#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oyl h GLN 11 N 0.00 0.17 -6.58 -0.52 5.75 -2.02 -3.41 115.11 108.51 1oyl h GLN 11 Ca 0.00 -0.09 -0.53 0.00 -0.15 0.00 0.00 58.65 57.88 1oyl h GLN 11 Cb 0.00 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.57 1oyl h GLN 11 CO 0.00 0.62 0.63 -0.51 -2.65 0.00 0.00 178.83 176.92 1oyl s ASP 12 N -5.92 6.96 0.25 -0.69 -0.00 -1.26 -4.92 116.67 111.09 1oyl s ASP 12 Ca -0.15 2.24 -0.04 0.00 -0.00 0.00 0.00 52.55 54.60 1oyl s ASP 12 Cb 0.03 -2.59 0.42 0.00 -0.00 0.00 0.00 42.92 40.78 1oyl s ASP 12 CO 0.71 -0.52 1.79 0.25 -0.00 0.00 0.00 175.17 177.40 1oyl h LEU 13 N 6.19 0.59 -0.86 1.23 5.85 -1.88 0.70 115.31 127.13 1oyl h LEU 13 Ca -0.43 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.41 1oyl h LEU 13 Cb 1.21 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 1oyl h LEU 13 CO 0.81 0.31 0.54 0.77 -0.34 0.00 0.00 178.44 180.53 1oyl h SER 14 N 0.70 0.86 0.50 1.25 4.64 -1.88 -0.38 113.55 119.24 1oyl h SER 14 Ca 0.40 0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.52 1oyl h SER 14 Cb 0.44 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1oyl h SER 14 CO -0.28 0.56 -0.92 -0.33 -0.87 0.00 0.00 176.83 174.99 1oyl h GLU 15 N 1.00 0.27 -0.51 4.77 4.39 -1.61 -2.92 114.58 119.97 1oyl h GLU 15 Ca 0.37 -0.30 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 1oyl h GLU 15 Cb 0.13 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1oyl h GLU 15 CO -0.16 1.02 -0.02 0.00 -1.16 0.00 0.00 179.01 178.69 1oyl h ALA 16 N 0.87 1.01 -0.35 3.43 0.00 -0.41 -1.79 119.26 122.02 1oyl h ALA 16 Ca -0.06 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1oyl h ALA 16 Cb 1.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1oyl h ALA 16 CO 0.15 0.61 -0.04 -0.07 0.00 0.00 0.00 179.25 179.90 1oyl h LEU 17 N 0.81 0.64 -0.28 0.00 3.38 -1.09 -0.45 115.31 118.31 1oyl h LEU 17 Ca 0.15 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1oyl h LEU 17 Cb 0.50 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1oyl h LEU 17 CO 0.03 0.82 0.11 0.50 0.09 0.00 0.00 178.44 179.99 1oyl h LYS 18 N 0.44 0.42 -0.55 1.13 3.64 -1.35 -1.65 116.57 118.66 1oyl h LYS 18 Ca 0.09 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1oyl h LYS 18 Cb 0.52 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1oyl h LYS 18 CO 0.03 0.45 0.01 1.49 -2.27 0.00 0.00 179.45 179.15 1oyl h GLU 19 N 0.30 0.96 -0.10 1.90 4.81 -1.31 -2.49 114.58 118.65 1oyl h GLU 19 Ca 0.09 -0.30 -0.06 0.00 -0.13 0.00 0.00 59.36 58.96 1oyl h GLU 19 Cb 0.18 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1oyl h GLU 19 CO -0.01 0.97 -0.22 0.00 -0.73 0.00 0.00 179.01 179.02 1oyl h ALA 20 N 0.96 1.46 -0.43 2.92 0.00 -0.95 -3.05 119.26 120.16 1oyl h ALA 20 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1oyl h ALA 20 Cb 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1oyl h ALA 20 CO 0.03 0.39 0.00 0.25 0.00 0.00 0.00 179.25 179.91 1oyl n THR 21 N -4.22 0.56 -0.28 0.00 -2.24 -0.63 -4.48 114.28 103.00 1oyl n THR 21 Ca -0.01 -0.76 0.01 0.00 -2.27 0.00 0.00 64.05 61.01 1oyl n THR 21 Cb 0.32 0.88 0.14 0.00 -2.10 0.00 0.00 70.33 69.57 1oyl n THR 21 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1oyl h LYS 22 N 4.37 0.79 0.74 -0.78 3.64 -1.33 -0.89 116.57 123.11 1oyl h LYS 22 Ca 0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1oyl h LYS 22 Cb 0.97 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1oyl h LYS 22 CO 0.00 0.52 -0.36 1.49 -2.27 0.00 0.00 179.45 178.83 1oyl h GLU 23 N 0.81 -0.96 0.00 1.90 4.81 -1.82 -2.74 114.58 116.58 1oyl h GLU 23 Ca 0.36 0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1oyl h GLU 23 Cb 0.24 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1oyl h GLU 23 CO -0.20 -0.64 -0.02 -0.39 -0.73 0.00 0.00 179.01 177.02 1oyl h VAL 24 N -1.07 0.49 -0.39 0.32 -1.51 -1.84 -1.42 116.25 110.82 1oyl h VAL 24 Ca -0.10 -0.10 -0.10 0.00 -1.23 0.00 0.00 66.70 65.17 1oyl h VAL 24 Cb 0.77 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 1oyl h VAL 24 CO 0.17 0.02 -0.15 -0.74 -1.23 0.00 0.00 177.57 175.64 1oyl h HIS 25 N 0.00 0.91 -0.69 5.19 -0.00 -1.09 -0.33 115.15 119.15 1oyl h HIS 25 Ca -0.00 -0.22 -0.04 0.00 -0.00 0.00 0.00 60.37 60.12 1oyl h HIS 25 Cb 0.06 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.23 1oyl h HIS 25 CO 0.00 0.96 0.28 1.15 -0.00 0.00 0.00 177.93 180.31 1oyl h THR 26 N 0.61 1.24 -0.52 6.26 2.02 -0.96 -0.81 112.91 120.74 1oyl h THR 26 Ca 0.09 -0.73 -0.07 0.00 0.77 0.00 0.00 66.41 66.47 1oyl h THR 26 Cb 0.70 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1oyl h THR 26 CO 0.05 0.30 0.04 1.56 0.37 0.00 0.00 175.52 177.84 1oyl h GLN 27 N 0.99 0.85 -0.44 6.66 4.20 -1.10 -1.00 115.11 125.28 1oyl h GLN 27 Ca 0.23 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1oyl h GLN 27 Cb 0.18 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1oyl h GLN 27 CO -0.02 0.83 0.04 0.00 -0.67 0.00 0.00 178.83 179.01 1oyl h ALA 28 N 1.24 0.58 -0.34 3.87 0.00 -0.28 -1.84 119.26 122.50 1oyl h ALA 28 Ca 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1oyl h ALA 28 Cb 0.43 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1oyl h ALA 28 CO 0.02 0.34 0.04 0.93 0.00 0.00 0.00 179.25 180.57 1oyl h GLU 29 N 0.60 0.51 -0.00 0.00 5.08 -0.86 -2.29 114.58 117.61 1oyl h GLU 29 Ca 0.13 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1oyl h GLU 29 Cb 0.43 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1oyl h GLU 29 CO 0.02 0.50 -0.07 0.09 -1.00 0.00 0.00 179.01 178.55 1oyl n ASN 30 N -4.32 0.20 -4.70 1.42 5.03 -0.41 -3.55 115.26 108.94 1oyl n ASN 30 Ca 0.02 -0.25 -0.43 0.00 0.87 0.00 0.00 54.58 54.78 1oyl n ASN 30 Cb 0.21 -0.20 -0.03 0.00 -1.02 0.00 0.00 39.78 38.74 1oyl n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1oyl n ALA 31 N -1.19 2.28 -0.31 5.41 0.00 -0.73 -4.72 120.51 121.25 1oyl n ALA 31 Ca 0.13 0.41 0.03 0.00 0.00 0.00 0.00 53.44 54.01 1oyl n ALA 31 Cb 0.27 -2.45 0.10 0.00 0.00 0.00 0.00 19.45 17.37 1oyl n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1oyl h GLU 32 N 6.23 -0.01 -0.20 0.00 4.81 -1.90 0.41 114.58 123.92 1oyl h GLU 32 Ca -0.44 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1oyl h GLU 32 Cb 1.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1oyl h GLU 32 CO 0.91 -0.01 0.07 0.35 -0.73 0.00 0.00 179.01 179.60 1oyl h PHE 33 N -0.01 0.32 -0.71 0.92 3.04 -1.89 -1.88 116.94 116.72 1oyl h PHE 33 Ca 0.40 -0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.26 1oyl h PHE 33 Cb 0.63 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 39.02 1oyl h PHE 33 CO -0.70 0.38 0.19 0.52 -2.02 0.00 0.00 178.31 176.68 1oyl h MET 34 N 0.16 1.13 0.00 1.11 2.86 -1.43 -0.02 114.93 118.73 1oyl h MET 34 Ca 0.07 -0.26 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 1oyl h MET 34 Cb 0.21 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1oyl h MET 34 CO -0.00 0.98 -0.20 -0.09 1.06 0.00 0.00 176.91 178.65 1oyl h ARG 35 N 1.07 0.00 0.11 1.72 2.43 -0.17 0.04 114.38 119.57 1oyl h ARG 35 Ca 0.23 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.09 1oyl h ARG 35 Cb 0.35 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1oyl h ARG 35 CO -0.00 0.20 -1.52 -0.91 -1.51 0.00 0.00 179.97 176.23 1oyl h ASN 36 N 0.00 0.35 0.23 -3.80 -0.26 -0.86 -3.18 115.58 108.06 1oyl h ASN 36 Ca -0.00 -0.49 -0.14 0.00 -0.56 0.00 0.00 56.30 55.10 1oyl h ASN 36 Cb 0.52 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.65 1oyl h ASN 36 CO 0.03 1.41 -0.55 0.15 -1.06 0.00 0.00 177.43 177.41 1oyl h PHE 37 N 0.06 0.43 0.00 1.19 3.57 -0.69 0.22 116.94 121.72 1oyl h PHE 37 Ca -0.24 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.08 1oyl h PHE 37 Cb 2.00 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.66 1oyl h PHE 37 CO 0.06 0.82 -0.14 0.37 -2.23 0.00 0.00 178.31 177.18 1oyl h GLN 38 N 0.26 0.00 -0.01 1.11 4.15 -1.10 -2.82 115.11 116.70 1oyl h GLN 38 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1oyl h GLN 38 Cb 1.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.74 1oyl h GLN 38 CO 0.09 0.14 -0.14 1.63 -1.93 0.00 0.00 178.83 178.62 1oyl n LYS 39 N -3.20 0.98 -0.40 1.69 5.02 -1.13 -4.90 118.16 116.21 1oyl n LYS 39 Ca 0.02 -0.49 0.00 0.00 -2.02 0.00 0.00 58.31 55.82 1oyl n LYS 39 Cb 0.47 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1oyl n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oyl n GLY 40 N 1.27 0.79 3.01 0.72 0.00 -1.07 -5.01 105.19 104.90 1oyl n GLY 40 Ca 0.15 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1oyl n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1oyl n GLN 41 N -2.40 3.93 -4.30 1.61 6.02 0.77 -4.74 117.38 118.27 1oyl n GLN 41 Ca 0.00 -4.55 -0.18 0.00 -0.01 0.00 0.00 57.00 52.26 1oyl n GLN 41 Cb 0.00 -2.48 -0.15 0.00 1.02 0.00 0.00 30.24 28.63 1oyl n GLN 41 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1oyl s VAL 42 N -2.37 0.62 0.41 5.09 0.11 -1.26 -4.02 120.40 118.97 1oyl s VAL 42 Ca 0.32 -0.33 0.06 0.00 -2.93 0.00 0.00 61.98 59.10 1oyl s VAL 42 Cb 0.02 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.36 1oyl s VAL 42 CO 0.04 0.18 0.56 0.42 -3.33 0.00 0.00 175.10 172.97 1oyl s THR 43 N -0.15 3.41 0.27 5.04 -4.23 -1.26 -4.76 115.64 113.95 1oyl s THR 43 Ca 0.03 -0.93 -0.01 0.00 -1.18 0.00 0.00 61.69 59.60 1oyl s THR 43 Cb -0.03 -3.18 0.10 0.00 1.34 0.00 0.00 72.50 70.73 1oyl s THR 43 CO -0.00 -0.08 1.75 0.03 -0.54 0.00 0.00 174.62 175.78 1oyl h ARG 44 N 0.65 0.71 -0.71 3.99 3.08 -1.95 0.19 114.38 120.34 1oyl h ARG 44 Ca -0.43 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.35 1oyl h ARG 44 Cb 1.27 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 1oyl h ARG 44 CO 0.49 0.76 0.16 -0.44 -1.07 0.00 0.00 179.97 179.87 1oyl h ASP 45 N 0.65 1.09 -0.36 7.04 3.32 -1.99 0.12 116.42 126.29 1oyl h ASP 45 Ca 0.12 -0.24 -0.16 0.00 0.02 0.00 0.00 57.03 56.77 1oyl h ASP 45 Cb 0.50 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1oyl h ASP 45 CO 0.03 1.05 -0.39 1.23 -1.72 0.00 0.00 179.24 179.43 1oyl h GLY 46 N 1.08 0.99 1.04 2.75 0.00 -1.86 -2.74 103.07 104.32 1oyl h GLY 46 Ca 0.22 -1.03 -0.06 0.00 0.00 0.00 0.00 47.33 46.46 1oyl h GLY 46 CO 0.01 0.93 0.18 -2.75 0.00 0.00 0.00 176.54 174.90 1oyl h PHE 47 N 0.71 1.11 -0.52 5.60 3.57 -0.71 -2.05 116.94 124.66 1oyl h PHE 47 Ca 0.05 -0.13 0.05 0.00 3.53 0.00 0.00 57.97 61.47 1oyl h PHE 47 Cb 0.99 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 1oyl h PHE 47 CO 0.07 0.91 0.26 0.87 -2.23 0.00 0.00 178.31 178.19 1oyl h LYS 48 N 0.99 0.49 -0.97 1.11 1.57 -0.91 0.27 116.57 119.13 1oyl h LYS 48 Ca 0.21 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1oyl h LYS 48 Cb 0.35 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 1oyl h LYS 48 CO -0.00 0.32 0.63 -0.07 -0.57 0.00 0.00 179.45 179.76 1oyl h LEU 49 N 0.50 1.13 -0.06 2.94 3.38 -1.17 -0.17 115.31 121.87 1oyl h LEU 49 Ca 0.23 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1oyl h LEU 49 Cb 0.15 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1oyl h LEU 49 CO -0.17 0.84 0.03 0.58 0.09 0.00 0.00 178.44 179.81 1oyl h VAL 50 N 1.33 1.12 -0.84 1.22 2.07 -0.57 -1.21 116.25 119.36 1oyl h VAL 50 Ca 0.35 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1oyl h VAL 50 Cb -0.12 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1oyl h VAL 50 CO -0.07 0.10 0.47 0.24 0.02 0.00 0.00 177.57 178.33 1oyl h MET 51 N -0.04 1.18 -0.63 1.57 2.86 -0.55 -0.19 114.93 119.12 1oyl h MET 51 Ca 0.02 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 1oyl h MET 51 Cb 0.14 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1oyl h MET 51 CO -0.00 0.86 0.27 0.00 1.06 0.00 0.00 176.91 179.10 1oyl h ALA 52 N 1.25 0.82 -0.22 6.32 0.00 -0.89 -1.06 119.26 125.48 1oyl h ALA 52 Ca 0.30 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1oyl h ALA 52 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1oyl h ALA 52 CO -0.05 0.42 0.11 0.77 0.00 0.00 0.00 179.25 180.51 1oyl h SER 53 N 0.88 0.18 -0.71 0.00 0.02 -0.62 -2.21 113.55 111.09 1oyl h SER 53 Ca 0.21 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1oyl h SER 53 Cb 0.18 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1oyl h SER 53 CO -0.02 0.13 0.45 -0.07 -1.14 0.00 0.00 176.83 176.19 1oyl h LEU 54 N 0.24 0.76 0.09 5.07 3.38 -0.74 -1.44 115.31 122.67 1oyl h LEU 54 Ca 0.09 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1oyl h LEU 54 Cb 0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1oyl h LEU 54 CO -0.05 0.53 -0.18 0.22 0.09 0.00 0.00 178.44 179.05 1oyl h TYR 55 N 0.90 -0.46 -0.88 1.13 3.20 -0.84 0.88 116.97 120.89 1oyl h TYR 55 Ca 0.28 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.16 1oyl h TYR 55 Cb -0.02 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 1oyl h TYR 55 CO -0.04 -0.26 0.59 0.45 -1.64 0.00 0.00 178.16 177.26 1oyl h HIS 56 N -0.34 1.11 -0.04 -3.82 3.86 -1.12 -0.52 115.15 114.29 1oyl h HIS 56 Ca 0.03 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1oyl h HIS 56 Cb 0.36 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 1oyl h HIS 56 CO -0.18 0.70 0.00 0.82 0.86 0.00 0.00 177.93 180.13 1oyl h ILE 57 N 1.20 1.22 -0.08 2.45 2.04 -0.95 -2.52 117.51 120.88 1oyl h ILE 57 Ca 0.32 -0.66 -0.10 0.00 1.00 0.00 0.00 64.86 65.42 1oyl h ILE 57 Cb -0.14 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1oyl h ILE 57 CO -0.07 0.18 -0.40 1.88 0.00 0.00 0.00 178.15 179.74 1oyl h TYR 58 N -0.20 0.19 -0.26 1.37 0.05 -0.69 -0.43 116.97 117.01 1oyl h TYR 58 Ca 0.01 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1oyl h TYR 58 Cb 0.28 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1oyl h TYR 58 CO 0.02 0.54 0.12 0.28 -1.05 0.00 0.00 178.16 178.07 1oyl h VAL 59 N 0.14 1.15 -0.17 -2.88 2.07 -1.05 0.13 116.25 115.63 1oyl h VAL 59 Ca 0.01 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1oyl h VAL 59 Cb 0.77 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1oyl h VAL 59 CO 0.06 0.15 0.03 0.00 0.02 0.00 0.00 177.57 177.83 1oyl h ALA 60 N 0.98 0.23 -0.14 1.67 0.00 -1.21 -0.88 119.26 119.90 1oyl h ALA 60 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1oyl h ALA 60 Cb 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1oyl h ALA 60 CO -0.01 -0.11 0.09 1.25 0.00 0.00 0.00 179.25 180.47 1oyl h LEU 61 N 0.07 0.15 -1.16 0.00 5.85 -0.96 -2.05 115.31 117.21 1oyl h LEU 61 Ca 0.05 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1oyl h LEU 61 Cb 0.30 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1oyl h LEU 61 CO 0.00 0.11 -0.25 -0.33 -0.34 0.00 0.00 178.44 177.63 1oyl h GLU 62 N 0.19 0.00 -0.31 1.25 5.08 -0.71 0.20 114.58 120.27 1oyl h GLU 62 Ca 0.05 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1oyl h GLU 62 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1oyl h GLU 62 CO -0.02 0.25 -0.06 0.93 -1.00 0.00 0.00 179.01 179.11 1oyl h GLU 63 N 0.00 0.58 -0.04 2.33 5.08 -0.83 -1.55 114.58 120.15 1oyl h GLU 63 Ca -0.00 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 58.01 1oyl h GLU 63 Cb 0.73 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1oyl h GLU 63 CO 0.03 0.76 -0.59 0.93 -1.00 0.00 0.00 179.01 179.14 1oyl h GLU 64 N 0.35 0.13 -0.45 2.33 4.39 -0.94 -2.12 114.58 118.28 1oyl h GLU 64 Ca 0.08 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1oyl h GLU 64 Cb 0.54 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1oyl h GLU 64 CO 0.03 0.68 -0.10 0.82 -1.16 0.00 0.00 179.01 179.28 1oyl h ILE 65 N 0.09 1.27 -0.35 3.13 2.04 -0.84 -1.95 117.51 120.90 1oyl h ILE 65 Ca -0.01 -1.21 -0.05 0.00 1.00 0.00 0.00 64.86 64.60 1oyl h ILE 65 Cb 1.07 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1oyl h ILE 65 CO 0.08 0.41 0.03 -0.33 0.00 0.00 0.00 178.15 178.34 1oyl h GLU 66 N 0.69 0.54 -0.34 2.37 4.39 -1.12 0.10 114.58 121.22 1oyl h GLU 66 Ca 0.11 -0.11 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 1oyl h GLU 66 Cb 0.64 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1oyl h GLU 66 CO 0.04 0.54 -0.24 -0.09 -1.16 0.00 0.00 179.01 178.11 1oyl h ARG 67 N 0.52 0.66 -0.38 2.33 2.43 -1.06 -3.26 114.38 115.62 1oyl h ARG 67 Ca 0.11 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1oyl h ARG 67 Cb 0.30 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1oyl h ARG 67 CO 0.01 0.84 0.00 0.09 -1.51 0.00 0.00 179.97 179.40 1oyl n ASN 68 N -4.11 3.57 0.30 -3.80 4.13 -0.76 -4.70 115.26 109.89 1oyl n ASN 68 Ca -0.00 -2.40 0.17 0.00 1.68 0.00 0.00 54.58 54.03 1oyl n ASN 68 Cb 0.42 -0.40 0.97 0.00 -1.54 0.00 0.00 39.78 39.24 1oyl n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1oyl h LYS 69 N 2.35 0.00 0.00 3.52 2.10 -0.85 -2.06 116.57 121.63 1oyl h LYS 69 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1oyl h LYS 69 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1oyl h LYS 69 CO 0.11 0.01 -0.88 0.39 -2.00 0.00 0.00 179.45 177.09 1oyl n GLU 70 N -3.61 0.30 -2.44 0.07 -0.58 -1.26 -3.79 120.64 109.34 1oyl n GLU 70 Ca -0.03 0.03 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 1oyl n GLU 70 Cb 0.10 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 29.30 1oyl n GLU 70 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1oyl s SER 71 N -4.10 6.87 0.19 1.62 0.15 -0.78 -4.80 113.70 112.87 1oyl s SER 71 Ca 0.04 2.22 0.17 0.00 0.70 0.00 0.00 55.95 59.08 1oyl s SER 71 Cb 0.14 -2.61 0.80 0.00 -1.71 0.00 0.00 66.02 62.64 1oyl s SER 71 CO 0.77 -0.42 1.51 -0.81 1.20 0.00 0.00 173.24 175.49 1oyl n PRO 72 N 0.44 0.11 0.06 5.44 -0.04 -1.26 -0.26 135.00 139.49 1oyl n PRO 72 Ca 0.02 0.50 0.13 0.00 -0.04 0.00 0.00 63.50 64.11 1oyl n PRO 72 Cb 0.47 -1.78 0.49 0.00 -0.04 0.00 0.00 33.50 32.64 1oyl n PRO 72 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1oyl n VAL 73 N -1.99 0.41 0.00 0.52 0.24 -1.26 -4.39 118.33 111.86 1oyl n VAL 73 Ca 0.00 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1oyl n VAL 73 Cb 0.10 -0.61 0.00 0.00 -1.47 0.00 0.00 33.84 31.86 1oyl n VAL 73 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1oyl n PHE 74 N -1.94 0.00 -0.34 6.34 7.35 -0.62 -4.75 117.46 123.49 1oyl n PHE 74 Ca 0.06 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.87 1oyl n PHE 74 Cb 0.37 0.00 0.25 0.00 0.35 0.00 0.00 39.48 40.45 1oyl n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1oyl h ALA 75 N 0.00 1.03 -0.06 3.13 0.00 -0.72 0.13 119.26 122.77 1oyl h ALA 75 Ca 0.00 0.35 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1oyl h ALA 75 Cb 0.03 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1oyl h ALA 75 CO 0.00 -0.52 0.08 -1.35 0.00 0.00 0.00 179.25 177.46 1oyl h PRO 76 N 0.01 0.00 -0.29 0.00 0.11 -1.83 -2.04 132.00 127.95 1oyl h PRO 76 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1oyl h PRO 76 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1oyl h PRO 76 CO -0.94 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.18 1oyl n VAL 77 N -3.63 2.12 -2.75 3.15 0.24 0.45 -4.78 118.33 113.13 1oyl n VAL 77 Ca -0.02 -1.72 -0.43 0.00 -2.04 0.00 0.00 64.34 60.14 1oyl n VAL 77 Cb 0.17 -0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.37 1oyl n VAL 77 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1oyl s TYR 78 N -2.54 2.91 -0.41 6.34 5.04 -0.77 -4.92 117.35 123.00 1oyl s TYR 78 Ca 0.40 0.53 0.08 0.00 -2.44 0.00 0.00 57.07 55.64 1oyl s TYR 78 Cb 0.31 -4.07 0.25 0.00 0.35 0.00 0.00 41.96 38.80 1oyl s TYR 78 CO 0.10 -1.12 0.53 1.19 -1.34 0.00 0.00 175.55 174.92 1oyl n PHE 79 N 7.32 -0.13 0.02 4.97 3.72 -1.26 -5.01 117.46 127.08 1oyl n PHE 79 Ca 0.08 -3.59 -0.10 0.00 -0.05 0.00 0.00 57.45 53.79 1oyl n PHE 79 Cb 0.49 -0.35 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 1oyl n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1oyl h PRO 80 N 4.06 -0.19 -0.57 -1.08 0.13 -1.97 -1.76 132.00 130.62 1oyl h PRO 80 Ca 0.08 0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.14 1oyl h PRO 80 Cb 0.87 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 1oyl h PRO 80 CO 0.48 -0.13 -0.00 0.93 -0.23 0.00 0.00 178.00 179.05 1oyl h GLU 81 N -0.20 0.99 -0.22 0.86 4.39 -1.95 -0.35 114.58 118.11 1oyl h GLU 81 Ca 0.07 -0.30 -0.20 0.00 0.34 0.00 0.00 59.36 59.27 1oyl h GLU 81 Cb 0.30 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1oyl h GLU 81 CO -0.19 0.98 -0.66 0.93 -1.16 0.00 0.00 179.01 178.91 1oyl h GLU 82 N 0.91 0.81 0.00 2.33 3.07 -1.82 -3.41 114.58 116.48 1oyl h GLU 82 Ca 0.16 -0.58 -0.21 0.00 -0.50 0.00 0.00 59.36 58.23 1oyl h GLU 82 Cb 0.54 0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.50 1oyl h GLU 82 CO 0.03 1.20 -1.90 1.28 -1.40 0.00 0.00 179.01 178.22 1oyl n LEU 83 N -3.97 0.00 -4.56 1.33 4.77 -0.67 -4.63 117.00 109.27 1oyl n LEU 83 Ca -0.06 0.00 -0.58 0.00 -0.03 0.00 0.00 56.01 55.34 1oyl n LEU 83 Cb 0.68 0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.98 1oyl n LEU 83 CO 0.51 0.29 0.75 0.00 -1.33 0.00 0.00 177.39 177.61 1oyl n HIS 84 N -2.44 1.04 0.19 -1.77 1.44 -0.14 -4.90 115.22 108.64 1oyl n HIS 84 Ca -0.19 0.95 0.02 0.00 -2.01 0.00 0.00 57.72 56.48 1oyl n HIS 84 Cb 0.87 -2.18 -0.03 0.00 0.12 0.00 0.00 29.99 28.77 1oyl n HIS 84 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1oyl n ARG 85 N 2.20 4.74 0.02 -1.40 5.12 -1.26 -4.79 116.66 121.29 1oyl n ARG 85 Ca 0.21 -0.01 -0.10 0.00 -1.93 0.00 0.00 57.85 56.03 1oyl n ARG 85 Cb 0.09 -0.77 -0.03 0.00 -1.16 0.00 0.00 32.46 30.58 1oyl n ARG 85 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1oyl h LYS 86 N 0.00 -0.24 -0.79 5.56 3.64 -1.90 -1.03 116.57 121.81 1oyl h LYS 86 Ca 0.00 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1oyl h LYS 86 Cb 0.13 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 1oyl h LYS 86 CO 0.00 -0.16 0.48 0.00 -2.27 0.00 0.00 179.45 177.50 1oyl h ALA 87 N 0.74 1.08 -0.73 5.00 0.00 -2.00 0.20 119.26 123.56 1oyl h ALA 87 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1oyl h ALA 87 Cb 0.37 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1oyl h ALA 87 CO -0.23 0.19 0.19 0.00 0.00 0.00 0.00 179.25 179.40 1oyl h ALA 88 N 1.39 0.97 -0.17 0.00 0.00 -1.77 -1.81 119.26 117.87 1oyl h ALA 88 Ca 0.35 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1oyl h ALA 88 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1oyl h ALA 88 CO -0.18 0.67 -0.40 -0.07 0.00 0.00 0.00 179.25 179.27 1oyl h LEU 89 N 1.10 0.39 -0.22 0.00 3.38 -0.48 -0.74 115.31 118.74 1oyl h LEU 89 Ca 0.23 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1oyl h LEU 89 Cb 0.35 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1oyl h LEU 89 CO -0.00 0.76 0.08 -0.33 0.09 0.00 0.00 178.44 179.03 1oyl h GLU 90 N 0.31 0.33 -0.29 1.13 5.08 -0.65 0.70 114.58 121.19 1oyl h GLU 90 Ca 0.03 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1oyl h GLU 90 Cb 0.84 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 1oyl h GLU 90 CO 0.07 0.41 0.01 1.96 -1.00 0.00 0.00 179.01 180.46 1oyl h GLN 91 N 0.18 0.10 -0.50 2.33 1.08 -1.08 -1.92 115.11 115.31 1oyl h GLN 91 Ca 0.07 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1oyl h GLN 91 Cb 0.21 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1oyl h GLN 91 CO -0.00 0.07 0.19 -0.44 -0.95 0.00 0.00 178.83 177.70 1oyl h ASP 92 N 0.10 0.69 -0.01 1.46 3.32 -0.87 -2.90 116.42 118.22 1oyl h ASP 92 Ca 0.14 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1oyl h ASP 92 Cb 0.18 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1oyl h ASP 92 CO -0.22 0.67 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.79 1oyl h LEU 93 N 0.66 0.25 -1.62 1.55 3.38 -0.64 -0.95 115.31 117.94 1oyl h LEU 93 Ca 0.17 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1oyl h LEU 93 Cb 0.20 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1oyl h LEU 93 CO -0.01 0.39 -0.13 0.00 0.09 0.00 0.00 178.44 178.78 1oyl h ALA 94 N 1.64 1.69 0.01 1.53 0.00 -1.14 0.22 119.26 123.21 1oyl h ALA 94 Ca 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1oyl h ALA 94 Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1oyl h ALA 94 CO 0.02 0.23 -0.22 0.35 0.00 0.00 0.00 179.25 179.63 1oyl h PHE 95 N 0.08 0.20 -0.13 0.00 3.57 -1.17 -0.77 116.94 118.72 1oyl h PHE 95 Ca 0.02 -0.12 -0.14 0.00 3.53 0.00 0.00 57.97 61.26 1oyl h PHE 95 Cb 0.28 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1oyl h PHE 95 CO 0.00 0.95 -0.52 -1.49 -2.23 0.00 0.00 178.31 175.02 1oyl h TRP 96 N -0.62 0.45 -0.00 0.41 4.06 -0.94 -3.35 115.95 115.97 1oyl h TRP 96 Ca -0.03 -0.15 0.00 0.00 2.06 0.00 0.00 58.89 60.77 1oyl h TRP 96 Cb 1.02 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 29.09 1oyl h TRP 96 CO 0.20 0.81 -0.12 0.66 -3.56 0.00 0.00 178.44 176.43 1oyl n TYR 97 N -3.95 0.00 -0.00 0.49 4.02 0.74 -5.08 117.16 113.38 1oyl n TYR 97 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1oyl n TYR 97 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 1oyl n TYR 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1oyl n GLY 98 N 0.97 -3.99 0.38 2.72 0.00 -0.29 -4.36 105.19 100.62 1oyl n GLY 98 Ca 0.01 -2.01 0.16 0.00 0.00 0.00 0.00 46.02 44.18 1oyl n GLY 98 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1oyl h PRO 99 N 0.00 0.50 -0.94 1.61 0.11 -1.91 -1.85 132.00 129.52 1oyl h PRO 99 Ca 0.00 -0.03 -0.40 0.00 0.11 0.00 0.00 66.00 65.68 1oyl h PRO 99 Cb 0.00 -0.11 -0.24 0.00 0.11 0.00 0.00 31.00 30.76 1oyl h PRO 99 CO 0.00 0.33 0.51 0.54 -0.21 0.00 0.00 178.00 179.17 1oyl n ARG 100 N -4.53 2.54 -0.27 1.05 1.74 -1.26 -4.66 116.66 111.27 1oyl n ARG 100 Ca 0.18 -2.79 0.06 0.00 -0.77 0.00 0.00 57.85 54.53 1oyl n ARG 100 Cb 0.58 -2.11 0.20 0.00 -1.02 0.00 0.00 32.46 30.11 1oyl n ARG 100 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1oyl h TRP 101 N 1.36 0.59 0.00 -1.55 5.08 -1.53 -1.26 115.95 118.64 1oyl h TRP 101 Ca 0.50 0.04 -0.00 0.00 1.08 0.00 0.00 58.89 60.50 1oyl h TRP 101 Cb 2.59 -0.14 -0.00 0.00 -3.00 0.00 0.00 29.16 28.61 1oyl h TRP 101 CO 1.40 0.09 -0.02 0.37 -1.28 0.00 0.00 178.44 179.00 1oyl h GLN 102 N 0.49 0.00 0.00 0.12 4.15 -1.86 0.37 115.11 118.38 1oyl h GLN 102 Ca 0.43 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.71 1oyl h GLN 102 Cb 0.66 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.32 1oyl h GLN 102 CO -0.40 0.02 -1.02 0.93 -1.93 0.00 0.00 178.83 176.43 1oyl h GLU 103 N 0.00 0.00 0.00 1.69 5.08 -1.61 -3.39 114.58 116.35 1oyl h GLU 103 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1oyl h GLU 103 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1oyl h GLU 103 CO 0.00 0.42 -1.00 1.33 -1.00 0.00 0.00 179.01 178.76 1oyl n VAL 104 N -3.05 0.00 -1.88 3.13 0.24 -0.69 -5.01 118.33 111.07 1oyl n VAL 104 Ca -0.04 -0.24 -0.38 0.00 -2.04 0.00 0.00 64.34 61.63 1oyl n VAL 104 Cb 0.80 0.68 0.03 0.00 -1.47 0.00 0.00 33.84 33.88 1oyl n VAL 104 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1oyl s ILE 105 N -2.48 2.29 0.59 1.34 -4.36 0.04 -4.97 121.20 113.64 1oyl s ILE 105 Ca 0.01 0.22 -0.16 0.00 -0.26 0.00 0.00 60.65 60.46 1oyl s ILE 105 Cb 0.09 -3.11 -0.04 0.00 1.25 0.00 0.00 42.46 40.65 1oyl s ILE 105 CO 0.53 -0.00 1.05 -2.16 0.24 0.00 0.00 174.94 174.59 1oyl s PRO 106 N -2.86 3.40 -0.34 0.37 0.04 -1.26 -5.04 135.00 129.31 1oyl s PRO 106 Ca 0.70 1.15 -0.00 0.00 0.04 0.00 0.00 61.00 62.88 1oyl s PRO 106 Cb -0.38 -2.05 0.13 0.00 0.04 0.00 0.00 34.50 32.25 1oyl s PRO 106 CO 0.45 -0.74 0.20 -0.47 0.04 0.00 0.00 177.00 176.48 1oyl s TYR 107 N -2.51 0.70 0.59 0.56 5.04 -1.26 -4.83 117.35 115.64 1oyl s TYR 107 Ca 0.63 -1.54 -0.06 0.00 -2.44 0.00 0.00 57.07 53.66 1oyl s TYR 107 Cb -0.15 -0.94 0.01 0.00 0.35 0.00 0.00 41.96 41.23 1oyl s TYR 107 CO 0.37 -0.83 0.90 0.95 -1.34 0.00 0.00 175.55 175.60 1oyl s THR 108 N 1.19 3.57 0.26 4.34 -4.23 -1.26 -4.89 115.64 114.63 1oyl s THR 108 Ca 0.17 -0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.63 1oyl s THR 108 Cb -0.22 -3.42 0.24 0.00 1.34 0.00 0.00 72.50 70.43 1oyl s THR 108 CO -0.04 -0.43 1.78 -0.65 -0.54 0.00 0.00 174.62 174.74 1oyl h PRO 109 N -0.19 0.67 -0.22 3.99 0.11 -2.01 -0.19 132.00 134.17 1oyl h PRO 109 Ca -0.45 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1oyl h PRO 109 Cb 1.26 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1oyl h PRO 109 CO 0.60 0.44 -0.36 0.00 -0.21 0.00 0.00 178.00 178.48 1oyl h ALA 110 N 1.53 0.98 -0.30 -0.75 0.00 -1.94 -0.51 119.26 118.26 1oyl h ALA 110 Ca 0.45 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1oyl h ALA 110 Cb 0.57 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1oyl h ALA 110 CO -0.32 0.61 0.00 0.52 0.00 0.00 0.00 179.25 180.06 1oyl h MET 111 N 0.40 0.53 -0.91 0.00 2.86 -1.69 -2.92 114.93 113.19 1oyl h MET 111 Ca 0.04 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1oyl h MET 111 Cb 0.82 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.38 1oyl h MET 111 CO 0.07 0.67 0.56 0.37 1.06 0.00 0.00 176.91 179.64 1oyl h GLN 112 N 0.33 1.23 -0.54 1.72 4.15 -0.73 -1.35 115.11 119.92 1oyl h GLN 112 Ca 0.09 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 1oyl h GLN 112 Cb 0.43 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 1oyl h GLN 112 CO 0.02 0.85 0.13 0.00 -1.93 0.00 0.00 178.83 177.90 1oyl h ARG 113 N 1.25 0.83 -0.02 1.69 3.08 -1.03 0.32 114.38 120.51 1oyl h ARG 113 Ca 0.33 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 1oyl h ARG 113 Cb -0.07 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 1oyl h ARG 113 CO -0.06 0.74 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.65 1oyl h TYR 114 N 0.80 0.04 -0.56 3.04 5.03 -1.26 -2.07 116.97 121.99 1oyl h TYR 114 Ca 0.18 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.52 1oyl h TYR 114 Cb 0.29 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.51 1oyl h TYR 114 CO 0.02 0.41 0.30 0.28 -1.32 0.00 0.00 178.16 177.85 1oyl h VAL 115 N -0.34 0.99 -0.36 1.81 2.07 -0.95 -1.40 116.25 118.07 1oyl h VAL 115 Ca 0.00 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1oyl h VAL 115 Cb 0.40 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1oyl h VAL 115 CO 0.00 0.11 0.21 0.50 0.02 0.00 0.00 177.57 178.41 1oyl h LYS 116 N 0.59 0.41 -0.56 1.57 3.64 -0.31 -1.77 116.57 120.13 1oyl h LYS 116 Ca 0.24 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 1oyl h LYS 116 Cb 0.12 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1oyl h LYS 116 CO -0.15 0.27 0.08 -0.09 -2.27 0.00 0.00 179.45 177.29 1oyl h ARG 117 N 0.42 0.91 -0.44 1.90 9.65 -1.01 -0.74 114.38 125.07 1oyl h ARG 117 Ca 0.14 -0.22 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1oyl h ARG 117 Cb 0.01 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.45 1oyl h ARG 117 CO -0.07 0.85 0.26 -0.07 2.80 0.00 0.00 179.97 183.75 1oyl h LEU 118 N 0.86 0.53 -0.79 3.80 3.38 -0.81 -0.49 115.31 121.78 1oyl h LEU 118 Ca 0.18 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1oyl h LEU 118 Cb 0.39 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1oyl h LEU 118 CO 0.01 0.42 -0.37 0.45 0.09 0.00 0.00 178.44 179.05 1oyl h HIS 119 N 0.58 0.56 -0.40 1.13 3.86 -1.08 -0.92 115.15 118.88 1oyl h HIS 119 Ca 0.16 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1oyl h HIS 119 Cb -0.00 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1oyl h HIS 119 CO -0.03 0.78 0.18 0.93 0.86 0.00 0.00 177.93 180.65 1oyl h GLU 120 N 0.40 0.59 0.35 2.45 5.08 -0.72 -0.92 114.58 121.82 1oyl h GLU 120 Ca 0.04 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1oyl h GLU 120 Cb 0.83 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1oyl h GLU 120 CO 0.07 0.53 -0.17 0.28 -1.00 0.00 0.00 179.01 178.72 1oyl h VAL 121 N 0.50 0.67 -0.46 3.13 2.07 -0.91 0.13 116.25 121.39 1oyl h VAL 121 Ca 0.14 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1oyl h VAL 121 Cb 0.15 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1oyl h VAL 121 CO -0.01 0.03 0.31 1.23 0.02 0.00 0.00 177.57 179.14 1oyl h GLY 122 N -0.54 0.48 0.64 2.17 0.00 -1.05 0.18 103.07 104.96 1oyl h GLY 122 Ca -0.05 -0.16 -0.34 0.00 0.00 0.00 0.00 47.33 46.79 1oyl h GLY 122 CO 0.08 0.13 -1.97 0.54 0.00 0.00 0.00 176.54 175.32 1oyl n ARG 123 N -4.48 0.68 -0.02 4.80 1.74 -0.36 -4.31 116.66 114.72 1oyl n ARG 123 Ca 0.06 0.23 0.01 0.00 -0.77 0.00 0.00 57.85 57.38 1oyl n ARG 123 Cb 0.23 -1.71 -0.07 0.00 -1.02 0.00 0.00 32.46 29.89 1oyl n ARG 123 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1oyl n THR 124 N -3.17 0.24 -3.01 0.55 -2.24 0.45 -4.82 114.28 102.28 1oyl n THR 124 Ca -0.27 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.08 1oyl n THR 124 Cb 1.06 -0.13 0.01 0.00 -2.10 0.00 0.00 70.33 69.17 1oyl n THR 124 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1oyl n GLU 125 N -2.03 0.92 0.22 -0.78 0.28 -0.10 -4.97 120.64 114.20 1oyl n GLU 125 Ca -0.07 -2.75 0.12 0.00 -0.16 0.00 0.00 57.16 54.31 1oyl n GLU 125 Cb 0.46 -1.40 0.67 0.00 1.43 0.00 0.00 31.44 32.59 1oyl n GLU 125 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1oyl h PRO 126 N 3.26 0.00 0.00 3.44 0.13 -0.92 -0.80 132.00 137.11 1oyl h PRO 126 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1oyl h PRO 126 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1oyl h PRO 126 CO 0.37 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.29 1oyl n GLU 127 N -2.44 0.10 0.00 0.86 0.00 -1.26 -1.62 120.64 116.27 1oyl n GLU 127 Ca -0.02 0.45 0.10 0.00 0.00 0.00 0.00 57.16 57.70 1oyl n GLU 127 Cb 0.18 -1.73 0.01 0.00 0.00 0.00 0.00 31.44 29.90 1oyl n GLU 127 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1oyl n LEU 128 N -1.92 2.11 -0.21 -1.84 4.77 -0.31 -4.47 117.00 115.14 1oyl n LEU 128 Ca 0.01 -0.80 0.05 0.00 -0.03 0.00 0.00 56.01 55.23 1oyl n LEU 128 Cb 0.12 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.52 1oyl n LEU 128 CO 0.12 0.39 1.23 0.25 -1.33 0.00 0.00 177.39 178.04 1oyl h LEU 129 N 2.67 0.75 -2.01 2.23 5.85 -1.47 -1.23 115.31 122.10 1oyl h LEU 129 Ca 0.00 -0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.88 1oyl h LEU 129 Cb 0.75 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1oyl h LEU 129 CO 0.00 0.50 0.42 1.62 -0.34 0.00 0.00 178.44 180.64 1oyl h VAL 130 N 0.86 0.64 -0.41 1.05 3.04 -1.78 0.16 116.25 119.81 1oyl h VAL 130 Ca 0.32 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.90 1oyl h VAL 130 Cb 0.17 0.70 -0.02 0.00 -2.01 0.00 0.00 31.29 30.13 1oyl h VAL 130 CO -0.10 0.00 -0.17 0.00 -1.01 0.00 0.00 177.57 176.29 1oyl h ALA 131 N 1.67 0.94 0.08 3.17 0.00 -1.51 -0.13 119.26 123.48 1oyl h ALA 131 Ca 0.26 -0.34 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 1oyl h ALA 131 Cb 1.10 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1oyl h ALA 131 CO -0.00 0.61 -1.11 0.45 0.00 0.00 0.00 179.25 179.20 1oyl h HIS 132 N 0.68 0.59 -0.49 0.00 -0.00 -0.84 -2.52 115.15 112.57 1oyl h HIS 132 Ca 0.11 -0.38 -0.10 0.00 -0.00 0.00 0.00 60.37 60.00 1oyl h HIS 132 Cb 0.66 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.01 1oyl h HIS 132 CO 0.03 1.24 -0.07 0.00 -0.00 0.00 0.00 177.93 179.13 1oyl h ALA 133 N 0.63 0.67 0.47 2.45 0.00 -1.07 -2.00 119.26 120.41 1oyl h ALA 133 Ca -0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1oyl h ALA 133 Cb 1.79 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1oyl h ALA 133 CO 0.19 0.54 -0.27 -0.92 0.00 0.00 0.00 179.25 178.80 1oyl h TYR 134 N 0.77 -0.70 -0.56 0.00 3.20 -1.04 0.30 116.97 118.94 1oyl h TYR 134 Ca 0.13 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.05 1oyl h TYR 134 Cb 0.62 0.24 -0.05 0.00 1.54 0.00 0.00 36.73 39.08 1oyl h TYR 134 CO 0.05 -0.42 0.28 1.15 -1.64 0.00 0.00 178.16 177.57 1oyl h THR 135 N -0.69 0.93 0.18 1.81 2.02 -1.42 -1.17 112.91 114.56 1oyl h THR 135 Ca -0.06 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1oyl h THR 135 Cb 0.56 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1oyl h THR 135 CO 0.07 0.10 -0.09 0.03 0.37 0.00 0.00 175.52 176.00 1oyl h ARG 136 N 0.53 -0.23 0.02 6.66 2.47 -1.31 -3.03 114.38 119.48 1oyl h ARG 136 Ca 0.25 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.99 1oyl h ARG 136 Cb 0.18 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1oyl h ARG 136 CO -0.19 0.00 -0.01 1.88 0.56 0.00 0.00 179.97 182.22 1oyl h TYR 137 N -1.02 -0.02 -0.12 3.04 0.05 -0.99 -0.07 116.97 117.85 1oyl h TYR 137 Ca -0.02 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.68 1oyl h TYR 137 Cb 0.34 0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 1oyl h TYR 137 CO 0.04 0.43 -0.28 -0.07 -1.05 0.00 0.00 178.16 177.23 1oyl h LEU 138 N -0.48 0.21 -0.42 3.88 3.38 -1.32 -1.71 115.31 118.85 1oyl h LEU 138 Ca -0.00 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1oyl h LEU 138 Cb 0.46 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1oyl h LEU 138 CO 0.00 0.50 0.09 1.23 0.09 0.00 0.00 178.44 180.35 1oyl h GLY 139 N 1.00 0.73 2.00 0.83 0.00 -1.48 -2.37 103.07 103.78 1oyl h GLY 139 Ca 0.03 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 1oyl h GLY 139 CO 0.04 0.44 -0.27 0.00 0.00 0.00 0.00 176.54 176.75 1oyl h ALA 140 N 0.94 1.44 -0.20 3.60 0.00 -0.63 -2.27 119.26 122.15 1oyl h ALA 140 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1oyl h ALA 140 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1oyl h ALA 140 CO 0.00 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.87 1oyl n LEU 141 N -4.05 1.61 -3.53 0.00 4.77 -0.68 -2.98 117.00 112.15 1oyl n LEU 141 Ca -0.02 -0.71 -0.27 0.00 -0.03 0.00 0.00 56.01 54.98 1oyl n LEU 141 Cb 0.34 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 1oyl n LEU 141 CO 0.36 0.36 -0.06 -1.20 -1.33 0.00 0.00 177.39 175.52 1oyl n SER 142 N 0.31 2.49 0.00 -1.43 7.64 -0.85 -4.73 113.62 117.04 1oyl n SER 142 Ca 0.15 -3.13 0.00 0.00 1.01 0.00 0.00 58.87 56.89 1oyl n SER 142 Cb 0.30 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1oyl n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1oyl n GLY 143 N 1.50 1.17 0.21 0.23 0.00 -1.26 -4.94 105.19 102.09 1oyl n GLY 143 Ca 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.23 1oyl n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1oyl h GLY 144 N 0.00 0.40 1.84 -0.02 0.00 -1.77 -2.54 103.07 100.99 1oyl h GLY 144 Ca 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 1oyl h GLY 144 CO 0.00 0.36 -0.42 1.46 0.00 0.00 0.00 176.54 177.94 1oyl h GLN 145 N 0.30 0.17 -0.30 4.80 1.08 -1.85 -0.20 115.11 119.12 1oyl h GLN 145 Ca 0.02 -0.08 -0.10 0.00 -1.45 0.00 0.00 58.65 57.04 1oyl h GLN 145 Cb 0.88 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.31 1oyl h GLN 145 CO 0.07 0.57 -0.21 0.28 -0.95 0.00 0.00 178.83 178.59 1oyl h VAL 146 N 0.15 1.30 -0.30 -0.54 2.07 -1.92 -2.50 116.25 114.50 1oyl h VAL 146 Ca 0.01 -1.35 -0.11 0.00 0.82 0.00 0.00 66.70 66.08 1oyl h VAL 146 Cb 0.81 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1oyl h VAL 146 CO 0.06 0.43 -0.25 -0.07 0.02 0.00 0.00 177.57 177.76 1oyl h LEU 147 N 0.41 0.60 0.10 2.57 3.38 -1.21 -2.16 115.31 119.01 1oyl h LEU 147 Ca 0.06 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1oyl h LEU 147 Cb 0.76 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1oyl h LEU 147 CO 0.06 0.84 -0.09 0.50 0.09 0.00 0.00 178.44 179.83 1oyl h LYS 148 N 0.52 -0.20 -0.78 1.13 3.64 -0.92 0.30 116.57 120.26 1oyl h LYS 148 Ca 0.07 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1oyl h LYS 148 Cb 0.71 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 1oyl h LYS 148 CO 0.05 -0.13 0.47 0.87 -2.27 0.00 0.00 179.45 178.44 1oyl h LYS 149 N -0.21 1.06 -0.61 1.90 1.57 -1.36 0.12 116.57 119.04 1oyl h LYS 149 Ca 0.00 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1oyl h LYS 149 Cb 0.20 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1oyl h LYS 149 CO -0.02 0.75 0.32 0.82 -0.57 0.00 0.00 179.45 180.75 1oyl h ILE 150 N 1.07 1.20 -0.29 1.86 2.04 -1.05 -2.14 117.51 120.20 1oyl h ILE 150 Ca 0.28 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1oyl h ILE 150 Cb -0.03 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1oyl h ILE 150 CO -0.05 0.23 0.15 0.00 0.00 0.00 0.00 178.15 178.48 1oyl h ALA 151 N 1.14 0.37 -0.76 1.87 0.00 0.31 -2.04 119.26 120.14 1oyl h ALA 151 Ca 0.21 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1oyl h ALA 151 Cb 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1oyl h ALA 151 CO -0.03 -0.09 0.44 1.96 0.00 0.00 0.00 179.25 181.53 1oyl h GLN 152 N 0.34 0.77 -0.37 0.00 4.20 -0.52 0.50 115.11 120.03 1oyl h GLN 152 Ca 0.10 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.63 1oyl h GLN 152 Cb 0.08 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1oyl h GLN 152 CO -0.01 0.51 -0.28 -0.22 -0.67 0.00 0.00 178.83 178.16 1oyl h LYS 153 N 0.80 0.85 0.01 1.46 3.64 -1.21 -2.80 116.57 119.31 1oyl h LYS 153 Ca 0.35 -0.41 -0.20 0.00 -1.27 0.00 0.00 60.65 59.11 1oyl h LYS 153 Cb 0.23 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1oyl h LYS 153 CO -0.20 1.05 -0.89 0.00 -2.27 0.00 0.00 179.45 177.15 1oyl h ALA 154 N 0.78 0.50 0.02 5.00 0.00 -1.06 -3.34 119.26 121.16 1oyl h ALA 154 Ca 0.07 -0.74 -0.24 0.00 0.00 0.00 0.00 54.91 54.00 1oyl h ALA 154 Cb 0.86 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1oyl h ALA 154 CO 0.07 0.93 -1.23 -0.07 0.00 0.00 0.00 179.25 178.96 1oyl h LEU 155 N 0.10 0.06 -2.62 0.00 3.38 -0.97 -3.48 115.31 111.78 1oyl h LEU 155 Ca -0.04 -0.08 -0.45 0.00 0.09 0.00 0.00 57.88 57.39 1oyl h LEU 155 Cb 1.53 -0.02 0.04 0.00 0.09 0.00 0.00 40.66 42.30 1oyl h LEU 155 CO 0.14 1.06 -0.91 0.47 0.09 0.00 0.00 178.44 179.29 1oyl n ASP 156 N -3.30 -3.17 -4.72 -0.43 10.43 -1.06 -4.92 116.55 109.39 1oyl n ASP 156 Ca -0.06 -0.99 -0.32 0.00 2.57 0.00 0.00 54.79 55.99 1oyl n ASP 156 Cb 0.98 -3.35 0.12 0.00 1.84 0.00 0.00 41.12 40.72 1oyl n ASP 156 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1oyl s LEU 157 N -6.66 3.04 0.86 0.64 1.43 -1.26 -5.01 118.68 111.71 1oyl s LEU 157 Ca 0.26 2.11 -0.12 0.00 -1.03 0.00 0.00 54.13 55.36 1oyl s LEU 157 Cb -0.09 -4.56 0.11 0.00 0.03 0.00 0.00 46.19 41.67 1oyl s LEU 157 CO 0.86 -2.53 1.10 -2.16 0.23 0.00 0.00 176.35 173.85 1oyl s PRO 158 N -4.52 1.57 -0.66 1.29 0.04 -1.26 -4.89 135.00 126.56 1oyl s PRO 158 Ca 0.67 0.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.36 1oyl s PRO 158 Cb -0.22 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1oyl s PRO 158 CO 0.54 -2.00 2.99 -1.13 0.04 0.00 0.00 177.00 177.44 1oyl n SER 159 N -3.70 6.75 -1.09 6.66 3.41 -1.26 -4.44 113.62 119.95 1oyl n SER 159 Ca 0.07 -2.87 0.10 0.00 -0.26 0.00 0.00 58.87 55.91 1oyl n SER 159 Cb 0.56 -1.37 0.24 0.00 -0.26 0.00 0.00 64.21 63.39 1oyl n SER 159 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1oyl n SER 160 N 1.96 3.49 -2.50 4.04 3.41 -1.26 -5.00 113.62 117.77 1oyl n SER 160 Ca 0.54 -1.97 -0.20 0.00 -0.26 0.00 0.00 58.87 56.98 1oyl n SER 160 Cb 0.56 -0.35 0.01 0.00 -0.26 0.00 0.00 64.21 64.17 1oyl n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oyl n GLY 161 N 1.29 -0.44 3.36 5.00 0.00 -1.26 -5.00 105.19 108.13 1oyl n GLY 161 Ca 0.19 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 1oyl n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oyl s GLU 162 N -5.26 1.21 0.00 1.61 2.02 -1.26 -4.97 118.70 112.05 1oyl s GLU 162 Ca 0.12 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 53.90 1oyl s GLU 162 Cb -0.05 0.38 0.00 0.00 0.10 0.00 0.00 34.13 34.56 1oyl s GLU 162 CO 0.15 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.39 1oyl n GLY 163 N -0.24 2.75 0.50 -1.39 0.00 -1.26 -4.92 105.19 100.62 1oyl n GLY 163 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.01 1oyl n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oyl n LEU 164 N 0.00 1.44 0.06 0.99 4.77 -1.26 -4.81 117.00 118.19 1oyl n LEU 164 Ca 0.00 -2.37 0.07 0.00 -0.03 0.00 0.00 56.01 53.68 1oyl n LEU 164 Cb 0.00 -0.24 0.51 0.00 -2.33 0.00 0.00 43.42 41.36 1oyl n LEU 164 CO 0.00 0.64 1.14 0.00 -1.33 0.00 0.00 177.39 177.84 1oyl h ALA 165 N 0.30 1.88 -0.82 -1.18 0.00 -1.91 -2.22 119.26 115.31 1oyl h ALA 165 Ca -0.03 -0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.08 1oyl h ALA 165 Cb 1.26 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1oyl h ALA 165 CO 0.01 0.07 0.58 0.35 0.00 0.00 0.00 179.25 180.27 1oyl h PHE 166 N 0.34 0.17 -0.01 0.00 3.57 -1.88 -0.53 116.94 118.60 1oyl h PHE 166 Ca 0.13 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1oyl h PHE 166 Cb 0.11 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1oyl h PHE 166 CO -0.00 0.04 0.00 1.19 -2.23 0.00 0.00 178.31 177.31 1oyl n PHE 167 N -4.36 0.01 -4.87 0.41 3.72 -0.83 -4.75 117.46 106.79 1oyl n PHE 167 Ca 0.17 -0.01 -0.30 0.00 -0.05 0.00 0.00 57.45 57.27 1oyl n PHE 167 Cb 0.81 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 39.18 1oyl n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1oyl s THR 168 N -1.99 1.72 -0.77 4.37 2.01 -0.21 -4.75 115.64 116.03 1oyl s THR 168 Ca 0.39 -0.81 -0.10 0.00 0.31 0.00 0.00 61.69 61.48 1oyl s THR 168 Cb 0.18 -1.52 0.20 0.00 0.01 0.00 0.00 72.50 71.37 1oyl s THR 168 CO 0.31 0.49 0.67 -0.36 -0.69 0.00 0.00 174.62 175.03 1oyl s PHE 169 N 0.59 3.66 0.58 4.92 0.40 -1.26 -4.93 117.98 121.92 1oyl s PHE 169 Ca -0.14 -2.27 0.29 0.00 -0.60 0.00 0.00 56.93 54.20 1oyl s PHE 169 Cb -0.17 -3.60 1.78 0.00 0.51 0.00 0.00 43.02 41.54 1oyl s PHE 169 CO 0.05 -0.93 2.24 -1.00 0.70 0.00 0.00 175.22 176.28 1oyl h PRO 170 N 7.46 0.00 -0.54 0.24 0.13 -1.93 -2.52 132.00 134.84 1oyl h PRO 170 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1oyl h PRO 170 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1oyl h PRO 170 CO 0.74 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.61 1oyl n ASN 171 N -3.87 2.78 -3.93 1.44 5.03 -1.26 -4.63 115.26 110.82 1oyl n ASN 171 Ca -0.03 -2.19 -0.30 0.00 0.87 0.00 0.00 54.58 52.93 1oyl n ASN 171 Cb 0.09 -0.40 -0.15 0.00 -1.02 0.00 0.00 39.78 38.30 1oyl n ASN 171 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1oyl s ILE 172 N -1.64 1.58 0.17 2.41 1.01 -0.95 -4.68 121.20 119.11 1oyl s ILE 172 Ca 0.29 -1.45 -0.08 0.00 0.00 0.00 0.00 60.65 59.41 1oyl s ILE 172 Cb 0.18 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1oyl s ILE 172 CO 0.16 -0.27 1.52 0.00 0.00 0.00 0.00 174.94 176.35 1oyl h ALA 173 N 7.91 0.68 -3.25 9.38 0.00 -1.83 -3.43 119.26 128.72 1oyl h ALA 173 Ca -0.15 -0.44 -0.47 0.00 0.00 0.00 0.00 54.91 53.85 1oyl h ALA 173 Cb 1.05 -0.12 -0.38 0.00 0.00 0.00 0.00 17.79 18.34 1oyl h ALA 173 CO 0.44 0.67 -0.77 0.45 0.00 0.00 0.00 179.25 180.04 1oyl s SER 174 N -6.83 2.03 0.23 0.00 0.15 -1.26 -5.02 113.70 103.00 1oyl s SER 174 Ca -0.10 -0.31 -0.07 0.00 0.70 0.00 0.00 55.95 56.17 1oyl s SER 174 Cb 0.12 -0.55 0.20 0.00 -1.71 0.00 0.00 66.02 64.07 1oyl s SER 174 CO 0.86 -0.21 1.81 0.00 1.20 0.00 0.00 173.24 176.91 1oyl h ALA 175 N 8.28 1.10 -0.03 5.45 0.00 -1.94 -1.56 119.26 130.56 1oyl h ALA 175 Ca -0.20 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1oyl h ALA 175 Cb 1.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1oyl h ALA 175 CO 0.30 0.66 -0.02 1.15 0.00 0.00 0.00 179.25 181.35 1oyl h THR 176 N 1.19 0.95 -0.17 0.00 2.02 -1.95 -1.33 112.91 113.60 1oyl h THR 176 Ca 0.28 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.36 1oyl h THR 176 Cb 0.15 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1oyl h THR 176 CO -0.03 0.00 -0.32 0.11 0.37 0.00 0.00 175.52 175.64 1oyl h LYS 177 N -0.02 0.34 -0.29 6.66 1.57 -1.95 -2.67 116.57 120.21 1oyl h LYS 177 Ca 0.02 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 1oyl h LYS 177 Cb 0.04 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1oyl h LYS 177 CO -0.04 0.63 -0.28 0.35 -0.57 0.00 0.00 179.45 179.54 1oyl h PHE 178 N 0.30 0.84 -0.34 -1.35 3.57 -1.11 -2.85 116.94 116.00 1oyl h PHE 178 Ca 0.04 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1oyl h PHE 178 Cb 0.72 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1oyl h PHE 178 CO 0.02 0.99 0.22 0.87 -2.23 0.00 0.00 178.31 178.18 1oyl h LYS 179 N 0.45 0.44 -0.52 1.11 1.57 -1.13 0.79 116.57 119.28 1oyl h LYS 179 Ca 0.05 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1oyl h LYS 179 Cb 0.85 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1oyl h LYS 179 CO 0.07 0.30 0.14 1.96 -0.57 0.00 0.00 179.45 181.34 1oyl h GLN 180 N 0.46 0.83 -0.37 3.15 4.20 -1.31 -0.23 115.11 121.84 1oyl h GLN 180 Ca 0.12 -0.19 -0.13 0.00 0.06 0.00 0.00 58.65 58.50 1oyl h GLN 180 Cb -0.04 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1oyl h GLN 180 CO -0.03 0.79 -0.29 1.25 -0.67 0.00 0.00 178.83 179.88 1oyl h LEU 181 N 0.73 0.89 -0.29 1.46 5.85 -1.08 -2.39 115.31 120.48 1oyl h LEU 181 Ca 0.17 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1oyl h LEU 181 Cb 0.32 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1oyl h LEU 181 CO -0.00 1.15 0.12 0.22 -0.34 0.00 0.00 178.44 179.59 1oyl h TYR 182 N 0.64 0.43 -0.60 1.25 3.20 -0.70 -0.58 116.97 120.61 1oyl h TYR 182 Ca 0.07 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1oyl h TYR 182 Cb 0.87 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.98 1oyl h TYR 182 CO 0.06 0.42 0.26 0.00 -1.64 0.00 0.00 178.16 177.26 1oyl h ARG 183 N 0.32 0.86 -0.44 1.82 3.08 -1.05 0.37 114.38 119.34 1oyl h ARG 183 Ca 0.10 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1oyl h ARG 183 Cb 0.16 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1oyl h ARG 183 CO -0.01 0.69 0.16 1.03 -1.07 0.00 0.00 179.97 180.77 1oyl h SER 184 N 0.86 0.63 -0.31 7.04 0.87 -1.05 -1.30 113.55 120.28 1oyl h SER 184 Ca 0.21 -0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 1oyl h SER 184 Cb 0.13 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 1oyl h SER 184 CO -0.02 0.64 -0.04 0.03 -0.53 0.00 0.00 176.83 176.90 1oyl h ARG 185 N 0.58 0.68 -0.62 2.24 2.47 -0.47 -2.54 114.38 116.72 1oyl h ARG 185 Ca 0.15 -0.19 -0.08 0.00 -1.26 0.00 0.00 59.98 58.60 1oyl h ARG 185 Cb 0.22 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 1oyl h ARG 185 CO -0.01 0.73 0.07 0.52 0.56 0.00 0.00 179.97 181.84 1oyl h MET 186 N 0.64 1.04 0.00 0.04 2.86 -0.60 -2.58 114.93 116.33 1oyl h MET 186 Ca 0.12 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1oyl h MET 186 Cb 0.46 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1oyl h MET 186 CO 0.02 0.98 0.00 0.09 1.06 0.00 0.00 176.91 179.06 1oyl n ASN 187 N -4.20 0.57 0.02 1.22 3.02 -0.52 -2.32 115.26 113.04 1oyl n ASN 187 Ca 0.04 0.62 0.12 0.00 -0.03 0.00 0.00 54.58 55.33 1oyl n ASN 187 Cb 0.31 -0.75 0.28 0.00 -0.61 0.00 0.00 39.78 39.01 1oyl n ASN 187 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1oyl n SER 188 N -2.10 0.48 -4.74 6.41 3.41 -0.98 -4.89 113.62 111.21 1oyl n SER 188 Ca 0.03 -0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1oyl n SER 188 Cb 0.26 0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 1oyl n SER 188 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1oyl s LEU 189 N -3.34 4.35 -0.22 1.04 2.96 -0.98 -4.97 118.68 117.52 1oyl s LEU 189 Ca 0.10 2.92 -0.11 0.00 -0.22 0.00 0.00 54.13 56.82 1oyl s LEU 189 Cb 0.17 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.18 1oyl s LEU 189 CO 0.68 -0.92 0.19 -1.61 -1.32 0.00 0.00 176.35 173.37 1oyl s GLU 190 N -0.14 4.13 -0.06 1.98 0.41 -1.26 -5.07 118.70 118.69 1oyl s GLU 190 Ca 0.66 -0.17 -0.29 0.00 -0.41 0.00 0.00 54.97 54.76 1oyl s GLU 190 Cb -0.48 -3.50 0.06 0.00 -1.78 0.00 0.00 34.13 28.44 1oyl s GLU 190 CO 0.44 0.13 0.64 0.00 -0.49 0.00 0.00 175.26 175.99 1oyl s MET 191 N 0.84 1.00 0.80 1.61 0.23 -1.26 -4.92 119.30 117.59 1oyl s MET 191 Ca 0.10 0.27 -0.11 0.00 -1.03 0.00 0.00 55.69 54.92 1oyl s MET 191 Cb -0.13 0.47 0.07 0.00 -1.53 0.00 0.00 34.83 33.71 1oyl s MET 191 CO 0.03 -0.29 1.09 0.95 -2.03 0.00 0.00 175.02 174.76 1oyl s THR 192 N -1.07 3.23 0.36 3.16 -4.23 -1.26 -4.79 115.64 111.04 1oyl s THR 192 Ca -0.10 0.40 0.06 0.00 -1.18 0.00 0.00 61.69 60.87 1oyl s THR 192 Cb -0.01 -2.94 0.30 0.00 1.34 0.00 0.00 72.50 71.19 1oyl s THR 192 CO 0.09 -0.52 1.94 -0.65 -0.54 0.00 0.00 174.62 174.94 1oyl h PRO 193 N -1.18 0.73 -0.27 3.99 0.11 -2.02 -1.10 132.00 132.26 1oyl h PRO 193 Ca -0.45 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1oyl h PRO 193 Cb 1.24 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1oyl h PRO 193 CO 0.54 0.48 0.11 0.00 -0.21 0.00 0.00 178.00 178.92 1oyl h ALA 194 N 1.60 0.36 -0.38 -0.75 0.00 -2.00 -1.90 119.26 116.19 1oyl h ALA 194 Ca 0.33 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1oyl h ALA 194 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1oyl h ALA 194 CO -0.12 -0.04 0.00 0.28 0.00 0.00 0.00 179.25 179.37 1oyl h VAL 195 N 0.29 1.26 -0.94 0.00 2.07 -1.81 -2.81 116.25 114.31 1oyl h VAL 195 Ca 0.09 -0.99 0.10 0.00 0.82 0.00 0.00 66.70 66.72 1oyl h VAL 195 Cb 0.19 1.16 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 1oyl h VAL 195 CO -0.01 0.33 0.58 -0.09 0.02 0.00 0.00 177.57 178.40 1oyl h ARG 196 N 0.48 0.93 -0.82 1.57 2.43 -1.10 0.80 114.38 118.67 1oyl h ARG 196 Ca 0.11 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1oyl h ARG 196 Cb 0.46 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 1oyl h ARG 196 CO 0.02 0.62 0.40 0.37 -1.51 0.00 0.00 179.97 179.87 1oyl h GLN 197 N 0.96 1.19 0.00 0.20 5.75 -1.14 -1.85 115.11 120.21 1oyl h GLN 197 Ca 0.45 -0.17 -0.11 0.00 -0.15 0.00 0.00 58.65 58.66 1oyl h GLN 197 Cb 0.37 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1oyl h GLN 197 CO -0.24 0.91 -0.53 0.00 -2.65 0.00 0.00 178.83 176.32 1oyl h ARG 198 N 1.17 0.00 -0.46 1.69 3.08 -0.92 -1.41 114.38 117.53 1oyl h ARG 198 Ca 0.28 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.28 1oyl h ARG 198 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1oyl h ARG 198 CO -0.04 0.53 0.08 0.28 -1.07 0.00 0.00 179.97 179.75 1oyl h VAL 199 N 0.00 1.24 -0.59 2.04 2.07 -0.33 0.25 116.25 120.93 1oyl h VAL 199 Ca -0.01 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 1oyl h VAL 199 Cb 0.95 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1oyl h VAL 199 CO 0.07 0.31 0.17 0.40 0.02 0.00 0.00 177.57 178.54 1oyl h ILE 200 N 0.63 1.25 -0.63 4.57 1.08 -1.14 -2.08 117.51 121.18 1oyl h ILE 200 Ca 0.14 -0.85 -0.05 0.00 -0.39 0.00 0.00 64.86 63.71 1oyl h ILE 200 Cb 0.37 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 1oyl h ILE 200 CO 0.01 0.32 0.19 -0.08 -0.69 0.00 0.00 178.15 177.90 1oyl h GLU 201 N 0.85 0.96 -0.10 2.37 4.57 -0.87 -2.57 114.58 119.79 1oyl h GLU 201 Ca 0.19 -0.19 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1oyl h GLU 201 Cb 0.31 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1oyl h GLU 201 CO -0.00 0.83 -0.30 1.49 -1.18 0.00 0.00 179.01 179.85 1oyl h GLU 202 N 0.93 0.18 -0.50 1.92 4.57 -0.12 -2.04 114.58 119.52 1oyl h GLU 202 Ca 0.21 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 1oyl h GLU 202 Cb 0.28 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1oyl h GLU 202 CO -0.01 0.46 0.16 0.00 -1.18 0.00 0.00 179.01 178.44 1oyl h ALA 203 N 1.54 0.65 -0.69 2.92 0.00 -0.97 0.44 119.26 123.15 1oyl h ALA 203 Ca 0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1oyl h ALA 203 Cb 0.61 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1oyl h ALA 203 CO 0.04 0.30 0.18 0.87 0.00 0.00 0.00 179.25 180.65 1oyl h LYS 204 N 0.67 1.09 -0.71 0.00 1.57 -1.38 -2.19 116.57 115.62 1oyl h LYS 204 Ca 0.16 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1oyl h LYS 204 Cb 0.27 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1oyl h LYS 204 CO -0.01 0.96 0.45 1.15 -0.57 0.00 0.00 179.45 181.43 1oyl h THR 205 N 1.04 1.19 -0.42 -0.16 2.02 -0.92 -0.62 112.91 115.04 1oyl h THR 205 Ca 0.22 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 67.06 1oyl h THR 205 Cb 0.35 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 1oyl h THR 205 CO -0.00 0.19 0.17 0.00 0.37 0.00 0.00 175.52 176.25 1oyl h ALA 206 N 1.24 0.51 -0.43 6.16 0.00 -0.44 0.25 119.26 126.55 1oyl h ALA 206 Ca 0.26 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1oyl h ALA 206 Cb -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1oyl h ALA 206 CO -0.05 -0.21 0.20 0.74 0.00 0.00 0.00 179.25 179.93 1oyl h PHE 207 N 0.35 0.62 -0.52 0.00 0.04 -0.81 -2.31 116.94 114.31 1oyl h PHE 207 Ca 0.19 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 1oyl h PHE 207 Cb 0.15 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 1oyl h PHE 207 CO -0.13 0.51 0.28 -0.07 -0.60 0.00 0.00 178.31 178.30 1oyl h LEU 208 N 0.55 0.64 -1.12 1.54 3.38 -0.57 0.83 115.31 120.57 1oyl h LEU 208 Ca 0.15 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1oyl h LEU 208 Cb 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1oyl h LEU 208 CO -0.02 0.52 -0.11 -0.07 0.09 0.00 0.00 178.44 178.86 1oyl h LEU 209 N 0.73 0.47 -0.23 1.67 3.38 -0.58 0.18 115.31 120.93 1oyl h LEU 209 Ca 0.19 -0.12 -0.21 0.00 0.09 0.00 0.00 57.88 57.83 1oyl h LEU 209 Cb 0.03 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.66 1oyl h LEU 209 CO -0.03 0.62 -0.69 0.78 0.09 0.00 0.00 178.44 179.21 1oyl h ASN 210 N 0.46 0.94 -0.38 -0.43 2.35 -0.63 -1.97 115.58 115.92 1oyl h ASN 210 Ca 0.09 -0.57 -0.02 0.00 -0.55 0.00 0.00 56.30 55.25 1oyl h ASN 210 Cb 0.46 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1oyl h ASN 210 CO 0.03 1.37 0.16 0.40 -1.65 0.00 0.00 177.43 177.73 1oyl h ILE 211 N 0.58 1.19 -0.28 2.81 2.04 -0.50 -0.50 117.51 122.86 1oyl h ILE 211 Ca -0.03 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 1oyl h ILE 211 Cb 1.30 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1oyl h ILE 211 CO 0.14 0.21 0.04 1.56 0.00 0.00 0.00 178.15 180.11 1oyl h GLN 212 N 0.47 0.40 -0.24 2.37 4.20 -0.94 -0.85 115.11 120.52 1oyl h GLN 212 Ca 0.13 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 1oyl h GLN 212 Cb 0.18 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1oyl h GLN 212 CO -0.01 0.40 -0.09 1.25 -0.67 0.00 0.00 178.83 179.71 1oyl h LEU 213 N 0.40 0.49 -1.05 1.46 5.85 -0.82 -1.86 115.31 119.77 1oyl h LEU 213 Ca 0.09 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 1oyl h LEU 213 Cb 0.20 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1oyl h LEU 213 CO -0.00 0.77 0.43 -0.26 -0.34 0.00 0.00 178.44 179.04 1oyl h PHE 214 N 0.20 1.08 -0.53 1.25 0.04 -0.46 -0.52 116.94 118.00 1oyl h PHE 214 Ca 0.06 -0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.72 1oyl h PHE 214 Cb 0.57 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 1oyl h PHE 214 CO 0.06 0.75 -0.02 0.93 -0.60 0.00 0.00 178.31 179.42 1oyl h GLU 215 N 1.11 0.92 -0.20 1.51 5.08 -1.05 -1.46 114.58 120.47 1oyl h GLU 215 Ca 0.28 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1oyl h GLU 215 Cb 0.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1oyl h GLU 215 CO -0.05 0.92 -0.03 1.49 -1.00 0.00 0.00 179.01 180.34 1oyl h GLU 216 N 0.84 0.38 -0.85 2.33 4.81 -0.72 -2.26 114.58 119.12 1oyl h GLU 216 Ca 0.15 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1oyl h GLU 216 Cb 0.53 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 1oyl h GLU 216 CO 0.03 0.62 0.56 -0.07 -0.73 0.00 0.00 179.01 179.41 1oyl h LEU 217 N 0.11 0.95 -0.84 1.64 3.38 -0.96 -0.11 115.31 119.47 1oyl h LEU 217 Ca 0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1oyl h LEU 217 Cb 0.47 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1oyl h LEU 217 CO 0.02 0.67 0.45 -0.61 0.09 0.00 0.00 178.44 179.06 1oyl h GLN 218 N 1.12 1.18 -0.50 1.13 5.75 -1.19 -1.30 115.11 121.30 1oyl h GLN 218 Ca 0.32 -0.15 -0.13 0.00 -0.15 0.00 0.00 58.65 58.55 1oyl h GLN 218 Cb -0.07 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.24 1oyl h GLN 218 CO -0.09 0.88 -0.19 1.49 -2.65 0.00 0.00 178.83 178.27 1oyl h GLU 219 N 1.18 1.01 0.00 1.69 4.57 -0.75 -1.77 114.58 120.51 1oyl h GLU 219 Ca 0.29 -0.42 -0.05 0.00 -1.18 0.00 0.00 59.36 58.00 1oyl h GLU 219 Cb 0.05 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1oyl h GLU 219 CO -0.04 1.10 -0.26 -0.07 -1.18 0.00 0.00 179.01 178.55 1oyl h LEU 220 N 0.88 0.00 0.00 1.64 3.38 -0.60 -2.14 115.31 118.46 1oyl h LEU 220 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1oyl h LEU 220 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1oyl h LEU 220 CO 0.06 0.26 -0.94 0.18 0.09 0.00 0.00 178.44 178.10 1oyl n LEU 221 N -4.18 0.78 -0.07 1.67 4.77 -0.53 -4.64 117.00 114.80 1oyl n LEU 221 Ca -0.02 0.27 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 1oyl n LEU 221 Cb 0.32 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1oyl n LEU 221 CO 0.37 -0.13 -0.78 0.35 -1.33 0.00 0.00 177.39 175.86 1oyl n THR 222 N -2.48 1.27 -0.75 -5.08 -2.24 -0.68 -5.09 114.28 99.23 1oyl n THR 222 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1oyl n THR 222 Cb 0.51 -1.97 0.00 0.00 -2.10 0.00 0.00 70.33 66.78 1oyl n THR 222 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91