#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1osf n GLN 10 N 0.00 1.10 -1.82 -0.67 1.13 -1.26 -5.11 117.38 110.76 1osf n GLN 10 Ca 0.00 -3.61 -0.41 0.00 -1.94 0.00 0.00 57.00 51.03 1osf n GLN 10 Cb 0.00 -1.58 -0.02 0.00 0.11 0.00 0.00 30.24 28.75 1osf n GLN 10 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1osf s PRO 11 N -1.29 4.14 0.31 -1.09 0.04 -1.26 -4.91 135.00 130.95 1osf s PRO 11 Ca 0.35 2.53 -0.29 0.00 0.04 0.00 0.00 61.00 63.63 1osf s PRO 11 Cb 0.13 -3.03 -0.11 0.00 0.04 0.00 0.00 34.50 31.54 1osf s PRO 11 CO -0.11 -0.59 1.44 1.41 0.04 0.00 0.00 177.00 179.20 1osf s MET 12 N -0.65 4.22 0.27 4.56 1.75 -1.26 -5.01 119.30 123.19 1osf s MET 12 Ca 0.62 2.40 -0.01 0.00 -1.25 0.00 0.00 55.69 57.44 1osf s MET 12 Cb -0.47 -3.05 -0.04 0.00 2.84 0.00 0.00 34.83 34.11 1osf s MET 12 CO 0.49 -0.43 0.48 -1.21 -0.65 0.00 0.00 175.02 173.70 1osf s GLU 13 N -1.20 3.53 -0.01 4.11 0.41 -1.26 -5.11 118.70 119.17 1osf s GLU 13 Ca 0.56 -0.28 0.03 0.00 -0.41 0.00 0.00 54.97 54.87 1osf s GLU 13 Cb -0.44 -2.74 -0.01 0.00 -1.78 0.00 0.00 34.13 29.17 1osf s GLU 13 CO 0.52 0.28 -0.10 -2.00 -0.49 0.00 0.00 175.26 173.46 1osf s GLU 14 N -3.73 0.89 -0.03 1.61 2.12 -1.26 -5.14 118.70 113.17 1osf s GLU 14 Ca 0.40 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 55.37 1osf s GLU 14 Cb -0.10 -0.85 0.02 0.00 0.26 0.00 0.00 34.13 33.45 1osf s GLU 14 CO 0.31 0.20 -0.02 -1.21 -0.54 0.00 0.00 175.26 174.01 1osf s GLU 15 N -0.15 0.42 -0.04 4.30 2.02 -1.26 -5.13 118.70 118.86 1osf s GLU 15 Ca 0.03 -0.02 -0.18 0.00 0.02 0.00 0.00 54.97 54.82 1osf s GLU 15 Cb -0.05 -0.51 -0.05 0.00 0.10 0.00 0.00 34.13 33.62 1osf s GLU 15 CO -0.00 -0.06 0.50 -1.21 0.02 0.00 0.00 175.26 174.50 1osf s GLU 16 N 0.70 4.21 -0.11 1.61 2.02 -1.26 -5.06 118.70 120.81 1osf s GLU 16 Ca -0.08 0.54 0.01 0.00 0.02 0.00 0.00 54.97 55.46 1osf s GLU 16 Cb -0.11 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.77 1osf s GLU 16 CO -0.01 0.41 -0.12 0.08 0.02 0.00 0.00 175.26 175.63 1osf s VAL 17 N -0.22 3.16 -0.12 2.63 1.01 -1.26 -4.62 120.40 120.97 1osf s VAL 17 Ca 0.27 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1osf s VAL 17 Cb -0.17 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1osf s VAL 17 CO 0.14 0.54 -0.02 -1.61 0.00 0.00 0.00 175.10 174.15 1osf s GLU 18 N 0.01 3.32 -0.10 2.72 2.02 -0.74 -4.98 118.70 120.94 1osf s GLU 18 Ca -0.03 -0.47 0.03 0.00 0.02 0.00 0.00 54.97 54.51 1osf s GLU 18 Cb -0.14 -2.85 -0.01 0.00 0.10 0.00 0.00 34.13 31.23 1osf s GLU 18 CO 0.04 0.47 -0.19 0.99 0.02 0.00 0.00 175.26 176.58 1osf s THR 19 N -0.25 2.49 0.17 3.63 2.01 -1.26 -1.23 115.64 121.20 1osf s THR 19 Ca 0.05 -0.88 0.09 0.00 0.31 0.00 0.00 61.69 61.26 1osf s THR 19 Cb -0.13 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 1osf s THR 19 CO 0.02 0.55 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.96 1osf s PHE 20 N 0.22 1.84 -0.06 4.92 0.40 -0.30 -4.98 117.98 120.02 1osf s PHE 20 Ca -0.12 -0.47 -0.13 0.00 -0.60 0.00 0.00 56.93 55.61 1osf s PHE 20 Cb -0.16 -0.91 -0.05 0.00 0.51 0.00 0.00 43.02 42.41 1osf s PHE 20 CO 0.07 0.35 0.32 0.00 0.70 0.00 0.00 175.22 176.66 1osf s ALA 21 N -2.12 3.72 0.44 5.36 0.00 -1.26 -1.47 121.76 126.43 1osf s ALA 21 Ca 0.17 -0.37 -0.24 0.00 0.00 0.00 0.00 51.96 51.51 1osf s ALA 21 Cb -0.05 -2.29 -0.08 0.00 0.00 0.00 0.00 23.12 20.70 1osf s ALA 21 CO 0.07 0.43 1.24 -0.06 0.00 0.00 0.00 175.76 177.44 1osf s PHE 22 N -0.72 2.83 0.50 0.00 0.08 -0.60 -4.53 117.98 115.55 1osf s PHE 22 Ca 0.20 1.48 -0.22 0.00 0.12 0.00 0.00 56.93 58.51 1osf s PHE 22 Cb -0.15 -3.54 -0.08 0.00 -0.57 0.00 0.00 43.02 38.69 1osf s PHE 22 CO 0.09 -1.83 1.06 0.94 -0.10 0.00 0.00 175.22 175.38 1osf n GLN 23 N -0.20 1.30 -0.28 0.44 0.00 0.30 -4.60 117.38 114.34 1osf n GLN 23 Ca 0.06 0.48 -0.01 0.00 -0.00 0.00 0.00 57.00 57.53 1osf n GLN 23 Cb 0.46 -2.20 0.06 0.00 0.00 0.00 0.00 30.24 28.56 1osf n GLN 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1osf h ALA 24 N 1.20 0.26 -0.18 1.69 0.00 -1.92 -0.72 119.26 119.59 1osf h ALA 24 Ca -0.47 0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1osf h ALA 24 Cb 1.34 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 1osf h ALA 24 CO 0.55 -0.54 -0.36 0.93 0.00 0.00 0.00 179.25 179.82 1osf h GLU 25 N -0.06 0.39 -0.58 0.00 3.07 -1.99 -1.74 114.58 113.68 1osf h GLU 25 Ca 0.33 -0.18 -0.11 0.00 -0.50 0.00 0.00 59.36 58.90 1osf h GLU 25 Cb 0.58 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 1osf h GLU 25 CO -0.82 0.70 -0.06 0.82 -1.40 0.00 0.00 179.01 178.25 1osf h ILE 26 N 0.33 1.27 -0.72 3.13 2.04 -1.58 0.35 117.51 122.33 1osf h ILE 26 Ca 0.04 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 1osf h ILE 26 Cb 0.79 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1osf h ILE 26 CO 0.06 0.44 0.40 0.00 0.00 0.00 0.00 178.15 179.05 1osf h ALA 27 N 0.96 0.93 -0.38 1.87 0.00 -0.95 0.32 119.26 122.00 1osf h ALA 27 Ca 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1osf h ALA 27 Cb 0.63 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1osf h ALA 27 CO 0.04 0.44 0.23 0.37 0.00 0.00 0.00 179.25 180.34 1osf h GLN 28 N 1.00 0.52 -0.51 0.00 4.15 -0.90 -1.41 115.11 117.95 1osf h GLN 28 Ca 0.25 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.61 1osf h GLN 28 Cb 0.04 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1osf h GLN 28 CO -0.04 0.38 0.25 1.25 -1.93 0.00 0.00 178.83 178.74 1osf h LEU 29 N 0.50 0.66 -0.84 -2.39 5.85 -0.45 -1.49 115.31 117.14 1osf h LEU 29 Ca 0.14 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1osf h LEU 29 Cb -0.00 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1osf h LEU 29 CO -0.03 0.60 0.50 0.24 -0.34 0.00 0.00 178.44 179.41 1osf h MET 30 N 0.68 1.15 -0.50 1.25 2.86 -0.69 0.73 114.93 120.42 1osf h MET 30 Ca 0.17 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1osf h MET 30 Cb 0.11 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1osf h MET 30 CO -0.02 0.82 0.28 0.77 1.06 0.00 0.00 176.91 179.82 1osf h SER 31 N 1.16 0.61 -0.39 1.22 0.02 -0.92 0.24 113.55 115.49 1osf h SER 31 Ca 0.30 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1osf h SER 31 Cb -0.03 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1osf h SER 31 CO -0.05 0.52 0.18 0.25 -1.14 0.00 0.00 176.83 176.58 1osf h LEU 32 N 0.66 0.51 -0.09 5.07 6.46 -0.70 -2.60 115.31 124.61 1osf h LEU 32 Ca 0.18 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1osf h LEU 32 Cb 0.03 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 39.83 1osf h LEU 32 CO -0.03 0.51 -0.02 0.40 -0.62 0.00 0.00 178.44 178.68 1osf h ILE 33 N 0.48 1.29 0.00 4.05 2.04 -0.54 -1.07 117.51 123.75 1osf h ILE 33 Ca 0.13 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 1osf h ILE 33 Cb 0.14 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1osf h ILE 33 CO -0.01 0.26 -0.14 -0.29 0.00 0.00 0.00 178.15 177.97 1osf h ILE 34 N -0.15 0.72 0.00 -0.67 6.09 -0.55 -3.02 117.51 119.94 1osf h ILE 34 Ca 0.02 -0.57 0.00 0.00 -1.37 0.00 0.00 64.86 62.95 1osf h ILE 34 Cb 0.42 1.34 0.00 0.00 0.47 0.00 0.00 36.82 39.05 1osf h ILE 34 CO 0.01 0.14 -1.29 0.59 -3.07 0.00 0.00 178.15 174.53 1osf n ASN 35 N -3.82 0.72 -4.75 2.19 3.02 -0.98 -4.94 115.26 106.69 1osf n ASN 35 Ca -0.02 -0.63 -0.39 0.00 -0.03 0.00 0.00 54.58 53.51 1osf n ASN 35 Cb 0.24 1.33 0.03 0.00 -0.61 0.00 0.00 39.78 40.77 1osf n ASN 35 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1osf n THR 36 N -1.73 3.45 0.46 3.41 5.66 -0.41 -4.91 114.28 120.20 1osf n THR 36 Ca 0.01 -0.50 0.09 0.00 -3.05 0.00 0.00 64.05 60.60 1osf n THR 36 Cb 0.39 -1.75 0.24 0.00 -1.55 0.00 0.00 70.33 67.65 1osf n THR 36 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1osf n PHE 37 N -0.71 0.62 -1.26 1.09 0.99 -1.26 -4.99 117.46 111.95 1osf n PHE 37 Ca 0.08 -0.31 -0.48 0.00 -0.00 0.00 0.00 57.45 56.74 1osf n PHE 37 Cb 0.43 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.86 1osf n PHE 37 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 1osf n TYR 38 N 0.96 0.33 1.07 1.38 9.36 -1.26 -4.86 117.16 124.14 1osf n TYR 38 Ca 0.17 0.88 0.11 0.00 3.32 0.00 0.00 57.90 62.39 1osf n TYR 38 Cb 0.43 -1.75 0.34 0.00 -0.63 0.00 0.00 39.34 37.73 1osf n TYR 38 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1osf n SER 39 N 1.37 2.06 -2.53 2.98 3.41 -1.26 -4.25 113.62 115.41 1osf n SER 39 Ca 0.17 -1.76 -0.22 0.00 -0.26 0.00 0.00 58.87 56.80 1osf n SER 39 Cb 0.10 -0.12 0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1osf n SER 39 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1osf n ASN 40 N 0.59 3.79 0.31 4.04 5.15 -1.26 -4.87 115.26 123.01 1osf n ASN 40 Ca 0.17 -3.43 0.19 0.00 -0.60 0.00 0.00 54.58 50.91 1osf n ASN 40 Cb 0.40 -0.48 1.04 0.00 -0.53 0.00 0.00 39.78 40.21 1osf n ASN 40 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1osf h LYS 41 N 2.69 0.00 0.00 1.20 1.57 -1.96 -3.10 116.57 116.97 1osf h LYS 41 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1osf h LYS 41 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1osf h LYS 41 CO 0.75 0.02 0.12 1.05 -0.57 0.00 0.00 179.45 180.81 1osf h GLU 42 N 0.00 0.00 0.00 3.15 4.11 -1.96 -2.29 114.58 117.59 1osf h GLU 42 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1osf h GLU 42 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1osf h GLU 42 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 179.01 179.52 1osf n ILE 43 N -2.41 0.43 -0.36 -1.06 -6.64 -1.17 -2.91 119.36 105.24 1osf n ILE 43 Ca -0.02 0.11 -0.03 0.00 -1.77 0.00 0.00 62.75 61.04 1osf n ILE 43 Cb 0.15 -0.84 0.10 0.00 -1.44 0.00 0.00 39.64 37.62 1osf n ILE 43 CO 0.00 0.00 0.00 2.19 -1.77 0.00 0.00 176.55 176.97 1osf h PHE 44 N 0.00 1.25 -0.41 4.28 -5.15 -1.69 -2.52 116.94 112.70 1osf h PHE 44 Ca 0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 1osf h PHE 44 Cb 0.13 -0.41 -0.02 0.00 0.22 0.00 0.00 35.95 35.86 1osf h PHE 44 CO 0.00 0.82 0.21 1.25 -2.00 0.00 0.00 178.31 178.59 1osf h LEU 45 N 1.32 0.53 -0.98 2.10 6.46 -1.81 -1.58 115.31 121.36 1osf h LEU 45 Ca 0.35 -0.11 0.06 0.00 -0.12 0.00 0.00 57.88 58.06 1osf h LEU 45 Cb -0.08 -0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 39.65 1osf h LEU 45 CO -0.07 0.49 0.63 -0.09 -0.62 0.00 0.00 178.44 178.78 1osf h ARG 46 N 0.53 1.11 -0.29 1.25 2.43 -1.67 0.12 114.38 117.85 1osf h ARG 46 Ca 0.14 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1osf h ARG 46 Cb 0.09 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1osf h ARG 46 CO -0.02 0.73 0.03 0.93 -1.51 0.00 0.00 179.97 180.13 1osf h GLU 47 N 1.14 0.49 -0.34 0.20 4.39 -1.03 -0.61 114.58 118.82 1osf h GLU 47 Ca 0.42 -0.14 -0.11 0.00 0.34 0.00 0.00 59.36 59.87 1osf h GLU 47 Cb 0.17 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1osf h GLU 47 CO -0.17 0.62 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.97 1osf h LEU 48 N 0.30 0.70 -0.58 1.33 3.38 -0.81 -1.33 115.31 118.30 1osf h LEU 48 Ca 0.09 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 1osf h LEU 48 Cb 0.37 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1osf h LEU 48 CO 0.01 0.92 -0.05 0.40 0.09 0.00 0.00 178.44 179.81 1osf h ILE 49 N 0.60 1.27 -0.42 1.22 2.04 -0.67 -1.70 117.51 119.85 1osf h ILE 49 Ca 0.08 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 1osf h ILE 49 Cb 0.74 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1osf h ILE 49 CO 0.06 0.44 0.03 0.28 0.00 0.00 0.00 178.15 178.95 1osf h SER 50 N 0.96 0.62 -0.50 1.72 0.02 -0.85 -0.80 113.55 114.71 1osf h SER 50 Ca 0.16 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1osf h SER 50 Cb 0.62 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1osf h SER 50 CO 0.04 0.67 0.14 0.78 -1.14 0.00 0.00 176.83 177.32 1osf h ASN 51 N 0.63 0.75 -0.85 3.07 2.35 -0.83 -1.42 115.58 119.28 1osf h ASN 51 Ca 0.13 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1osf h ASN 51 Cb 0.35 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 1osf h ASN 51 CO 0.01 0.77 0.41 0.28 -1.65 0.00 0.00 177.43 177.25 1osf h SER 52 N 0.69 1.11 -0.78 5.81 0.02 -0.85 -1.26 113.55 118.29 1osf h SER 52 Ca 0.16 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1osf h SER 52 Cb 0.30 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1osf h SER 52 CO -0.00 0.94 0.39 -1.28 -1.14 0.00 0.00 176.83 175.73 1osf h SER 53 N 1.21 1.01 -0.65 3.07 0.87 -0.76 0.18 113.55 118.49 1osf h SER 53 Ca 0.29 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 1osf h SER 53 Cb 0.12 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 1osf h SER 53 CO -0.04 0.85 0.16 -0.78 -0.53 0.00 0.00 176.83 176.49 1osf h ASP 54 N 1.11 0.99 -0.08 6.23 3.58 -0.62 0.97 116.42 128.60 1osf h ASP 54 Ca 0.27 -0.23 -0.10 0.00 0.42 0.00 0.00 57.03 57.39 1osf h ASP 54 Cb 0.09 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 1osf h ASP 54 CO -0.04 0.96 -0.24 0.00 -2.88 0.00 0.00 179.24 177.05 1osf h ALA 55 N 1.06 1.09 -0.27 -0.78 0.00 -0.52 -1.84 119.26 118.00 1osf h ALA 55 Ca 0.20 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 1osf h ALA 55 Cb 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1osf h ALA 55 CO 0.00 0.56 -0.54 -0.07 0.00 0.00 0.00 179.25 179.21 1osf h LEU 56 N 0.45 0.94 -1.17 0.00 3.38 -0.26 -1.04 115.31 117.61 1osf h LEU 56 Ca 0.07 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.53 1osf h LEU 56 Cb 0.66 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1osf h LEU 56 CO 0.05 1.30 0.57 0.44 0.09 0.00 0.00 178.44 180.89 1osf h ASP 57 N 0.61 0.93 -0.34 -0.43 3.32 -0.54 -1.17 116.42 118.79 1osf h ASP 57 Ca 0.01 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1osf h ASP 57 Cb 1.15 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1osf h ASP 57 CO 0.12 0.64 -0.38 0.11 -1.72 0.00 0.00 179.24 178.00 1osf h LYS 58 N 1.07 0.90 -0.02 3.56 1.57 -1.15 -0.28 116.57 122.23 1osf h LYS 58 Ca 0.34 -0.47 -0.16 0.00 -1.87 0.00 0.00 60.65 58.49 1osf h LYS 58 Cb 0.02 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1osf h LYS 58 CO -0.10 1.12 -0.72 0.97 -0.57 0.00 0.00 179.45 180.15 1osf h ILE 59 N 0.73 1.46 -0.58 1.86 6.09 -1.20 -2.09 117.51 123.78 1osf h ILE 59 Ca 0.06 -2.31 -0.05 0.00 -1.37 0.00 0.00 64.86 61.19 1osf h ILE 59 Cb 0.97 2.24 -0.02 0.00 0.47 0.00 0.00 36.82 40.47 1osf h ILE 59 CO 0.09 0.67 0.16 -0.09 -3.07 0.00 0.00 178.15 175.92 1osf h ARG 60 N 0.10 0.91 -0.65 2.19 2.43 -1.09 -1.04 114.38 117.23 1osf h ARG 60 Ca -0.02 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1osf h ARG 60 Cb 1.28 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 1osf h ARG 60 CO 0.11 0.83 0.38 -0.92 -1.51 0.00 0.00 179.97 178.86 1osf h TYR 61 N 0.82 0.86 -0.24 2.20 3.20 -0.84 -2.23 116.97 120.74 1osf h TYR 61 Ca 0.18 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 1osf h TYR 61 Cb 0.32 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1osf h TYR 61 CO 0.02 0.59 -0.22 0.93 -1.64 0.00 0.00 178.16 177.84 1osf h GLU 62 N 0.88 0.45 0.00 1.82 5.08 -1.03 -2.54 114.58 119.24 1osf h GLU 62 Ca 0.23 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1osf h GLU 62 Cb -0.01 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1osf h GLU 62 CO -0.04 0.65 -0.07 0.66 -1.00 0.00 0.00 179.01 179.21 1osf h SER 63 N 0.40 0.00 -0.17 1.42 4.64 -0.62 -0.15 113.55 119.07 1osf h SER 63 Ca 0.06 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1osf h SER 63 Cb 0.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1osf h SER 63 CO 0.04 0.07 0.11 -0.07 -0.87 0.00 0.00 176.83 176.11 1osf h LEU 64 N 0.00 0.18 0.00 5.97 3.38 -1.01 -3.13 115.31 120.70 1osf h LEU 64 Ca -0.00 -0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 1osf h LEU 64 Cb 0.36 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1osf h LEU 64 CO 0.01 0.13 -2.11 0.41 0.09 0.00 0.00 178.44 176.97 1osf n THR 65 N -4.51 1.11 -3.86 0.22 -1.04 -0.84 -4.86 114.28 100.50 1osf n THR 65 Ca -0.00 -0.41 -0.30 0.00 -2.04 0.00 0.00 64.05 61.30 1osf n THR 65 Cb 0.09 -1.24 -0.14 0.00 -1.82 0.00 0.00 70.33 67.22 1osf n THR 65 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1osf s ASP 66 N -5.97 4.09 0.54 8.00 -1.08 -0.13 -4.97 116.67 117.15 1osf s ASP 66 Ca -0.26 -2.73 0.24 0.00 -0.52 0.00 0.00 52.55 49.28 1osf s ASP 66 Cb 0.07 -1.38 1.42 0.00 -1.46 0.00 0.00 42.92 41.57 1osf s ASP 66 CO 0.44 -0.27 2.03 -0.65 0.52 0.00 0.00 175.17 177.24 1osf h PRO 67 N 6.75 0.00 0.00 4.34 0.11 -1.79 -2.10 132.00 139.31 1osf h PRO 67 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1osf h PRO 67 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1osf h PRO 67 CO 0.59 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.04 1osf h SER 68 N 0.00 0.00 0.46 -2.05 4.64 -1.93 -1.73 113.55 112.94 1osf h SER 68 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1osf h SER 68 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1osf h SER 68 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1osf n LYS 69 N -2.58 0.14 0.00 4.77 4.76 -0.79 -1.57 118.16 122.89 1osf n LYS 69 Ca -0.01 0.15 0.12 0.00 -2.87 0.00 0.00 58.31 55.71 1osf n LYS 69 Cb 0.12 -1.50 0.16 0.00 -1.84 0.00 0.00 35.03 31.97 1osf n LYS 69 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1osf n LEU 70 N -1.39 2.48 0.21 -0.35 4.77 -0.65 -4.25 117.00 117.82 1osf n LEU 70 Ca 0.07 -0.84 0.13 0.00 -0.03 0.00 0.00 56.01 55.34 1osf n LEU 70 Cb 0.17 -0.01 0.74 0.00 -2.33 0.00 0.00 43.42 41.99 1osf n LEU 70 CO 0.15 0.42 1.11 0.44 -1.33 0.00 0.00 177.39 178.19 1osf h ASP 71 N 3.72 0.00 -0.11 -1.43 3.32 -1.44 0.63 116.42 121.11 1osf h ASP 71 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1osf h ASP 71 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1osf h ASP 71 CO 0.00 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.98 1osf n SER 72 N -4.25 0.74 0.00 6.45 3.41 -1.26 -4.74 113.62 113.98 1osf n SER 72 Ca 0.00 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1osf n SER 72 Cb 0.22 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1osf n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1osf n GLY 73 N 0.60 1.71 0.13 5.00 0.00 0.19 -3.72 105.19 109.10 1osf n GLY 73 Ca 0.04 0.18 0.01 0.00 0.00 0.00 0.00 46.02 46.24 1osf n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1osf h LYS 74 N 0.00 0.00 -6.03 1.61 1.57 -1.78 -3.44 116.57 108.50 1osf h LYS 74 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1osf h LYS 74 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1osf h LYS 74 CO 0.00 0.60 0.24 -1.21 -0.57 0.00 0.00 179.45 178.51 1osf s GLU 75 N -3.04 4.39 -0.46 3.15 2.02 -1.26 -5.02 118.70 118.47 1osf s GLU 75 Ca 0.02 0.98 -0.13 0.00 0.02 0.00 0.00 54.97 55.86 1osf s GLU 75 Cb 0.09 -3.50 0.08 0.00 0.10 0.00 0.00 34.13 30.90 1osf s GLU 75 CO 0.75 -0.11 0.36 -0.51 0.02 0.00 0.00 175.26 175.77 1osf s LEU 76 N 1.39 5.55 0.35 1.80 1.43 -1.26 -4.78 118.68 123.15 1osf s LEU 76 Ca 0.39 -1.45 -0.11 0.00 -1.03 0.00 0.00 54.13 51.93 1osf s LEU 76 Cb -0.18 -2.12 0.03 0.00 0.03 0.00 0.00 46.19 43.95 1osf s LEU 76 CO 0.17 -0.64 0.63 -1.38 0.23 0.00 0.00 176.35 175.36 1osf s HIS 77 N 1.56 0.47 -0.06 0.29 -3.43 -1.26 -4.27 115.29 108.59 1osf s HIS 77 Ca 0.04 -0.93 0.05 0.00 -0.80 0.00 0.00 55.06 53.42 1osf s HIS 77 Cb -0.25 0.42 -0.00 0.00 -1.43 0.00 0.00 32.58 31.32 1osf s HIS 77 CO 0.05 -1.32 -0.21 0.42 -2.00 0.00 0.00 174.74 171.67 1osf s ILE 78 N -2.91 1.77 -0.05 -5.38 1.01 -0.06 -2.50 121.20 113.08 1osf s ILE 78 Ca 0.21 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 60.02 1osf s ILE 78 Cb -0.03 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 1osf s ILE 78 CO 0.14 0.50 -0.23 0.20 0.00 0.00 0.00 174.94 175.55 1osf s ASN 79 N 0.04 3.29 -0.16 3.58 0.02 0.14 -0.74 114.94 121.11 1osf s ASN 79 Ca -0.07 -0.44 -0.01 0.00 -1.02 0.00 0.00 52.86 51.32 1osf s ASN 79 Cb -0.14 -0.78 -0.01 0.00 0.02 0.00 0.00 41.25 40.35 1osf s ASN 79 CO 0.04 0.27 -0.10 -0.76 0.02 0.00 0.00 177.10 176.57 1osf s LEU 80 N -0.33 2.77 -0.26 0.60 1.43 0.65 -0.61 118.68 122.93 1osf s LEU 80 Ca 0.02 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1osf s LEU 80 Cb -0.12 -1.65 0.08 0.00 0.03 0.00 0.00 46.19 44.53 1osf s LEU 80 CO 0.02 0.11 0.05 -0.63 0.23 0.00 0.00 176.35 176.13 1osf s ILE 81 N 0.70 0.89 0.31 -0.59 1.01 0.03 -1.03 121.20 122.52 1osf s ILE 81 Ca -0.05 -1.13 -0.14 0.00 0.00 0.00 0.00 60.65 59.33 1osf s ILE 81 Cb -0.15 -1.51 -0.09 0.00 0.01 0.00 0.00 42.46 40.72 1osf s ILE 81 CO 0.02 -0.44 0.71 -2.16 0.00 0.00 0.00 174.94 173.07 1osf s PRO 82 N 1.65 3.97 -0.30 2.79 0.04 -1.26 -0.96 135.00 140.92 1osf s PRO 82 Ca 0.04 0.61 -0.03 0.00 0.04 0.00 0.00 61.00 61.67 1osf s PRO 82 Cb -0.17 -2.46 0.11 0.00 0.04 0.00 0.00 34.50 32.02 1osf s PRO 82 CO -0.17 0.17 0.18 1.21 0.04 0.00 0.00 177.00 178.44 1osf s ASN 83 N -2.32 2.99 0.32 6.66 3.84 0.74 -4.91 114.94 122.27 1osf s ASN 83 Ca 0.53 -1.29 0.08 0.00 0.21 0.00 0.00 52.86 52.39 1osf s ASN 83 Cb -0.10 -0.14 0.56 0.00 -0.55 0.00 0.00 41.25 41.01 1osf s ASN 83 CO 0.18 -0.41 1.76 0.11 -2.79 0.00 0.00 177.10 175.96 1osf h LYS 84 N 8.17 0.21 -0.39 0.43 1.57 -1.91 0.03 116.57 124.69 1osf h LYS 84 Ca -0.15 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.57 1osf h LYS 84 Cb 1.02 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 1osf h LYS 84 CO 0.39 0.54 0.20 0.37 -0.57 0.00 0.00 179.45 180.38 1osf h GLN 85 N 0.18 0.40 -0.35 3.15 5.75 -1.95 -2.80 115.11 119.49 1osf h GLN 85 Ca 0.02 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1osf h GLN 85 Cb 0.70 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.16 1osf h GLN 85 CO 0.05 0.26 0.00 -0.40 -2.65 0.00 0.00 178.83 176.10 1osf n ASP 86 N -4.91 3.60 -3.86 -0.69 5.75 -1.21 -4.99 116.55 110.25 1osf n ASP 86 Ca 0.01 -2.50 -0.30 0.00 -0.01 0.00 0.00 54.79 52.00 1osf n ASP 86 Cb 0.08 -0.41 0.01 0.00 -1.03 0.00 0.00 41.12 39.77 1osf n ASP 86 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1osf n ARG 87 N 0.17 -2.21 -4.22 0.11 0.63 -0.15 -4.88 116.66 106.11 1osf n ARG 87 Ca 0.18 0.40 -0.20 0.00 -0.92 0.00 0.00 57.85 57.30 1osf n ARG 87 Cb 0.69 -4.20 -0.12 0.00 0.45 0.00 0.00 32.46 29.29 1osf n ARG 87 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1osf s THR 88 N -3.73 1.34 -0.16 5.15 -4.23 -0.36 -1.95 115.64 111.70 1osf s THR 88 Ca 0.23 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1osf s THR 88 Cb -0.09 -1.30 0.03 0.00 1.34 0.00 0.00 72.50 72.47 1osf s THR 88 CO 0.89 -0.20 -0.14 -0.22 -0.54 0.00 0.00 174.62 174.41 1osf s LEU 89 N -1.91 1.79 -0.13 4.79 2.96 -0.62 -0.19 118.68 125.37 1osf s LEU 89 Ca 0.02 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.36 1osf s LEU 89 Cb -0.09 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.37 1osf s LEU 89 CO 0.03 -0.07 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.06 1osf s THR 90 N 1.47 3.82 -0.27 3.68 2.01 -0.14 -0.99 115.64 125.22 1osf s THR 90 Ca 0.04 -0.39 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 1osf s THR 90 Cb -0.13 -2.65 0.01 0.00 0.01 0.00 0.00 72.50 69.74 1osf s THR 90 CO -0.10 0.52 0.03 -0.63 -0.69 0.00 0.00 174.62 173.75 1osf s ILE 91 N 0.06 3.65 -0.05 1.82 1.09 -0.45 -0.79 121.20 126.53 1osf s ILE 91 Ca -0.01 -0.71 0.05 0.00 -1.10 0.00 0.00 60.65 58.88 1osf s ILE 91 Cb -0.14 -2.84 -0.02 0.00 -1.06 0.00 0.00 42.46 38.41 1osf s ILE 91 CO 0.03 0.17 -0.20 -0.69 -0.10 0.00 0.00 174.94 174.15 1osf s VAL 92 N 1.46 2.55 0.15 2.92 1.01 0.22 -0.67 120.40 128.05 1osf s VAL 92 Ca 0.03 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1osf s VAL 92 Cb -0.17 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1osf s VAL 92 CO 0.00 0.57 -0.09 1.51 0.00 0.00 0.00 175.10 177.10 1osf s ASP 93 N -0.41 1.70 -0.52 3.32 1.47 -0.30 0.25 116.67 122.18 1osf s ASP 93 Ca 0.04 -1.03 0.02 0.00 1.18 0.00 0.00 52.55 52.75 1osf s ASP 93 Cb -0.12 0.01 0.48 0.00 -0.34 0.00 0.00 42.92 42.95 1osf s ASP 93 CO 0.02 -0.37 1.78 0.35 0.68 0.00 0.00 175.17 177.62 1osf n THR 94 N -0.20 3.24 -0.34 2.11 -2.24 -1.04 -2.18 114.28 113.62 1osf n THR 94 Ca -0.10 -3.12 0.00 0.00 -2.27 0.00 0.00 64.05 58.56 1osf n THR 94 Cb 0.61 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1osf n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1osf n GLY 95 N -0.91 -2.04 0.26 3.38 0.00 -1.26 -4.68 105.19 99.94 1osf n GLY 95 Ca 0.56 -1.47 0.13 0.00 0.00 0.00 0.00 46.02 45.23 1osf n GLY 95 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1osf h ILE 96 N -0.98 0.55 -0.48 -0.61 2.10 -1.53 -3.19 117.51 113.36 1osf h ILE 96 Ca 0.00 -0.52 0.06 0.00 1.08 0.00 0.00 64.86 65.48 1osf h ILE 96 Cb 0.00 1.34 -0.02 0.00 -1.09 0.00 0.00 36.82 37.05 1osf h ILE 96 CO 0.00 0.11 -0.09 0.61 -1.08 0.00 0.00 178.15 177.70 1osf n GLY 97 N -0.68 -1.56 3.14 8.18 0.00 -1.26 -4.21 105.19 108.79 1osf n GLY 97 Ca -0.02 -1.47 -0.18 0.00 0.00 0.00 0.00 46.02 44.35 1osf n GLY 97 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1osf s MET 98 N -1.48 0.81 0.76 1.61 1.00 -1.26 -4.78 119.30 115.95 1osf s MET 98 Ca 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 55.69 54.79 1osf s MET 98 Cb 0.00 -0.79 0.10 0.00 0.00 0.00 0.00 34.83 34.14 1osf s MET 98 CO 0.00 0.18 1.07 0.95 0.00 0.00 0.00 175.02 177.22 1osf s THR 99 N -1.09 2.20 0.17 2.05 -4.23 -1.26 -4.03 115.64 109.44 1osf s THR 99 Ca -0.02 -0.29 -0.14 0.00 -1.18 0.00 0.00 61.69 60.06 1osf s THR 99 Cb -0.09 -2.91 0.06 0.00 1.34 0.00 0.00 72.50 70.90 1osf s THR 99 CO 0.02 0.00 1.81 0.50 -0.54 0.00 0.00 174.62 176.41 1osf h LYS 100 N -0.78 0.70 -0.35 3.99 3.64 -1.98 -1.90 116.57 119.88 1osf h LYS 100 Ca -0.43 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 58.83 1osf h LYS 100 Cb 1.29 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1osf h LYS 100 CO 0.51 0.49 -0.08 0.00 -2.27 0.00 0.00 179.45 178.10 1osf h ALA 101 N 1.16 1.21 -0.62 5.00 0.00 -1.99 -1.37 119.26 122.65 1osf h ALA 101 Ca 0.19 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1osf h ALA 101 Cb -0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 1osf h ALA 101 CO -0.04 0.51 0.32 -0.44 0.00 0.00 0.00 179.25 179.61 1osf h ASP 102 N 0.54 0.45 0.19 0.00 3.32 -1.73 0.44 116.42 119.63 1osf h ASP 102 Ca 0.10 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1osf h ASP 102 Cb 0.47 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1osf h ASP 102 CO 0.03 0.29 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.67 1osf h LEU 103 N 0.59 -0.22 -0.60 1.55 3.38 -0.91 -0.63 115.31 118.47 1osf h LEU 103 Ca 0.29 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1osf h LEU 103 Cb 0.22 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1osf h LEU 103 CO -0.20 0.18 0.39 0.40 0.09 0.00 0.00 178.44 179.30 1osf h ILE 104 N -0.66 1.16 0.00 1.22 2.04 -1.10 -0.24 117.51 119.93 1osf h ILE 104 Ca -0.03 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1osf h ILE 104 Cb 0.47 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1osf h ILE 104 CO 0.04 0.15 -0.11 0.78 0.00 0.00 0.00 178.15 179.01 1osf h ASN 105 N 0.81 0.00 0.16 1.72 2.35 -1.00 -2.88 115.58 116.73 1osf h ASN 105 Ca 0.22 -0.74 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 1osf h ASN 105 Cb -0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1osf h ASN 105 CO -0.05 0.93 -0.17 0.59 -1.65 0.00 0.00 177.43 177.09 1osf n ASN 106 N -4.63 1.18 -2.33 5.81 4.13 -0.25 -1.53 115.26 117.64 1osf n ASN 106 Ca -0.10 -1.09 -0.24 0.00 1.68 0.00 0.00 54.58 54.84 1osf n ASN 106 Cb 0.39 0.09 0.01 0.00 -1.54 0.00 0.00 39.78 38.73 1osf n ASN 106 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1osf n LEU 107 N -0.38 4.45 0.00 3.41 7.94 -0.10 -4.94 117.00 127.38 1osf n LEU 107 Ca 0.14 -4.85 0.00 0.00 -1.11 0.00 0.00 56.01 50.19 1osf n LEU 107 Cb 0.35 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 43.98 1osf n LEU 107 CO 0.23 2.09 0.00 0.61 -1.11 0.00 0.00 177.39 179.21 1osf n GLY 108 N -0.55 2.08 0.12 -3.96 0.00 -1.26 -4.84 105.19 96.78 1osf n GLY 108 Ca 0.38 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 1osf n GLY 108 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1osf h THR 109 N 0.00 0.90 -3.41 2.61 1.35 -1.58 0.88 112.91 113.66 1osf h THR 109 Ca 0.00 -2.61 -0.55 0.00 -0.55 0.00 0.00 66.41 62.71 1osf h THR 109 Cb 0.00 2.61 -0.04 0.00 -1.73 0.00 0.00 68.15 68.99 1osf h THR 109 CO 0.00 0.78 0.23 -0.63 -0.25 0.00 0.00 175.52 175.65 1osf s ILE 110 N -2.59 4.88 0.55 6.82 1.01 -0.58 -4.30 121.20 126.98 1osf s ILE 110 Ca -0.13 1.76 -0.21 0.00 0.00 0.00 0.00 60.65 62.07 1osf s ILE 110 Cb 0.07 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 1osf s ILE 110 CO 0.82 0.24 1.29 0.00 0.00 0.00 0.00 174.94 177.29 1osf s ALA 111 N 0.66 2.76 -0.10 9.38 0.00 -1.26 -4.93 121.76 128.28 1osf s ALA 111 Ca 0.44 1.19 0.03 0.00 0.00 0.00 0.00 51.96 53.62 1osf s ALA 111 Cb -0.20 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.42 1osf s ALA 111 CO 0.24 -1.22 -0.19 0.15 0.00 0.00 0.00 175.76 174.74 1osf s LYS 112 N -2.98 2.50 0.47 0.00 1.02 -1.26 -5.01 119.74 114.48 1osf s LYS 112 Ca 0.72 -0.68 0.18 0.00 0.02 0.00 0.00 55.97 56.20 1osf s LYS 112 Cb -0.36 -1.99 1.16 0.00 -0.52 0.00 0.00 37.83 36.12 1osf s LYS 112 CO 0.42 0.06 1.99 0.66 -0.92 0.00 0.00 175.35 177.55 1osf h SER 113 N 7.02 0.24 0.24 2.83 4.64 -1.95 -1.07 113.55 125.50 1osf h SER 113 Ca -0.27 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.03 1osf h SER 113 Cb 1.20 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1osf h SER 113 CO 0.49 0.14 -0.17 1.23 -0.87 0.00 0.00 176.83 177.64 1osf h GLY 114 N 0.26 0.00 0.77 -0.77 0.00 -1.96 -2.76 103.07 98.61 1osf h GLY 114 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 1osf h GLY 114 CO -0.06 0.00 -0.38 -0.84 0.00 0.00 0.00 176.54 175.26 1osf h THR 115 N 0.00 0.22 -0.32 4.70 2.02 -1.39 0.31 112.91 118.44 1osf h THR 115 Ca -0.00 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 1osf h THR 115 Cb 0.34 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1osf h THR 115 CO 0.02 0.00 -0.28 0.50 0.37 0.00 0.00 175.52 176.13 1osf h LYS 116 N -0.90 0.66 -0.66 6.66 3.64 -1.70 -2.32 116.57 121.95 1osf h LYS 116 Ca -0.06 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 1osf h LYS 116 Cb 0.75 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 1osf h LYS 116 CO 0.03 0.87 0.32 0.00 -2.27 0.00 0.00 179.45 178.40 1osf h ALA 117 N 1.12 1.31 -0.18 5.00 0.00 -1.27 -0.17 119.26 125.07 1osf h ALA 117 Ca 0.07 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1osf h ALA 117 Cb 0.78 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1osf h ALA 117 CO 0.06 0.53 -0.13 0.35 0.00 0.00 0.00 179.25 180.07 1osf h PHE 118 N 0.93 0.47 -0.29 0.00 3.57 -0.14 -0.17 116.94 121.31 1osf h PHE 118 Ca 0.23 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1osf h PHE 118 Cb 0.10 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1osf h PHE 118 CO 0.01 0.74 -0.08 0.52 -2.23 0.00 0.00 178.31 177.27 1osf h MET 119 N 0.06 0.48 -0.35 1.11 2.86 -1.17 0.40 114.93 118.32 1osf h MET 119 Ca 0.03 -0.12 -0.15 0.00 -2.06 0.00 0.00 59.70 57.41 1osf h MET 119 Cb 0.64 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1osf h MET 119 CO 0.03 0.56 -0.36 0.93 1.06 0.00 0.00 176.91 179.13 1osf h GLU 120 N 0.45 0.83 -0.64 1.72 5.08 -0.94 -1.40 114.58 119.67 1osf h GLU 120 Ca 0.09 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1osf h GLU 120 Cb 0.41 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1osf h GLU 120 CO 0.02 1.05 0.32 0.00 -1.00 0.00 0.00 179.01 179.41 1osf h ALA 121 N 0.90 0.83 -0.77 3.43 0.00 -0.12 0.55 119.26 124.08 1osf h ALA 121 Ca 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1osf h ALA 121 Cb 0.93 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1osf h ALA 121 CO 0.09 0.38 0.34 -0.07 0.00 0.00 0.00 179.25 179.99 1osf h LEU 122 N 0.88 1.03 -1.52 0.00 3.38 -0.72 0.40 115.31 118.77 1osf h LEU 122 Ca 0.22 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1osf h LEU 122 Cb 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1osf h LEU 122 CO -0.03 0.89 -0.17 -0.61 0.09 0.00 0.00 178.44 178.62 1osf h GLN 123 N 1.09 0.10 -0.08 1.13 4.15 -0.63 -0.63 115.11 120.25 1osf h GLN 123 Ca 0.26 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1osf h GLN 123 Cb 0.16 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.83 1osf h GLN 123 CO -0.03 0.27 0.00 0.00 -1.93 0.00 0.00 178.83 177.15 1osf n ALA 124 N -2.50 2.57 0.00 3.38 0.00 0.13 -4.89 120.51 119.20 1osf n ALA 124 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1osf n ALA 124 Cb 0.26 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1osf n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1osf n GLY 125 N 0.98 0.82 3.60 0.00 0.00 -0.24 -5.04 105.19 105.31 1osf n GLY 125 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1osf n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1osf s ALA 126 N -2.00 0.46 -0.03 4.61 0.00 0.13 -4.95 121.76 119.98 1osf s ALA 126 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 51.96 51.77 1osf s ALA 126 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1osf s ALA 126 CO 0.00 -3.20 0.12 0.34 0.00 0.00 0.00 175.76 173.02 1osf s ASP 127 N -3.01 5.98 0.57 0.00 2.15 -1.26 -4.60 116.67 116.49 1osf s ASP 127 Ca 0.66 0.26 0.26 0.00 0.43 0.00 0.00 52.55 54.16 1osf s ASP 127 Cb -0.21 -1.81 1.57 0.00 -0.30 0.00 0.00 42.92 42.16 1osf s ASP 127 CO 0.60 0.30 2.13 0.40 -0.17 0.00 0.00 175.17 178.43 1osf h ILE 128 N 3.30 0.64 0.00 4.11 2.04 -1.99 -0.33 117.51 125.28 1osf h ILE 128 Ca -0.50 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1osf h ILE 128 Cb 1.19 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1osf h ILE 128 CO 0.63 0.00 0.00 -0.24 0.00 0.00 0.00 178.15 178.54 1osf n SER 129 N -4.06 0.45 -0.38 1.72 2.88 -1.26 -1.62 113.62 111.35 1osf n SER 129 Ca 0.01 0.68 0.14 0.00 -1.33 0.00 0.00 58.87 58.37 1osf n SER 129 Cb 0.27 -0.75 0.60 0.00 -0.75 0.00 0.00 64.21 63.58 1osf n SER 129 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1osf n MET 130 N -2.07 1.51 -0.35 -1.46 2.81 -0.14 -4.40 117.12 113.03 1osf n MET 130 Ca 0.00 -0.77 0.23 0.00 -1.81 0.00 0.00 57.70 55.36 1osf n MET 130 Cb 0.08 -1.48 0.48 0.00 -0.71 0.00 0.00 33.22 31.59 1osf n MET 130 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 1osf h ILE 131 N 1.87 0.42 0.00 2.02 2.10 -1.48 0.70 117.51 123.14 1osf h ILE 131 Ca 0.00 -0.13 -0.03 0.00 1.08 0.00 0.00 64.86 65.77 1osf h ILE 131 Cb 0.41 -0.00 -0.00 0.00 -1.09 0.00 0.00 36.82 36.13 1osf h ILE 131 CO 0.00 0.07 -0.17 1.23 -1.08 0.00 0.00 178.15 178.21 1osf h GLY 132 N 0.39 0.00 2.00 8.18 0.00 -1.85 -1.65 103.07 110.14 1osf h GLY 132 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.00 1osf h GLY 132 CO -0.44 0.00 0.00 1.46 0.00 0.00 0.00 176.54 177.56 1osf h GLN 133 N 0.00 0.00 -0.59 4.80 4.20 -1.18 -2.13 115.11 120.21 1osf h GLN 133 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1osf h GLN 133 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1osf h GLN 133 CO 0.02 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 179.37 1osf n PHE 134 N -2.73 0.78 -1.32 2.96 3.01 -0.62 -4.97 117.46 114.56 1osf n PHE 134 Ca 0.00 -0.46 -0.11 0.00 1.01 0.00 0.00 57.45 57.89 1osf n PHE 134 Cb 0.21 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 39.63 1osf n PHE 134 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1osf n GLY 135 N 1.35 1.22 0.53 1.37 0.00 -0.80 -4.17 105.19 104.69 1osf n GLY 135 Ca 0.21 -0.44 0.06 0.00 0.00 0.00 0.00 46.02 45.85 1osf n GLY 135 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1osf n VAL 136 N -2.63 1.56 0.24 1.61 0.24 -1.22 -4.84 118.33 113.29 1osf n VAL 136 Ca -0.11 -2.26 0.16 0.00 -2.04 0.00 0.00 64.34 60.09 1osf n VAL 136 Cb 0.39 0.01 0.85 0.00 -1.47 0.00 0.00 33.84 33.62 1osf n VAL 136 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1osf h GLY 137 N 0.55 0.00 0.50 7.63 0.00 -1.85 -2.48 103.07 107.42 1osf h GLY 137 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.41 1osf h GLY 137 CO 0.01 0.00 0.56 -2.75 0.00 0.00 0.00 176.54 174.36 1osf h PHE 138 N 0.00 1.02 0.00 5.60 3.57 -1.88 -0.74 116.94 124.51 1osf h PHE 138 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1osf h PHE 138 Cb 0.27 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1osf h PHE 138 CO 0.00 0.41 0.00 0.66 -2.23 0.00 0.00 178.31 177.15 1osf n TYR 139 N -4.67 0.17 0.37 0.41 4.01 -0.93 -1.18 117.16 115.34 1osf n TYR 139 Ca 0.16 0.08 0.11 0.00 -0.16 0.00 0.00 57.90 58.09 1osf n TYR 139 Cb 0.31 -0.63 0.48 0.00 -0.31 0.00 0.00 39.34 39.20 1osf n TYR 139 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1osf n SER 140 N -1.67 0.59 -0.01 7.72 3.41 -0.28 -2.17 113.62 121.22 1osf n SER 140 Ca 0.01 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 1osf n SER 140 Cb 0.08 -0.78 0.54 0.00 -0.26 0.00 0.00 64.21 63.79 1osf n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1osf h ALA 141 N 2.25 2.05 0.00 7.33 0.00 -1.32 0.03 119.26 129.60 1osf h ALA 141 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1osf h ALA 141 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1osf h ALA 141 CO 0.00 -0.15 0.00 0.66 0.00 0.00 0.00 179.25 179.76 1osf n TYR 142 N -4.47 0.00 0.10 0.00 4.01 -0.92 -1.33 117.16 114.56 1osf n TYR 142 Ca 0.07 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.78 1osf n TYR 142 Cb 0.33 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.51 1osf n TYR 142 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1osf h LEU 143 N 0.00 0.18 0.00 7.72 3.38 -1.19 -3.36 115.31 122.04 1osf h LEU 143 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1osf h LEU 143 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1osf h LEU 143 CO 0.00 0.72 -0.57 1.33 0.09 0.00 0.00 178.44 180.01 1osf n VAL 144 N -3.88 0.00 -4.60 1.22 0.24 -0.96 -5.00 118.33 105.36 1osf n VAL 144 Ca -0.02 -0.22 -0.34 0.00 -2.04 0.00 0.00 64.34 61.72 1osf n VAL 144 Cb 0.59 0.72 -0.11 0.00 -1.47 0.00 0.00 33.84 33.57 1osf n VAL 144 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1osf s ALA 145 N -1.58 3.01 -0.26 2.33 0.00 -0.44 -0.52 121.76 124.31 1osf s ALA 145 Ca -0.00 -0.88 0.22 0.00 0.00 0.00 0.00 51.96 51.30 1osf s ALA 145 Cb 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 23.12 21.90 1osf s ALA 145 CO 0.01 0.57 1.11 1.05 0.00 0.00 0.00 175.76 178.50 1osf h GLU 146 N 5.25 0.00 -2.89 0.00 4.11 -1.24 -3.40 114.58 116.41 1osf h GLU 146 Ca -0.49 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.81 1osf h GLU 146 Cb 1.17 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.18 1osf h GLU 146 CO 0.53 0.01 -0.31 0.21 0.07 0.00 0.00 179.01 179.52 1osf s LYS 147 N -3.34 0.41 -0.07 1.06 2.20 -1.17 -4.48 119.74 114.35 1osf s LYS 147 Ca 0.00 0.47 0.03 0.00 -0.36 0.00 0.00 55.97 56.11 1osf s LYS 147 Cb 0.09 0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.62 1osf s LYS 147 CO 0.78 -0.05 -0.17 0.08 -0.36 0.00 0.00 175.35 175.62 1osf s VAL 148 N 0.14 1.52 -0.15 4.02 1.01 -0.61 -0.71 120.40 125.62 1osf s VAL 148 Ca -0.00 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1osf s VAL 148 Cb -0.02 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1osf s VAL 148 CO 0.01 0.44 -0.19 -0.89 0.00 0.00 0.00 175.10 174.46 1osf s THR 149 N 0.43 2.30 -0.25 3.92 2.01 -0.44 -1.80 115.64 121.81 1osf s THR 149 Ca -0.14 -0.89 -0.04 0.00 0.31 0.00 0.00 61.69 60.93 1osf s THR 149 Cb -0.16 -1.94 0.01 0.00 0.01 0.00 0.00 72.50 70.42 1osf s THR 149 CO 0.05 0.53 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.82 1osf s VAL 150 N 0.86 3.41 -0.17 3.82 1.01 0.12 0.22 120.40 129.67 1osf s VAL 150 Ca -0.05 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1osf s VAL 150 Cb -0.15 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1osf s VAL 150 CO -0.02 0.24 0.04 -0.63 0.00 0.00 0.00 175.10 174.73 1osf s ILE 151 N 1.44 4.60 -0.01 2.22 -1.09 0.39 -0.06 121.20 128.68 1osf s ILE 151 Ca 0.03 -0.11 -0.03 0.00 -2.23 0.00 0.00 60.65 58.31 1osf s ILE 151 Cb -0.16 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 1osf s ILE 151 CO -0.02 0.48 0.07 0.28 -1.23 0.00 0.00 174.94 174.52 1osf s THR 152 N 0.29 0.04 -0.18 2.92 -1.32 -0.12 0.40 115.64 117.67 1osf s THR 152 Ca 0.02 -0.34 -0.03 0.00 -1.21 0.00 0.00 61.69 60.13 1osf s THR 152 Cb -0.13 -0.22 0.06 0.00 -1.51 0.00 0.00 72.50 70.70 1osf s THR 152 CO 0.01 -0.19 0.03 -0.75 -2.21 0.00 0.00 174.62 171.51 1osf s LYS 153 N -0.58 0.65 0.04 7.08 2.47 0.24 -0.96 119.74 128.68 1osf s LYS 153 Ca -0.07 -0.35 -0.01 0.00 -1.56 0.00 0.00 55.97 53.99 1osf s LYS 153 Cb -0.04 -1.96 -0.04 0.00 -1.46 0.00 0.00 37.83 34.33 1osf s LYS 153 CO 0.00 -0.59 0.21 -1.58 0.16 0.00 0.00 175.35 173.55 1osf s HIS 154 N 1.88 3.53 0.65 4.03 5.65 -1.26 -0.77 115.29 128.99 1osf s HIS 154 Ca -0.00 0.30 -0.18 0.00 0.25 0.00 0.00 55.06 55.43 1osf s HIS 154 Cb -0.16 -1.80 -0.02 0.00 -1.18 0.00 0.00 32.58 29.42 1osf s HIS 154 CO -0.08 0.60 1.18 0.09 -0.65 0.00 0.00 174.74 175.88 1osf n ASN 155 N 0.47 1.57 -3.41 9.88 3.02 -1.26 -2.69 115.26 122.83 1osf n ASN 155 Ca -0.07 0.80 -0.25 0.00 -0.03 0.00 0.00 54.58 55.04 1osf n ASN 155 Cb 0.51 -1.50 0.02 0.00 -0.61 0.00 0.00 39.78 38.20 1osf n ASN 155 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1osf n ASP 156 N -1.63 -4.80 -3.88 6.41 9.92 -1.26 -4.94 116.55 116.37 1osf n ASP 156 Ca 0.15 -0.46 -0.08 0.00 -0.53 0.00 0.00 54.79 53.87 1osf n ASP 156 Cb 0.48 -3.89 -0.03 0.00 -0.64 0.00 0.00 41.12 37.04 1osf n ASP 156 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1osf s ASP 157 N -2.88 -0.21 0.70 -2.24 -1.08 -1.10 -5.17 116.67 104.69 1osf s ASP 157 Ca 0.45 -0.69 -0.07 0.00 -0.52 0.00 0.00 52.55 51.73 1osf s ASP 157 Cb -0.22 0.66 0.06 0.00 -1.46 0.00 0.00 42.92 41.95 1osf s ASP 157 CO 0.55 -1.23 1.01 -1.61 0.52 0.00 0.00 175.17 174.42 1osf s GLU 158 N -3.94 2.22 0.00 4.34 2.02 -1.26 -4.64 118.70 117.43 1osf s GLU 158 Ca 0.14 -0.25 -0.24 0.00 0.02 0.00 0.00 54.97 54.65 1osf s GLU 158 Cb -0.03 -2.17 -0.05 0.00 0.10 0.00 0.00 34.13 31.98 1osf s GLU 158 CO 0.06 -1.22 0.74 -1.14 0.02 0.00 0.00 175.26 173.71 1osf s GLN 159 N -5.24 4.46 0.21 1.61 0.74 -1.26 -4.42 119.66 115.76 1osf s GLN 159 Ca 0.60 0.98 0.11 0.00 0.05 0.00 0.00 55.36 57.11 1osf s GLN 159 Cb -0.11 -3.39 -0.05 0.00 1.10 0.00 0.00 33.01 30.56 1osf s GLN 159 CO 0.45 0.20 -0.23 0.71 -0.55 0.00 0.00 175.29 175.88 1osf s TYR 160 N 0.26 2.27 -0.14 1.67 2.02 -0.13 -0.47 117.35 122.83 1osf s TYR 160 Ca 0.38 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.72 1osf s TYR 160 Cb -0.19 -1.09 0.02 0.00 -0.40 0.00 0.00 41.96 40.30 1osf s TYR 160 CO 0.21 0.54 -0.12 0.00 -1.57 0.00 0.00 175.55 174.62 1osf s ALA 161 N -1.91 1.66 -0.04 3.71 0.00 -0.13 -0.95 121.76 124.09 1osf s ALA 161 Ca 0.23 -0.77 -0.00 0.00 0.00 0.00 0.00 51.96 51.41 1osf s ALA 161 Cb -0.07 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1osf s ALA 161 CO 0.11 -0.40 0.02 -0.46 0.00 0.00 0.00 175.76 175.03 1osf s TRP 162 N 1.57 3.16 -0.14 0.00 -0.00 0.91 -1.95 118.94 122.48 1osf s TRP 162 Ca 0.05 0.16 -0.19 0.00 -0.00 0.00 0.00 56.10 56.12 1osf s TRP 162 Cb -0.13 -1.74 0.05 0.00 -0.00 0.00 0.00 33.47 31.65 1osf s TRP 162 CO -0.10 0.49 0.51 -2.00 -0.00 0.00 0.00 176.95 175.84 1osf s GLU 163 N -1.28 0.68 -0.25 5.86 2.12 -0.49 0.13 118.70 125.48 1osf s GLU 163 Ca 0.17 0.50 -0.24 0.00 0.36 0.00 0.00 54.97 55.76 1osf s GLU 163 Cb -0.12 0.33 0.07 0.00 0.26 0.00 0.00 34.13 34.67 1osf s GLU 163 CO 0.07 -0.13 0.68 0.45 -0.54 0.00 0.00 175.26 175.79 1osf s SER 164 N -0.22 -0.71 -0.23 -1.70 0.15 -0.74 -0.48 113.70 109.77 1osf s SER 164 Ca -0.04 1.35 0.14 0.00 0.70 0.00 0.00 55.95 58.10 1osf s SER 164 Cb -0.03 1.36 0.57 0.00 -1.71 0.00 0.00 66.02 66.21 1osf s SER 164 CO 0.03 -0.25 1.51 -1.20 1.20 0.00 0.00 173.24 174.53 1osf n SER 165 N 2.65 3.75 -3.73 5.45 7.64 -1.26 -1.58 113.62 126.54 1osf n SER 165 Ca -0.14 -3.24 -0.22 0.00 1.01 0.00 0.00 58.87 56.28 1osf n SER 165 Cb 0.55 -0.61 0.03 0.00 -1.01 0.00 0.00 64.21 63.18 1osf n SER 165 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1osf n ALA 166 N -0.58 -1.93 -1.14 -0.43 0.00 -1.26 -4.86 120.51 110.30 1osf n ALA 166 Ca 0.28 -0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.61 1osf n ALA 166 Cb 1.03 -2.21 0.25 0.00 0.00 0.00 0.00 19.45 18.51 1osf n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1osf n GLY 167 N -1.60 4.23 0.04 0.00 0.00 -1.26 -4.88 105.19 101.72 1osf n GLY 167 Ca -0.26 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1osf n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1osf n GLY 168 N -0.64 0.13 3.21 -0.02 0.00 -1.26 -5.06 105.19 101.56 1osf n GLY 168 Ca 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 1osf n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1osf s SER 169 N -2.22 0.17 0.05 1.61 1.04 -1.26 -1.56 113.70 111.53 1osf s SER 169 Ca 0.00 -1.31 -0.09 0.00 0.48 0.00 0.00 55.95 55.03 1osf s SER 169 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1osf s SER 169 CO 0.00 -0.83 0.18 0.72 0.98 0.00 0.00 173.24 174.29 1osf s PHE 170 N -4.12 0.09 0.25 5.02 -0.12 -0.54 -4.45 117.98 114.10 1osf s PHE 170 Ca 0.34 -0.36 0.10 0.00 -0.05 0.00 0.00 56.93 56.96 1osf s PHE 170 Cb 0.07 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.36 1osf s PHE 170 CO 0.09 -0.44 -0.07 0.95 -0.05 0.00 0.00 175.22 175.70 1osf s THR 171 N -2.80 3.15 -0.05 -4.49 -4.23 0.36 -1.15 115.64 106.44 1osf s THR 171 Ca -0.03 -1.96 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1osf s THR 171 Cb 0.00 -2.65 0.02 0.00 1.34 0.00 0.00 72.50 71.22 1osf s THR 171 CO -0.05 -0.31 0.12 -0.69 -0.54 0.00 0.00 174.62 173.14 1osf s VAL 172 N -2.20 -0.03 0.15 2.29 1.01 -0.37 -1.39 120.40 119.86 1osf s VAL 172 Ca 0.29 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.19 1osf s VAL 172 Cb -0.07 -0.19 0.05 0.00 0.00 0.00 0.00 36.38 36.17 1osf s VAL 172 CO 0.17 0.04 0.50 0.00 0.00 0.00 0.00 175.10 175.81 1osf s ARG 173 N 0.65 1.21 0.03 2.72 1.70 -0.83 -1.80 118.95 122.64 1osf s ARG 173 Ca -0.05 -0.66 -0.30 0.00 -0.47 0.00 0.00 55.73 54.25 1osf s ARG 173 Cb -0.07 0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 34.78 1osf s ARG 173 CO -0.03 -0.50 1.29 0.99 -1.08 0.00 0.00 175.30 175.97 1osf s THR 174 N -3.80 3.85 0.17 4.99 2.01 -1.26 -0.96 115.64 120.64 1osf s THR 174 Ca 0.04 1.28 -0.30 0.00 0.31 0.00 0.00 61.69 63.01 1osf s THR 174 Cb 0.00 -3.82 -0.09 0.00 0.01 0.00 0.00 72.50 68.61 1osf s THR 174 CO -0.10 0.05 1.34 -0.62 -0.69 0.00 0.00 174.62 174.60 1osf s ASP 175 N 1.40 6.86 0.00 3.53 2.15 0.37 -4.80 116.67 126.18 1osf s ASP 175 Ca 0.61 2.39 0.08 0.00 0.43 0.00 0.00 52.55 56.06 1osf s ASP 175 Cb -0.30 -2.60 0.14 0.00 -0.30 0.00 0.00 42.92 39.85 1osf s ASP 175 CO 0.27 -0.58 0.96 0.35 -0.17 0.00 0.00 175.17 176.00 1osf n THR 176 N 3.07 0.45 -0.32 1.71 -2.24 -1.26 -4.85 114.28 110.84 1osf n THR 176 Ca 0.08 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1osf n THR 176 Cb 0.42 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1osf n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1osf n GLY 177 N 0.37 -0.91 3.70 3.38 0.00 -1.26 -4.95 105.19 105.53 1osf n GLY 177 Ca 0.07 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 1osf n GLY 177 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1osf s GLU 178 N -0.96 4.14 0.32 1.61 2.12 -1.26 -4.94 118.70 119.74 1osf s GLU 178 Ca 0.00 2.56 -0.29 0.00 0.36 0.00 0.00 54.97 57.61 1osf s GLU 178 Cb 0.00 -3.44 -0.11 0.00 0.26 0.00 0.00 34.13 30.84 1osf s GLU 178 CO 0.00 -0.80 1.41 -2.14 -0.54 0.00 0.00 175.26 173.19 1osf s PRO 179 N 2.26 4.25 0.30 4.30 0.02 -1.26 -5.02 135.00 139.85 1osf s PRO 179 Ca 0.78 2.36 0.11 0.00 0.02 0.00 0.00 61.00 64.27 1osf s PRO 179 Cb -0.46 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 30.96 1osf s PRO 179 CO 0.35 -0.37 -0.14 0.00 -0.33 0.00 0.00 177.00 176.51 1osf s MET 180 N -1.49 1.79 0.81 5.54 0.23 -1.26 -5.13 119.30 119.79 1osf s MET 180 Ca 0.53 -1.79 -0.12 0.00 -1.03 0.00 0.00 55.69 53.28 1osf s MET 180 Cb -0.43 -1.79 0.08 0.00 -1.53 0.00 0.00 34.83 31.16 1osf s MET 180 CO 0.54 0.26 1.16 0.20 -2.03 0.00 0.00 175.02 175.15 1osf s GLY 181 N -3.57 1.59 0.19 3.16 0.00 -1.26 -4.93 107.32 102.51 1osf s GLY 181 Ca 0.31 -0.58 -0.30 0.00 0.00 0.00 0.00 44.72 44.15 1osf s GLY 181 CO 0.16 -0.10 0.81 -2.13 0.00 0.00 0.00 173.10 171.84 1osf n ARG 182 N -3.34 0.51 0.00 2.90 0.63 -1.24 -4.69 116.66 111.42 1osf n ARG 182 Ca 0.08 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 1osf n ARG 182 Cb 0.60 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 32.10 1osf n ARG 182 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1osf n GLY 183 N 1.76 0.85 2.98 5.14 0.00 0.05 -4.37 105.19 111.59 1osf n GLY 183 Ca 0.16 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 1osf n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1osf s THR 184 N -1.95 0.34 -0.16 2.61 2.01 -0.93 -0.59 115.64 116.98 1osf s THR 184 Ca 0.00 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1osf s THR 184 Cb 0.00 -0.36 0.02 0.00 0.01 0.00 0.00 72.50 72.17 1osf s THR 184 CO 0.00 -0.13 -0.16 -0.75 -0.69 0.00 0.00 174.62 172.89 1osf s LYS 185 N -0.71 2.50 -0.37 4.92 2.20 0.16 -1.14 119.74 127.29 1osf s LYS 185 Ca -0.04 -0.64 -0.08 0.00 -0.36 0.00 0.00 55.97 54.85 1osf s LYS 185 Cb -0.05 -2.23 0.05 0.00 -1.51 0.00 0.00 37.83 34.09 1osf s LYS 185 CO -0.00 -0.22 0.18 0.08 -0.36 0.00 0.00 175.35 175.03 1osf s VAL 186 N 1.41 4.07 -0.39 4.02 1.01 0.16 -0.46 120.40 130.22 1osf s VAL 186 Ca 0.04 -1.19 -0.17 0.00 0.00 0.00 0.00 61.98 60.66 1osf s VAL 186 Cb -0.13 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.88 1osf s VAL 186 CO -0.11 -0.31 0.43 -0.63 0.00 0.00 0.00 175.10 174.48 1osf s ILE 187 N 1.43 5.09 -0.41 2.22 1.01 0.13 -1.34 121.20 129.34 1osf s ILE 187 Ca 0.01 -0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.37 1osf s ILE 187 Cb -0.21 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.31 1osf s ILE 187 CO 0.03 -0.29 0.51 -0.76 0.00 0.00 0.00 174.94 174.43 1osf s LEU 188 N 2.16 4.62 -0.75 2.97 1.43 -0.17 -1.33 118.68 127.63 1osf s LEU 188 Ca 0.13 -0.41 -0.23 0.00 -1.03 0.00 0.00 54.13 52.59 1osf s LEU 188 Cb -0.17 -2.53 0.07 0.00 0.03 0.00 0.00 46.19 43.60 1osf s LEU 188 CO 0.13 -0.60 1.09 -1.00 0.23 0.00 0.00 176.35 176.20 1osf s HIS 189 N 2.38 2.65 0.51 0.29 3.76 0.12 -1.59 115.29 123.41 1osf s HIS 189 Ca 0.16 -0.61 -0.22 0.00 -0.15 0.00 0.00 55.06 54.24 1osf s HIS 189 Cb -0.16 -4.39 -0.06 0.00 1.11 0.00 0.00 32.58 29.08 1osf s HIS 189 CO 0.15 -1.73 1.29 -0.51 -0.85 0.00 0.00 174.74 173.09 1osf s LEU 190 N 4.25 3.92 0.61 0.89 1.43 -0.82 -0.84 118.68 128.11 1osf s LEU 190 Ca 0.28 2.60 -0.17 0.00 -1.03 0.00 0.00 54.13 55.81 1osf s LEU 190 Cb -0.12 -4.25 -0.03 0.00 0.03 0.00 0.00 46.19 41.82 1osf s LEU 190 CO 0.06 -1.32 1.14 -0.54 0.23 0.00 0.00 176.35 175.92 1osf s LYS 191 N -2.82 3.00 0.57 1.70 1.02 0.33 -4.61 119.74 118.94 1osf s LYS 191 Ca 0.68 1.57 0.28 0.00 0.02 0.00 0.00 55.97 58.52 1osf s LYS 191 Cb -0.36 -1.96 1.54 0.00 -0.52 0.00 0.00 37.83 36.52 1osf s LYS 191 CO 0.43 -1.12 2.02 1.05 -0.92 0.00 0.00 175.35 176.81 1osf h GLU 192 N 0.61 0.00 -0.66 1.68 4.11 -1.94 -0.84 114.58 117.53 1osf h GLU 192 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1osf h GLU 192 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1osf h GLU 192 CO 0.55 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.23 1osf n ASP 193 N -3.93 3.87 -0.32 3.06 5.75 -1.26 -4.18 116.55 119.55 1osf n ASP 193 Ca 0.05 -2.15 0.07 0.00 -0.01 0.00 0.00 54.79 52.76 1osf n ASP 193 Cb 0.48 -0.49 0.12 0.00 -1.03 0.00 0.00 41.12 40.20 1osf n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1osf n GLN 194 N 1.30 1.06 0.00 0.11 1.13 -0.32 -4.77 117.38 115.89 1osf n GLN 194 Ca 0.23 -2.43 0.05 0.00 -1.94 0.00 0.00 57.00 52.90 1osf n GLN 194 Cb 0.66 -1.28 0.22 0.00 0.11 0.00 0.00 30.24 29.95 1osf n GLN 194 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1osf n THR 195 N -1.04 1.19 0.30 5.09 -2.24 -1.24 -2.76 114.28 113.58 1osf n THR 195 Ca 0.13 0.30 0.16 0.00 -2.27 0.00 0.00 64.05 62.37 1osf n THR 195 Cb 0.69 -1.13 0.93 0.00 -2.10 0.00 0.00 70.33 68.72 1osf n THR 195 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1osf h GLU 196 N 0.00 0.00 0.00 -0.78 4.11 -1.94 -1.45 114.58 114.52 1osf h GLU 196 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1osf h GLU 196 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1osf h GLU 196 CO 0.00 0.02 0.00 0.66 0.07 0.00 0.00 179.01 179.76 1osf n TYR 197 N -3.71 0.00 0.76 2.06 4.01 -1.11 -2.09 117.16 117.07 1osf n TYR 197 Ca -0.03 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.80 1osf n TYR 197 Cb 0.10 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.02 1osf n TYR 197 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1osf n LEU 198 N -0.51 0.76 -4.73 7.72 4.77 -0.55 -4.80 117.00 119.66 1osf n LEU 198 Ca 0.00 -0.43 -0.40 0.00 -0.03 0.00 0.00 56.01 55.15 1osf n LEU 198 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1osf n LEU 198 CO 0.00 0.19 0.55 -1.61 -1.33 0.00 0.00 177.39 175.20 1osf s GLU 199 N -2.85 4.57 0.19 3.23 0.41 -0.89 -4.83 118.70 118.53 1osf s GLU 199 Ca 0.05 1.23 -0.12 0.00 -0.41 0.00 0.00 54.97 55.72 1osf s GLU 199 Cb 0.14 -3.38 0.21 0.00 -1.78 0.00 0.00 34.13 29.31 1osf s GLU 199 CO 0.78 0.21 1.75 1.49 -0.49 0.00 0.00 175.26 179.00 1osf h GLU 200 N 5.81 0.38 -0.52 1.61 4.22 -1.92 -0.88 114.58 123.28 1osf h GLU 200 Ca -0.43 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 58.97 1osf h GLU 200 Cb 1.21 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1osf h GLU 200 CO 0.72 0.25 0.27 -0.09 -2.18 0.00 0.00 179.01 177.97 1osf h ARG 201 N 0.39 0.74 -0.37 1.92 2.43 -1.95 -1.33 114.38 116.21 1osf h ARG 201 Ca 0.26 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1osf h ARG 201 Cb 0.29 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1osf h ARG 201 CO -0.26 0.60 0.10 -0.09 -1.51 0.00 0.00 179.97 178.80 1osf h ARG 202 N 0.70 0.59 -0.09 0.20 9.65 -1.73 -1.11 114.38 122.58 1osf h ARG 202 Ca 0.18 -0.14 -0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1osf h ARG 202 Cb 0.09 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1osf h ARG 202 CO -0.03 0.62 0.06 0.82 2.80 0.00 0.00 179.97 184.24 1osf h ILE 203 N 0.45 1.06 -0.68 1.20 2.04 -1.04 -1.77 117.51 118.78 1osf h ILE 203 Ca 0.12 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1osf h ILE 203 Cb 0.29 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 1osf h ILE 203 CO 0.00 0.06 0.34 0.11 0.00 0.00 0.00 178.15 178.66 1osf h LYS 204 N 0.08 0.58 -0.07 2.37 1.57 -1.15 -1.29 116.57 118.66 1osf h LYS 204 Ca 0.03 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1osf h LYS 204 Cb 0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1osf h LYS 204 CO -0.01 0.38 -0.05 1.49 -0.57 0.00 0.00 179.45 180.70 1osf h GLU 205 N 0.60 -0.05 0.00 3.15 4.81 -0.79 -1.37 114.58 120.93 1osf h GLU 205 Ca 0.32 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.44 1osf h GLU 205 Cb 0.30 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1osf h GLU 205 CO -0.24 -0.03 -0.54 -0.84 -0.73 0.00 0.00 179.01 176.63 1osf h ILE 206 N -0.05 1.13 -0.30 2.32 3.07 -1.04 -1.39 117.51 121.26 1osf h ILE 206 Ca 0.05 -2.05 -0.18 0.00 1.55 0.00 0.00 64.86 64.23 1osf h ILE 206 Cb 0.11 2.19 -0.00 0.00 -0.27 0.00 0.00 36.82 38.86 1osf h ILE 206 CO -0.10 0.53 -0.51 0.58 -1.05 0.00 0.00 178.15 177.60 1osf h VAL 207 N 0.00 1.28 -0.24 0.16 2.07 -1.10 -1.14 116.25 117.28 1osf h VAL 207 Ca -0.01 -1.69 -0.12 0.00 0.82 0.00 0.00 66.70 65.70 1osf h VAL 207 Cb 1.15 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1osf h VAL 207 CO 0.07 0.55 -0.36 0.50 0.02 0.00 0.00 177.57 178.35 1osf h LYS 208 N 0.65 0.53 -0.01 1.57 3.64 -1.15 0.15 116.57 121.96 1osf h LYS 208 Ca 0.02 -0.25 -0.23 0.00 -1.27 0.00 0.00 60.65 58.92 1osf h LYS 208 Cb 1.12 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1osf h LYS 208 CO 0.12 0.82 -0.94 -0.22 -2.27 0.00 0.00 179.45 176.95 1osf h LYS 209 N 0.44 0.44 0.00 1.90 3.64 -1.15 -3.38 116.57 118.47 1osf h LYS 209 Ca 0.05 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1osf h LYS 209 Cb 0.84 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1osf h LYS 209 CO 0.07 1.12 -0.24 0.72 -2.27 0.00 0.00 179.45 178.86 1osf n HIS 210 N -3.76 0.00 -2.67 1.91 8.25 -0.44 -4.84 115.22 113.67 1osf n HIS 210 Ca -0.07 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.30 1osf n HIS 210 Cb 0.83 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.97 1osf n HIS 210 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1osf n SER 211 N -1.12 1.86 0.06 0.41 7.64 0.50 -4.87 113.62 118.10 1osf n SER 211 Ca 0.00 -2.65 -0.10 0.00 1.01 0.00 0.00 58.87 57.13 1osf n SER 211 Cb 0.00 -0.51 -0.13 0.00 -1.01 0.00 0.00 64.21 62.57 1osf n SER 211 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1osf h GLN 212 N 2.84 0.09 -3.01 1.43 1.08 -1.68 -3.39 115.11 112.46 1osf h GLN 212 Ca -0.06 -0.15 -0.75 0.00 -1.45 0.00 0.00 58.65 56.24 1osf h GLN 212 Cb 1.19 0.05 -0.32 0.00 -0.05 0.00 0.00 27.48 28.36 1osf h GLN 212 CO 0.46 1.01 0.28 1.19 -0.95 0.00 0.00 178.83 180.82 1osf n PHE 213 N -3.37 3.55 -4.24 2.96 3.01 -1.26 -5.01 117.46 113.09 1osf n PHE 213 Ca -0.05 -3.48 -0.31 0.00 1.01 0.00 0.00 57.45 54.63 1osf n PHE 213 Cb 0.98 -1.20 -0.09 0.00 -0.01 0.00 0.00 39.48 39.16 1osf n PHE 213 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1osf s ILE 214 N -2.12 3.78 -1.99 4.37 -1.09 -1.26 -5.02 121.20 117.86 1osf s ILE 214 Ca 0.32 -0.99 0.02 0.00 -2.23 0.00 0.00 60.65 57.77 1osf s ILE 214 Cb 0.01 -2.75 0.05 0.00 -1.58 0.00 0.00 42.46 38.19 1osf s ILE 214 CO -0.01 0.20 1.04 0.61 -1.23 0.00 0.00 174.94 175.55 1osf n GLY 215 N 0.88 -0.73 3.03 6.18 0.00 -1.26 -4.81 105.19 108.47 1osf n GLY 215 Ca -0.13 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 1osf n GLY 215 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1osf s TYR 216 N -1.92 0.17 0.41 1.61 2.02 -1.26 -5.11 117.35 113.26 1osf s TYR 216 Ca 0.04 -0.36 -0.26 0.00 -0.37 0.00 0.00 57.07 56.12 1osf s TYR 216 Cb 0.02 -0.13 -0.08 0.00 -0.40 0.00 0.00 41.96 41.36 1osf s TYR 216 CO 0.02 -0.23 1.29 -1.25 -1.57 0.00 0.00 175.55 173.82 1osf s PRO 217 N -1.41 3.94 -0.07 -1.71 0.04 -1.26 -4.83 135.00 129.70 1osf s PRO 217 Ca -0.15 2.13 0.04 0.00 0.04 0.00 0.00 61.00 63.05 1osf s PRO 217 Cb -0.09 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1osf s PRO 217 CO 0.00 -0.51 -0.19 -1.50 0.04 0.00 0.00 177.00 174.84 1osf s ILE 218 N -1.28 1.63 -0.05 0.56 2.07 -1.26 -0.88 121.20 121.99 1osf s ILE 218 Ca 0.58 -0.79 0.03 0.00 -1.41 0.00 0.00 60.65 59.06 1osf s ILE 218 Cb -0.37 -1.42 0.01 0.00 0.13 0.00 0.00 42.46 40.80 1osf s ILE 218 CO 0.48 0.46 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.95 1osf s THR 219 N 0.31 1.11 -0.22 4.00 2.01 0.08 -4.99 115.64 117.94 1osf s THR 219 Ca -0.12 -0.51 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 1osf s THR 219 Cb -0.15 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 1osf s THR 219 CO 0.05 0.34 0.27 -0.22 -0.69 0.00 0.00 174.62 174.37 1osf s LEU 220 N 0.35 4.13 -0.25 4.42 2.96 -1.26 -0.25 118.68 128.78 1osf s LEU 220 Ca -0.08 0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 54.05 1osf s LEU 220 Cb -0.13 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 1osf s LEU 220 CO 0.02 -0.00 0.09 -0.36 -1.32 0.00 0.00 176.35 174.78 1osf s PHE 221 N 1.20 3.11 0.18 5.38 0.08 -0.20 -4.95 117.98 122.78 1osf s PHE 221 Ca 0.13 -0.31 0.10 0.00 0.12 0.00 0.00 56.93 56.96 1osf s PHE 221 Cb -0.14 -2.26 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 1osf s PHE 221 CO 0.06 -0.31 -0.14 0.08 -0.10 0.00 0.00 175.22 174.81 1osf s VAL 222 N 1.59 2.93 0.00 -0.44 1.01 -1.26 -4.22 120.40 120.01 1osf s VAL 222 Ca 0.06 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.30 1osf s VAL 222 Cb -0.15 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1osf s VAL 222 CO 0.05 -0.09 0.00 -0.62 0.00 0.00 0.00 175.10 174.44