.00 0.00 66.02 63.83 3ihu s SER 82 CO 0.02 -2.94 1.82 0.25 0.98 0.00 0.00 173.24 173.37 3ihu h LEU 83 N -1.75 0.58 -0.90 2.42 5.85 -1.99 -1.06 115.31 118.45 3ihu h LEU 83 Ca -0.49 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.19 3ihu h LEU 83 Cb 1.28 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3ihu h LEU 83 CO 0.50 0.40 0.29 -0.61 -0.34 0.00 0.00 178.44 178.68 3ihu h GLN 84 N 0.70 1.09 -0.14 1.25 5.75 -1.99 -0.61 115.11 121.16 3ihu h GLN 84 Ca 0.25 -0.19 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 3ihu h GLN 84 Cb 0.05 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 3ihu h GLN 84 CO -0.11 0.89 -0.13 0.93 -2.65 0.00 0.00 178.83 177.75 3ihu h GLU 85 N 1.06 0.22 0.22 1.69 5.08 -1.77 -1.06 114.58 120.02 3ihu h GLU 85 Ca 0.24 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3ihu h GLU 85 Cb 0.21 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3ihu h GLU 85 CO -0.02 0.36 -0.11 1.15 -1.00 0.00 0.00 179.01 179.39 3ihu h THR 86 N 0.21 0.86 -0.89 1.13 2.02 -0.27 -1.32 112.91 114.66 3ihu h THR 86 Ca 0.04 -0.60 0.08 0.00 0.77 0.00 0.00 66.41 66.71 3ihu h THR 86 Cb 0.36 1.20 -0.06 0.00 -1.74 0.00 0.00 68.15 67.91 3ihu h THR 86 CO 0.02 0.13 0.57 -0.07 0.37 0.00 0.00 175.52 176.55 3ihu h LEU 87 N -0.61 0.83 -0.43 2.58 3.38 -0.93 0.07 115.31 120.21 3ihu h LEU 87 Ca -0.03 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ihu h LEU 87 Cb 0.44 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3ihu h LEU 87 CO 0.05 0.51 0.21 0.44 0.09 0.00 0.00 178.44 179.74 3ihu h ASP 88 N 0.93 0.55 -0.46 -0.43 3.32 -1.12 -0.13 116.42 119.08 3ihu h ASP 88 Ca 0.40 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.37 3ihu h ASP 88 Cb 0.32 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 3ihu h ASP 88 CO -0.16 0.51 0.24 0.58 -1.72 0.00 0.00 179.24 178.69 3ihu h VAL 89 N 0.55 0.99 -0.55 -1.35 2.07 -0.65 -2.94 116.25 114.37 3ihu h VAL 89 Ca 0.15 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 3ihu h VAL 89 Cb 0.10 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3ihu h VAL 89 CO -0.02 0.09 0.13 -0.07 0.02 0.00 0.00 177.57 177.72 3ihu h LEU 90 N 0.48 0.79 -0.23 2.57 3.38 -0.55 -1.16 115.31 120.59 3ihu h LEU 90 Ca 0.20 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3ihu h LEU 90 Cb 0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3ihu h LEU 90 CO -0.13 0.78 0.04 0.44 0.09 0.00 0.00 178.44 179.67 3ihu h ASP 91 N 0.82 0.01 -0.37 -0.43 3.32 -0.88 0.20 116.42 119.10 3ihu h ASP 91 Ca 0.18 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 3ihu h ASP 91 Cb 0.30 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3ihu h ASP 91 CO -0.00 0.04 0.04 0.58 -1.72 0.00 0.00 179.24 178.18 3ihu h VAL 92 N 0.14 1.25 -0.55 -1.35 2.07 -1.32 -3.04 116.25 113.44 3ihu h VAL 92 Ca 0.11 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 3ihu h VAL 92 Cb 0.11 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3ihu h VAL 92 CO -0.14 0.30 0.11 0.00 0.02 0.00 0.00 177.57 177.85 3ihu h ALA 93 N 0.90 1.16 0.10 1.67 0.00 -0.75 -2.86 119.26 119.48 3ihu h ALA 93 Ca 0.11 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3ihu h ALA 93 Cb 0.39 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ihu h ALA 93 CO 0.01 0.56 -0.14 1.49 0.00 0.00 0.00 179.25 181.18 3ihu h GLU 94 N 0.82 -0.27 -1.22 0.00 4.81 -0.52 0.23 114.58 118.43 3ihu h GLU 94 Ca 0.17 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3ihu h GLU 94 Cb 0.34 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3ihu h GLU 94 CO 0.00 -0.18 0.00 0.54 -0.73 0.00 0.00 179.01 178.64 3ihu n ARG 95 N -5.26 0.61 0.00 1.92 1.74 -1.08 -1.19 116.66 113.40 3ihu n ARG 95 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3ihu n ARG 95 Cb 0.18 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 3ihu n ARG 95 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3ihu n THR 97 N 0.59 0.00 -0.06 0.55 -1.04 0.82 -1.73 114.28 113.41 3ihu n THR 97 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 3ihu n THR 97 Cb 0.28 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.77 3ihu n THR 97 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3ihu h GLY 98 N 0.00 0.23 0.97 3.41 0.00 -1.36 -1.97 103.07 104.35 3ihu h GLY 98 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 3ihu h GLY 98 CO 0.00 -0.06 0.16 -2.00 0.00 0.00 0.00 176.54 174.64 3ihu h LEU 99 N 0.07 0.70 -0.01 3.11 5.85 -1.60 -0.63 115.31 122.80 3ihu h LEU 99 Ca 0.12 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3ihu h LEU 99 Cb 0.16 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3ihu h LEU 99 CO -0.21 0.71 -0.34 0.25 -0.34 0.00 0.00 178.44 178.52 3ihu h LEU 100 N 0.65 -1.02 -0.75 2.25 5.85 -1.79 0.34 115.31 120.84 3ihu h LEU 100 Ca 0.16 0.13 0.07 0.00 0.84 0.00 0.00 57.88 59.08 3ihu h LEU 100 Cb 0.26 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 3ihu h LEU 100 CO -0.01 -0.40 0.44 0.00 -0.34 0.00 0.00 178.44 178.13 3ihu h ALA 101 N 0.21 1.03 0.21 1.25 0.00 -1.30 -1.73 119.26 118.92 3ihu h ALA 101 Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ihu h ALA 101 Cb 0.58 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ihu h ALA 101 CO -0.28 0.12 -0.10 -0.09 0.00 0.00 0.00 179.25 178.90 3ihu h ARG 102 N 0.78 -0.27 0.00 0.00 2.43 -0.09 -2.54 114.38 114.70 3ihu h ARG 102 Ca 0.34 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.50 3ihu h ARG 102 Cb 0.22 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3ihu h ARG 102 CO -0.19 -0.12 -0.12 0.00 -1.51 0.00 0.00 179.97 178.02 3ihu h ALA 103 N 0.42 1.76 0.00 2.80 0.00 -0.20 -2.65 119.26 121.38 3ihu h ALA 103 Ca -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ihu h ALA 103 Cb 0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ihu h ALA 103 CO 0.05 0.15 -0.06 0.00 0.00 0.00 0.00 179.25 179.39 3ihu h ALA 104 N 1.88 1.03 -0.72 0.00 0.00 -0.87 -1.84 119.26 118.73 3ihu h ALA 104 Ca -0.00 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.01 3ihu h ALA 104 Cb 0.22 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3ihu h ALA 104 CO 0.02 0.07 0.49 1.79 0.00 0.00 0.00 179.25 181.62 3ihu h THR 105 N 0.00 0.76 -0.27 0.00 1.35 -1.44 -0.35 112.91 112.96 3ihu h THR 105 Ca -0.00 -0.10 0.08 0.00 -0.55 0.00 0.00 66.41 65.84 3ihu h THR 105 Cb 0.52 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 3ihu h THR 105 CO 0.01 0.05 0.32 0.03 -0.25 0.00 0.00 175.52 175.68 3ihu h ARG 106 N 0.30 0.00 -0.66 4.72 3.08 -1.53 -0.72 114.38 119.57 3ihu h ARG 106 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3ihu h ARG 106 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 3ihu h ARG 106 CO -0.09 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.22 3ihu n GLY 107 N -1.42 2.62 0.17 0.04 0.00 -0.14 -4.54 105.19 101.91 3ihu n GLY 107 Ca 0.04 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.43 3ihu n GLY 107 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ihu h SER 108 N 3.90 0.00 0.17 1.61 4.64 -1.14 0.16 113.55 122.89 3ihu h SER 108 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ihu h SER 108 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3ihu h SER 108 CO 0.05 0.00 -0.25 0.61 -0.87 0.00 0.00 176.83 176.38 3ihu n GLY 109 N -0.69 -0.42 3.47 -0.77 0.00 -1.26 -4.85 105.19 100.67 3ihu n GLY 109 Ca 0.00 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 3ihu n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ihu s ASN 110 N -2.42 6.18 0.20 1.61 3.84 0.04 -4.92 114.94 119.48 3ihu s ASN 110 Ca 0.25 -0.89 -0.08 0.00 0.21 0.00 0.00 52.86 52.35 3ihu s ASN 110 Cb 0.19 -2.43 0.12 0.00 -0.55 0.00 0.00 41.25 38.58 3ihu s ASN 110 CO 0.50 -1.46 1.72 1.56 -2.79 0.00 0.00 177.10 176.64 3ihu h GLN 111 N 9.58 1.14 -0.91 0.43 1.08 -1.88 -0.29 115.11 124.27 3ihu h GLN 111 Ca -0.29 -0.26 0.08 0.00 -1.45 0.00 0.00 58.65 56.73 3ihu h GLN 111 Cb 1.07 -0.16 -0.07 0.00 -0.05 0.00 0.00 27.48 28.27 3ihu h GLN 111 CO 1.18 0.99 0.56 -1.35 -0.95 0.00 0.00 178.83 179.26 3ihu h PRO 112 N 1.09 0.94 -0.11 1.46 0.11 -1.97 0.11 132.00 133.62 3ihu h PRO 112 Ca 0.23 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 66.09 3ihu h PRO 112 Cb 0.35 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 3ihu h PRO 112 CO -0.00 0.62 -0.71 1.96 -0.21 0.00 0.00 178.00 179.65 3ihu h GLN 113 N 0.97 0.51 0.08 1.05 4.20 -1.72 -0.42 115.11 119.79 3ihu h GLN 113 Ca 0.42 -0.40 0.01 0.00 0.06 0.00 0.00 58.65 58.74 3ihu h GLN 113 Cb 0.29 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3ihu h GLN 113 CO -0.21 1.03 -0.16 0.28 -0.67 0.00 0.00 178.83 179.10 3ihu h VAL 114 N 0.36 0.63 -0.45 -0.54 2.07 -0.64 0.82 116.25 118.50 3ihu h VAL 114 Ca -0.03 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 3ihu h VAL 114 Cb 1.30 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3ihu h VAL 114 CO 0.13 0.00 -0.00 1.56 0.02 0.00 0.00 177.57 179.28 3ihu h GLN 115 N -0.30 0.73 -0.74 1.57 1.08 -0.89 -1.09 115.11 115.47 3ihu h GLN 115 Ca 0.03 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.02 3ihu h GLN 115 Cb 0.33 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 3ihu h GLN 115 CO -0.09 0.75 0.40 0.00 -0.95 0.00 0.00 178.83 178.93 3ihu h ALA 116 N 1.31 1.30 -0.29 3.87 0.00 -0.55 -1.56 119.26 123.34 3ihu h ALA 116 Ca 0.14 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3ihu h ALA 116 Cb 0.43 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ihu h ALA 116 CO 0.02 0.56 -0.45 1.25 0.00 0.00 0.00 179.25 180.63 3ihu h LEU 117 N 1.04 0.90 -0.99 0.00 5.85 0.21 -1.33 115.31 120.98 3ihu h LEU 117 Ca 0.26 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3ihu h LEU 117 Cb 0.04 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 3ihu h LEU 117 CO -0.04 1.24 0.61 0.03 -0.34 0.00 0.00 178.44 179.94 3ihu h ARG 118 N 0.58 1.29 -0.45 1.25 3.08 -1.16 -1.62 114.38 117.36 3ihu h ARG 118 Ca 0.03 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 3ihu h ARG 118 Cb 1.05 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3ihu h ARG 118 CO 0.10 0.88 -0.20 0.00 -1.07 0.00 0.00 179.97 179.68 3ihu h ALA 119 N 1.35 0.79 -0.67 0.04 0.00 -0.90 -1.02 119.26 118.86 3ihu h ALA 119 Ca 0.35 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ihu h ALA 119 Cb -0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3ihu h ALA 119 CO -0.07 0.65 0.30 0.66 0.00 0.00 0.00 179.25 180.80 3ihu h SER 120 N 0.78 0.87 -0.04 0.00 4.64 -0.74 0.30 113.55 119.36 3ihu h SER 120 Ca 0.11 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ihu h SER 120 Cb 0.74 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3ihu h SER 120 CO 0.06 0.75 0.01 0.58 -0.87 0.00 0.00 176.83 177.36 3ihu h VAL 121 N 0.95 1.19 -0.81 0.95 2.07 -0.94 0.13 116.25 119.79 3ihu h VAL 121 Ca 0.23 -0.58 0.14 0.00 0.82 0.00 0.00 66.70 67.31 3ihu h VAL 121 Cb 0.13 1.52 -0.09 0.00 -1.52 0.00 0.00 31.29 31.32 3ihu h VAL 121 CO -0.03 0.16 0.39 1.56 0.02 0.00 0.00 177.57 179.67 3ihu h GLN 122 N -0.17 0.55 0.00 1.57 1.08 -0.77 -0.65 115.11 116.71 3ihu h GLN 122 Ca 0.01 -0.03 -0.13 0.00 -1.45 0.00 0.00 58.65 57.05 3ihu h GLN 122 Cb 0.25 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 3ihu h GLN 122 CO 0.00 0.36 -0.62 0.00 -0.95 0.00 0.00 178.83 177.62 3ihu h ALA 123 N 1.55 0.93 0.22 3.87 0.00 -0.43 -0.87 119.26 124.52 3ihu h ALA 123 Ca 0.44 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3ihu h ALA 123 Cb 0.64 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ihu h ALA 123 CO -0.37 0.78 -0.10 -0.07 0.00 0.00 0.00 179.25 179.48 3ihu h LEU 124 N 0.00 -0.25 -0.49 0.00 3.38 0.14 -1.21 115.31 116.89 3ihu h LEU 124 Ca -0.01 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 57.83 3ihu h LEU 124 Cb 1.13 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.84 3ihu h LEU 124 CO 0.08 0.12 -0.20 0.58 0.09 0.00 0.00 178.44 179.11 3ihu h VAL 125 N -0.64 0.37 -0.84 1.22 2.07 -1.07 -0.53 116.25 116.83 3ihu h VAL 125 Ca -0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3ihu h VAL 125 Cb 0.46 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3ihu h VAL 125 CO 0.05 0.00 0.39 0.00 0.02 0.00 0.00 177.57 178.03 3ihu h ALA 126 N 1.26 1.10 -0.09 1.67 0.00 -1.15 -2.47 119.26 119.58 3ihu h ALA 126 Ca 0.23 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3ihu h ALA 126 Cb 0.45 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ihu h ALA 126 CO -0.55 0.67 -0.54 0.00 0.00 0.00 0.00 179.25 178.83 3ihu h ALA 127 N 1.22 0.92 -0.57 0.00 0.00 -0.54 -2.50 119.26 117.79 3ihu h ALA 127 Ca 0.29 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3ihu h ALA 127 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ihu h ALA 127 CO -0.03 0.69 0.16 1.49 0.00 0.00 0.00 179.25 181.55 3ihu h GLU 128 N 0.20 0.91 0.78 0.00 4.22 -0.76 0.40 114.58 120.34 3ihu h GLU 128 Ca 0.00 -0.21 -0.04 0.00 0.08 0.00 0.00 59.36 59.20 3ihu h GLU 128 Cb 1.02 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.15 3ihu h GLU 128 CO 0.08 0.83 -0.38 0.87 -2.18 0.00 0.00 179.01 178.24 3ihu h LYS 129 N 0.82 -1.01 0.00 1.92 1.57 -1.37 -2.58 116.57 115.91 3ihu h LYS 129 Ca 0.18 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3ihu h LYS 129 Cb 0.32 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3ihu h LYS 129 CO -0.00 -0.68 0.07 0.00 -0.57 0.00 0.00 179.45 178.27 3ihu n ALA 130 N -2.69 0.92 -3.16 3.86 0.00 -0.95 -4.84 120.51 113.65 3ihu n ALA 130 Ca -0.13 0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 3ihu n ALA 130 Cb 0.42 -1.08 0.07 0.00 0.00 0.00 0.00 19.45 18.85 3ihu n ALA 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ihu n GLN 131 N -1.95 -4.25 -3.97 0.00 6.02 -0.06 -4.96 117.38 108.21 3ihu n GLN 131 Ca -0.01 0.75 -0.31 0.00 -0.01 0.00 0.00 57.00 57.43 3ihu n GLN 131 Cb 0.09 -5.39 -0.14 0.00 1.02 0.00 0.00 30.24 25.81 3ihu n GLN 131 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3ihu s ASP 132 N -3.85 4.55 0.57 1.08 -1.08 -0.09 -4.95 116.67 112.91 3ihu s ASP 132 Ca 0.16 -2.64 0.27 0.00 -0.52 0.00 0.00 52.55 49.82 3ihu s ASP 132 Cb -0.02 -1.65 1.52 0.00 -1.46 0.00 0.00 42.92 41.31 3ihu s ASP 132 CO 0.64 -0.30 2.03 1.23 0.52 0.00 0.00 175.17 179.29 3ihu h GLY 133 N 7.00 0.00 0.46 2.66 0.00 -1.93 0.11 103.07 111.37 3ihu h GLY 133 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 3ihu h GLY 133 CO 0.62 0.00 -0.10 -2.09 0.00 0.00 0.00 176.54 174.97 3ihu h GLU 134 N 0.00 0.11 0.00 4.80 4.81 -1.95 -1.44 114.58 120.91 3ihu h GLU 134 Ca 0.16 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 3ihu h GLU 134 Cb 0.77 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 3ihu h GLU 134 CO -0.00 0.74 -0.65 1.79 -0.73 0.00 0.00 179.01 180.16 3ihu h THR 135 N -0.48 1.39 -0.12 0.32 1.35 -1.86 -1.95 112.91 111.57 3ihu h THR 135 Ca -0.01 -2.29 -0.02 0.00 -0.55 0.00 0.00 66.41 63.55 3ihu h THR 135 Cb 0.76 2.26 -0.00 0.00 -1.73 0.00 0.00 68.15 69.43 3ihu h THR 135 CO 0.02 0.64 0.02 0.15 -0.25 0.00 0.00 175.52 176.09 3ihu h PHE 136 N 0.00 0.21 -0.56 4.73 3.57 -0.82 -0.44 116.94 123.63 3ihu h PHE 136 Ca -0.01 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.52 3ihu h PHE 136 Cb 1.21 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.84 3ihu h PHE 136 CO 0.00 0.40 0.28 0.77 -2.23 0.00 0.00 178.31 177.53 3ihu h SER 137 N -0.04 0.39 -0.21 0.41 0.02 -1.17 0.27 113.55 113.21 3ihu h SER 137 Ca 0.04 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3ihu h SER 137 Cb 0.31 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3ihu h SER 137 CO 0.00 0.26 0.13 0.78 -1.14 0.00 0.00 176.83 176.87 3ihu h ASN 138 N 0.53 0.25 -0.80 3.07 2.35 -1.18 -0.18 115.58 119.62 3ihu h ASN 138 Ca 0.25 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 3ihu h ASN 138 Cb 0.18 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 3ihu h ASN 138 CO -0.19 0.20 0.48 0.00 -1.65 0.00 0.00 177.43 176.28 3ihu h ALA 139 N 1.06 1.32 -0.32 -0.83 0.00 -0.61 -0.99 119.26 118.89 3ihu h ALA 139 Ca 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3ihu h ALA 139 Cb -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3ihu h ALA 139 CO -0.02 0.58 0.05 -0.09 0.00 0.00 0.00 179.25 179.77 3ihu h ARG 140 N 1.12 0.53 -0.38 0.00 2.43 -0.18 -0.13 114.38 117.77 3ihu h ARG 140 Ca 0.29 -0.14 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 3ihu h ARG 140 Cb -0.03 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.38 3ihu h ARG 140 CO -0.05 0.62 -0.12 0.00 -1.51 0.00 0.00 179.97 178.91 3ihu h ARG 141 N 0.36 -0.03 -0.65 0.20 3.08 -0.47 -1.93 114.38 114.94 3ihu h ARG 141 Ca 0.10 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 3ihu h ARG 141 Cb 0.35 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3ihu h ARG 141 CO 0.01 -0.02 0.08 1.25 -1.07 0.00 0.00 179.97 180.21 3ihu h HIS 142 N -0.03 1.18 -0.21 3.04 2.76 -1.00 -1.33 115.15 119.56 3ihu h HIS 142 Ca 0.18 -0.18 0.05 0.00 -2.20 0.00 0.00 60.37 58.23 3ihu h HIS 142 Cb 0.31 -0.32 -0.06 0.00 1.55 0.00 0.00 27.41 28.89 3ihu h HIS 142 CO -0.36 1.00 -0.17 0.35 -1.30 0.00 0.00 177.93 177.45 3ihu h PHE 143 N 1.02 -0.44 -0.26 5.26 3.57 -0.66 -0.07 116.94 125.35 3ihu h PHE 143 Ca 0.19 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 3ihu h PHE 143 Cb 0.48 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 3ihu h PHE 143 CO 0.04 -0.25 -0.03 1.88 -2.23 0.00 0.00 178.31 177.72 3ihu h TYR 144 N -0.18 0.54 -0.29 0.41 0.05 -1.22 -1.92 116.97 114.37 3ihu h TYR 144 Ca 0.13 -0.11 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 3ihu h TYR 144 Cb 0.36 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 3ihu h TYR 144 CO -0.32 0.68 0.01 0.00 -1.05 0.00 0.00 178.16 177.47 3ihu h ARG 145 N 0.25 0.43 -0.41 4.88 3.08 -1.16 -0.20 114.38 121.26 3ihu h ARG 145 Ca 0.07 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3ihu h ARG 145 Cb 0.48 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3ihu h ARG 145 CO 0.02 0.45 0.05 1.15 -1.07 0.00 0.00 179.97 180.57 3ihu h THR 146 N 0.42 1.25 -0.67 2.04 2.02 -0.70 0.54 112.91 117.80 3ihu h THR 146 Ca 0.10 -0.91 0.03 0.00 0.77 0.00 0.00 66.41 66.39 3ihu h THR 146 Cb 0.26 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 3ihu h THR 146 CO 0.01 0.31 0.42 -0.07 0.37 0.00 0.00 175.52 176.56 3ihu h LEU 147 N 0.53 0.68 -0.28 2.58 3.38 -0.95 -2.62 115.31 118.63 3ihu h LEU 147 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ihu h LEU 147 Cb 0.40 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3ihu h LEU 147 CO 0.01 0.47 0.19 0.25 0.09 0.00 0.00 178.44 179.45 3ihu h LEU 148 N 0.82 0.33 -2.33 1.67 5.85 -0.42 -2.06 115.31 119.16 3ihu h LEU 148 Ca 0.27 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3ihu h LEU 148 Cb 0.02 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3ihu h LEU 148 CO -0.11 0.24 0.00 -0.62 -0.34 0.00 0.00 178.44 177.61 3ihu n GLU 149 N -4.89 0.12 0.00 1.25 -0.58 0.12 -1.32 120.64 115.35 3ihu n GLU 149 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 3ihu n GLU 149 Cb 0.03 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 3ihu n GLU 149 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ihu n GLY 151 N 1.11 0.00 3.44 0.62 0.00 -0.78 -4.91 105.19 104.67 3ihu n GLY 151 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3ihu n GLY 151 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ihu n ASP 152 N 0.00 -3.45 -4.55 1.61 2.03 -0.44 -4.83 116.55 106.92 3ihu n ASP 152 Ca 0.00 -0.43 -0.43 0.00 0.52 0.00 0.00 54.79 54.45 3ihu n ASP 152 Cb 0.00 -2.87 -0.03 0.00 -0.72 0.00 0.00 41.12 37.49 3ihu n ASP 152 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3ihu s ASN 153 N -2.75 6.40 0.38 1.67 3.84 -1.26 -4.91 114.94 118.31 3ihu s ASN 153 Ca 0.43 -0.11 0.05 0.00 0.21 0.00 0.00 52.86 53.43 3ihu s ASN 153 Cb -0.23 -2.49 0.74 0.00 -0.55 0.00 0.00 41.25 38.73 3ihu s ASN 153 CO 0.52 -1.31 2.00 -0.09 -2.79 0.00 0.00 177.10 175.44 3ihu h ARG 154 N 9.38 0.62 -0.44 0.43 2.43 -1.96 -1.04 114.38 123.80 3ihu h ARG 154 Ca -0.25 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 58.80 3ihu h ARG 154 Cb 1.07 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 3ihu h ARG 154 CO 1.12 0.46 0.01 1.49 -1.51 0.00 0.00 179.97 181.54 3ihu h GLU 155 N 0.63 0.70 -0.15 0.20 4.57 -2.00 -1.74 114.58 116.79 3ihu h GLU 155 Ca 0.16 -0.17 -0.20 0.00 -1.18 0.00 0.00 59.36 57.97 3ihu h GLU 155 Cb 0.01 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 3ihu h GLU 155 CO -0.03 0.71 -0.71 1.25 -1.18 0.00 0.00 179.01 179.05 3ihu h LEU 156 N 0.66 0.76 -0.63 1.64 5.85 -1.65 -1.94 115.31 120.01 3ihu h LEU 156 Ca 0.14 -0.48 0.13 0.00 0.84 0.00 0.00 57.88 58.51 3ihu h LEU 156 Cb 0.39 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.10 3ihu h LEU 156 CO 0.01 1.25 0.07 0.03 -0.34 0.00 0.00 178.44 179.46 3ihu h ARG 157 N 0.46 0.18 -0.57 1.25 3.08 -1.00 0.22 114.38 117.99 3ihu h ARG 157 Ca -0.03 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3ihu h ARG 157 Cb 1.31 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 3ihu h ARG 157 CO 0.14 0.12 0.25 -0.09 -1.07 0.00 0.00 179.97 179.32 3ihu h ARG 158 N 0.19 0.82 -0.46 0.04 2.43 -0.80 -2.82 114.38 113.77 3ihu h ARG 158 Ca 0.33 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3ihu h ARG 158 Cb 0.53 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3ihu h ARG 158 CO -0.48 0.66 0.00 1.28 -1.51 0.00 0.00 179.97 179.92 3ihu n LEU 159 N -4.34 4.38 -0.26 3.80 4.77 -0.75 -4.72 117.00 119.88 3ihu n LEU 159 Ca 0.05 -2.65 0.18 0.00 -0.03 0.00 0.00 56.01 53.56 3ihu n LEU 159 Cb 0.15 -0.53 0.49 0.00 -2.33 0.00 0.00 43.42 41.19 3ihu n LEU 159 CO 0.38 0.72 1.22 0.15 -1.33 0.00 0.00 177.39 178.54 3ihu h PHE 160 N 3.01 0.60 0.00 -1.77 3.57 -0.32 -0.94 116.94 121.09 3ihu h PHE 160 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3ihu h PHE 160 Cb 1.44 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.99 3ihu h PHE 160 CO 0.66 0.16 0.00 -1.35 -2.23 0.00 0.00 178.31 175.54 3ihu h PRO 161 N 0.45 0.00 0.00 6.41 0.11 -1.85 -2.09 132.00 135.02 3ihu h PRO 161 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 3ihu h PRO 161 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ihu h PRO 161 CO -0.20 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.84 3ihu n THR 162 N -2.62 1.00 0.03 -1.15 -2.24 -0.36 -2.08 114.28 106.87 3ihu n THR 162 Ca -0.01 0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.89 3ihu n THR 162 Cb 0.11 -1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 67.19 3ihu n THR 162 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3ihu h ILE 163 N 0.00 1.09 -2.89 2.28 2.04 -1.58 -3.31 117.51 115.14 3ihu h ILE 163 Ca 0.00 -2.81 0.00 0.00 1.00 0.00 0.00 64.86 63.05 3ihu h ILE 163 Cb 0.23 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 3ihu h ILE 163 CO 0.00 0.75 0.00 1.41 0.00 0.00 0.00 178.15 180.31 3ihu n HIS 164 N -3.32 -2.44 0.00 1.37 8.25 -0.88 -4.93 115.22 113.27 3ihu n HIS 164 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3ihu n HIS 164 Cb 1.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.14 3ihu n HIS 164 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3ihu n PRO 166 N -0.72 0.00 -0.04 -0.41 -0.05 -1.26 -4.97 135.00 127.56 3ihu n PRO 166 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 63.50 63.32 3ihu n PRO 166 Cb 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 33.50 33.37 3ihu n PRO 166 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 175.50 176.27 3ihu h ILE 167 N 0.00 1.37 -0.63 0.52 1.08 -1.94 -1.62 117.51 116.29 3ihu h ILE 167 Ca 0.00 -1.30 0.02 0.00 -0.39 0.00 0.00 64.86 63.19 3ihu h ILE 167 Cb 0.00 2.03 -0.04 0.00 -3.07 0.00 0.00 36.82 35.75 3ihu h ILE 167 CO 0.00 0.37 0.40 0.58 -0.69 0.00 0.00 178.15 178.80 3ihu h VAL 168 N -0.20 1.10 -0.47 1.67 2.07 -1.97 0.53 116.25 118.98 3ihu h VAL 168 Ca 0.01 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.33 3ihu h VAL 168 Cb 0.64 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 3ihu h VAL 168 CO 0.03 0.14 0.13 -0.74 0.02 0.00 0.00 177.57 177.15 3ihu h HIS 169 N 0.79 0.23 0.03 1.57 -0.00 -1.91 -0.62 115.15 115.23 3ihu h HIS 169 Ca 0.24 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.64 3ihu h HIS 169 Cb -0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 3ihu h HIS 169 CO -0.04 0.05 -0.02 0.00 -0.00 0.00 0.00 177.93 177.92 3ihu h ALA 170 N 1.34 -0.04 -0.78 5.26 0.00 -0.27 -1.91 119.26 122.84 3ihu h ALA 170 Ca 0.23 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3ihu h ALA 170 Cb 0.27 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3ihu h ALA 170 CO -0.26 -0.15 0.48 0.37 0.00 0.00 0.00 179.25 179.68 3ihu h GLN 171 N -0.79 0.86 -0.67 0.00 4.15 0.08 -2.65 115.11 116.10 3ihu h GLN 171 Ca -0.00 -0.05 -0.30 0.00 0.77 0.00 0.00 58.65 59.06 3ihu h GLN 171 Cb 0.69 -0.19 -0.18 0.00 0.21 0.00 0.00 27.48 28.00 3ihu h GLN 171 CO 0.01 0.57 0.28 0.72 -1.93 0.00 0.00 178.83 178.47 3ihu n HIS 172 N -4.66 2.10 -4.11 3.99 8.25 -0.25 -4.95 115.22 115.59 3ihu n HIS 172 Ca 0.10 -1.57 -0.29 0.00 -0.26 0.00 0.00 57.72 55.71 3ihu n HIS 172 Cb 0.15 -0.69 -0.05 0.00 1.12 0.00 0.00 29.99 30.52 3ihu n HIS 172 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3ihu n ARG 173 N -0.91 -2.10 0.29 -0.41 0.00 -1.00 -4.83 116.66 107.70 3ihu n ARG 173 Ca 0.44 0.26 0.15 0.00 -0.00 0.00 0.00 57.85 58.70 3ihu n ARG 173 Cb 1.34 -4.03 0.85 0.00 -0.00 0.00 0.00 32.46 30.62 3ihu n ARG 173 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3ihu h LEU 174 N -1.85 0.00 -1.90 2.89 4.07 -1.61 -2.14 115.31 114.76 3ihu h LEU 174 Ca -0.65 0.00 0.27 0.00 0.08 0.00 0.00 57.88 57.59 3ihu h LEU 174 Cb 1.39 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.08 3ihu h LEU 174 CO 0.65 0.06 0.69 0.00 -1.08 0.00 0.00 178.44 178.76 3ihu h ALA 175 N 1.94 2.80 0.00 1.53 0.00 -1.88 -2.10 119.26 121.55 3ihu h ALA 175 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ihu h ALA 175 Cb 0.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ihu h ALA 175 CO 0.01 -1.09 0.00 0.43 0.00 0.00 0.00 179.25 178.60 3ihu n SER 176 N -4.30 0.01 -0.68 0.00 7.64 -0.81 -3.34 113.62 112.14 3ihu n SER 176 Ca 0.21 0.50 0.05 0.00 1.01 0.00 0.00 58.87 60.64 3ihu n SER 176 Cb 1.00 -0.50 0.20 0.00 -1.01 0.00 0.00 64.21 63.89 3ihu n SER 176 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3ihu n LEU 177 N -1.51 3.32 -0.32 -3.43 4.77 -0.79 -4.81 117.00 114.24 3ihu n LEU 177 Ca 0.05 -3.39 0.18 0.00 -0.03 0.00 0.00 56.01 52.82 3ihu n LEU 177 Cb 0.23 -0.53 0.42 0.00 -2.33 0.00 0.00 43.42 41.20 3ihu n LEU 177 CO 0.18 0.96 1.20 0.03 -1.33 0.00 0.00 177.39 178.43 3ihu h ARG 178 N 0.94 0.55 0.00 3.23 3.08 -1.69 -1.81 114.38 118.68 3ihu h ARG 178 Ca 0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3ihu h ARG 178 Cb 1.30 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3ihu h ARG 178 CO 0.17 0.37 0.00 0.94 -1.07 0.00 0.00 179.97 180.37 3ihu n GLN 179 N -4.69 0.00 0.00 0.04 7.27 -1.26 -0.89 117.38 117.84 3ihu n GLN 179 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.31 3ihu n GLN 179 Cb 0.71 -0.98 0.00 0.00 2.41 0.00 0.00 30.24 32.38 3ihu n GLN 179 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3ihu n ARG 181 N -0.04 0.00 -0.16 3.69 1.74 -0.68 -2.51 116.66 118.71 3ihu n ARG 181 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 3ihu n ARG 181 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.47 3ihu n ARG 181 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3ihu h LEU 182 N 0.00 -0.58 -0.78 0.55 5.85 -1.27 0.90 115.31 119.98 3ihu h LEU 182 Ca 0.00 0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.94 3ihu h LEU 182 Cb 0.00 0.35 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 3ihu h LEU 182 CO 0.00 -0.20 0.47 0.44 -0.34 0.00 0.00 178.44 178.82 3ihu h ASP 183 N -0.04 0.75 -0.31 1.25 3.32 -1.75 -0.65 116.42 118.99 3ihu h ASP 183 Ca 0.24 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3ihu h ASP 183 Cb 0.41 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3ihu h ASP 183 CO -0.54 0.49 0.16 0.44 -1.72 0.00 0.00 179.24 178.07 3ihu h ASP 184 N 0.88 0.40 -0.67 6.45 3.32 -1.60 -1.75 116.42 123.44 3ihu h ASP 184 Ca 0.34 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3ihu h ASP 184 Cb 0.14 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3ihu h ASP 184 CO -0.16 0.39 0.44 1.88 -1.72 0.00 0.00 179.24 180.06 3ihu h TYR 185 N 0.38 0.85 -0.25 4.55 0.05 -0.30 -0.66 116.97 121.59 3ihu h TYR 185 Ca 0.11 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.96 3ihu h TYR 185 Cb 0.08 -0.29 -0.05 0.00 1.01 0.00 0.00 36.73 37.48 3ihu h TYR 185 CO -0.03 0.54 -0.10 0.00 -1.05 0.00 0.00 178.16 177.53 3ihu h ARG 186 N 0.91 -0.05 -0.96 4.88 3.08 -0.99 -1.18 114.38 120.06 3ihu h ARG 186 Ca 0.24 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.31 3ihu h ARG 186 Cb -0.09 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 3ihu h ARG 186 CO -0.05 -0.03 0.64 0.00 -1.07 0.00 0.00 179.97 179.45 3ihu h ARG 187 N -0.05 1.26 -0.21 0.04 3.08 -0.82 -0.61 114.38 117.07 3ihu h ARG 187 Ca 0.13 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3ihu h ARG 187 Cb 0.24 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3ihu h ARG 187 CO -0.29 0.84 0.13 0.82 -1.07 0.00 0.00 179.97 180.39 3ihu h ILE 188 N 1.30 1.08 -0.23 2.04 2.04 -0.89 -0.58 117.51 122.28 3ihu h ILE 188 Ca 0.35 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 3ihu h ILE 188 Cb -0.15 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3ihu h ILE 188 CO -0.08 0.08 0.14 0.00 0.00 0.00 0.00 178.15 178.30 3ihu h ALA 189 N 1.03 0.29 -0.55 1.87 0.00 -0.81 0.29 119.26 121.39 3ihu h ALA 189 Ca 0.07 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3ihu h ALA 189 Cb 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3ihu h ALA 189 CO -0.01 -0.21 0.25 1.15 0.00 0.00 0.00 179.25 180.42 3ihu h THR 190 N 0.29 0.89 -0.36 0.00 2.02 -1.02 0.14 112.91 114.86 3ihu h THR 190 Ca 0.08 -0.16 -0.15 0.00 0.77 0.00 0.00 66.41 66.95 3ihu h THR 190 Cb 0.01 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 3ihu h THR 190 CO -0.02 0.09 -0.37 0.00 0.37 0.00 0.00 175.52 175.59 3ihu h ALA 191 N 1.33 0.67 -0.28 6.16 0.00 -0.59 -1.80 119.26 124.74 3ihu h ALA 191 Ca 0.25 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3ihu h ALA 191 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ihu h ALA 191 CO -0.21 0.67 0.08 0.28 0.00 0.00 0.00 179.25 180.06 3ihu h VAL 192 N 0.70 1.21 0.00 0.00 2.07 -0.08 -3.01 116.25 117.14 3ihu h VAL 192 Ca 0.06 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 3ihu h VAL 192 Cb 0.93 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3ihu h VAL 192 CO 0.09 0.22 -0.22 -0.07 0.02 0.00 0.00 177.57 177.61 3ihu h LEU 193 N 0.29 0.00 -1.38 2.57 3.38 -0.68 -1.89 115.31 117.60 3ihu h LEU 193 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3ihu h LEU 193 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3ihu h LEU 193 CO -0.00 0.22 -0.13 0.00 0.09 0.00 0.00 178.44 178.62 3ihu h ALA 194 N 1.78 1.05 0.00 1.53 0.00 -1.20 -3.48 119.26 118.94 3ihu h ALA 194 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ihu h ALA 194 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3ihu h ALA 194 CO 0.03 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.85 3ihu n GLY 195 N -0.02 1.04 3.61 0.00 0.00 -0.71 -5.03 105.19 104.08 3ihu n GLY 195 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3ihu n GLY 195 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ihu s GLU 196 N -0.50 4.03 0.22 1.61 -6.30 -1.26 -4.84 118.70 111.67 3ihu s GLU 196 Ca 0.00 0.05 -0.04 0.00 -2.50 0.00 0.00 54.97 52.48 3ihu s GLU 196 Cb 0.00 -3.64 0.22 0.00 0.00 0.00 0.00 34.13 30.70 3ihu s GLU 196 CO 0.00 -0.25 1.67 -1.00 0.02 0.00 0.00 175.26 175.70 3ihu h PRO 197 N 8.10 0.83 -0.61 4.30 0.13 -1.91 -2.65 132.00 140.19 3ihu h PRO 197 Ca -0.32 -0.28 -0.07 0.00 -0.87 0.00 0.00 66.00 64.45 3ihu h PRO 197 Cb 1.16 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3ihu h PRO 197 CO 0.65 0.90 0.10 -0.44 -0.23 0.00 0.00 178.00 178.98 3ihu h ASP 198 N 0.75 0.98 0.20 1.44 3.32 -1.94 0.43 116.42 121.59 3ihu h ASP 198 Ca 0.12 -0.26 -0.16 0.00 0.02 0.00 0.00 57.03 56.76 3ihu h ASP 198 Cb 0.61 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3ihu h ASP 198 CO 0.04 0.99 -0.59 0.00 -1.72 0.00 0.00 179.24 177.96 3ihu h ALA 199 N 1.02 0.76 -0.23 3.45 0.00 -1.92 -0.29 119.26 122.05 3ihu h ALA 199 Ca 0.19 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3ihu h ALA 199 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3ihu h ALA 199 CO 0.01 0.71 -0.03 0.00 0.00 0.00 0.00 179.25 179.94 3ihu h ALA 200 N 1.07 0.31 -0.82 0.00 0.00 -1.25 -1.02 119.26 117.54 3ihu h ALA 200 Ca -0.00 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3ihu h ALA 200 Cb 1.12 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3ihu h ALA 200 CO 0.10 0.07 0.54 1.49 0.00 0.00 0.00 179.25 181.45 3ihu h GLU 201 N 0.17 1.05 -0.36 0.00 4.81 -0.73 0.22 114.58 119.75 3ihu h GLU 201 Ca 0.06 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 3ihu h GLU 201 Cb 0.46 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3ihu h GLU 201 CO 0.02 0.69 -0.19 0.00 -0.73 0.00 0.00 179.01 178.81 3ihu h ALA 202 N 1.32 1.01 -0.29 2.92 0.00 -0.88 -0.93 119.26 122.40 3ihu h ALA 202 Ca 0.31 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3ihu h ALA 202 Cb -0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ihu h ALA 202 CO -0.09 0.59 -0.42 0.00 0.00 0.00 0.00 179.25 179.33 3ihu h ALA 203 N 1.20 0.70 0.30 0.00 0.00 -0.69 -0.07 119.26 120.70 3ihu h ALA 203 Ca 0.09 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3ihu h ALA 203 Cb 0.65 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ihu h ALA 203 CO 0.05 0.67 -0.14 0.78 0.00 0.00 0.00 179.25 180.60 3ihu h GLY 204 N 0.93 -0.42 0.83 0.00 0.00 -0.65 -2.88 103.07 100.88 3ihu h GLY 204 Ca 0.04 0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.56 3ihu h GLY 204 CO 0.09 -0.15 0.32 0.00 0.00 0.00 0.00 176.54 176.80 3ihu h ALA 205 N 0.31 0.72 -0.85 3.60 0.00 -1.14 -2.60 119.26 119.31 3ihu h ALA 205 Ca -0.04 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.02 3ihu h ALA 205 Cb 0.31 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 3ihu h ALA 205 CO 0.07 0.03 0.55 0.00 0.00 0.00 0.00 179.25 179.90 3ihu h ALA 206 N 1.26 2.01 -0.37 0.00 0.00 -0.89 -1.31 119.26 119.95 3ihu h ALA 206 Ca 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3ihu h ALA 206 Cb 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ihu h ALA 206 CO -0.11 -0.25 0.20 1.25 0.00 0.00 0.00 179.25 180.33 3ihu h HIS 207 N 0.53 0.52 -0.05 0.00 -0.00 -1.25 -0.29 115.15 114.61 3ihu h HIS 207 Ca 0.43 -0.02 -0.17 0.00 -0.00 0.00 0.00 60.37 60.61 3ihu h HIS 207 Cb 0.87 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 28.10 3ihu h HIS 207 CO -0.00 0.41 -0.71 0.28 -0.00 0.00 0.00 177.93 177.91 3ihu h VAL 208 N 0.47 1.41 -0.54 5.26 2.07 -1.37 -1.59 116.25 121.96 3ihu h VAL 208 Ca 0.13 -2.20 0.06 0.00 0.82 0.00 0.00 66.70 65.50 3ihu h VAL 208 Cb 0.07 2.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 3ihu h VAL 208 CO -0.02 0.65 0.26 0.11 0.02 0.00 0.00 177.57 178.59 3ihu h LYS 209 N 0.18 0.49 -0.61 1.57 1.57 -1.03 0.25 116.57 118.99 3ihu h LYS 209 Ca -0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3ihu h LYS 209 Cb 1.27 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 3ihu h LYS 209 CO 0.11 0.32 0.33 -0.91 -0.57 0.00 0.00 179.45 178.74 3ihu h ASN 210 N 0.50 0.76 -0.12 0.86 2.35 -0.56 -0.97 115.58 118.41 3ihu h ASN 210 Ca 0.25 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3ihu h ASN 210 Cb 0.19 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3ihu h ASN 210 CO -0.19 0.64 0.07 0.58 -1.65 0.00 0.00 177.43 176.88 3ihu h VAL 211 N 0.83 1.03 -0.40 2.81 2.07 -0.89 -1.71 116.25 119.99 3ihu h VAL 211 Ca 0.21 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.76 3ihu h VAL 211 Cb 0.04 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 3ihu h VAL 211 CO -0.03 0.03 -0.07 -0.09 0.02 0.00 0.00 177.57 177.43 3ihu h ARG 212 N 0.15 0.03 -0.56 1.57 2.43 -0.60 -0.23 114.38 117.18 3ihu h ARG 212 Ca 0.04 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3ihu h ARG 212 Cb -0.02 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3ihu h ARG 212 CO -0.01 0.02 0.35 0.78 -1.51 0.00 0.00 179.97 179.60 3ihu h GLY 213 N 0.03 0.80 0.79 2.80 0.00 -0.97 0.27 103.07 106.80 3ihu h GLY 213 Ca 0.19 -0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.31 3ihu h GLY 213 CO -0.38 0.23 0.60 0.00 0.00 0.00 0.00 176.54 176.99 3ihu h ALA 214 N 1.24 1.27 -0.11 3.60 0.00 -0.78 -2.43 119.26 122.04 3ihu h ALA 214 Ca 0.22 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3ihu h ALA 214 Cb -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3ihu h ALA 214 CO -0.08 0.41 -0.23 0.82 0.00 0.00 0.00 179.25 180.17 3ihu h ILE 215 N 1.12 1.38 -0.68 0.00 2.04 0.19 -3.08 117.51 118.49 3ihu h ILE 215 Ca 0.39 -1.52 0.12 0.00 1.00 0.00 0.00 64.86 64.86 3ihu h ILE 215 Cb 0.10 2.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 3ihu h ILE 215 CO -0.15 0.44 0.45 -0.07 0.00 0.00 0.00 178.15 178.82 3ihu h LEU 216 N -0.08 0.39 -0.62 1.44 3.38 -0.82 -0.83 115.31 118.17 3ihu h LEU 216 Ca 0.00 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3ihu h LEU 216 Cb 0.82 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3ihu h LEU 216 CO 0.05 0.22 -0.24 0.44 0.09 0.00 0.00 178.44 179.00 3ihu h ASP 217 N 0.42 0.00 0.00 -0.43 5.19 -1.35 -3.51 116.42 116.74 3ihu h ASP 217 Ca 0.32 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 3ihu h ASP 217 Cb 0.68 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.19 3ihu h ASP 217 CO -0.10 0.24 0.00 0.54 -3.12 0.00 0.00 179.24 176.81