#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upf h GLU 22 N 0.00 -0.58 -0.25 3.69 4.81 -1.98 0.13 114.58 120.39 1upf h GLU 22 Ca 0.00 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1upf h GLU 22 Cb 0.00 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1upf h GLU 22 CO 0.00 -0.34 -0.15 -1.91 -0.73 0.00 0.00 179.01 175.88 1upf n GLU 23 N -5.18 -0.11 -0.31 1.92 4.07 -1.26 0.25 120.64 120.02 1upf n GLU 23 Ca -0.08 1.06 0.18 0.00 -0.06 0.00 0.00 57.16 58.26 1upf n GLU 23 Cb 0.26 -1.57 0.45 0.00 -0.06 0.00 0.00 31.44 30.52 1upf n GLU 23 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1upf h SER 24 N 0.00 0.55 0.49 4.31 0.02 -2.00 0.18 113.55 117.10 1upf h SER 24 Ca 0.04 0.07 -0.26 0.00 -0.84 0.00 0.00 61.79 60.80 1upf h SER 24 Cb 0.10 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.63 1upf h SER 24 CO -0.24 0.18 -1.14 0.40 -1.14 0.00 0.00 176.83 174.89 1upf h ILE 25 N 0.52 1.45 0.77 3.27 1.08 0.51 -2.94 117.51 122.16 1upf h ILE 25 Ca 0.55 -2.79 -0.03 0.00 -0.39 0.00 0.00 64.86 62.19 1upf h ILE 25 Cb 1.19 2.74 -0.00 0.00 -3.07 0.00 0.00 36.82 37.68 1upf h ILE 25 CO -0.28 0.82 -0.48 -0.07 -0.69 0.00 0.00 178.15 177.44 1upf h LEU 26 N 0.14 -1.23 -1.12 1.44 -0.00 0.61 -2.72 115.31 112.43 1upf h LEU 26 Ca -0.12 0.07 0.15 0.00 -0.00 0.00 0.00 57.88 57.98 1upf h LEU 26 Cb 1.83 0.36 -0.09 0.00 -0.00 0.00 0.00 40.66 42.76 1upf h LEU 26 CO 0.19 -0.74 0.61 -0.61 -0.00 0.00 0.00 178.44 177.90 1upf h GLN 27 N -1.18 0.79 -0.35 1.13 5.75 -1.13 -1.17 115.11 118.95 1upf h GLN 27 Ca -0.10 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.25 1upf h GLN 27 Cb 0.94 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.30 1upf h GLN 27 CO 0.10 0.52 -0.17 0.22 -2.65 0.00 0.00 178.83 176.85 1upf h ASP 28 N 0.82 0.65 -0.64 -0.69 3.58 -1.36 2.54 116.42 121.31 1upf h ASP 28 Ca 0.50 -0.20 -0.05 0.00 0.42 0.00 0.00 57.03 57.70 1upf h ASP 28 Cb 0.70 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.55 1upf h ASP 28 CO -0.27 0.83 0.19 0.40 -2.88 0.00 0.00 179.24 177.51 1upf h ILE 29 N 0.58 1.25 0.05 2.25 1.08 -0.95 0.19 117.51 121.96 1upf h ILE 29 Ca 0.09 -0.87 -0.00 0.00 -0.39 0.00 0.00 64.86 63.69 1upf h ILE 29 Cb 0.63 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 1upf h ILE 29 CO 0.04 0.33 -0.02 0.40 -0.69 0.00 0.00 178.15 178.21 1upf h ILE 30 N 0.93 1.23 0.00 -0.67 2.04 -0.19 0.99 117.51 121.85 1upf h ILE 30 Ca 0.21 -0.93 -0.10 0.00 1.00 0.00 0.00 64.86 65.03 1upf h ILE 30 Cb 0.31 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1upf h ILE 30 CO -0.00 0.23 -0.48 0.00 0.00 0.00 0.00 178.15 177.89 1upf h THR 31 N -0.48 1.20 -0.17 -0.27 1.03 0.44 -3.32 112.91 111.34 1upf h THR 31 Ca -0.01 -1.74 -0.15 0.00 -0.01 0.00 0.00 66.41 64.50 1upf h THR 31 Cb 0.43 1.98 0.00 0.00 -1.07 0.00 0.00 68.15 69.49 1upf h THR 31 CO 0.01 0.47 -0.49 -0.09 -0.01 0.00 0.00 175.52 175.42 1upf h ARG 32 N 0.00 0.64 -4.09 0.00 9.65 -0.26 -3.41 114.38 116.91 1upf h ARG 32 Ca -0.00 -0.45 -0.64 0.00 -1.10 0.00 0.00 59.98 57.78 1upf h ARG 32 Cb 0.94 0.07 -0.40 0.00 -1.39 0.00 0.00 29.97 29.19 1upf h ARG 32 CO 0.06 1.07 -0.71 -0.06 2.80 0.00 0.00 179.97 183.14 1upf s PHE 33 N -3.92 3.19 0.04 2.20 0.08 0.34 -4.91 117.98 115.00 1upf s PHE 33 Ca -0.12 -2.81 0.21 0.00 0.12 0.00 0.00 56.93 54.33 1upf s PHE 33 Cb 0.07 -2.64 1.17 0.00 -0.57 0.00 0.00 43.02 41.05 1upf s PHE 33 CO 0.84 -0.88 1.62 -1.00 -0.10 0.00 0.00 175.22 175.70 1upf h PRO 34 N 7.36 0.00 -0.02 0.24 0.13 -1.80 -1.39 132.00 136.52 1upf h PRO 34 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1upf h PRO 34 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1upf h PRO 34 CO 0.55 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.41 1upf n ASN 35 N -2.32 0.49 -4.59 1.44 4.13 -1.26 -4.82 115.26 108.33 1upf n ASN 35 Ca -0.01 -1.31 -0.33 0.00 1.68 0.00 0.00 54.58 54.61 1upf n ASN 35 Cb 0.17 -0.01 -0.11 0.00 -1.54 0.00 0.00 39.78 38.29 1upf n ASN 35 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1upf s VAL 36 N -1.97 3.68 -0.12 2.41 0.11 -0.52 -2.09 120.40 121.89 1upf s VAL 36 Ca 0.38 -0.68 -0.00 0.00 -2.93 0.00 0.00 61.98 58.76 1upf s VAL 36 Cb 0.18 -2.57 -0.02 0.00 -1.53 0.00 0.00 36.38 32.45 1upf s VAL 36 CO 0.30 0.46 -0.12 0.68 -3.33 0.00 0.00 175.10 173.09 1upf s VAL 37 N -0.94 3.14 -0.26 2.04 -7.23 0.48 -4.97 120.40 112.67 1upf s VAL 37 Ca 0.16 -0.64 -0.12 0.00 -1.81 0.00 0.00 61.98 59.57 1upf s VAL 37 Cb -0.11 -2.31 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 1upf s VAL 37 CO 0.06 0.53 0.24 -0.22 -0.31 0.00 0.00 175.10 175.39 1upf s LEU 38 N 0.20 4.06 0.28 1.32 2.96 -1.26 -1.13 118.68 125.11 1upf s LEU 38 Ca -0.07 0.13 -0.30 0.00 -0.22 0.00 0.00 54.13 53.67 1upf s LEU 38 Cb -0.15 -2.21 -0.11 0.00 0.50 0.00 0.00 46.19 44.22 1upf s LEU 38 CO 0.05 -0.04 1.51 -0.32 -1.32 0.00 0.00 176.35 176.22 1upf s MET 39 N 1.57 4.19 -0.07 1.98 -2.45 0.17 -4.86 119.30 119.84 1upf s MET 39 Ca 0.10 2.45 -0.36 0.00 -1.25 0.00 0.00 55.69 56.62 1upf s MET 39 Cb -0.15 -3.06 -0.14 0.00 1.25 0.00 0.00 34.83 32.73 1upf s MET 39 CO 0.09 -0.52 1.68 0.36 1.05 0.00 0.00 175.02 177.68 1upf n LYS 40 N 2.02 1.67 -1.82 4.11 2.85 -1.26 -4.87 118.16 120.85 1upf n LYS 40 Ca 0.07 0.61 -0.42 0.00 -1.05 0.00 0.00 58.31 57.51 1upf n LYS 40 Cb 0.39 -2.35 0.00 0.00 -0.65 0.00 0.00 35.03 32.42 1upf n LYS 40 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1upf n GLN 41 N 4.86 2.92 -1.78 -1.58 1.13 -1.26 -4.85 117.38 116.82 1upf n GLN 41 Ca 0.22 -2.70 -0.30 0.00 -1.94 0.00 0.00 57.00 52.28 1upf n GLN 41 Cb 0.22 -3.28 0.07 0.00 0.11 0.00 0.00 30.24 27.36 1upf n GLN 41 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1upf s THR 42 N 3.10 3.00 0.25 5.09 -4.23 -1.26 -4.86 115.64 116.73 1upf s THR 42 Ca 0.47 0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 61.27 1upf s THR 42 Cb 0.13 -3.24 0.13 0.00 1.34 0.00 0.00 72.50 70.87 1upf s THR 42 CO -0.07 -0.43 1.78 0.00 -0.54 0.00 0.00 174.62 175.36 1upf h ALA 43 N -0.90 1.10 0.01 3.99 0.00 -1.99 -1.66 119.26 119.81 1upf h ALA 43 Ca -0.46 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 1upf h ALA 43 Cb 1.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1upf h ALA 43 CO 0.63 0.60 -0.00 1.96 0.00 0.00 0.00 179.25 182.43 1upf h GLN 44 N 0.89 -0.01 -0.26 0.00 1.08 -1.98 0.83 115.11 115.67 1upf h GLN 44 Ca 0.19 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.42 1upf h GLN 44 Cb 0.35 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 1upf h GLN 44 CO 0.00 0.13 0.05 1.25 -0.95 0.00 0.00 178.83 179.32 1upf h LEU 45 N -0.15 0.02 -0.56 1.46 6.46 -1.82 -0.02 115.31 120.70 1upf h LEU 45 Ca -0.00 0.04 0.08 0.00 -0.12 0.00 0.00 57.88 57.87 1upf h LEU 45 Cb 0.15 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.06 1upf h LEU 45 CO 0.00 0.05 0.22 -0.09 -0.62 0.00 0.00 178.44 178.00 1upf h ARG 46 N 0.15 0.41 -0.98 1.25 9.65 -1.17 0.86 114.38 124.56 1upf h ARG 46 Ca 0.12 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.03 1upf h ARG 46 Cb 0.12 -0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.54 1upf h ARG 46 CO -0.15 0.27 0.63 0.00 2.80 0.00 0.00 179.97 183.52 1upf h ALA 47 N 1.36 1.42 -0.38 2.80 0.00 0.83 0.19 119.26 125.48 1upf h ALA 47 Ca 0.27 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1upf h ALA 47 Cb 0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1upf h ALA 47 CO -0.25 0.44 0.05 0.52 0.00 0.00 0.00 179.25 180.00 1upf h MET 48 N 1.15 0.63 -0.39 0.00 2.86 0.56 -1.62 114.93 118.13 1upf h MET 48 Ca 0.41 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 1upf h MET 48 Cb 0.14 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1upf h MET 48 CO -0.16 0.70 0.15 1.98 1.06 0.00 0.00 176.91 180.64 1upf h MET 49 N 0.47 0.55 0.02 1.72 -1.53 0.18 -0.99 114.93 115.36 1upf h MET 49 Ca 0.11 -0.07 -0.00 0.00 -3.44 0.00 0.00 59.70 56.30 1upf h MET 49 Cb 0.39 -0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.33 1upf h MET 49 CO 0.01 0.47 -0.01 0.00 0.14 0.00 0.00 176.91 177.51 1upf h THR 50 N 0.55 1.10 -0.14 -0.77 1.03 0.26 0.14 112.91 115.08 1upf h THR 50 Ca 0.13 -0.39 0.03 0.00 -0.01 0.00 0.00 66.41 66.18 1upf h THR 50 Cb 0.13 1.36 -0.03 0.00 -1.07 0.00 0.00 68.15 68.54 1upf h THR 50 CO -0.01 0.10 -0.06 0.40 -0.01 0.00 0.00 175.52 175.94 1upf h ILE 51 N -0.20 0.81 -0.81 0.00 2.04 -1.05 -1.30 117.51 117.00 1upf h ILE 51 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1upf h ILE 51 Cb 0.19 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1upf h ILE 51 CO 0.01 0.00 0.51 0.40 0.00 0.00 0.00 178.15 179.07 1upf h ILE 52 N -0.03 1.22 -0.31 -0.67 1.08 -1.03 -2.92 117.51 114.85 1upf h ILE 52 Ca 0.07 -0.45 -0.14 0.00 -0.39 0.00 0.00 64.86 63.95 1upf h ILE 52 Cb 0.15 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 33.94 1upf h ILE 52 CO -0.16 0.22 -0.39 0.03 -0.69 0.00 0.00 178.15 177.15 1upf h ARG 53 N 1.11 0.73 -6.39 2.37 3.08 -0.03 -3.45 114.38 111.81 1upf h ARG 53 Ca 0.29 -0.38 -0.61 0.00 0.07 0.00 0.00 59.98 59.36 1upf h ARG 53 Cb -0.08 0.01 0.04 0.00 0.08 0.00 0.00 29.97 30.02 1upf h ARG 53 CO -0.06 1.00 0.89 -3.47 -1.07 0.00 0.00 179.97 177.26 1upf n ASP 54 N -4.04 3.10 0.09 7.04 -0.08 -0.56 -4.85 116.55 117.25 1upf n ASP 54 Ca -0.02 1.04 -0.01 0.00 -1.51 0.00 0.00 54.79 54.30 1upf n ASP 54 Cb 0.53 -1.38 0.27 0.00 2.34 0.00 0.00 41.12 42.88 1upf n ASP 54 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1upf h LYS 55 N 7.12 0.27 0.00 -0.67 1.57 -1.88 -2.21 116.57 120.78 1upf h LYS 55 Ca -0.47 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1upf h LYS 55 Cb 1.27 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1upf h LYS 55 CO 0.91 0.56 0.00 0.39 -0.57 0.00 0.00 179.45 180.74 1upf n GLU 56 N -4.11 0.02 -2.27 3.15 4.71 -1.26 -4.76 120.64 116.12 1upf n GLU 56 Ca -0.01 0.37 -0.43 0.00 -0.01 0.00 0.00 57.16 57.08 1upf n GLU 56 Cb 0.41 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.31 1upf n GLU 56 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1upf s THR 57 N -2.92 3.82 0.76 2.62 2.01 -0.83 -4.99 115.64 116.10 1upf s THR 57 Ca 0.03 0.85 -0.16 0.00 0.31 0.00 0.00 61.69 62.72 1upf s THR 57 Cb 0.04 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 1upf s THR 57 CO 0.10 -0.63 0.38 -0.81 -0.69 0.00 0.00 174.62 172.97 1upf n PRO 58 N 8.07 0.18 -0.18 4.92 -0.05 -1.26 -4.64 135.00 142.03 1upf n PRO 58 Ca 0.18 0.10 -0.07 0.00 -0.05 0.00 0.00 63.50 63.66 1upf n PRO 58 Cb 0.47 -1.73 0.02 0.00 -0.05 0.00 0.00 33.50 32.22 1upf n PRO 58 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 175.50 177.02 1upf h LYS 59 N -0.56 0.71 -0.44 0.54 2.10 -1.94 -1.35 116.57 115.63 1upf h LYS 59 Ca -0.45 -0.06 0.07 0.00 -2.00 0.00 0.00 60.65 58.22 1upf h LYS 59 Cb 1.34 -0.15 -0.06 0.00 -0.90 0.00 0.00 32.23 32.46 1upf h LYS 59 CO 0.40 0.50 0.07 1.05 -2.00 0.00 0.00 179.45 179.47 1upf h GLU 60 N 0.71 0.19 0.41 0.07 9.09 -1.96 -0.89 114.58 122.19 1upf h GLU 60 Ca 0.19 -0.01 -0.02 0.00 0.05 0.00 0.00 59.36 59.57 1upf h GLU 60 Cb -0.03 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.03 1upf h GLU 60 CO -0.04 0.12 -0.20 0.93 0.05 0.00 0.00 179.01 179.88 1upf h GLU 61 N 0.19 -0.53 -0.76 1.06 4.39 -1.87 -2.71 114.58 114.35 1upf h GLU 61 Ca 0.22 0.04 0.18 0.00 0.34 0.00 0.00 59.36 60.13 1upf h GLU 61 Cb 0.29 0.12 -0.13 0.00 -0.10 0.00 0.00 28.75 28.93 1upf h GLU 61 CO -0.30 -0.26 0.05 0.35 -1.16 0.00 0.00 179.01 177.69 1upf h PHE 62 N -0.73 0.04 0.01 4.33 3.04 -1.03 -1.26 116.94 121.34 1upf h PHE 62 Ca -0.06 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1upf h PHE 62 Cb 0.51 0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.12 1upf h PHE 62 CO -0.01 -0.21 -0.01 0.28 -2.02 0.00 0.00 178.31 176.34 1upf h VAL 63 N 0.14 1.14 -0.25 1.41 2.07 -1.11 -0.53 116.25 119.12 1upf h VAL 63 Ca 0.42 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1upf h VAL 63 Cb 0.76 1.44 -0.08 0.00 -1.52 0.00 0.00 31.29 31.89 1upf h VAL 63 CO -0.64 0.12 -0.35 0.15 0.02 0.00 0.00 177.57 176.87 1upf h PHE 64 N -0.21 -0.99 -0.16 1.57 3.57 -0.94 0.41 116.94 120.19 1upf h PHE 64 Ca -0.00 0.05 -0.17 0.00 3.53 0.00 0.00 57.97 61.38 1upf h PHE 64 Cb 0.21 0.47 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1upf h PHE 64 CO -0.01 -0.41 -0.61 1.88 -2.23 0.00 0.00 178.31 176.93 1upf h TYR 65 N -0.36 0.69 -0.90 0.41 0.05 -1.29 -1.38 116.97 114.18 1upf h TYR 65 Ca 0.12 -0.26 0.05 0.00 0.05 0.00 0.00 58.73 58.69 1upf h TYR 65 Cb 0.56 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 38.12 1upf h TYR 65 CO -0.49 1.01 0.57 0.00 -1.05 0.00 0.00 178.16 178.21 1upf h ALA 66 N 0.93 1.22 -0.26 3.88 0.00 -0.63 0.38 119.26 124.78 1upf h ALA 66 Ca -0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1upf h ALA 66 Cb 1.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1upf h ALA 66 CO 0.11 0.38 -0.35 -0.44 0.00 0.00 0.00 179.25 178.95 1upf h ASP 67 N 1.08 0.58 0.07 0.00 5.19 0.04 -0.93 116.42 122.45 1upf h ASP 67 Ca 0.38 -0.24 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1upf h ASP 67 Cb 0.09 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.44 1upf h ASP 67 CO -0.15 0.89 -0.04 -0.09 -3.12 0.00 0.00 179.24 176.73 1upf h ARG 68 N 0.47 -0.10 -0.18 3.56 1.12 0.03 -2.50 114.38 116.79 1upf h ARG 68 Ca 0.05 0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.91 1upf h ARG 68 Cb 0.83 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.81 1upf h ARG 68 CO 0.07 0.03 0.05 1.25 -3.11 0.00 0.00 179.97 178.26 1upf h LEU 69 N -0.20 0.27 -0.77 3.80 5.85 -0.19 -3.07 115.31 121.00 1upf h LEU 69 Ca -0.01 -0.23 0.14 0.00 0.84 0.00 0.00 57.88 58.62 1upf h LEU 69 Cb 0.17 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 1upf h LEU 69 CO 0.02 0.43 0.34 0.40 -0.34 0.00 0.00 178.44 179.29 1upf h ILE 70 N 0.10 0.69 -0.40 4.05 2.04 -1.06 0.08 117.51 123.01 1upf h ILE 70 Ca 0.06 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.79 1upf h ILE 70 Cb 0.26 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1upf h ILE 70 CO 0.00 0.09 0.15 -0.09 0.00 0.00 0.00 178.15 178.31 1upf h ARG 71 N 0.50 0.31 -0.54 2.37 1.12 -1.36 0.02 114.38 116.81 1upf h ARG 71 Ca 0.42 -0.02 0.02 0.00 -1.11 0.00 0.00 59.98 59.29 1upf h ARG 71 Cb 0.61 -0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 30.46 1upf h ARG 71 CO -0.38 0.21 0.33 -0.07 -3.11 0.00 0.00 179.97 176.95 1upf h LEU 72 N 0.32 0.54 -0.58 3.80 4.07 -0.97 0.01 115.31 122.50 1upf h LEU 72 Ca 0.18 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.16 1upf h LEU 72 Cb 0.15 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 1upf h LEU 72 CO -0.18 0.38 0.37 0.25 -1.08 0.00 0.00 178.44 178.18 1upf h LEU 73 N 0.65 0.61 -0.36 1.67 5.85 -0.58 -0.85 115.31 122.30 1upf h LEU 73 Ca 0.22 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1upf h LEU 73 Cb 0.01 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1upf h LEU 73 CO -0.09 0.43 0.08 0.40 -0.34 0.00 0.00 178.44 178.92 1upf h ILE 74 N 0.73 1.23 -0.87 4.05 1.08 -0.68 -0.29 117.51 122.76 1upf h ILE 74 Ca 0.23 -0.78 0.03 0.00 -0.39 0.00 0.00 64.86 63.95 1upf h ILE 74 Cb -0.02 1.05 -0.05 0.00 -3.07 0.00 0.00 36.82 34.73 1upf h ILE 74 CO -0.08 0.26 0.57 -0.33 -0.69 0.00 0.00 178.15 177.89 1upf h GLU 75 N 0.43 1.06 -0.37 2.37 4.39 -0.51 0.16 114.58 122.12 1upf h GLU 75 Ca 0.11 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 1upf h GLU 75 Cb 0.31 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1upf h GLU 75 CO 0.00 0.70 0.02 1.49 -1.16 0.00 0.00 179.01 180.06 1upf h GLU 76 N 1.09 0.64 -0.62 2.33 4.57 -0.73 -2.99 114.58 118.88 1upf h GLU 76 Ca 0.35 -0.20 -0.08 0.00 -1.18 0.00 0.00 59.36 58.25 1upf h GLU 76 Cb 0.02 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 1upf h GLU 76 CO -0.10 0.74 0.08 0.00 -1.18 0.00 0.00 179.01 178.55 1upf h ALA 77 N 0.88 0.97 0.00 2.92 0.00 0.17 -0.87 119.26 123.33 1upf h ALA 77 Ca 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1upf h ALA 77 Cb 0.44 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1upf h ALA 77 CO 0.02 0.64 0.22 1.28 0.00 0.00 0.00 179.25 181.41 1upf n LEU 78 N -4.21 0.31 0.00 0.00 4.77 0.45 0.62 117.00 118.95 1upf n LEU 78 Ca 0.04 0.55 0.14 0.00 -0.03 0.00 0.00 56.01 56.71 1upf n LEU 78 Cb 0.29 -0.53 0.77 0.00 -2.33 0.00 0.00 43.42 41.63 1upf n LEU 78 CO 0.43 -0.66 1.00 0.59 -1.33 0.00 0.00 177.39 177.42 1upf n ASN 79 N -1.95 0.00 -0.15 -1.43 4.13 -0.33 -2.96 115.26 112.56 1upf n ASN 79 Ca -0.01 -0.41 0.13 0.00 1.68 0.00 0.00 54.58 55.97 1upf n ASN 79 Cb 0.24 -0.18 0.38 0.00 -1.54 0.00 0.00 39.78 38.68 1upf n ASN 79 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1upf n GLU 80 N -1.18 0.56 -1.11 3.52 -0.58 0.20 -4.86 120.64 117.19 1upf n GLU 80 Ca 0.17 -0.31 -0.29 0.00 -0.42 0.00 0.00 57.16 56.31 1upf n GLU 80 Cb 0.18 -1.49 0.18 0.00 -0.57 0.00 0.00 31.44 29.73 1upf n GLU 80 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1upf s LEU 81 N -2.66 1.62 0.19 -4.62 2.01 -1.16 -5.02 118.68 109.05 1upf s LEU 81 Ca 0.21 1.27 0.01 0.00 0.01 0.00 0.00 54.13 55.62 1upf s LEU 81 Cb 0.19 -3.46 -0.04 0.00 0.01 0.00 0.00 46.19 42.89 1upf s LEU 81 CO 0.57 -3.18 0.36 -2.84 1.01 0.00 0.00 176.35 172.26 1upf s PRO 82 N -4.91 3.48 0.07 1.29 0.02 -1.26 -5.11 135.00 128.58 1upf s PRO 82 Ca 0.65 -0.47 -0.08 0.00 0.02 0.00 0.00 61.00 61.12 1upf s PRO 82 Cb -0.19 -2.88 -0.00 0.00 0.02 0.00 0.00 34.50 31.44 1upf s PRO 82 CO 0.58 0.44 0.18 -0.59 -0.33 0.00 0.00 177.00 177.27 1upf s PHE 83 N -1.85 0.13 0.35 6.54 -0.12 -1.26 -4.14 117.98 117.63 1upf s PHE 83 Ca 0.37 -0.48 0.08 0.00 -0.05 0.00 0.00 56.93 56.85 1upf s PHE 83 Cb -0.11 -0.07 -0.05 0.00 -0.63 0.00 0.00 43.02 42.16 1upf s PHE 83 CO 0.29 -0.48 0.08 -1.14 -0.05 0.00 0.00 175.22 173.92 1upf s GLN 84 N -3.30 2.19 0.10 1.99 2.00 -0.35 -4.94 119.66 117.35 1upf s GLN 84 Ca 0.01 -1.71 -0.21 0.00 -2.00 0.00 0.00 55.36 51.44 1upf s GLN 84 Cb 0.02 -2.00 -0.07 0.00 0.80 0.00 0.00 33.01 31.76 1upf s GLN 84 CO -0.08 0.08 0.64 0.21 -0.50 0.00 0.00 175.29 175.64 1upf s LYS 85 N -3.79 4.32 0.01 1.67 2.20 -1.26 -1.49 119.74 121.41 1upf s LYS 85 Ca 0.37 0.87 0.04 0.00 -0.36 0.00 0.00 55.97 56.89 1upf s LYS 85 Cb 0.00 -3.25 -0.01 0.00 -1.51 0.00 0.00 37.83 33.06 1upf s LYS 85 CO 0.21 0.61 -0.12 0.21 -0.36 0.00 0.00 175.35 175.90 1upf s LYS 86 N -1.11 0.89 -0.04 4.03 2.20 0.74 -4.77 119.74 121.68 1upf s LYS 86 Ca 0.31 -0.53 0.07 0.00 -0.36 0.00 0.00 55.97 55.46 1upf s LYS 86 Cb -0.21 -0.86 -0.01 0.00 -1.51 0.00 0.00 37.83 35.24 1upf s LYS 86 CO 0.21 0.23 -0.25 -2.00 -0.36 0.00 0.00 175.35 173.18 1upf s GLU 87 N -0.60 2.35 0.31 4.03 2.12 -1.26 0.36 118.70 126.00 1upf s GLU 87 Ca 0.03 -0.89 0.03 0.00 0.36 0.00 0.00 54.97 54.50 1upf s GLU 87 Cb -0.06 -2.07 -0.04 0.00 0.26 0.00 0.00 34.13 32.22 1upf s GLU 87 CO 0.00 0.43 0.14 0.14 -0.54 0.00 0.00 175.26 175.43 1upf s VAL 88 N -0.29 0.42 -0.10 3.70 -7.23 0.21 -4.94 120.40 112.17 1upf s VAL 88 Ca 0.01 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 1upf s VAL 88 Cb -0.12 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.29 1upf s VAL 88 CO 0.02 0.00 -0.20 0.42 -0.31 0.00 0.00 175.10 175.03 1upf s THR 89 N -3.58 1.83 1.14 5.32 -4.23 -1.26 0.20 115.64 115.07 1upf s THR 89 Ca 0.35 -0.87 -0.14 0.00 -1.18 0.00 0.00 61.69 59.85 1upf s THR 89 Cb 0.05 -1.61 0.27 0.00 1.34 0.00 0.00 72.50 72.55 1upf s THR 89 CO 0.17 0.51 1.04 -0.89 -0.54 0.00 0.00 174.62 174.91 1upf s THR 90 N 0.57 1.94 -0.69 3.99 2.01 -0.22 -4.88 115.64 118.37 1upf s THR 90 Ca -0.14 0.00 0.25 0.00 0.31 0.00 0.00 61.69 62.11 1upf s THR 90 Cb -0.17 -2.21 0.26 0.00 0.01 0.00 0.00 72.50 70.39 1upf s THR 90 CO 0.05 0.00 1.76 -2.65 -0.69 0.00 0.00 174.62 173.08 1upf n PRO 91 N -4.77 0.21 0.00 4.92 -0.02 -1.26 -0.86 135.00 133.22 1upf n PRO 91 Ca 0.04 0.26 0.15 0.00 -2.02 0.00 0.00 63.50 61.93 1upf n PRO 91 Cb 0.56 -1.79 0.72 0.00 -0.02 0.00 0.00 33.50 32.97 1upf n PRO 91 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1upf n LEU 92 N -2.15 0.62 -2.90 2.45 4.32 -1.26 -4.92 117.00 113.15 1upf n LEU 92 Ca 0.05 -0.16 -0.18 0.00 -0.02 0.00 0.00 56.01 55.70 1upf n LEU 92 Cb 0.35 -0.05 0.06 0.00 -1.62 0.00 0.00 43.42 42.16 1upf n LEU 92 CO 0.26 0.10 0.18 0.47 -1.22 0.00 0.00 177.39 177.18 1upf n ASP 93 N -0.60 -4.83 -4.43 -1.43 8.00 -0.04 -5.03 116.55 108.19 1upf n ASP 93 Ca 0.20 -0.43 -0.21 0.00 0.71 0.00 0.00 54.79 55.05 1upf n ASP 93 Cb 0.23 -4.04 -0.10 0.00 -0.02 0.00 0.00 41.12 37.19 1upf n ASP 93 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1upf s VAL 94 N -3.25 1.73 -0.16 2.53 0.11 -1.26 -4.92 120.40 115.18 1upf s VAL 94 Ca 0.38 -2.15 -0.12 0.00 -2.93 0.00 0.00 61.98 57.16 1upf s VAL 94 Cb -0.17 -2.42 -0.05 0.00 -1.53 0.00 0.00 36.38 32.22 1upf s VAL 94 CO 0.57 -0.32 0.23 -0.44 -3.33 0.00 0.00 175.10 171.81 1upf s SER 95 N -3.45 6.39 -0.04 3.54 0.01 -1.26 -1.06 113.70 117.83 1upf s SER 95 Ca 0.29 0.45 0.06 0.00 1.31 0.00 0.00 55.95 58.06 1upf s SER 95 Cb 0.03 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 64.09 1upf s SER 95 CO 0.12 0.18 -0.21 -0.47 0.41 0.00 0.00 173.24 173.26 1upf s TYR 96 N 0.13 2.49 -0.30 2.43 5.04 0.54 -4.95 117.35 122.74 1upf s TYR 96 Ca 0.14 -0.41 -0.09 0.00 -2.44 0.00 0.00 57.07 54.28 1upf s TYR 96 Cb -0.13 -1.58 -0.01 0.00 0.35 0.00 0.00 41.96 40.60 1upf s TYR 96 CO 0.03 -0.00 0.12 -1.01 -1.34 0.00 0.00 175.55 173.35 1upf s HIS 97 N -0.53 3.16 0.00 4.97 3.76 -1.26 0.65 115.29 126.04 1upf s HIS 97 Ca 0.07 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.39 1upf s HIS 97 Cb -0.11 -2.31 0.00 0.00 1.11 0.00 0.00 32.58 31.26 1upf s HIS 97 CO 0.01 -0.45 0.00 0.41 -0.85 0.00 0.00 174.74 173.86 1upf n GLY 98 N 4.95 5.43 3.32 -2.22 0.00 1.12 -4.95 105.19 112.84 1upf n GLY 98 Ca -0.14 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 1upf n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1upf s VAL 99 N 1.15 0.06 0.03 1.61 -7.23 -1.24 0.26 120.40 115.05 1upf s VAL 99 Ca 0.00 -1.50 -0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1upf s VAL 99 Cb 0.00 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 1upf s VAL 99 CO 0.00 -0.28 -0.03 -0.55 -0.31 0.00 0.00 175.10 173.93 1upf s SER 100 N -2.99 0.36 -0.20 4.85 0.15 -0.55 -4.69 113.70 110.63 1upf s SER 100 Ca 0.20 -0.66 -0.06 0.00 0.70 0.00 0.00 55.95 56.14 1upf s SER 100 Cb 0.04 0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.45 1upf s SER 100 CO 0.02 -0.39 0.02 -0.36 1.20 0.00 0.00 173.24 173.73 1upf s PHE 101 N -2.21 3.07 -0.39 3.44 0.40 -1.26 -1.21 117.98 119.81 1upf s PHE 101 Ca -0.08 -0.37 0.10 0.00 -0.60 0.00 0.00 56.93 55.98 1upf s PHE 101 Cb -0.04 -2.09 -0.11 0.00 0.51 0.00 0.00 43.02 41.28 1upf s PHE 101 CO -0.04 -0.19 0.38 2.48 0.70 0.00 0.00 175.22 178.56 1upf n TYR 102 N 4.19 0.00 -1.73 0.36 4.11 -1.26 -5.03 117.16 117.79 1upf n TYR 102 Ca -0.17 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.36 1upf n TYR 102 Cb 0.52 -0.03 0.07 0.00 -0.00 0.00 0.00 39.34 39.89 1upf n TYR 102 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1upf n SER 103 N -1.32 2.16 -4.75 9.48 7.64 -1.26 -5.01 113.62 120.55 1upf n SER 103 Ca 0.01 0.85 -0.37 0.00 1.01 0.00 0.00 58.87 60.37 1upf n SER 103 Cb 0.17 -1.56 -0.06 0.00 -1.01 0.00 0.00 64.21 61.74 1upf n SER 103 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1upf s LYS 104 N -3.31 4.21 0.28 1.43 -0.14 -1.26 -5.01 119.74 115.94 1upf s LYS 104 Ca 0.81 0.34 0.06 0.00 -1.36 0.00 0.00 55.97 55.82 1upf s LYS 104 Cb -0.39 -3.38 -0.02 0.00 -1.68 0.00 0.00 37.83 32.37 1upf s LYS 104 CO 0.41 0.31 0.20 0.44 -0.76 0.00 0.00 175.35 175.96 1upf n ILE 105 N 3.18 0.00 -3.63 2.17 -5.35 -1.26 -1.75 119.36 112.72 1upf n ILE 105 Ca -0.10 -1.94 -0.05 0.00 -0.27 0.00 0.00 62.75 60.39 1upf n ILE 105 Cb 0.52 0.91 -0.02 0.00 -1.74 0.00 0.00 39.64 39.31 1upf n ILE 105 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1upf s GLY 107 N -2.70 1.45 -0.08 0.00 0.00 -0.74 -1.57 107.32 103.67 1upf s GLY 107 Ca 0.09 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.79 1upf s GLY 107 CO -0.03 -0.86 -0.15 0.14 0.00 0.00 0.00 173.10 172.20 1upf s VAL 108 N -0.71 1.36 0.04 1.40 1.01 -0.10 0.05 120.40 123.44 1upf s VAL 108 Ca 0.11 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.54 1upf s VAL 108 Cb -0.10 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1upf s VAL 108 CO 0.00 0.41 -0.08 -0.94 0.00 0.00 0.00 175.10 174.49 1upf s SER 109 N 0.69 4.55 -0.38 3.32 1.04 -0.20 -0.09 113.70 122.63 1upf s SER 109 Ca -0.14 -0.23 -0.17 0.00 0.48 0.00 0.00 55.95 55.90 1upf s SER 109 Cb -0.16 -1.00 0.00 0.00 0.10 0.00 0.00 66.02 64.97 1upf s SER 109 CO 0.04 0.24 0.44 -0.63 0.98 0.00 0.00 173.24 174.31 1upf s ILE 110 N -1.08 5.09 0.25 -1.02 1.01 -1.13 -0.51 121.20 123.80 1upf s ILE 110 Ca 0.19 -0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.51 1upf s ILE 110 Cb -0.11 -3.95 -0.10 0.00 0.01 0.00 0.00 42.46 38.31 1upf s ILE 110 CO 0.10 -0.27 1.39 -0.69 0.00 0.00 0.00 174.94 175.48 1upf s VAL 111 N 2.19 2.80 -0.08 2.92 1.01 0.18 -1.38 120.40 128.04 1upf s VAL 111 Ca 0.14 0.68 0.09 0.00 0.00 0.00 0.00 61.98 62.89 1upf s VAL 111 Cb -0.16 -3.43 -0.13 0.00 0.00 0.00 0.00 36.38 32.65 1upf s VAL 111 CO 0.13 0.11 0.09 -2.11 0.00 0.00 0.00 175.10 173.32 1upf n ARG 112 N 2.20 1.81 -0.21 2.72 1.85 -1.26 -4.55 116.66 119.23 1upf n ARG 112 Ca 0.06 -0.03 0.28 0.00 -1.00 0.00 0.00 57.85 57.16 1upf n ARG 112 Cb 0.41 -1.26 0.70 0.00 -1.05 0.00 0.00 32.46 31.26 1upf n ARG 112 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1upf h ALA 113 N 0.63 2.80 0.00 2.89 0.00 -1.92 0.67 119.26 124.33 1upf h ALA 113 Ca -0.20 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1upf h ALA 113 Cb 1.31 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1upf h ALA 113 CO 0.01 -1.08 -0.48 0.78 0.00 0.00 0.00 179.25 178.47 1upf h GLY 114 N 0.05 0.00 0.63 0.00 0.00 -1.42 -3.09 103.07 99.24 1upf h GLY 114 Ca 0.46 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.96 1upf h GLY 114 CO -0.03 0.00 0.51 0.83 0.00 0.00 0.00 176.54 177.84 1upf h GLU 115 N 0.00 0.27 0.00 4.80 5.08 0.24 -1.48 114.58 123.49 1upf h GLU 115 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1upf h GLU 115 Cb 0.94 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1upf h GLU 115 CO 0.06 0.18 0.00 -1.13 -1.00 0.00 0.00 179.01 177.12 1upf n SER 116 N -4.44 0.34 0.07 1.42 3.41 -1.17 -1.83 113.62 111.42 1upf n SER 116 Ca 0.15 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.51 1upf n SER 116 Cb 0.62 -0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 63.82 1upf n SER 116 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1upf n MET 117 N -1.94 0.62 -0.15 4.33 2.81 -0.56 -4.36 117.12 117.87 1upf n MET 117 Ca -0.00 0.02 -0.04 0.00 -1.81 0.00 0.00 57.70 55.87 1upf n MET 117 Cb 0.06 -1.73 0.03 0.00 -0.71 0.00 0.00 33.22 30.86 1upf n MET 117 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1upf h GLU 118 N 0.00 -0.06 -0.09 0.03 5.08 -1.49 -1.26 114.58 116.80 1upf h GLU 118 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1upf h GLU 118 Cb 1.00 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.20 1upf h GLU 118 CO 0.00 -0.04 -0.36 0.66 -1.00 0.00 0.00 179.01 178.27 1upf h SER 119 N -0.06 -1.10 -0.78 1.42 4.64 -1.76 1.09 113.55 117.01 1upf h SER 119 Ca 0.23 0.15 0.12 0.00 -0.47 0.00 0.00 61.79 61.82 1upf h SER 119 Cb 0.42 0.45 -0.08 0.00 -0.31 0.00 0.00 62.40 62.88 1upf h SER 119 CO -0.53 -0.39 0.39 1.23 -0.87 0.00 0.00 176.83 176.65 1upf h GLY 120 N -0.46 1.20 1.17 -0.77 0.00 -1.66 0.66 103.07 103.21 1upf h GLY 120 Ca 0.08 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 1upf h GLY 120 CO -0.34 0.02 0.05 -2.00 0.00 0.00 0.00 176.54 174.27 1upf h LEU 121 N 0.62 0.97 -0.51 3.11 5.85 0.01 -2.63 115.31 122.74 1upf h LEU 121 Ca 0.40 -0.24 -0.12 0.00 0.84 0.00 0.00 57.88 58.76 1upf h LEU 121 Cb 0.49 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1upf h LEU 121 CO -0.31 1.00 -0.56 0.03 -0.34 0.00 0.00 178.44 178.26 1upf h ARG 122 N 0.93 0.00 0.00 1.25 2.47 0.32 -1.88 114.38 117.48 1upf h ARG 122 Ca 0.18 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.85 1upf h ARG 122 Cb 0.47 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.79 1upf h ARG 122 CO 0.02 0.56 -0.21 0.00 0.56 0.00 0.00 179.97 180.90 1upf h ALA 123 N 1.44 1.37 0.00 0.04 0.00 0.61 -3.20 119.26 119.52 1upf h ALA 123 Ca -0.01 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 1upf h ALA 123 Cb 1.21 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1upf h ALA 123 CO 0.07 0.26 -2.00 1.33 0.00 0.00 0.00 179.25 178.91 1upf n VAL 124 N -3.88 0.76 -3.78 0.00 0.24 -1.20 -4.71 118.33 105.77 1upf n VAL 124 Ca -0.02 -0.59 -0.34 0.00 -2.04 0.00 0.00 64.34 61.36 1upf n VAL 124 Cb 0.30 -0.37 -0.10 0.00 -1.47 0.00 0.00 33.84 32.20 1upf n VAL 124 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1upf n ARG 126 N 2.88 0.99 -1.64 0.00 1.74 -1.22 -1.64 116.66 117.76 1upf n ARG 126 Ca 0.12 0.36 -0.21 0.00 -0.77 0.00 0.00 57.85 57.36 1upf n ARG 126 Cb 0.36 -2.00 -0.08 0.00 -1.02 0.00 0.00 32.46 29.71 1upf n ARG 126 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1upf n GLY 127 N 3.31 1.85 3.72 -0.13 0.00 -1.26 -4.96 105.19 107.72 1upf n GLY 127 Ca 0.23 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1upf n GLY 127 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1upf n VAL 128 N -2.48 1.76 -2.03 1.61 3.14 -0.65 -4.94 118.33 114.74 1upf n VAL 128 Ca -0.21 -0.44 -0.39 0.00 -2.96 0.00 0.00 64.34 60.34 1upf n VAL 128 Cb 0.68 -1.68 0.01 0.00 -1.06 0.00 0.00 33.84 31.79 1upf n VAL 128 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1upf s ARG 129 N -1.60 3.72 -0.10 1.45 0.52 -1.26 -4.91 118.95 116.77 1upf s ARG 129 Ca 0.57 2.09 -0.00 0.00 -0.52 0.00 0.00 55.73 57.87 1upf s ARG 129 Cb -0.55 -2.55 0.02 0.00 0.52 0.00 0.00 34.95 32.39 1upf s ARG 129 CO 0.60 -0.68 -0.07 0.42 0.02 0.00 0.00 175.30 175.59 1upf s ILE 130 N -1.34 0.94 0.20 1.52 1.01 -1.26 -1.80 121.20 120.47 1upf s ILE 130 Ca 0.62 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 61.05 1upf s ILE 130 Cb -0.36 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 1upf s ILE 130 CO 0.45 0.35 0.30 -0.83 0.00 0.00 0.00 174.94 175.21 1upf s GLY 131 N 1.59 1.48 -0.02 6.18 0.00 0.11 -4.82 107.32 111.84 1upf s GLY 131 Ca 0.02 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.60 1upf s GLY 131 CO -0.06 -1.17 -0.04 0.54 0.00 0.00 0.00 173.10 172.37 1upf s LYS 132 N -3.58 0.44 -0.08 2.90 1.02 -0.62 -1.04 119.74 118.78 1upf s LYS 132 Ca 0.34 -0.11 0.01 0.00 0.02 0.00 0.00 55.97 56.23 1upf s LYS 132 Cb -0.10 -0.47 0.02 0.00 -0.52 0.00 0.00 37.83 36.76 1upf s LYS 132 CO 0.28 0.02 -0.08 0.42 -0.92 0.00 0.00 175.35 175.07 1upf s ILE 133 N 0.29 0.92 -0.37 2.17 1.01 0.33 -1.61 121.20 123.93 1upf s ILE 133 Ca -0.03 -0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 1upf s ILE 133 Cb -0.06 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.51 1upf s ILE 133 CO -0.00 0.33 0.24 -0.22 0.00 0.00 0.00 174.94 175.28 1upf s LEU 134 N 1.21 4.75 -0.08 2.97 2.96 0.11 -0.64 118.68 129.95 1upf s LEU 134 Ca -0.05 -0.82 0.04 0.00 -0.22 0.00 0.00 54.13 53.08 1upf s LEU 134 Cb -0.14 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.45 1upf s LEU 134 CO -0.02 -0.36 -0.19 -0.63 -1.32 0.00 0.00 176.35 173.82 1upf s ILE 135 N 1.63 2.55 -0.12 6.68 1.01 -1.26 0.59 121.20 132.29 1upf s ILE 135 Ca 0.04 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.82 1upf s ILE 135 Cb -0.19 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.31 1upf s ILE 135 CO 0.08 0.56 -0.12 -1.58 0.00 0.00 0.00 174.94 173.89 1upf s GLN 136 N -0.12 1.96 0.11 2.79 2.00 0.19 -4.91 119.66 121.68 1upf s GLN 136 Ca -0.03 -0.44 -0.31 0.00 -2.00 0.00 0.00 55.36 52.58 1upf s GLN 136 Cb -0.14 -1.81 -0.09 0.00 0.80 0.00 0.00 33.01 31.77 1upf s GLN 136 CO 0.04 -0.18 1.51 0.50 -0.50 0.00 0.00 175.29 176.65 1upf s ARG 137 N 1.38 4.25 0.57 1.67 6.06 -1.26 0.19 118.95 131.81 1upf s ARG 137 Ca 0.01 2.22 -0.20 0.00 -2.50 0.00 0.00 55.73 55.25 1upf s ARG 137 Cb -0.13 -3.31 -0.05 0.00 0.06 0.00 0.00 34.95 31.51 1upf s ARG 137 CO -0.06 -0.57 1.15 -3.47 -2.50 0.00 0.00 175.30 169.85 1upf n ASP 138 N 4.42 1.67 -0.05 -2.12 -0.08 1.38 -4.83 116.55 116.95 1upf n ASP 138 Ca 0.13 0.89 -0.13 0.00 -1.51 0.00 0.00 54.79 54.18 1upf n ASP 138 Cb 0.41 -1.47 -0.07 0.00 2.34 0.00 0.00 41.12 42.32 1upf n ASP 138 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1upf h GLU 139 N 0.94 0.29 0.08 -0.67 5.08 -1.93 -2.73 114.58 115.63 1upf h GLU 139 Ca -0.49 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 57.72 1upf h GLU 139 Cb 1.34 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1upf h GLU 139 CO 0.54 0.66 -0.04 1.15 -1.00 0.00 0.00 179.01 180.32 1upf h THR 140 N -0.08 0.00 0.00 1.13 2.02 -1.97 -3.43 112.91 110.58 1upf h THR 140 Ca 0.02 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1upf h THR 140 Cb 0.59 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1upf h THR 140 CO 0.03 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.27 1upf n THR 141 N -2.31 0.00 0.00 3.16 -2.24 -1.26 -5.02 114.28 106.61 1upf n THR 141 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1upf n THR 141 Cb 0.04 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1upf n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1upf n ALA 142 N -3.00 0.00 -1.78 6.98 0.00 -1.03 -4.82 120.51 116.86 1upf n ALA 142 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1upf n ALA 142 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1upf n ALA 142 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1upf s GLU 143 N 0.00 4.11 0.02 0.00 2.12 -1.26 -3.90 118.70 119.79 1upf s GLU 143 Ca 0.00 2.46 -0.25 0.00 0.36 0.00 0.00 54.97 57.54 1upf s GLU 143 Cb 0.00 -2.95 -0.05 0.00 0.26 0.00 0.00 34.13 31.39 1upf s GLU 143 CO 0.00 -0.49 0.79 -1.25 -0.54 0.00 0.00 175.26 173.77 1upf s PRO 144 N -2.07 4.50 -0.05 4.30 0.04 -1.26 0.41 135.00 140.87 1upf s PRO 144 Ca 0.53 1.09 0.05 0.00 0.04 0.00 0.00 61.00 62.71 1upf s PRO 144 Cb -0.44 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 30.69 1upf s PRO 144 CO 0.60 0.20 -0.22 0.15 0.04 0.00 0.00 177.00 177.78 1upf s LYS 145 N 0.21 2.51 -0.32 4.56 1.02 0.51 -4.84 119.74 123.39 1upf s LYS 145 Ca 0.40 -0.84 -0.29 0.00 0.02 0.00 0.00 55.97 55.26 1upf s LYS 145 Cb -0.20 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.88 1upf s LYS 145 CO 0.23 0.47 1.34 -1.17 -0.92 0.00 0.00 175.35 175.30 1upf s LEU 146 N -0.36 3.81 -0.17 3.17 1.98 -1.26 0.56 118.68 126.40 1upf s LEU 146 Ca 0.03 1.14 -0.02 0.00 -2.89 0.00 0.00 54.13 52.39 1upf s LEU 146 Cb -0.12 -3.54 -0.22 0.00 0.66 0.00 0.00 46.19 42.96 1upf s LEU 146 CO 0.02 -1.17 0.13 -0.38 -1.89 0.00 0.00 176.35 173.06 1upf n ILE 147 N 6.42 1.65 -3.53 6.68 2.08 0.20 -4.95 119.36 127.90 1upf n ILE 147 Ca 0.15 -0.64 -0.16 0.00 0.56 0.00 0.00 62.75 62.66 1upf n ILE 147 Cb 0.47 -1.54 -0.06 0.00 -0.75 0.00 0.00 39.64 37.76 1upf n ILE 147 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 1upf s TYR 148 N -2.54 -0.58 -0.23 1.39 5.04 -1.05 -4.98 117.35 114.40 1upf s TYR 148 Ca -0.26 0.87 -0.26 0.00 -2.44 0.00 0.00 57.07 54.98 1upf s TYR 148 Cb 0.08 0.40 0.09 0.00 0.35 0.00 0.00 41.96 42.88 1upf s TYR 148 CO 0.71 -0.63 0.85 -1.83 -1.34 0.00 0.00 175.55 173.31 1upf s GLU 149 N -1.70 0.73 -0.17 4.97 4.04 -1.26 0.04 118.70 125.35 1upf s GLU 149 Ca -0.09 0.67 -0.05 0.00 0.04 0.00 0.00 54.97 55.54 1upf s GLU 149 Cb -0.01 0.35 0.06 0.00 0.02 0.00 0.00 34.13 34.56 1upf s GLU 149 CO 0.05 -0.13 0.11 0.15 -1.84 0.00 0.00 175.26 173.60 1upf s LYS 150 N -0.06 0.07 0.19 -4.83 -0.14 -0.64 -5.02 119.74 109.32 1upf s LYS 150 Ca -0.01 -0.01 0.10 0.00 -1.36 0.00 0.00 55.97 54.69 1upf s LYS 150 Cb -0.04 -1.66 -0.04 0.00 -1.68 0.00 0.00 37.83 34.41 1upf s LYS 150 CO -0.00 -0.65 -0.21 -0.51 -0.76 0.00 0.00 175.35 173.22 1upf s LEU 151 N 2.17 2.46 0.58 3.17 1.43 -1.26 -1.58 118.68 125.64 1upf s LEU 151 Ca 0.03 -0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 52.05 1upf s LEU 151 Cb -0.16 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 1upf s LEU 151 CO -0.09 0.05 1.22 -2.84 0.23 0.00 0.00 176.35 174.92 1upf s PRO 152 N -2.83 3.02 0.08 1.29 0.02 -1.26 -4.93 135.00 130.39 1upf s PRO 152 Ca 0.20 1.87 -0.34 0.00 0.02 0.00 0.00 61.00 62.75 1upf s PRO 152 Cb -0.07 -1.98 -0.16 0.00 0.02 0.00 0.00 34.50 32.31 1upf s PRO 152 CO 0.09 -1.17 1.53 0.00 -0.33 0.00 0.00 177.00 177.11 1upf h ALA 153 N 1.00 -1.14 -0.11 -1.55 0.00 -2.03 -2.94 119.26 112.49 1upf h ALA 153 Ca -0.50 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.16 1upf h ALA 153 Cb 1.30 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 1upf h ALA 153 CO 0.56 -1.17 0.08 -0.40 0.00 0.00 0.00 179.25 178.32 1upf n ASP 154 N -5.37 3.36 0.30 0.00 5.75 -1.26 -4.41 116.55 114.92 1upf n ASP 154 Ca -0.11 -2.22 0.20 0.00 -0.01 0.00 0.00 54.79 52.64 1upf n ASP 154 Cb 0.44 -0.60 1.07 0.00 -1.03 0.00 0.00 41.12 41.00 1upf n ASP 154 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1upf h ILE 155 N 0.21 0.00 0.00 2.12 2.10 -1.90 -2.24 117.51 117.80 1upf h ILE 155 Ca 0.07 -0.02 -0.04 0.00 1.08 0.00 0.00 64.86 65.95 1upf h ILE 155 Cb 1.19 0.92 -0.01 0.00 -1.09 0.00 0.00 36.82 37.83 1upf h ILE 155 CO 0.13 0.00 -0.18 0.08 -1.08 0.00 0.00 178.15 177.10 1upf h ARG 156 N 0.00 0.00 -0.01 2.19 0.11 -1.83 -2.51 114.38 112.33 1upf h ARG 156 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1upf h ARG 156 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1upf h ARG 156 CO 0.00 0.18 -0.03 0.39 0.10 0.00 0.00 179.97 180.61 1upf n GLU 157 N -3.99 1.59 -4.04 0.08 1.02 -0.84 -4.57 120.64 109.88 1upf n GLU 157 Ca -0.02 -0.95 -0.24 0.00 -0.02 0.00 0.00 57.16 55.94 1upf n GLU 157 Cb 0.27 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.17 1upf n GLU 157 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1upf s ARG 158 N -2.06 3.12 0.25 3.49 0.52 -0.95 -4.80 118.95 118.52 1upf s ARG 158 Ca 0.36 -0.85 -0.18 0.00 -0.52 0.00 0.00 55.73 54.54 1upf s ARG 158 Cb 0.21 -2.73 -0.08 0.00 0.52 0.00 0.00 34.95 32.86 1upf s ARG 158 CO 0.36 0.45 0.72 -1.58 0.02 0.00 0.00 175.30 175.27 1upf s TRP 159 N -1.91 3.57 -0.16 -0.53 0.52 -0.72 -4.85 118.94 114.86 1upf s TRP 159 Ca 0.33 1.32 0.02 0.00 0.02 0.00 0.00 56.10 57.79 1upf s TRP 159 Cb -0.09 -2.58 0.01 0.00 -1.15 0.00 0.00 33.47 29.66 1upf s TRP 159 CO 0.26 0.27 -0.20 0.08 0.02 0.00 0.00 176.95 177.38 1upf s VAL 160 N -1.66 2.18 -0.58 4.03 1.01 -0.27 -1.61 120.40 123.50 1upf s VAL 160 Ca 0.46 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 1upf s VAL 160 Cb -0.15 -1.90 0.12 0.00 0.00 0.00 0.00 36.38 34.46 1upf s VAL 160 CO 0.20 0.54 0.61 -0.32 0.00 0.00 0.00 175.10 176.13 1upf s MET 161 N 0.99 3.06 -0.33 2.72 1.75 -0.61 -0.01 119.30 126.86 1upf s MET 161 Ca -0.03 -1.60 -0.26 0.00 -1.25 0.00 0.00 55.69 52.55 1upf s MET 161 Cb -0.15 -4.30 0.01 0.00 2.84 0.00 0.00 34.83 33.23 1upf s MET 161 CO -0.05 -1.42 0.95 -1.17 -0.65 0.00 0.00 175.02 172.67 1upf s LEU 162 N 1.98 3.99 -0.37 4.11 2.96 0.17 -0.93 118.68 130.59 1upf s LEU 162 Ca 0.08 0.79 -0.16 0.00 -0.22 0.00 0.00 54.13 54.61 1upf s LEU 162 Cb -0.26 -3.32 0.00 0.00 0.50 0.00 0.00 46.19 43.11 1upf s LEU 162 CO 0.03 -0.80 0.42 -0.76 -1.32 0.00 0.00 176.35 173.92 1upf s LEU 163 N 3.41 4.58 -0.29 -0.68 1.43 0.88 -0.15 118.68 127.84 1upf s LEU 163 Ca 0.39 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1upf s LEU 163 Cb -0.13 -2.40 0.20 0.00 0.03 0.00 0.00 46.19 43.89 1upf s LEU 163 CO 0.16 -0.45 0.64 -0.62 0.23 0.00 0.00 176.35 176.30 1upf s ASP 164 N 1.77 -1.44 0.25 2.29 2.15 -0.98 -2.85 116.67 117.86 1upf s ASP 164 Ca 0.13 0.39 -0.10 0.00 0.43 0.00 0.00 52.55 53.40 1upf s ASP 164 Cb -0.16 2.00 0.39 0.00 -0.30 0.00 0.00 42.92 44.84 1upf s ASP 164 CO 0.13 -0.26 1.59 1.55 -0.17 0.00 0.00 175.17 178.00 1upf h PRO 165 N 7.95 0.01 -6.38 4.34 0.13 -1.80 -3.39 132.00 132.86 1upf h PRO 165 Ca -0.08 -0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.36 1upf h PRO 165 Cb 1.18 -0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.10 1upf h PRO 165 CO 0.16 0.01 -0.76 -1.64 -0.23 0.00 0.00 178.00 175.54 1upf s MET 166 N -6.23 2.40 -0.56 0.86 -1.94 -1.26 -1.69 119.30 110.89 1upf s MET 166 Ca -0.14 -0.78 0.04 0.00 -1.71 0.00 0.00 55.69 53.09 1upf s MET 166 Cb 0.24 -2.37 0.16 0.00 2.01 0.00 0.00 34.83 34.87 1upf s MET 166 CO 0.76 0.59 0.39 0.00 -0.01 0.00 0.00 175.02 176.75 1upf n ALA 168 N 2.60 0.00 0.14 0.00 0.00 -1.26 -1.39 120.51 120.59 1upf n ALA 168 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.69 1upf n ALA 168 Cb 0.38 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.87 1upf n ALA 168 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1upf h THR 169 N 0.00 0.53 0.00 0.00 1.35 -1.92 -1.82 112.91 111.05 1upf h THR 169 Ca 0.00 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.07 1upf h THR 169 Cb 0.00 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1upf h THR 169 CO 0.00 0.30 0.00 0.00 -0.25 0.00 0.00 175.52 175.57 1upf n ALA 170 N -2.22 0.00 -0.07 6.62 0.00 -1.26 -4.57 120.51 119.01 1upf n ALA 170 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1upf n ALA 170 Cb 0.69 -0.04 -0.06 0.00 0.00 0.00 0.00 19.45 20.05 1upf n ALA 170 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1upf h GLY 171 N 0.00 -0.67 0.76 0.00 0.00 -1.96 -0.34 103.07 100.86 1upf h GLY 171 Ca 0.00 0.55 -0.03 0.00 0.00 0.00 0.00 47.33 47.85 1upf h GLY 171 CO 0.00 -0.20 -0.03 1.48 0.00 0.00 0.00 176.54 177.80 1upf h SER 172 N -0.41 0.27 -0.47 0.19 4.64 -1.99 -2.17 113.55 113.60 1upf h SER 172 Ca 0.10 -0.35 -0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1upf h SER 172 Cb 0.61 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1upf h SER 172 CO -0.49 0.56 0.29 1.62 -0.87 0.00 0.00 176.83 177.93 1upf h VAL 173 N -0.03 1.14 -0.65 0.95 3.04 -1.92 0.24 116.25 119.02 1upf h VAL 173 Ca 0.04 -0.32 -0.05 0.00 -1.01 0.00 0.00 66.70 65.35 1upf h VAL 173 Cb 0.44 0.46 -0.03 0.00 -2.01 0.00 0.00 31.29 30.15 1upf h VAL 173 CO 0.01 0.15 0.19 0.00 -1.01 0.00 0.00 177.57 176.91 1upf h LYS 175 N 0.94 0.64 -0.64 0.00 1.63 -0.39 0.33 116.57 119.08 1upf h LYS 175 Ca 0.21 -0.17 0.08 0.00 -0.85 0.00 0.00 60.65 59.92 1upf h LYS 175 Cb 0.31 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.80 1upf h LYS 175 CO -0.00 0.69 0.30 0.00 -3.45 0.00 0.00 179.45 176.99 1upf h ALA 176 N 0.92 0.85 -0.64 5.00 0.00 0.11 0.71 119.26 126.21 1upf h ALA 176 Ca 0.12 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1upf h ALA 176 Cb 0.36 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1upf h ALA 176 CO 0.01 -0.09 0.26 0.82 0.00 0.00 0.00 179.25 180.25 1upf h ILE 177 N 0.53 1.23 -0.24 0.00 2.04 0.12 -0.68 117.51 120.51 1upf h ILE 177 Ca 0.31 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.51 1upf h ILE 177 Cb 0.32 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1upf h ILE 177 CO -0.25 0.28 -0.09 -0.08 0.00 0.00 0.00 178.15 178.01 1upf h GLU 178 N 0.89 -0.04 -0.55 2.37 4.81 0.93 0.33 114.58 123.31 1upf h GLU 178 Ca 0.21 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1upf h GLU 178 Cb 0.19 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1upf h GLU 178 CO -0.02 -0.03 0.02 -0.24 -0.73 0.00 0.00 179.01 178.01 1upf h VAL 179 N -0.05 1.26 -0.54 0.32 3.04 -0.51 -1.26 116.25 118.51 1upf h VAL 179 Ca 0.12 -1.07 0.01 0.00 -1.01 0.00 0.00 66.70 64.76 1upf h VAL 179 Cb 0.23 0.81 -0.03 0.00 -2.01 0.00 0.00 31.29 30.29 1upf h VAL 179 CO -0.28 0.38 0.35 -0.07 -1.01 0.00 0.00 177.57 176.94 1upf h LEU 180 N 0.87 0.59 -0.55 3.16 4.07 -0.31 -1.73 115.31 121.41 1upf h LEU 180 Ca 0.16 -0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.17 1upf h LEU 180 Cb 0.49 -0.14 -0.05 0.00 1.08 0.00 0.00 40.66 42.04 1upf h LEU 180 CO 0.02 0.42 0.26 -0.07 -1.08 0.00 0.00 178.44 177.99 1upf h LEU 181 N 0.70 0.35 -1.82 1.67 4.07 -0.76 -1.19 115.31 118.33 1upf h LEU 181 Ca 0.20 0.04 0.12 0.00 0.08 0.00 0.00 57.88 58.33 1upf h LEU 181 Cb -0.05 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 1upf h LEU 181 CO -0.06 0.23 0.37 -0.09 -1.08 0.00 0.00 178.44 177.82 1upf h ARG 182 N 0.49 0.19 -0.01 1.13 2.43 -0.37 0.41 114.38 118.66 1upf h ARG 182 Ca 0.25 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1upf h ARG 182 Cb 0.20 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1upf h ARG 182 CO -0.20 0.13 -0.16 1.28 -1.51 0.00 0.00 179.97 179.51 1upf n LEU 183 N -4.44 0.86 0.00 3.80 7.99 -0.55 -4.91 117.00 119.75 1upf n LEU 183 Ca 0.09 -0.19 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 1upf n LEU 183 Cb 0.47 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.66 1upf n LEU 183 CO 0.35 0.16 0.00 0.61 -1.51 0.00 0.00 177.39 177.00 1upf n GLY 184 N 1.28 1.03 3.76 -0.72 0.00 0.14 -4.66 105.19 106.02 1upf n GLY 184 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1upf n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upf s VAL 185 N -2.00 3.56 0.04 1.61 1.01 -0.59 -4.77 120.40 119.26 1upf s VAL 185 Ca 0.00 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.25 1upf s VAL 185 Cb 0.00 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1upf s VAL 185 CO 0.00 0.37 1.03 -0.54 0.00 0.00 0.00 175.10 175.96 1upf s LYS 186 N -1.40 4.56 0.34 2.72 -0.14 -1.26 -4.41 119.74 120.15 1upf s LYS 186 Ca 0.44 1.52 0.12 0.00 -1.36 0.00 0.00 55.97 56.69 1upf s LYS 186 Cb -0.31 -3.41 0.94 0.00 -1.68 0.00 0.00 37.83 33.37 1upf s LYS 186 CO 0.40 -0.04 1.74 1.49 -0.76 0.00 0.00 175.35 178.18 1upf h GLU 187 N 6.49 0.52 0.00 1.68 4.81 -1.94 0.11 114.58 126.25 1upf h GLU 187 Ca -0.42 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1upf h GLU 187 Cb 1.22 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1upf h GLU 187 CO 0.76 0.35 0.00 -0.85 -0.73 0.00 0.00 179.01 178.53 1upf n GLU 188 N -4.80 0.18 -0.99 1.92 0.00 -1.26 -2.57 120.64 113.13 1upf n GLU 188 Ca 0.26 0.32 -0.05 0.00 0.00 0.00 0.00 57.16 57.70 1upf n GLU 188 Cb 0.78 -1.79 0.30 0.00 0.00 0.00 0.00 31.44 30.73 1upf n GLU 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1upf n ARG 189 N -2.12 3.64 -4.09 3.44 1.74 0.37 -4.86 116.66 114.78 1upf n ARG 189 Ca 0.03 -3.09 -0.34 0.00 -0.77 0.00 0.00 57.85 53.68 1upf n ARG 189 Cb 0.29 -2.19 -0.15 0.00 -1.02 0.00 0.00 32.46 29.39 1upf n ARG 189 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1upf s ILE 190 N -3.00 2.92 -0.32 0.55 1.01 -1.06 -1.12 121.20 120.18 1upf s ILE 190 Ca 0.54 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 1upf s ILE 190 Cb 0.44 -2.29 0.03 0.00 0.01 0.00 0.00 42.46 40.65 1upf s ILE 190 CO 0.13 0.47 0.07 -0.63 0.00 0.00 0.00 174.94 174.98 1upf s ILE 191 N 1.28 3.64 -0.45 2.92 1.01 0.98 -2.01 121.20 128.56 1upf s ILE 191 Ca 0.03 -1.07 -0.24 0.00 0.00 0.00 0.00 60.65 59.37 1upf s ILE 191 Cb -0.14 -3.01 0.03 0.00 0.01 0.00 0.00 42.46 39.35 1upf s ILE 191 CO -0.05 -0.09 0.81 0.12 0.00 0.00 0.00 174.94 175.73 1upf s PHE 192 N 1.39 2.97 -0.25 3.97 5.36 0.56 0.45 117.98 132.43 1upf s PHE 192 Ca -0.01 0.19 -0.15 0.00 -0.96 0.00 0.00 56.93 56.01 1upf s PHE 192 Cb -0.19 -3.73 -0.04 0.00 -0.34 0.00 0.00 43.02 38.72 1upf s PHE 192 CO 0.02 -1.02 0.36 0.08 -1.46 0.00 0.00 175.22 173.20 1upf s VAL 193 N 3.39 5.20 0.08 3.12 1.01 0.78 -0.76 120.40 133.21 1upf s VAL 193 Ca 0.31 0.56 -0.06 0.00 0.00 0.00 0.00 61.98 62.79 1upf s VAL 193 Cb -0.12 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1upf s VAL 193 CO 0.23 0.19 0.12 0.21 0.00 0.00 0.00 175.10 175.85 1upf s ASN 194 N 1.49 0.24 -0.21 3.32 3.84 -0.21 -2.32 114.94 121.10 1upf s ASN 194 Ca 0.15 -0.79 -0.16 0.00 0.21 0.00 0.00 52.86 52.27 1upf s ASN 194 Cb -0.15 0.30 -0.11 0.00 -0.55 0.00 0.00 41.25 40.73 1upf s ASN 194 CO 0.09 -0.69 -0.12 -0.38 -2.79 0.00 0.00 177.10 173.21 1upf n ILE 195 N -0.01 1.50 -4.31 -5.21 5.41 -0.68 -2.42 119.36 113.64 1upf n ILE 195 Ca -0.14 -0.03 -0.27 0.00 1.00 0.00 0.00 62.75 63.31 1upf n ILE 195 Cb 0.62 -2.14 -0.17 0.00 -0.71 0.00 0.00 39.64 37.24 1upf n ILE 195 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1upf s LEU 196 N -7.87 1.52 0.27 1.39 0.20 -0.89 0.11 118.68 113.41 1upf s LEU 196 Ca -0.28 -0.34 0.06 0.00 0.69 0.00 0.00 54.13 54.26 1upf s LEU 196 Cb 0.07 -0.92 -0.06 0.00 -0.43 0.00 0.00 46.19 44.86 1upf s LEU 196 CO 0.45 -0.02 -0.06 0.00 -0.29 0.00 0.00 176.35 176.42 1upf s ALA 197 N 1.12 2.26 -0.05 5.97 0.00 0.21 -0.74 121.76 130.53 1upf s ALA 197 Ca -0.05 -1.86 0.06 0.00 0.00 0.00 0.00 51.96 50.11 1upf s ALA 197 Cb -0.14 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1upf s ALA 197 CO -0.02 -0.07 -0.25 0.00 0.00 0.00 0.00 175.76 175.42 1upf s ALA 198 N -3.04 2.13 0.35 0.00 0.00 -0.49 -0.78 121.76 119.94 1upf s ALA 198 Ca 0.28 -1.04 0.16 0.00 0.00 0.00 0.00 51.96 51.37 1upf s ALA 198 Cb 0.03 -0.65 1.19 0.00 0.00 0.00 0.00 23.12 23.70 1upf s ALA 198 CO 0.11 0.42 1.60 -1.35 0.00 0.00 0.00 175.76 176.54 1upf h PRO 199 N 6.01 0.06 -0.21 0.00 0.11 -1.83 0.58 132.00 136.73 1upf h PRO 199 Ca -0.33 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 1upf h PRO 199 Cb 1.17 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1upf h PRO 199 CO 0.47 0.04 0.02 1.96 -0.21 0.00 0.00 178.00 180.29 1upf h GLN 200 N 0.07 0.36 -0.32 1.05 4.20 -1.91 -0.96 115.11 117.59 1upf h GLN 200 Ca 0.78 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 59.31 1upf h GLN 200 Cb 1.96 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.68 1upf h GLN 200 CO -0.76 0.52 -0.12 0.78 -0.67 0.00 0.00 178.83 178.58 1upf h GLY 201 N 0.14 0.59 0.94 3.46 0.00 0.97 -2.43 103.07 106.74 1upf h GLY 201 Ca 0.06 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.99 1upf h GLY 201 CO 0.01 0.38 0.34 -2.22 0.00 0.00 0.00 176.54 175.04 1upf h ILE 202 N 0.50 1.10 -0.41 2.60 2.04 -0.40 -1.11 117.51 121.83 1upf h ILE 202 Ca 0.09 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1upf h ILE 202 Cb 0.51 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1upf h ILE 202 CO 0.03 0.12 0.25 -0.33 0.00 0.00 0.00 178.15 178.22 1upf h GLU 203 N 0.68 0.56 -0.54 2.37 5.08 -0.74 -2.43 114.58 119.55 1upf h GLU 203 Ca 0.20 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1upf h GLU 203 Cb -0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1upf h GLU 203 CO -0.07 0.41 0.02 -0.09 -1.00 0.00 0.00 179.01 178.29 1upf h ARG 204 N 0.54 0.94 -0.27 2.33 1.12 -1.28 -0.36 114.38 117.40 1upf h ARG 204 Ca 0.15 -0.29 0.03 0.00 -1.11 0.00 0.00 59.98 58.76 1upf h ARG 204 Cb 0.00 -0.09 -0.03 0.00 -0.01 0.00 0.00 29.97 29.84 1upf h ARG 204 CO -0.03 0.94 0.07 -0.24 -3.11 0.00 0.00 179.97 177.60 1upf h VAL 205 N 0.82 0.90 0.00 0.20 3.04 -0.91 -2.34 116.25 117.94 1upf h VAL 205 Ca 0.16 -0.06 -0.05 0.00 -1.01 0.00 0.00 66.70 65.74 1upf h VAL 205 Cb 0.50 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 1upf h VAL 205 CO 0.02 0.03 -0.23 -0.26 -1.01 0.00 0.00 177.57 176.13 1upf h PHE 206 N 0.18 0.00 -0.51 3.17 0.04 -1.31 -0.76 116.94 117.75 1upf h PHE 206 Ca 0.12 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.80 1upf h PHE 206 Cb 0.11 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 1upf h PHE 206 CO -0.15 0.23 -0.05 -0.22 -0.60 0.00 0.00 178.31 177.51 1upf h LYS 207 N 0.00 0.91 0.08 1.51 3.64 -0.86 -2.52 116.57 119.33 1upf h LYS 207 Ca -0.00 -0.29 -0.31 0.00 -1.27 0.00 0.00 60.65 58.78 1upf h LYS 207 Cb 1.02 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1upf h LYS 207 CO 0.03 0.94 -1.65 0.93 -2.27 0.00 0.00 179.45 177.42 1upf h GLU 208 N 0.83 0.16 -2.03 1.90 5.08 -1.18 -3.42 114.58 115.93 1upf h GLU 208 Ca 0.14 -0.28 -0.54 0.00 -1.00 0.00 0.00 59.36 57.68 1upf h GLU 208 Cb 0.57 0.10 -0.40 0.00 0.50 0.00 0.00 28.75 29.52 1upf h GLU 208 CO 0.03 0.94 -1.07 0.66 -1.00 0.00 0.00 179.01 178.58 1upf n TYR 209 N -3.33 0.36 -0.10 4.33 4.01 -0.31 -4.96 117.16 117.16 1upf n TYR 209 Ca -0.19 -3.71 0.26 0.00 -0.16 0.00 0.00 57.90 54.10 1upf n TYR 209 Cb 1.04 -0.40 0.72 0.00 -0.31 0.00 0.00 39.34 40.39 1upf n TYR 209 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1upf h PRO 210 N 3.68 0.00 0.00 -0.72 0.13 -1.65 -0.54 132.00 132.90 1upf h PRO 210 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1upf h PRO 210 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1upf h PRO 210 CO 0.52 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.92 1upf n LYS 211 N -4.10 0.09 -1.32 0.86 5.02 -1.26 -4.86 118.16 112.60 1upf n LYS 211 Ca 0.15 0.20 -0.30 0.00 -2.02 0.00 0.00 58.31 56.35 1upf n LYS 211 Cb 0.87 -1.64 0.20 0.00 -0.02 0.00 0.00 35.03 34.45 1upf n LYS 211 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1upf s VAL 212 N -3.08 1.81 0.01 -0.18 -7.23 -0.21 -4.16 120.40 107.35 1upf s VAL 212 Ca 0.09 0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.33 1upf s VAL 212 Cb 0.13 -2.62 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 1upf s VAL 212 CO 0.44 0.00 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.88 1upf s ARG 213 N -5.38 1.67 -0.05 4.82 3.00 -0.85 -4.86 118.95 117.30 1upf s ARG 213 Ca 0.69 -0.86 0.01 0.00 0.00 0.00 0.00 55.73 55.57 1upf s ARG 213 Cb -0.11 -1.69 0.02 0.00 0.00 0.00 0.00 34.95 33.17 1upf s ARG 213 CO 0.55 0.45 -0.06 1.41 0.00 0.00 0.00 175.30 177.65 1upf s MET 214 N -0.77 1.05 -0.14 3.54 1.75 -0.89 -0.33 119.30 123.51 1upf s MET 214 Ca 0.09 -0.19 0.01 0.00 -1.25 0.00 0.00 55.69 54.35 1upf s MET 214 Cb -0.09 -0.98 -0.00 0.00 2.84 0.00 0.00 34.83 36.60 1upf s MET 214 CO 0.00 -0.05 -0.17 0.08 -0.65 0.00 0.00 175.02 174.23 1upf s VAL 215 N 0.84 2.54 0.13 10.11 1.01 0.06 -0.39 120.40 134.69 1upf s VAL 215 Ca -0.12 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1upf s VAL 215 Cb -0.15 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1upf s VAL 215 CO 0.01 0.53 -0.05 0.28 0.00 0.00 0.00 175.10 175.87 1upf s THR 216 N 0.71 0.76 -0.12 3.92 -1.32 -0.29 -1.04 115.64 118.26 1upf s THR 216 Ca -0.08 -1.97 0.15 0.00 -1.21 0.00 0.00 61.69 58.58 1upf s THR 216 Cb -0.16 -1.84 -0.24 0.00 -1.51 0.00 0.00 72.50 68.76 1upf s THR 216 CO 0.01 -0.74 0.38 0.00 -2.21 0.00 0.00 174.62 172.07 1upf n ALA 217 N -0.12 1.49 -3.59 11.08 0.00 -0.95 -0.65 120.51 127.77 1upf n ALA 217 Ca -0.10 -1.03 -0.15 0.00 0.00 0.00 0.00 53.44 52.16 1upf n ALA 217 Cb 0.61 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 19.46 1upf n ALA 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1upf s ALA 218 N -2.55 -1.81 -0.15 0.00 0.00 0.12 -4.70 121.76 112.67 1upf s ALA 218 Ca -0.07 1.71 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1upf s ALA 218 Cb 0.07 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 1upf s ALA 218 CO 0.83 -0.34 -0.16 0.08 0.00 0.00 0.00 175.76 176.17 1upf s VAL 219 N -0.34 2.63 0.53 0.00 1.01 -1.26 0.67 120.40 123.65 1upf s VAL 219 Ca -0.04 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.25 1upf s VAL 219 Cb -0.03 -2.11 0.06 0.00 0.00 0.00 0.00 36.38 34.31 1upf s VAL 219 CO 0.04 0.52 0.71 -1.81 0.00 0.00 0.00 175.10 174.56 1upf s ASP 220 N 0.78 5.22 -0.01 3.32 1.11 0.04 -4.94 116.67 122.20 1upf s ASP 220 Ca -0.06 -0.75 -0.01 0.00 0.18 0.00 0.00 52.55 51.90 1upf s ASP 220 Cb -0.15 0.05 -0.01 0.00 1.07 0.00 0.00 42.92 43.87 1upf s ASP 220 CO 0.00 -1.17 0.28 -0.29 1.18 0.00 0.00 175.17 175.17 1upf h ILE 221 N 0.33 0.00 -2.47 0.77 -0.00 -1.72 -3.36 117.51 111.06 1upf h ILE 221 Ca -0.33 -0.11 -0.56 0.00 -0.00 0.00 0.00 64.86 63.86 1upf h ILE 221 Cb 1.29 0.00 -0.13 0.00 -0.00 0.00 0.00 36.82 37.97 1upf h ILE 221 CO 0.43 0.00 -0.52 0.00 -0.00 0.00 0.00 178.15 178.06 1upf s LEU 223 N -3.62 2.61 0.62 0.00 2.96 -1.26 -0.36 118.68 119.63 1upf s LEU 223 Ca 0.23 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1upf s LEU 223 Cb 0.03 -1.52 0.05 0.00 0.50 0.00 0.00 46.19 45.25 1upf s LEU 223 CO 0.14 0.33 0.89 0.54 -1.32 0.00 0.00 176.35 176.92 1upf s ASN 224 N -0.65 5.01 0.43 3.68 4.22 0.82 -4.82 114.94 123.64 1upf s ASN 224 Ca 0.10 0.14 0.30 0.00 -2.14 0.00 0.00 52.86 51.25 1upf s ASN 224 Cb -0.11 -0.89 1.55 0.00 1.28 0.00 0.00 41.25 43.08 1upf s ASN 224 CO 0.01 -1.38 1.90 0.77 -2.04 0.00 0.00 177.10 176.35 1upf h SER 225 N -0.24 0.00 -0.38 3.54 4.64 -2.01 3.99 113.55 123.09 1upf h SER 225 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1upf h SER 225 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1upf h SER 225 CO 0.54 0.00 0.00 -1.14 -0.87 0.00 0.00 176.83 175.36 1upf n ARG 226 N -2.55 2.47 -3.45 4.77 0.63 -1.26 -4.96 116.66 112.30 1upf n ARG 226 Ca -0.01 -2.21 -0.18 0.00 -0.92 0.00 0.00 57.85 54.52 1upf n ARG 226 Cb 0.08 -1.51 0.07 0.00 0.45 0.00 0.00 32.46 31.55 1upf n ARG 226 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1upf n TYR 227 N 1.42 -2.19 -5.02 -0.14 4.02 1.32 -5.02 117.16 111.55 1upf n TYR 227 Ca 0.19 0.86 -0.32 0.00 -0.01 0.00 0.00 57.90 58.62 1upf n TYR 227 Cb 0.59 -4.53 -0.15 0.00 -0.02 0.00 0.00 39.34 35.23 1upf n TYR 227 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1upf s TYR 228 N -3.44 2.63 0.66 -0.72 2.02 -1.26 -4.76 117.35 112.48 1upf s TYR 228 Ca 0.17 -0.61 -0.15 0.00 -0.37 0.00 0.00 57.07 56.11 1upf s TYR 228 Cb -0.03 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.84 1upf s TYR 228 CO 0.76 -0.15 1.13 0.42 -1.57 0.00 0.00 175.55 176.15 1upf s ILE 229 N -0.07 3.02 -0.07 2.71 1.09 -1.26 -0.12 121.20 126.49 1upf s ILE 229 Ca -0.04 0.50 -0.09 0.00 -1.10 0.00 0.00 60.65 59.91 1upf s ILE 229 Cb -0.14 -3.04 0.02 0.00 -1.06 0.00 0.00 42.46 38.24 1upf s ILE 229 CO 0.04 -0.27 0.24 0.54 -0.10 0.00 0.00 174.94 175.40 1upf s VAL 230 N -2.19 0.02 0.63 2.92 0.11 0.51 -3.03 120.40 119.37 1upf s VAL 230 Ca 0.69 -0.15 0.31 0.00 -2.93 0.00 0.00 61.98 59.90 1upf s VAL 230 Cb -0.23 -0.40 0.34 0.00 -1.53 0.00 0.00 36.38 34.56 1upf s VAL 230 CO 0.41 -0.09 2.00 1.55 -3.33 0.00 0.00 175.10 175.64 1upf h PRO 231 N 5.30 0.00 0.00 1.54 0.13 -1.95 -2.09 132.00 134.93 1upf h PRO 231 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1upf h PRO 231 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1upf h PRO 231 CO 0.36 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.54 1upf n GLY 232 N -1.31 0.90 0.00 1.56 0.00 -1.17 -4.77 105.19 100.40 1upf n GLY 232 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1upf n GLY 232 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1upf n ILE 233 N 0.00 0.00 -1.56 -0.61 3.06 -1.26 -4.84 119.36 114.15 1upf n ILE 233 Ca 0.00 -0.12 0.00 0.00 -2.50 0.00 0.00 62.75 60.13 1upf n ILE 233 Cb 0.00 1.23 0.00 0.00 0.54 0.00 0.00 39.64 41.41 1upf n ILE 233 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1upf n GLY 234 N 0.16 -0.71 3.47 4.50 0.00 -1.26 -4.70 105.19 106.65 1upf n GLY 234 Ca 0.00 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 1upf n GLY 234 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1upf s ASP 235 N -4.00 6.26 0.09 1.61 -1.08 -1.26 -4.92 116.67 113.36 1upf s ASP 235 Ca 0.00 -0.72 -0.32 0.00 -0.52 0.00 0.00 52.55 50.98 1upf s ASP 235 Cb 0.00 -2.32 -0.15 0.00 -1.46 0.00 0.00 42.92 38.99 1upf s ASP 235 CO 0.00 -0.93 1.61 0.15 0.52 0.00 0.00 175.17 176.52 1upf h PHE 236 N 9.03 -1.00 -0.77 -5.34 3.04 -1.99 -2.17 116.94 117.74 1upf h PHE 236 Ca -0.27 -0.00 0.15 0.00 3.98 0.00 0.00 57.97 61.83 1upf h PHE 236 Cb 1.09 0.37 -0.10 0.00 2.56 0.00 0.00 35.95 39.87 1upf h PHE 236 CO 0.77 -0.54 0.30 0.78 -2.02 0.00 0.00 178.31 177.60 1upf h GLY 237 N -0.84 1.18 0.92 2.40 0.00 -1.91 0.58 103.07 105.40 1upf h GLY 237 Ca -0.05 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1upf h GLY 237 CO 0.00 -0.13 -0.09 -0.55 0.00 0.00 0.00 176.54 175.76 1upf h ASP 238 N 0.41 0.64 -0.17 0.19 5.19 -1.90 -0.86 116.42 119.92 1upf h ASP 238 Ca 0.43 -0.37 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1upf h ASP 238 Cb 0.70 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 1upf h ASP 238 CO -0.44 0.86 0.10 0.03 -3.12 0.00 0.00 179.24 176.67 1upf h ARG 239 N 0.41 0.24 -0.15 3.56 2.47 -0.50 0.46 114.38 120.87 1upf h ARG 239 Ca 0.08 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1upf h ARG 239 Cb 0.59 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1upf h ARG 239 CO 0.03 0.24 -0.01 -0.92 0.56 0.00 0.00 179.97 179.88 1upf h TYR 240 N 0.18 0.29 0.00 3.04 3.20 0.11 -3.21 116.97 120.58 1upf h TYR 240 Ca 0.06 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1upf h TYR 240 Cb 0.07 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1upf h TYR 240 CO -0.04 0.50 -0.13 1.19 -1.64 0.00 0.00 178.16 178.04 1upf n PHE 241 N -4.75 0.06 -1.03 -3.82 3.72 -0.33 -4.90 117.46 106.41 1upf n PHE 241 Ca -0.05 0.02 -0.01 0.00 -0.05 0.00 0.00 57.45 57.35 1upf n PHE 241 Cb 0.22 -0.47 -0.00 0.00 -0.94 0.00 0.00 39.48 38.29 1upf n PHE 241 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1upf n GLY 242 N 1.49 0.48 1.52 1.37 0.00 0.15 -4.90 105.19 105.29 1upf n GLY 242 Ca 0.06 -0.94 -0.07 0.00 0.00 0.00 0.00 46.02 45.07 1upf n GLY 242 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1upf n THR 243 N -2.96 1.94 0.00 2.61 -2.24 -0.39 -5.01 114.28 108.23 1upf n THR 243 Ca -0.01 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 1upf n THR 243 Cb 0.04 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 1upf n THR 243 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73