#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 -0.27 -0.90 3.69 4.81 -1.99 -2.30 114.58 117.62 1upf h GLU 22 Ca 0.00 0.02 0.21 0.00 -0.13 0.00 0.00 59.36 59.46 1upf h GLU 22 Cb 0.00 0.06 -0.17 0.00 0.63 0.00 0.00 28.75 29.28 1upf h GLU 22 CO 0.00 -0.18 -0.08 1.49 -0.73 0.00 0.00 179.01 179.51 1upf h GLU 23 N -0.99 0.03 -0.31 1.92 4.57 -2.00 1.12 114.58 118.92 1upf h GLU 23 Ca -0.03 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.21 1upf h GLU 23 Cb 0.22 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.75 1upf h GLU 23 CO 0.05 0.02 -0.01 0.66 -1.18 0.00 0.00 179.01 178.55 1upf h SER 24 N 0.03 -0.15 -0.24 1.04 4.64 -1.99 0.54 113.55 117.43 1upf h SER 24 Ca 0.49 0.07 -0.18 0.00 -0.47 0.00 0.00 61.79 61.70 1upf h SER 24 Cb 0.88 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1upf h SER 24 CO -0.86 -0.04 -0.55 0.40 -0.87 0.00 0.00 176.83 174.91 1upf h ILE 25 N 0.08 1.29 -0.82 0.95 2.04 0.13 -2.32 117.51 118.85 1upf h ILE 25 Ca 0.15 -1.75 0.05 0.00 1.00 0.00 0.00 64.86 64.31 1upf h ILE 25 Cb 0.21 1.77 -0.06 0.00 -0.74 0.00 0.00 36.82 38.00 1upf h ILE 25 CO -0.26 0.56 0.51 -0.07 0.00 0.00 0.00 178.15 178.89 1upf h LEU 26 N 0.53 0.82 0.12 1.44 3.38 0.14 -2.06 115.31 119.68 1upf h LEU 26 Ca -0.00 0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.68 1upf h LEU 26 Cb 1.16 -0.16 0.03 0.00 0.09 0.00 0.00 40.66 41.77 1upf h LEU 26 CO 0.12 0.54 -1.27 -0.61 0.09 0.00 0.00 178.44 177.31 1upf h GLN 27 N 0.96 0.53 -0.47 1.13 5.75 0.07 -1.42 115.11 121.66 1upf h GLN 27 Ca 0.35 -0.76 -0.05 0.00 -0.15 0.00 0.00 58.65 58.04 1upf h GLN 27 Cb 0.11 0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 1upf h GLN 27 CO -0.15 1.34 0.09 0.22 -2.65 0.00 0.00 178.83 177.69 1upf h ASP 28 N 0.21 0.66 -0.23 -0.69 1.82 -1.34 0.35 116.42 117.20 1upf h ASP 28 Ca -0.19 -0.11 -0.09 0.00 -0.39 0.00 0.00 57.03 56.25 1upf h ASP 28 Cb 1.95 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 41.79 1upf h ASP 28 CO 0.24 0.67 -0.20 -0.29 -1.61 0.00 0.00 179.24 178.05 1upf h ILE 29 N 0.69 1.32 -0.27 2.25 6.09 -1.39 -2.43 117.51 123.77 1upf h ILE 29 Ca 0.15 -1.34 -0.03 0.00 -1.37 0.00 0.00 64.86 62.27 1upf h ILE 29 Cb 0.29 1.67 -0.02 0.00 0.47 0.00 0.00 36.82 39.23 1upf h ILE 29 CO 0.00 0.42 0.02 0.40 -3.07 0.00 0.00 178.15 175.92 1upf h ILE 30 N 0.24 1.16 0.03 2.19 2.04 -0.09 -0.83 117.51 122.26 1upf h ILE 30 Ca 0.04 -0.59 -0.26 0.00 1.00 0.00 0.00 64.86 65.05 1upf h ILE 30 Cb 0.74 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1upf h ILE 30 CO 0.05 0.20 -1.31 0.00 0.00 0.00 0.00 178.15 177.10 1upf h THR 31 N 0.39 1.36 -0.09 -0.27 1.03 -0.33 -3.37 112.91 111.63 1upf h THR 31 Ca 0.09 -3.09 -0.20 0.00 -0.01 0.00 0.00 66.41 63.21 1upf h THR 31 Cb 0.23 2.73 0.01 0.00 -1.07 0.00 0.00 68.15 70.05 1upf h THR 31 CO 0.00 0.82 -0.70 0.03 -0.01 0.00 0.00 175.52 175.66 1upf h ARG 32 N 0.02 0.64 -3.53 0.00 -0.00 -1.23 -3.40 114.38 106.87 1upf h ARG 32 Ca -0.14 -0.57 -0.70 0.00 -0.50 0.00 0.00 59.98 58.07 1upf h ARG 32 Cb 1.90 0.13 -0.35 0.00 0.00 0.00 0.00 29.97 31.65 1upf h ARG 32 CO 0.13 1.18 -0.28 -0.06 0.00 0.00 0.00 179.97 180.94 1upf s PHE 33 N -3.59 3.51 0.67 3.04 0.08 -0.33 -4.90 117.98 116.45 1upf s PHE 33 Ca -0.11 -2.73 0.32 0.00 0.12 0.00 0.00 56.93 54.53 1upf s PHE 33 Cb 0.07 -3.25 1.75 0.00 -0.57 0.00 0.00 43.02 41.02 1upf s PHE 33 CO 0.87 -0.83 1.99 -1.00 -0.10 0.00 0.00 175.22 176.15 1upf h PRO 34 N 6.87 0.00 -0.24 0.24 0.13 -1.80 0.50 132.00 137.71 1upf h PRO 34 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1upf h PRO 34 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1upf h PRO 34 CO 0.74 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.60 1upf n ASN 35 N -2.92 2.08 -4.83 1.44 5.03 -1.26 -4.83 115.26 109.97 1upf n ASN 35 Ca -0.02 -1.81 -0.36 0.00 0.87 0.00 0.00 54.58 53.26 1upf n ASN 35 Cb 0.34 -0.15 -0.07 0.00 -1.02 0.00 0.00 39.78 38.87 1upf n ASN 35 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1upf s VAL 36 N -1.69 5.17 -0.15 2.41 -7.23 0.16 -1.91 120.40 117.16 1upf s VAL 36 Ca 0.33 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.56 1upf s VAL 36 Cb 0.18 -3.24 -0.00 0.00 0.56 0.00 0.00 36.38 33.87 1upf s VAL 36 CO 0.26 0.60 -0.16 0.54 -0.31 0.00 0.00 175.10 176.03 1upf s VAL 37 N -1.01 2.61 -0.05 1.32 0.11 0.11 -4.97 120.40 118.52 1upf s VAL 37 Ca 0.15 -0.79 -0.11 0.00 -2.93 0.00 0.00 61.98 58.30 1upf s VAL 37 Cb -0.12 -2.10 -0.05 0.00 -1.53 0.00 0.00 36.38 32.58 1upf s VAL 37 CO 0.04 0.52 0.29 -0.22 -3.33 0.00 0.00 175.10 172.41 1upf s LEU 38 N 0.80 4.44 0.50 2.54 0.20 -1.26 -0.36 118.68 125.54 1upf s LEU 38 Ca -0.06 0.75 -0.21 0.00 0.69 0.00 0.00 54.13 55.31 1upf s LEU 38 Cb -0.15 -2.37 -0.07 0.00 -0.43 0.00 0.00 46.19 43.17 1upf s LEU 38 CO -0.00 0.36 1.10 -0.04 -0.29 0.00 0.00 176.35 177.48 1upf s MET 39 N -1.06 3.63 0.20 1.98 -1.94 -0.45 -4.93 119.30 116.73 1upf s MET 39 Ca 0.20 1.55 -0.31 0.00 -1.71 0.00 0.00 55.69 55.43 1upf s MET 39 Cb -0.15 -2.14 -0.10 0.00 2.01 0.00 0.00 34.83 34.45 1upf s MET 39 CO 0.09 -0.61 1.50 0.21 -0.01 0.00 0.00 175.02 176.20 1upf s LYS 40 N -3.11 4.24 -0.99 2.03 2.20 -1.26 -4.86 119.74 118.00 1upf s LYS 40 Ca 0.68 2.32 -0.23 0.00 -0.36 0.00 0.00 55.97 58.38 1upf s LYS 40 Cb -0.22 -3.14 0.02 0.00 -1.51 0.00 0.00 37.83 32.98 1upf s LYS 40 CO 0.26 -0.51 1.62 -0.65 -0.36 0.00 0.00 175.35 175.71 1upf s GLN 41 N 0.38 3.26 0.31 4.03 -1.52 -1.26 -4.90 119.66 119.96 1upf s GLN 41 Ca 0.64 -0.88 0.04 0.00 -1.95 0.00 0.00 55.36 53.22 1upf s GLN 41 Cb -0.42 -5.27 -0.02 0.00 -0.22 0.00 0.00 33.01 27.08 1upf s GLN 41 CO 0.37 -2.60 0.46 0.95 -0.25 0.00 0.00 175.29 174.23 1upf s THR 42 N 6.64 4.67 0.42 -0.19 -4.23 -1.26 -4.93 115.64 116.76 1upf s THR 42 Ca 0.54 -0.86 0.08 0.00 -1.18 0.00 0.00 61.69 60.28 1upf s THR 42 Cb -0.02 -3.65 0.25 0.00 1.34 0.00 0.00 72.50 70.42 1upf s THR 42 CO -0.06 -0.30 2.05 0.00 -0.54 0.00 0.00 174.62 175.77 1upf h ALA 43 N 0.92 1.72 -0.04 3.99 0.00 -1.98 0.57 119.26 124.43 1upf h ALA 43 Ca -0.49 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.13 1upf h ALA 43 Cb 1.24 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.91 1upf h ALA 43 CO 0.58 0.24 -0.96 0.37 0.00 0.00 0.00 179.25 179.48 1upf h GLN 44 N 0.44 0.71 -0.48 0.00 5.75 -1.98 -0.08 115.11 119.47 1upf h GLN 44 Ca 0.12 -0.70 -0.01 0.00 -0.15 0.00 0.00 58.65 57.91 1upf h GLN 44 Cb -0.00 0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 1upf h GLN 44 CO -0.02 1.29 0.27 1.25 -2.65 0.00 0.00 178.83 178.96 1upf h LEU 45 N 0.42 0.60 -1.63 -2.39 5.85 -1.61 0.33 115.31 116.88 1upf h LEU 45 Ca -0.10 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 1upf h LEU 45 Cb 1.60 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 1upf h LEU 45 CO 0.19 0.51 -0.20 -0.09 -0.34 0.00 0.00 178.44 178.51 1upf h ARG 46 N 0.64 0.00 -0.05 1.25 2.43 -0.86 -1.23 114.38 116.56 1upf h ARG 46 Ca 0.17 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.17 1upf h ARG 46 Cb 0.04 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1upf h ARG 46 CO -0.03 0.20 -0.71 0.00 -1.51 0.00 0.00 179.97 177.92 1upf h ALA 47 N 1.80 0.71 -0.09 2.80 0.00 -0.10 0.06 119.26 124.44 1upf h ALA 47 Ca -0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 1upf h ALA 47 Cb 0.37 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1upf h ALA 47 CO 0.03 0.80 -0.11 0.52 0.00 0.00 0.00 179.25 180.48 1upf h MET 48 N 0.17 0.24 -0.32 0.00 2.86 0.17 -2.54 114.93 115.51 1upf h MET 48 Ca -0.02 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 1upf h MET 48 Cb 1.26 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.92 1upf h MET 48 CO 0.11 0.68 0.11 0.52 1.06 0.00 0.00 176.91 179.39 1upf h MET 49 N -0.19 0.45 0.39 1.72 2.07 -1.24 -0.54 114.93 117.58 1upf h MET 49 Ca 0.01 -0.06 -0.02 0.00 -2.07 0.00 0.00 59.70 57.57 1upf h MET 49 Cb 0.65 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.30 1upf h MET 49 CO 0.03 0.39 -0.19 1.15 1.07 0.00 0.00 176.91 179.36 1upf h THR 50 N 0.45 0.62 -0.80 2.22 2.02 -0.93 0.72 112.91 117.21 1upf h THR 50 Ca 0.11 -0.25 0.07 0.00 0.77 0.00 0.00 66.41 67.11 1upf h THR 50 Cb 0.13 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 1upf h THR 50 CO -0.01 0.05 0.52 0.40 0.37 0.00 0.00 175.52 176.85 1upf h ILE 51 N -0.66 1.01 0.00 3.11 1.08 -0.81 -1.72 117.51 119.52 1upf h ILE 51 Ca -0.05 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1upf h ILE 51 Cb 0.48 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 1upf h ILE 51 CO 0.09 0.15 -0.76 0.16 -0.69 0.00 0.00 178.15 177.10 1upf h ILE 52 N 0.83 0.00 0.01 -0.67 3.07 -0.61 -3.28 117.51 116.86 1upf h ILE 52 Ca 0.35 -0.69 -0.19 0.00 1.55 0.00 0.00 64.86 65.88 1upf h ILE 52 Cb 0.30 1.25 -0.02 0.00 -0.27 0.00 0.00 36.82 38.08 1upf h ILE 52 CO -0.13 0.00 -0.87 0.03 -1.05 0.00 0.00 178.15 176.13 1upf h ARG 53 N 0.00 0.08 -6.51 0.16 3.08 0.13 -3.46 114.38 107.86 1upf h ARG 53 Ca 0.00 -0.09 -0.53 0.00 0.07 0.00 0.00 59.98 59.43 1upf h ARG 53 Cb 0.85 0.03 0.04 0.00 0.08 0.00 0.00 29.97 30.96 1upf h ARG 53 CO 0.00 0.89 1.09 0.34 -1.07 0.00 0.00 179.97 181.23 1upf s ASP 54 N -6.84 6.44 0.61 7.04 2.15 -0.80 -4.82 116.67 120.46 1upf s ASP 54 Ca -0.01 2.74 0.35 0.00 0.43 0.00 0.00 52.55 56.06 1upf s ASP 54 Cb 0.11 -2.57 2.01 0.00 -0.30 0.00 0.00 42.92 42.17 1upf s ASP 54 CO 0.81 -0.99 2.29 0.07 -0.17 0.00 0.00 175.17 177.18 1upf h LYS 55 N 8.46 0.00 -0.00 4.34 5.09 -1.90 -2.75 116.57 129.80 1upf h LYS 55 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.29 1upf h LYS 55 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.54 1upf h LYS 55 CO 0.95 0.01 -0.06 -1.91 -2.09 0.00 0.00 179.45 176.34 1upf n GLU 56 N -3.57 0.18 -2.62 0.07 4.07 -1.26 -4.90 120.64 112.62 1upf n GLU 56 Ca -0.03 -0.02 -0.42 0.00 -0.06 0.00 0.00 57.16 56.63 1upf n GLU 56 Cb 0.09 -1.50 -0.03 0.00 -0.06 0.00 0.00 31.44 29.94 1upf n GLU 56 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1upf s THR 57 N -2.84 4.53 0.71 6.31 -1.32 -1.04 -5.01 115.64 116.99 1upf s THR 57 Ca 0.19 1.86 -0.15 0.00 -1.21 0.00 0.00 61.69 62.38 1upf s THR 57 Cb 0.19 -4.19 0.03 0.00 -1.51 0.00 0.00 72.50 67.02 1upf s THR 57 CO 0.52 0.17 1.18 -2.84 -2.21 0.00 0.00 174.62 171.45 1upf s PRO 58 N 0.83 2.30 0.17 7.08 0.02 -1.26 -4.69 135.00 139.46 1upf s PRO 58 Ca 0.53 1.67 -0.21 0.00 0.02 0.00 0.00 61.00 63.02 1upf s PRO 58 Cb -0.24 -1.86 0.09 0.00 0.02 0.00 0.00 34.50 32.51 1upf s PRO 58 CO 0.29 -1.69 1.61 0.87 -0.33 0.00 0.00 177.00 177.75 1upf h LYS 59 N -0.20 -0.18 -0.81 5.54 1.57 -1.95 0.36 116.57 120.90 1upf h LYS 59 Ca -0.47 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.41 1upf h LYS 59 Cb 1.28 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.56 1upf h LYS 59 CO 0.51 -0.12 0.47 1.05 -0.57 0.00 0.00 179.45 180.79 1upf h GLU 60 N -0.18 0.78 -0.18 3.15 9.09 -1.96 0.46 114.58 125.73 1upf h GLU 60 Ca 0.19 -0.05 -0.06 0.00 0.05 0.00 0.00 59.36 59.49 1upf h GLU 60 Cb 0.49 -0.18 -0.00 0.00 -1.65 0.00 0.00 28.75 27.41 1upf h GLU 60 CO -0.52 0.51 -0.13 0.93 0.05 0.00 0.00 179.01 179.85 1upf h GLU 61 N 0.80 0.40 -0.98 1.06 4.39 -1.60 -2.42 114.58 116.23 1upf h GLU 61 Ca 0.39 -0.20 0.03 0.00 0.34 0.00 0.00 59.36 59.92 1upf h GLU 61 Cb 0.33 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.92 1upf h GLU 61 CO -0.23 0.74 0.64 0.35 -1.16 0.00 0.00 179.01 179.35 1upf h PHE 62 N 0.07 1.21 -0.42 4.33 3.04 0.18 -2.20 116.94 123.15 1upf h PHE 62 Ca 0.03 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.93 1upf h PHE 62 Cb 0.64 -0.40 -0.01 0.00 2.56 0.00 0.00 35.95 38.73 1upf h PHE 62 CO 0.07 0.71 -0.07 0.28 -2.02 0.00 0.00 178.31 177.28 1upf h VAL 63 N 1.26 1.27 0.31 1.41 2.07 -0.88 -0.30 116.25 121.39 1upf h VAL 63 Ca 0.38 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1upf h VAL 63 Cb -0.03 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1upf h VAL 63 CO -0.11 0.39 -0.45 0.15 0.02 0.00 0.00 177.57 177.57 1upf h PHE 64 N 0.62 -1.24 -0.03 1.57 3.57 -1.00 -0.30 116.94 120.13 1upf h PHE 64 Ca 0.11 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.53 1upf h PHE 64 Cb 0.59 0.50 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1upf h PHE 64 CO 0.05 -0.58 -0.45 1.88 -2.23 0.00 0.00 178.31 176.98 1upf h TYR 65 N -0.81 0.08 -0.57 0.41 0.05 -1.42 0.15 116.97 114.87 1upf h TYR 65 Ca -0.02 -0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.63 1upf h TYR 65 Cb 0.75 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.46 1upf h TYR 65 CO -0.30 0.51 -0.07 0.00 -1.05 0.00 0.00 178.16 177.25 1upf h ALA 66 N 1.49 0.77 -0.19 3.88 0.00 -0.77 -0.73 119.26 123.71 1upf h ALA 66 Ca 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1upf h ALA 66 Cb 0.82 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1upf h ALA 66 CO 0.06 0.66 -0.20 -0.44 0.00 0.00 0.00 179.25 179.33 1upf h ASP 67 N 0.93 0.31 -0.05 0.00 5.19 -0.61 -0.24 116.42 121.95 1upf h ASP 67 Ca 0.15 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1upf h ASP 67 Cb 0.64 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.06 1upf h ASP 67 CO 0.04 0.54 0.01 -0.09 -3.12 0.00 0.00 179.24 176.62 1upf h ARG 68 N 0.30 0.09 -0.70 3.56 2.43 0.37 -2.83 114.38 117.60 1upf h ARG 68 Ca 0.05 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1upf h ARG 68 Cb 0.53 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1upf h ARG 68 CO 0.04 0.33 0.24 1.25 -1.51 0.00 0.00 179.97 180.31 1upf h LEU 69 N -0.16 1.00 -0.94 3.80 5.85 -0.97 -2.96 115.31 120.93 1upf h LEU 69 Ca 0.02 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.60 1upf h LEU 69 Cb 0.28 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1upf h LEU 69 CO 0.00 0.93 0.60 0.40 -0.34 0.00 0.00 178.44 180.03 1upf h ILE 70 N 1.02 1.08 -0.72 4.05 2.04 -0.86 0.12 117.51 124.24 1upf h ILE 70 Ca 0.23 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1upf h ILE 70 Cb 0.27 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.19 1upf h ILE 70 CO -0.01 0.20 0.34 -0.09 0.00 0.00 0.00 178.15 178.59 1upf h ARG 71 N 1.10 1.03 -0.26 2.37 1.12 -1.34 0.68 114.38 119.08 1upf h ARG 71 Ca 0.41 -0.14 -0.10 0.00 -1.11 0.00 0.00 59.98 59.03 1upf h ARG 71 Cb 0.15 -0.19 -0.00 0.00 -0.01 0.00 0.00 29.97 29.92 1upf h ARG 71 CO -0.17 0.79 -0.25 -0.07 -3.11 0.00 0.00 179.97 177.17 1upf h LEU 72 N 1.02 0.66 -0.30 3.80 3.38 -0.97 -2.75 115.31 120.15 1upf h LEU 72 Ca 0.25 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.79 1upf h LEU 72 Cb 0.11 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1upf h LEU 72 CO -0.03 0.99 0.07 0.25 0.09 0.00 0.00 178.44 179.81 1upf h LEU 73 N 0.34 0.02 -0.60 1.67 5.85 -0.44 -1.39 115.31 120.76 1upf h LEU 73 Ca 0.04 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1upf h LEU 73 Cb 0.80 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1upf h LEU 73 CO 0.06 0.05 0.40 0.40 -0.34 0.00 0.00 178.44 179.01 1upf h ILE 74 N 0.18 1.14 -0.93 4.05 1.08 -0.90 0.87 117.51 123.00 1upf h ILE 74 Ca 0.14 -0.28 0.14 0.00 -0.39 0.00 0.00 64.86 64.48 1upf h ILE 74 Cb 0.15 0.27 -0.09 0.00 -3.07 0.00 0.00 36.82 34.07 1upf h ILE 74 CO -0.18 0.15 0.54 -0.33 -0.69 0.00 0.00 178.15 177.64 1upf h GLU 75 N 0.81 0.77 -0.00 2.37 4.39 -1.16 0.93 114.58 122.68 1upf h GLU 75 Ca 0.22 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 1upf h GLU 75 Cb -0.08 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.40 1upf h GLU 75 CO -0.05 0.51 -0.00 1.49 -1.16 0.00 0.00 179.01 179.79 1upf h GLU 76 N 0.79 0.01 -0.88 2.33 4.57 -0.10 -3.06 114.58 118.23 1upf h GLU 76 Ca 0.50 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.70 1upf h GLU 76 Cb 0.63 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.18 1upf h GLU 76 CO -0.33 0.39 0.58 0.00 -1.18 0.00 0.00 179.01 178.47 1upf h ALA 77 N 0.62 1.42 0.00 2.92 0.00 0.38 -2.10 119.26 122.50 1upf h ALA 77 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1upf h ALA 77 Cb 0.39 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1upf h ALA 77 CO 0.00 0.50 0.03 1.28 0.00 0.00 0.00 179.25 181.06 1upf n LEU 78 N -4.43 0.52 -0.17 0.00 4.77 0.31 -0.68 117.00 117.32 1upf n LEU 78 Ca 0.11 0.73 0.07 0.00 -0.03 0.00 0.00 56.01 56.90 1upf n LEU 78 Cb 0.08 -0.79 0.36 0.00 -2.33 0.00 0.00 43.42 40.74 1upf n LEU 78 CO 0.35 -0.91 0.74 0.59 -1.33 0.00 0.00 177.39 176.84 1upf n ASN 79 N -2.21 0.52 -0.32 -1.43 4.13 -0.79 -2.75 115.26 112.41 1upf n ASN 79 Ca -0.01 -1.65 0.12 0.00 1.68 0.00 0.00 54.58 54.72 1upf n ASN 79 Cb 0.06 -0.04 0.26 0.00 -1.54 0.00 0.00 39.78 38.51 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 -0.38 0.95 -1.40 3.52 -0.58 0.15 -4.92 120.64 117.98 1upf n GLU 80 Ca 0.11 -0.65 -0.31 0.00 -0.42 0.00 0.00 57.16 55.90 1upf n GLU 80 Cb 0.13 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 29.58 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 -2.50 3.09 0.29 -4.62 2.01 -1.11 -5.05 118.68 110.79 1upf s LEU 81 Ca 0.22 1.76 -0.07 0.00 0.01 0.00 0.00 54.13 56.05 1upf s LEU 81 Cb 0.19 -4.51 -0.06 0.00 0.01 0.00 0.00 46.19 41.82 1upf s LEU 81 CO 0.54 -1.80 0.59 -2.16 1.01 0.00 0.00 176.35 174.52 1upf s PRO 82 N -4.91 3.69 0.03 1.29 0.04 -1.26 -5.09 135.00 128.79 1upf s PRO 82 Ca 0.60 0.14 -0.07 0.00 0.04 0.00 0.00 61.00 61.72 1upf s PRO 82 Cb -0.16 -2.61 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 1upf s PRO 82 CO 0.55 0.20 0.13 -0.59 0.04 0.00 0.00 177.00 177.32 1upf s PHE 83 N -2.06 0.13 0.24 0.56 -0.71 -1.26 -3.88 117.98 111.00 1upf s PHE 83 Ca 0.46 -0.37 0.06 0.00 -1.04 0.00 0.00 56.93 56.03 1upf s PHE 83 Cb -0.11 -0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.57 1upf s PHE 83 CO 0.28 -0.36 0.29 -0.65 -1.34 0.00 0.00 175.22 173.44 1upf s GLN 84 N -2.32 3.23 0.45 1.99 -0.21 1.06 -4.89 119.66 118.97 1upf s GLN 84 Ca -0.07 -0.87 -0.18 0.00 0.02 0.00 0.00 55.36 54.26 1upf s GLN 84 Cb -0.03 -2.76 -0.09 0.00 1.00 0.00 0.00 33.01 31.13 1upf s GLN 84 CO -0.03 0.42 0.93 -1.59 -2.12 0.00 0.00 175.29 172.90 1upf s LYS 85 N -3.88 4.05 -0.08 2.91 0.00 -1.26 0.11 119.74 121.59 1upf s LYS 85 Ca 0.34 0.95 -0.07 0.00 0.00 0.00 0.00 55.97 57.19 1upf s LYS 85 Cb -0.09 -2.21 0.02 0.00 0.00 0.00 0.00 37.83 35.56 1upf s LYS 85 CO 0.27 -0.11 0.20 0.21 0.00 0.00 0.00 175.35 175.93 1upf s LYS 86 N -3.58 0.23 -0.10 1.78 2.20 -0.66 -4.58 119.74 115.03 1upf s LYS 86 Ca 0.59 0.29 0.03 0.00 -0.36 0.00 0.00 55.97 56.53 1upf s LYS 86 Cb -0.10 0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.31 1upf s LYS 86 CO 0.23 -0.04 -0.21 -2.00 -0.36 0.00 0.00 175.35 172.97 1upf s GLU 87 N 0.18 3.00 0.35 4.03 2.12 -1.26 0.32 118.70 127.45 1upf s GLU 87 Ca -0.01 -0.83 0.04 0.00 0.36 0.00 0.00 54.97 54.53 1upf s GLU 87 Cb -0.02 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.98 1upf s GLU 87 CO -0.00 0.25 0.14 0.14 -0.54 0.00 0.00 175.26 175.25 1upf s VAL 88 N 0.19 0.53 -0.07 3.70 -7.23 0.46 -4.93 120.40 113.05 1upf s VAL 88 Ca -0.13 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.07 1upf s VAL 88 Cb -0.16 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.31 1upf s VAL 88 CO 0.07 0.00 -0.12 0.28 -0.31 0.00 0.00 175.10 175.01 1upf s THR 89 N -3.40 1.16 0.79 5.32 -1.32 -1.26 0.35 115.64 117.27 1upf s THR 89 Ca 0.31 -0.49 -0.14 0.00 -1.21 0.00 0.00 61.69 60.16 1upf s THR 89 Cb 0.04 -1.06 0.04 0.00 -1.51 0.00 0.00 72.50 70.02 1upf s THR 89 CO 0.16 0.36 1.00 0.41 -2.21 0.00 0.00 174.62 174.34 1upf n THR 90 N 3.82 2.10 0.29 5.08 -1.04 -0.17 -4.86 114.28 119.50 1upf n THR 90 Ca -0.23 -0.28 0.17 0.00 -2.04 0.00 0.00 64.05 61.68 1upf n THR 90 Cb 0.52 -1.08 0.97 0.00 -1.82 0.00 0.00 70.33 68.92 1upf n THR 90 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1upf h PRO 91 N -0.70 0.00 0.00 -2.82 0.11 -2.00 1.13 132.00 127.72 1upf h PRO 91 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1upf h PRO 91 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1upf h PRO 91 CO 0.45 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.52 1upf n LEU 92 N -3.62 0.00 -2.49 2.35 7.99 -1.26 -4.90 117.00 115.07 1upf n LEU 92 Ca -0.02 0.20 -0.16 0.00 -0.01 0.00 0.00 56.01 56.03 1upf n LEU 92 Cb 0.14 -0.20 0.05 0.00 -0.11 0.00 0.00 43.42 43.29 1upf n LEU 92 CO 0.25 -0.04 0.14 0.47 -1.51 0.00 0.00 177.39 176.70 1upf n ASP 93 N -1.20 -4.88 -4.30 -1.43 8.00 0.39 -5.02 116.55 108.11 1upf n ASP 93 Ca 0.13 -0.33 -0.19 0.00 0.71 0.00 0.00 54.79 55.11 1upf n ASP 93 Cb 0.16 -3.50 -0.11 0.00 -0.02 0.00 0.00 41.12 37.65 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 -3.18 1.58 0.13 2.53 0.11 -1.25 -4.95 120.40 115.37 1upf s VAL 94 Ca 0.36 -1.93 -0.06 0.00 -2.93 0.00 0.00 61.98 57.42 1upf s VAL 94 Cb -0.16 -1.79 -0.06 0.00 -1.53 0.00 0.00 36.38 32.85 1upf s VAL 94 CO 0.45 -0.45 0.39 -0.94 -3.33 0.00 0.00 175.10 171.21 1upf s SER 95 N -2.80 6.53 0.04 3.54 1.04 -1.26 -1.00 113.70 119.80 1upf s SER 95 Ca 0.15 0.66 0.07 0.00 0.48 0.00 0.00 55.95 57.31 1upf s SER 95 Cb -0.04 -2.12 -0.02 0.00 0.10 0.00 0.00 66.02 63.94 1upf s SER 95 CO 0.05 0.08 -0.20 -0.47 0.98 0.00 0.00 173.24 173.68 1upf s TYR 96 N -1.60 1.73 -0.57 5.02 5.04 1.08 -4.90 117.35 123.16 1upf s TYR 96 Ca 0.39 -0.37 -0.14 0.00 -2.44 0.00 0.00 57.07 54.51 1upf s TYR 96 Cb -0.12 -1.03 0.14 0.00 0.35 0.00 0.00 41.96 41.30 1upf s TYR 96 CO 0.22 0.08 0.50 -1.01 -1.34 0.00 0.00 175.55 174.01 1upf s HIS 97 N -0.80 3.38 0.00 4.97 3.76 -1.26 -0.40 115.29 124.93 1upf s HIS 97 Ca 0.07 -1.58 0.00 0.00 -0.15 0.00 0.00 55.06 53.39 1upf s HIS 97 Cb -0.09 -3.71 0.00 0.00 1.11 0.00 0.00 32.58 29.89 1upf s HIS 97 CO 0.02 -1.00 0.00 0.41 -0.85 0.00 0.00 174.74 173.31 1upf n GLY 98 N 4.92 0.36 2.59 -2.22 0.00 0.96 -4.91 105.19 106.90 1upf n GLY 98 Ca -0.08 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 1upf n GLY 98 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1upf n VAL 99 N -1.32 -0.25 -1.72 1.61 0.24 -1.26 -1.65 118.33 113.98 1upf n VAL 99 Ca 0.00 -2.16 -0.43 0.00 -2.04 0.00 0.00 64.34 59.71 1upf n VAL 99 Cb 0.00 0.37 -0.02 0.00 -1.47 0.00 0.00 33.84 32.73 1upf n VAL 99 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1upf n SER 100 N 1.87 3.47 -4.83 -1.34 2.88 0.29 -4.47 113.62 111.49 1upf n SER 100 Ca 0.15 1.16 -0.35 0.00 -1.33 0.00 0.00 58.87 58.49 1upf n SER 100 Cb 0.59 -1.54 -0.06 0.00 -0.75 0.00 0.00 64.21 62.44 1upf n SER 100 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1upf s PHE 101 N -0.19 3.59 0.00 0.66 0.40 -1.26 0.35 117.98 121.52 1upf s PHE 101 Ca 0.64 1.23 0.00 0.00 -0.60 0.00 0.00 56.93 58.20 1upf s PHE 101 Cb -0.54 -2.51 0.00 0.00 0.51 0.00 0.00 43.02 40.48 1upf s PHE 101 CO 0.51 0.33 0.06 2.48 0.70 0.00 0.00 175.22 179.30 1upf n TYR 102 N 0.56 0.00 -2.45 0.36 0.18 -1.25 -4.89 117.16 109.68 1upf n TYR 102 Ca -0.02 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.44 1upf n TYR 102 Cb 0.52 0.03 -0.04 0.00 -0.38 0.00 0.00 39.34 39.47 1upf n TYR 102 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1upf s SER 103 N 0.00 6.63 0.26 9.48 1.04 -1.26 -5.05 113.70 124.80 1upf s SER 103 Ca 0.00 1.54 -0.29 0.00 0.48 0.00 0.00 55.95 57.68 1upf s SER 103 Cb 0.00 -2.50 -0.09 0.00 0.10 0.00 0.00 66.02 63.53 1upf s SER 103 CO 0.00 -0.56 0.98 -0.54 0.98 0.00 0.00 173.24 174.10 1upf s LYS 104 N -4.02 4.77 0.34 4.02 1.02 -1.26 -4.97 119.74 119.64 1upf s LYS 104 Ca 0.58 1.56 0.01 0.00 0.02 0.00 0.00 55.97 58.14 1upf s LYS 104 Cb -0.10 -3.20 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1upf s LYS 104 CO 0.31 0.41 0.42 0.96 -0.92 0.00 0.00 175.35 176.52 1upf s ILE 105 N -1.22 0.00 -0.12 2.17 -4.36 -1.26 -0.41 121.20 115.99 1upf s ILE 105 Ca 0.43 -1.73 -0.33 0.00 -0.26 0.00 0.00 60.65 58.76 1upf s ILE 105 Cb -0.27 -2.61 0.13 0.00 1.25 0.00 0.00 42.46 40.96 1upf s ILE 105 CO 0.34 0.00 1.14 0.00 0.24 0.00 0.00 174.94 176.65 1upf s GLY 107 N -2.34 1.77 -0.03 0.00 0.00 -0.67 -1.00 107.32 105.05 1upf s GLY 107 Ca 0.09 -1.24 -0.01 0.00 0.00 0.00 0.00 44.72 43.56 1upf s GLY 107 CO -0.05 -1.24 0.04 0.14 0.00 0.00 0.00 173.10 171.98 1upf s VAL 108 N -1.67 -0.07 0.01 1.40 1.01 0.13 -1.09 120.40 120.12 1upf s VAL 108 Ca 0.29 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1upf s VAL 108 Cb -0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 1upf s VAL 108 CO 0.21 0.13 0.03 -0.55 0.00 0.00 0.00 175.10 174.92 1upf s SER 109 N 1.50 5.28 -0.43 3.32 0.15 0.83 -0.10 113.70 124.25 1upf s SER 109 Ca -0.04 0.01 -0.17 0.00 0.70 0.00 0.00 55.95 56.46 1upf s SER 109 Cb -0.13 -1.41 0.03 0.00 -1.71 0.00 0.00 66.02 62.80 1upf s SER 109 CO -0.03 0.26 0.41 -0.63 1.20 0.00 0.00 173.24 174.45 1upf s ILE 110 N -1.15 5.13 0.27 6.45 1.01 -1.06 -0.80 121.20 131.05 1upf s ILE 110 Ca 0.22 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 1upf s ILE 110 Cb -0.12 -4.04 -0.11 0.00 0.01 0.00 0.00 42.46 38.21 1upf s ILE 110 CO 0.13 -0.43 1.48 -0.69 0.00 0.00 0.00 174.94 175.42 1upf s VAL 111 N 2.02 2.44 -0.23 2.92 1.01 -0.04 -0.89 120.40 127.62 1upf s VAL 111 Ca 0.10 0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1upf s VAL 111 Cb -0.18 -3.24 -0.18 0.00 0.00 0.00 0.00 36.38 32.77 1upf s VAL 111 CO 0.12 0.06 -0.12 -1.14 0.00 0.00 0.00 175.10 174.02 1upf n ARG 112 N 2.08 0.66 -0.36 2.72 0.63 -1.26 -4.61 116.66 116.52 1upf n ARG 112 Ca 0.06 0.20 0.28 0.00 -0.92 0.00 0.00 57.85 57.47 1upf n ARG 112 Cb 0.39 -1.56 0.53 0.00 0.45 0.00 0.00 32.46 32.28 1upf n ARG 112 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1upf h ALA 113 N -0.13 2.20 -0.08 5.13 0.00 -1.91 0.73 119.26 125.21 1upf h ALA 113 Ca -0.56 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1upf h ALA 113 Cb 1.87 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 1upf h ALA 113 CO -0.10 -0.82 -0.34 0.78 0.00 0.00 0.00 179.25 178.77 1upf h GLY 114 N 0.24 0.16 1.76 0.00 0.00 -1.21 -2.68 103.07 101.34 1upf h GLY 114 Ca 0.75 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.98 1upf h GLY 114 CO -0.54 0.12 0.09 0.83 0.00 0.00 0.00 176.54 177.04 1upf h GLU 115 N 0.13 0.00 0.00 4.80 5.08 -0.96 -0.14 114.58 123.49 1upf h GLU 115 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1upf h GLU 115 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1upf h GLU 115 CO 0.05 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.93 1upf n SER 116 N -3.98 0.51 0.01 1.42 3.41 -1.01 -2.26 113.62 111.73 1upf n SER 116 Ca -0.01 0.70 0.04 0.00 -0.26 0.00 0.00 58.87 59.34 1upf n SER 116 Cb 0.20 -0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 63.27 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 -2.14 0.64 -0.29 4.33 2.81 -0.06 -4.34 117.12 118.07 1upf n MET 117 Ca -0.00 0.04 0.08 0.00 -1.81 0.00 0.00 57.70 56.00 1upf n MET 117 Cb 0.09 -1.68 0.30 0.00 -0.71 0.00 0.00 33.22 31.22 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 0.85 -0.98 0.03 5.08 -1.53 -0.71 114.58 117.32 1upf h GLU 118 Ca -0.14 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1upf h GLU 118 Cb 1.38 -0.19 -0.07 0.00 0.50 0.00 0.00 28.75 30.37 1upf h GLU 118 CO 0.02 0.56 0.62 0.66 -1.00 0.00 0.00 179.01 179.88 1upf h SER 119 N 0.88 0.97 -0.48 1.42 4.64 -1.76 0.48 113.55 119.71 1upf h SER 119 Ca 0.42 0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.65 1upf h SER 119 Cb 0.44 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1upf h SER 119 CO -0.18 0.60 -0.12 1.23 -0.87 0.00 0.00 176.83 177.48 1upf h GLY 120 N 1.09 1.04 1.91 -0.77 0.00 -1.40 0.18 103.07 105.12 1upf h GLY 120 Ca 0.44 -0.84 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 1upf h GLY 120 CO -0.20 0.77 -0.37 -2.00 0.00 0.00 0.00 176.54 174.74 1upf h LEU 121 N 0.85 0.10 0.00 3.11 6.46 -0.23 -2.50 115.31 123.11 1upf h LEU 121 Ca 0.13 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.81 1upf h LEU 121 Cb 0.67 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 1upf h LEU 121 CO 0.05 0.47 -0.50 0.03 -0.62 0.00 0.00 178.44 177.87 1upf h ARG 122 N 0.09 0.00 -0.69 1.25 3.08 0.64 0.25 114.38 119.01 1upf h ARG 122 Ca 0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1upf h ARG 122 Cb 0.70 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 1upf h ARG 122 CO 0.05 0.18 0.28 0.00 -1.07 0.00 0.00 179.97 179.41 1upf h ALA 123 N 1.79 0.89 0.00 0.04 0.00 -0.25 -3.22 119.26 118.51 1upf h ALA 123 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1upf h ALA 123 Cb 1.18 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1upf h ALA 123 CO 0.02 0.50 -1.71 1.33 0.00 0.00 0.00 179.25 179.40 1upf n VAL 124 N -4.39 0.05 -3.84 0.00 0.24 -1.02 -4.74 118.33 104.62 1upf n VAL 124 Ca 0.05 -0.40 -0.30 0.00 -2.04 0.00 0.00 64.34 61.65 1upf n VAL 124 Cb 0.17 0.16 -0.13 0.00 -1.47 0.00 0.00 33.84 32.57 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 3.19 1.17 -2.50 0.00 3.00 -1.25 -1.11 116.66 119.16 1upf n ARG 126 Ca 0.08 0.43 -0.21 0.00 -0.01 0.00 0.00 57.85 58.14 1upf n ARG 126 Cb 0.33 -2.11 -0.00 0.00 0.00 0.00 0.00 32.46 30.68 1upf n ARG 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1upf n GLY 127 N 4.00 -0.50 3.77 -0.13 0.00 -1.26 -4.94 105.19 106.13 1upf n GLY 127 Ca 0.25 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 1upf n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upf s VAL 128 N -3.07 2.31 0.26 1.61 0.11 -0.27 -4.92 120.40 116.43 1upf s VAL 128 Ca 0.05 0.30 -0.30 0.00 -2.93 0.00 0.00 61.98 59.10 1upf s VAL 128 Cb -0.02 -3.19 -0.10 0.00 -1.53 0.00 0.00 36.38 31.54 1upf s VAL 128 CO 0.06 0.06 1.39 -0.13 -3.33 0.00 0.00 175.10 173.16 1upf s ARG 129 N -2.11 4.30 -0.04 1.54 0.52 -1.26 -4.90 118.95 116.99 1upf s ARG 129 Ca 0.54 2.25 0.07 0.00 -0.52 0.00 0.00 55.73 58.07 1upf s ARG 129 Cb -0.43 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 1upf s ARG 129 CO 0.57 -0.35 -0.24 0.42 0.02 0.00 0.00 175.30 175.72 1upf s ILE 130 N -0.26 1.95 0.01 1.52 -1.09 -1.26 -1.67 121.20 120.41 1upf s ILE 130 Ca 0.57 -1.03 0.08 0.00 -2.23 0.00 0.00 60.65 58.04 1upf s ILE 130 Cb -0.41 -1.64 -0.02 0.00 -1.58 0.00 0.00 42.46 38.81 1upf s ILE 130 CO 0.45 0.55 -0.24 -0.83 -1.23 0.00 0.00 174.94 173.64 1upf s GLY 131 N -0.32 1.24 -0.01 6.18 0.00 -0.25 -4.71 107.32 109.46 1upf s GLY 131 Ca 0.02 -1.12 0.06 0.00 0.00 0.00 0.00 44.72 43.68 1upf s GLY 131 CO 0.02 -0.98 -0.20 0.54 0.00 0.00 0.00 173.10 172.47 1upf s LYS 132 N -0.90 2.19 -0.06 2.90 1.02 0.79 -0.12 119.74 125.55 1upf s LYS 132 Ca 0.10 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 55.21 1upf s LYS 132 Cb -0.09 -2.18 0.02 0.00 -0.52 0.00 0.00 37.83 35.06 1upf s LYS 132 CO 0.01 0.57 -0.06 0.42 -0.92 0.00 0.00 175.35 175.37 1upf s ILE 133 N -0.75 0.72 -0.20 2.17 -1.09 0.02 -0.08 121.20 121.99 1upf s ILE 133 Ca 0.12 -0.18 -0.02 0.00 -2.23 0.00 0.00 60.65 58.33 1upf s ILE 133 Cb -0.10 -0.74 -0.00 0.00 -1.58 0.00 0.00 42.46 40.03 1upf s ILE 133 CO 0.01 0.28 -0.08 -0.22 -1.23 0.00 0.00 174.94 173.70 1upf s LEU 134 N 1.18 2.75 -0.10 2.97 2.96 0.25 -0.86 118.68 127.82 1upf s LEU 134 Ca -0.06 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 1upf s LEU 134 Cb -0.14 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.89 1upf s LEU 134 CO -0.01 0.01 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.25 1upf s ILE 135 N 1.26 1.42 -0.10 6.68 1.01 -1.26 0.21 121.20 130.43 1upf s ILE 135 Ca 0.03 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.11 1upf s ILE 135 Cb -0.14 -1.30 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1upf s ILE 135 CO -0.03 0.42 -0.20 0.00 0.00 0.00 0.00 174.94 175.13 1upf s GLN 136 N 0.93 3.01 0.87 2.79 -2.07 0.37 -4.78 119.66 120.79 1upf s GLN 136 Ca -0.08 -0.81 -0.12 0.00 -1.82 0.00 0.00 55.36 52.53 1upf s GLN 136 Cb -0.15 -2.38 0.11 0.00 -1.09 0.00 0.00 33.01 29.49 1upf s GLN 136 CO -0.00 0.26 1.07 -2.13 -1.32 0.00 0.00 175.29 173.17 1upf n ARG 137 N 3.32 -0.18 -3.61 9.60 3.00 -1.26 0.83 116.66 128.36 1upf n ARG 137 Ca -0.18 0.02 -0.37 0.00 -0.00 0.00 0.00 57.85 57.32 1upf n ARG 137 Cb 0.53 -2.32 -0.09 0.00 0.00 0.00 0.00 32.46 30.57 1upf n ARG 137 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1upf s ASP 138 N -2.33 6.20 0.00 6.15 2.15 0.54 -4.71 116.67 124.66 1upf s ASP 138 Ca 0.68 0.21 0.00 0.00 0.43 0.00 0.00 52.55 53.87 1upf s ASP 138 Cb -0.26 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1upf s ASP 138 CO 0.56 0.05 0.30 -0.62 -0.17 0.00 0.00 175.17 175.29 1upf n GLU 139 N 4.23 0.00 -0.19 4.34 1.02 -1.26 -0.45 120.64 128.33 1upf n GLU 139 Ca -0.14 0.30 -0.12 0.00 -0.02 0.00 0.00 57.16 57.18 1upf n GLU 139 Cb 0.52 -0.71 -0.08 0.00 -0.02 0.00 0.00 31.44 31.14 1upf n GLU 139 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1upf h THR 140 N 0.00 0.02 0.00 2.62 1.35 -2.00 -3.40 112.91 111.50 1upf h THR 140 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1upf h THR 140 Cb 0.00 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.44 1upf h THR 140 CO 0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 1upf n THR 141 N -5.37 0.00 -1.08 6.82 -2.24 -1.17 -5.07 114.28 106.17 1upf n THR 141 Ca -0.02 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1upf n THR 141 Cb 0.33 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.12 -2.18 6.98 0.00 0.41 -4.77 120.51 117.83 1upf n ALA 142 Ca 0.00 -0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1upf n ALA 142 Cb 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.36 1upf n ALA 142 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1upf s GLU 143 N 0.00 4.51 0.11 0.00 -1.05 -1.26 -4.12 118.70 116.90 1upf s GLU 143 Ca 0.00 1.08 -0.30 0.00 -0.15 0.00 0.00 54.97 55.60 1upf s GLU 143 Cb 0.00 -3.30 -0.07 0.00 -0.44 0.00 0.00 34.13 30.32 1upf s GLU 143 CO 0.00 0.46 1.22 -1.25 0.95 0.00 0.00 175.26 176.64 1upf s PRO 144 N -0.70 4.44 0.04 -4.83 0.05 -1.26 0.20 135.00 132.94 1upf s PRO 144 Ca 0.36 1.83 0.09 0.00 0.05 0.00 0.00 61.00 63.33 1upf s PRO 144 Cb -0.22 -3.30 -0.03 0.00 0.05 0.00 0.00 34.50 31.01 1upf s PRO 144 CO 0.24 -0.21 -0.25 0.15 0.05 0.00 0.00 177.00 176.98 1upf s LYS 145 N 0.60 1.71 -0.47 4.56 -0.14 0.24 -4.88 119.74 121.38 1upf s LYS 145 Ca 0.57 -1.05 -0.28 0.00 -1.36 0.00 0.00 55.97 53.85 1upf s LYS 145 Cb -0.31 -1.86 -0.00 0.00 -1.68 0.00 0.00 37.83 33.98 1upf s LYS 145 CO 0.32 0.48 1.59 -1.17 -0.76 0.00 0.00 175.35 175.81 1upf s LEU 146 N -1.17 3.46 -0.06 3.17 2.96 -1.26 0.14 118.68 125.91 1upf s LEU 146 Ca 0.11 0.71 -0.06 0.00 -0.22 0.00 0.00 54.13 54.66 1upf s LEU 146 Cb -0.10 -3.22 -0.28 0.00 0.50 0.00 0.00 46.19 43.09 1upf s LEU 146 CO 0.02 -1.75 0.60 0.40 -1.32 0.00 0.00 176.35 174.30 1upf h ILE 147 N 6.60 0.86 -2.42 6.68 5.03 0.21 -3.47 117.51 131.00 1upf h ILE 147 Ca -0.29 -2.52 -0.02 0.00 -0.12 0.00 0.00 64.86 61.92 1upf h ILE 147 Cb 1.13 2.65 -0.16 0.00 -3.03 0.00 0.00 36.82 37.41 1upf h ILE 147 CO 1.12 0.84 0.25 -0.47 -0.68 0.00 0.00 178.15 179.21 1upf s TYR 148 N -2.58 -0.56 -0.11 1.37 6.14 -0.48 -4.96 117.35 116.17 1upf s TYR 148 Ca -0.16 0.68 -0.24 0.00 0.64 0.00 0.00 57.07 57.99 1upf s TYR 148 Cb 0.06 0.49 0.06 0.00 0.42 0.00 0.00 41.96 42.99 1upf s TYR 148 CO 0.82 -0.69 0.58 -1.83 0.64 0.00 0.00 175.55 175.07 1upf s GLU 149 N -2.43 0.86 -0.27 4.97 4.04 -1.26 0.84 118.70 125.44 1upf s GLU 149 Ca -0.04 0.37 -0.00 0.00 0.04 0.00 0.00 54.97 55.34 1upf s GLU 149 Cb -0.01 0.40 0.15 0.00 0.02 0.00 0.00 34.13 34.70 1upf s GLU 149 CO -0.02 -0.21 0.38 0.21 -1.84 0.00 0.00 175.26 173.78 1upf s LYS 150 N -0.68 0.38 0.30 -4.83 2.47 0.88 -4.99 119.74 113.27 1upf s LYS 150 Ca -0.08 0.26 0.10 0.00 -1.56 0.00 0.00 55.97 54.70 1upf s LYS 150 Cb -0.03 -0.41 -0.06 0.00 -1.46 0.00 0.00 37.83 35.87 1upf s LYS 150 CO 0.06 -0.88 -0.13 -0.51 0.16 0.00 0.00 175.35 174.05 1upf s LEU 151 N 2.53 2.63 0.57 5.43 1.43 -1.26 -0.15 118.68 129.86 1upf s LEU 151 Ca 0.11 -1.12 -0.19 0.00 -1.03 0.00 0.00 54.13 51.89 1upf s LEU 151 Cb -0.14 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 1upf s LEU 151 CO -0.25 -0.13 1.20 -2.84 0.23 0.00 0.00 176.35 174.56 1upf s PRO 152 N -3.59 3.10 0.13 1.29 0.02 -1.26 -4.93 135.00 129.76 1upf s PRO 152 Ca 0.30 1.80 -0.21 0.00 0.02 0.00 0.00 61.00 62.92 1upf s PRO 152 Cb -0.00 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 1upf s PRO 152 CO 0.15 -1.10 1.70 0.00 -0.33 0.00 0.00 177.00 177.42 1upf h ALA 153 N 1.05 0.08 -0.65 -1.55 0.00 -2.01 -2.94 119.26 113.23 1upf h ALA 153 Ca -0.50 0.07 -0.37 0.00 0.00 0.00 0.00 54.91 54.10 1upf h ALA 153 Cb 1.29 0.17 -0.20 0.00 0.00 0.00 0.00 17.79 19.05 1upf h ALA 153 CO 0.56 -0.51 0.47 -0.40 0.00 0.00 0.00 179.25 179.38 1upf n ASP 154 N -5.21 4.50 0.27 0.00 5.75 -1.26 -4.62 116.55 115.97 1upf n ASP 154 Ca -0.03 -3.13 0.12 0.00 -0.01 0.00 0.00 54.79 51.74 1upf n ASP 154 Cb 0.14 -0.81 0.77 0.00 -1.03 0.00 0.00 41.12 40.19 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 0.76 0.71 -0.03 2.12 2.10 -1.90 -1.66 117.51 119.61 1upf h ILE 155 Ca 0.41 -0.19 0.01 0.00 1.08 0.00 0.00 64.86 66.17 1upf h ILE 155 Cb 1.83 1.11 -0.00 0.00 -1.09 0.00 0.00 36.82 38.67 1upf h ILE 155 CO 0.82 0.05 0.04 0.08 -1.08 0.00 0.00 178.15 178.06 1upf h ARG 156 N 0.00 0.00 -0.01 2.19 0.11 -1.82 -1.19 114.38 113.66 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 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 1upf h ARG 156 CO 0.01 0.00 -0.40 0.39 0.10 0.00 0.00 179.97 180.06 1upf n GLU 157 N -3.70 0.93 -3.26 0.08 1.02 -0.62 -4.47 120.64 110.62 1upf n GLU 157 Ca -0.02 -0.68 -0.19 0.00 -0.02 0.00 0.00 57.16 56.25 1upf n GLU 157 Cb 0.13 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.54 3.02 0.11 3.49 0.52 -0.45 -4.79 118.95 118.32 1upf s ARG 158 Ca 0.20 -0.94 -0.09 0.00 -0.52 0.00 0.00 55.73 54.38 1upf s ARG 158 Cb 0.18 -2.74 -0.06 0.00 0.52 0.00 0.00 34.95 32.85 1upf s ARG 158 CO 0.57 -0.10 0.41 -1.58 0.02 0.00 0.00 175.30 174.62 1upf s TRP 159 N -2.31 3.55 -0.04 -0.53 0.52 0.45 -4.83 118.94 115.74 1upf s TRP 159 Ca 0.48 0.75 0.07 0.00 0.02 0.00 0.00 56.10 57.42 1upf s TRP 159 Cb -0.10 -2.14 -0.01 0.00 -1.15 0.00 0.00 33.47 30.07 1upf s TRP 159 CO 0.33 0.47 -0.25 0.14 0.02 0.00 0.00 176.95 177.67 1upf s VAL 160 N -1.49 2.10 -0.42 4.03 -7.23 -0.49 -1.87 120.40 115.02 1upf s VAL 160 Ca 0.36 -1.07 -0.13 0.00 -1.81 0.00 0.00 61.98 59.33 1upf s VAL 160 Cb -0.13 -1.74 0.05 0.00 0.56 0.00 0.00 36.38 35.11 1upf s VAL 160 CO 0.20 0.57 0.30 -0.04 -0.31 0.00 0.00 175.10 175.82 1upf s MET 161 N -0.35 2.88 -0.23 4.82 -1.94 -0.17 0.39 119.30 124.70 1upf s MET 161 Ca 0.02 -1.20 -0.17 0.00 -1.71 0.00 0.00 55.69 52.63 1upf s MET 161 Cb -0.12 -3.94 -0.03 0.00 2.01 0.00 0.00 34.83 32.75 1upf s MET 161 CO 0.02 -0.86 0.48 -1.17 -0.01 0.00 0.00 175.02 173.48 1upf s LEU 162 N 1.60 4.10 -0.15 -0.03 0.20 0.20 0.18 118.68 124.77 1upf s LEU 162 Ca 0.04 0.54 -0.03 0.00 0.69 0.00 0.00 54.13 55.37 1upf s LEU 162 Cb -0.21 -2.62 -0.02 0.00 -0.43 0.00 0.00 46.19 42.90 1upf s LEU 162 CO 0.07 -0.21 -0.06 -0.76 -0.29 0.00 0.00 176.35 175.10 1upf s LEU 163 N 1.90 3.09 -0.30 -0.68 1.43 0.86 -0.60 118.68 124.38 1upf s LEU 163 Ca 0.21 -0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1upf s LEU 163 Cb -0.15 -1.73 0.17 0.00 0.03 0.00 0.00 46.19 44.50 1upf s LEU 163 CO 0.09 0.16 0.68 -0.62 0.23 0.00 0.00 176.35 176.89 1upf s ASP 164 N 0.42 -1.18 0.30 2.29 2.15 -0.91 -2.57 116.67 117.18 1upf s ASP 164 Ca -0.06 1.01 0.03 0.00 0.43 0.00 0.00 52.55 53.96 1upf s ASP 164 Cb -0.15 2.10 0.61 0.00 -0.30 0.00 0.00 42.92 45.18 1upf s ASP 164 CO 0.03 -0.22 1.86 1.55 -0.17 0.00 0.00 175.17 178.22 1upf h PRO 165 N 7.97 0.91 -6.70 4.34 0.13 -1.81 -3.36 132.00 133.47 1upf h PRO 165 Ca -0.20 -0.05 -0.68 0.00 -0.87 0.00 0.00 66.00 64.19 1upf h PRO 165 Cb 1.14 -0.20 -0.19 0.00 0.13 0.00 0.00 31.00 31.87 1upf h PRO 165 CO 0.17 0.60 -0.80 -1.64 -0.23 0.00 0.00 178.00 176.09 1upf s MET 166 N -5.88 1.83 -0.47 0.86 -1.94 -1.26 -0.75 119.30 111.68 1upf s MET 166 Ca -0.11 -1.15 0.04 0.00 -1.71 0.00 0.00 55.69 52.76 1upf s MET 166 Cb 0.22 -2.12 0.17 0.00 2.01 0.00 0.00 34.83 35.10 1upf s MET 166 CO 0.80 0.49 0.36 0.00 -0.01 0.00 0.00 175.02 176.66 1upf n ALA 168 N 2.77 0.00 0.23 0.00 0.00 -1.26 -1.75 120.51 120.49 1upf n ALA 168 Ca 0.26 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.82 1upf n ALA 168 Cb 0.44 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 0.00 0.00 1.35 -1.93 -2.25 112.91 110.09 1upf h THR 169 Ca 0.00 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1upf h THR 169 Cb 0.00 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1upf h THR 169 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1upf n ALA 170 N -2.09 0.00 0.04 6.62 0.00 -1.26 -4.55 120.51 119.27 1upf n ALA 170 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1upf n ALA 170 Cb 0.52 -0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.90 0.81 0.00 0.00 -1.97 0.34 103.07 101.36 1upf h GLY 171 Ca 0.00 0.58 0.04 0.00 0.00 0.00 0.00 47.33 47.95 1upf h GLY 171 CO 0.00 -0.24 0.48 1.48 0.00 0.00 0.00 176.54 178.26 1upf h SER 172 N -0.60 0.77 0.55 0.19 4.64 -1.96 -0.34 113.55 116.81 1upf h SER 172 Ca 0.04 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1upf h SER 172 Cb 0.68 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1upf h SER 172 CO -0.36 0.52 0.00 0.55 -0.87 0.00 0.00 176.83 176.67 1upf n VAL 173 N -4.65 0.03 0.05 0.95 3.14 -0.85 -1.67 118.33 115.33 1upf n VAL 173 Ca 0.09 0.01 0.04 0.00 -2.96 0.00 0.00 64.34 61.53 1upf n VAL 173 Cb 0.12 -0.52 -0.06 0.00 -1.06 0.00 0.00 33.84 32.32 1upf n VAL 173 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1upf h LYS 175 N 0.00 0.03 -0.86 0.00 1.63 -0.67 -2.10 116.57 114.60 1upf h LYS 175 Ca -0.11 -0.03 0.16 0.00 -0.85 0.00 0.00 60.65 59.83 1upf h LYS 175 Cb 1.36 0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.90 1upf h LYS 175 CO 0.03 0.70 0.42 0.00 -3.45 0.00 0.00 179.45 177.14 1upf h ALA 176 N 0.34 1.31 -0.05 5.00 0.00 -1.48 -0.65 119.26 123.73 1upf h ALA 176 Ca -0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1upf h ALA 176 Cb 0.70 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1upf h ALA 176 CO 0.01 -0.16 0.01 0.82 0.00 0.00 0.00 179.25 179.93 1upf h ILE 177 N 0.56 1.19 -0.42 0.00 2.04 -1.64 -1.14 117.51 118.10 1upf h ILE 177 Ca 0.49 -0.57 0.09 0.00 1.00 0.00 0.00 64.86 65.86 1upf h ILE 177 Cb 0.75 1.49 -0.09 0.00 -0.74 0.00 0.00 36.82 38.23 1upf h ILE 177 CO -0.40 0.16 -0.16 -0.08 0.00 0.00 0.00 178.15 177.67 1upf h GLU 178 N -0.15 -0.06 -0.42 2.37 4.81 -0.63 0.56 114.58 121.06 1upf h GLU 178 Ca 0.01 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 1upf h GLU 178 Cb 0.24 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1upf h GLU 178 CO 0.00 -0.04 -0.02 -0.39 -0.73 0.00 0.00 179.01 177.83 1upf h VAL 179 N -0.07 1.23 -0.00 0.32 -1.51 -0.96 -1.73 116.25 113.54 1upf h VAL 179 Ca 0.20 -0.97 0.01 0.00 -1.23 0.00 0.00 66.70 64.71 1upf h VAL 179 Cb 0.38 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 30.47 1upf h VAL 179 CO -0.47 0.33 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.10 1upf h LEU 180 N 0.65 -0.10 -0.84 4.19 -0.00 0.31 0.48 115.31 120.00 1upf h LEU 180 Ca 0.13 0.02 0.09 0.00 -0.00 0.00 0.00 57.88 58.12 1upf h LEU 180 Cb 0.44 0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 41.07 1upf h LEU 180 CO 0.02 -0.05 0.48 -0.07 -0.00 0.00 0.00 178.44 178.82 1upf h LEU 181 N -0.06 0.70 -1.07 1.67 3.38 0.22 -0.63 115.31 119.52 1upf h LEU 181 Ca 0.02 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1upf h LEU 181 Cb 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1upf h LEU 181 CO -0.04 0.40 -0.41 -0.09 0.09 0.00 0.00 178.44 178.40 1upf h ARG 182 N 0.81 0.00 0.00 1.13 2.43 -0.70 0.13 114.38 118.19 1upf h ARG 182 Ca 0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 1upf h ARG 182 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1upf h ARG 182 CO -0.24 0.41 0.00 1.28 -1.51 0.00 0.00 179.97 179.90 1upf n LEU 183 N -3.74 0.00 0.00 3.80 7.99 0.10 -4.86 117.00 120.29 1upf n LEU 183 Ca -0.01 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.16 1upf n LEU 183 Cb 0.48 -0.17 0.00 0.00 -0.11 0.00 0.00 43.42 43.63 1upf n LEU 183 CO 0.38 -0.02 0.00 0.61 -1.51 0.00 0.00 177.39 176.85 1upf n GLY 184 N 0.96 1.03 3.73 -0.72 0.00 0.45 -4.54 105.19 106.10 1upf n GLY 184 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 3.86 0.02 1.61 1.01 -0.53 -4.70 120.40 119.67 1upf s VAL 185 Ca 0.00 1.53 -0.30 0.00 0.00 0.00 0.00 61.98 63.20 1upf s VAL 185 Cb 0.00 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1upf s VAL 185 CO 0.00 0.22 1.14 -0.54 0.00 0.00 0.00 175.10 175.92 1upf s LYS 186 N 0.00 4.45 0.37 2.72 -0.14 -1.26 -4.35 119.74 121.53 1upf s LYS 186 Ca 0.52 1.65 0.13 0.00 -1.36 0.00 0.00 55.97 56.92 1upf s LYS 186 Cb -0.30 -3.41 0.96 0.00 -1.68 0.00 0.00 37.83 33.40 1upf s LYS 186 CO 0.34 -0.23 1.80 1.49 -0.76 0.00 0.00 175.35 177.99 1upf h GLU 187 N 6.90 0.52 -0.01 1.68 4.81 -1.93 0.24 114.58 126.79 1upf h GLU 187 Ca -0.40 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1upf h GLU 187 Cb 1.21 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1upf h GLU 187 CO 0.81 0.35 0.00 -0.85 -0.73 0.00 0.00 179.01 178.58 1upf n GLU 188 N -4.65 1.13 -0.55 1.92 0.00 -1.25 -2.96 120.64 114.28 1upf n GLU 188 Ca 0.23 -0.19 0.09 0.00 0.00 0.00 0.00 57.16 57.28 1upf n GLU 188 Cb 0.71 -1.47 0.32 0.00 0.00 0.00 0.00 31.44 31.00 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 -0.74 3.59 -3.78 3.44 1.74 0.83 -4.84 116.66 116.89 1upf n ARG 189 Ca 0.22 -2.80 -0.36 0.00 -0.77 0.00 0.00 57.85 54.14 1upf n ARG 189 Cb 0.15 -1.83 -0.12 0.00 -1.02 0.00 0.00 32.46 29.65 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 -1.94 4.57 -0.30 0.55 1.01 -1.16 -1.39 121.20 122.55 1upf s ILE 190 Ca 0.47 -0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.97 1upf s ILE 190 Cb 0.31 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.67 1upf s ILE 190 CO 0.21 0.35 0.07 -0.63 0.00 0.00 0.00 174.94 174.93 1upf s ILE 191 N 1.40 3.78 -0.49 2.92 1.01 0.16 -2.37 121.20 127.61 1upf s ILE 191 Ca 0.06 -0.85 -0.22 0.00 0.00 0.00 0.00 60.65 59.63 1upf s ILE 191 Cb -0.15 -3.00 0.04 0.00 0.01 0.00 0.00 42.46 39.36 1upf s ILE 191 CO 0.04 0.02 0.79 0.12 0.00 0.00 0.00 174.94 175.92 1upf s PHE 192 N 1.45 2.95 -0.34 3.97 5.36 0.96 0.61 117.98 132.94 1upf s PHE 192 Ca 0.01 -0.04 -0.18 0.00 -0.96 0.00 0.00 56.93 55.77 1upf s PHE 192 Cb -0.18 -3.74 -0.01 0.00 -0.34 0.00 0.00 43.02 38.76 1upf s PHE 192 CO 0.02 -1.10 0.49 0.08 -1.46 0.00 0.00 175.22 173.25 1upf s VAL 193 N 3.33 5.04 0.01 3.12 1.01 0.23 -0.39 120.40 132.75 1upf s VAL 193 Ca 0.27 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1upf s VAL 193 Cb -0.14 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1upf s VAL 193 CO 0.19 -0.16 -0.02 0.21 0.00 0.00 0.00 175.10 175.32 1upf s ASN 194 N 1.73 0.17 -0.16 3.32 3.84 -0.21 -2.13 114.94 121.51 1upf s ASN 194 Ca 0.18 -0.34 -0.19 0.00 0.21 0.00 0.00 52.86 52.73 1upf s ASN 194 Cb -0.16 0.07 -0.16 0.00 -0.55 0.00 0.00 41.25 40.45 1upf s ASN 194 CO 0.13 -0.20 0.28 0.40 -2.79 0.00 0.00 177.10 174.92 1upf h ILE 195 N 4.81 0.89 -3.41 -5.21 2.04 -1.09 -2.95 117.51 112.59 1upf h ILE 195 Ca -0.29 -1.87 -0.52 0.00 1.00 0.00 0.00 64.86 63.18 1upf h ILE 195 Cb 1.21 1.88 -0.33 0.00 -0.74 0.00 0.00 36.82 38.84 1upf h ILE 195 CO 0.44 0.30 -0.82 -0.22 0.00 0.00 0.00 178.15 177.86 1upf s LEU 196 N -8.13 1.65 0.28 1.44 0.20 -0.39 -1.01 118.68 112.72 1upf s LEU 196 Ca -0.20 -0.31 0.08 0.00 0.69 0.00 0.00 54.13 54.40 1upf s LEU 196 Cb 0.02 -0.84 -0.06 0.00 -0.43 0.00 0.00 46.19 44.88 1upf s LEU 196 CO 0.48 0.03 -0.09 0.00 -0.29 0.00 0.00 176.35 176.48 1upf s ALA 197 N 0.67 2.45 -0.05 5.97 0.00 -0.40 -0.23 121.76 130.17 1upf s ALA 197 Ca -0.14 -1.90 0.04 0.00 0.00 0.00 0.00 51.96 49.96 1upf s ALA 197 Cb -0.16 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1upf s ALA 197 CO 0.04 0.01 -0.17 0.00 0.00 0.00 0.00 175.76 175.63 1upf s ALA 198 N -2.89 2.52 0.25 0.00 0.00 -0.72 -1.26 121.76 119.67 1upf s ALA 198 Ca 0.29 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 1upf s ALA 198 Cb 0.02 -0.89 0.48 0.00 0.00 0.00 0.00 23.12 22.73 1upf s ALA 198 CO 0.12 0.51 1.64 -1.35 0.00 0.00 0.00 175.76 176.68 1upf h PRO 199 N 5.57 0.12 -0.54 0.00 0.11 -1.84 -0.36 132.00 135.05 1upf h PRO 199 Ca -0.42 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.79 1upf h PRO 199 Cb 1.15 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.14 1upf h PRO 199 CO 0.50 0.08 -0.12 0.37 -0.21 0.00 0.00 178.00 178.61 1upf h GLN 200 N 0.12 0.01 -0.24 1.05 4.15 -1.93 1.23 115.11 119.50 1upf h GLN 200 Ca 0.44 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.80 1upf h GLN 200 Cb 0.79 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 1upf h GLN 200 CO -0.67 0.01 -0.08 0.78 -1.93 0.00 0.00 178.83 176.94 1upf h GLY 201 N 0.01 0.51 0.27 2.39 0.00 -0.47 -1.79 103.07 103.98 1upf h GLY 201 Ca 0.26 -0.43 0.15 0.00 0.00 0.00 0.00 47.33 47.31 1upf h GLY 201 CO -0.55 0.39 0.50 -2.22 0.00 0.00 0.00 176.54 174.67 1upf h ILE 202 N 0.20 0.77 0.00 2.60 2.04 0.30 0.31 117.51 123.73 1upf h ILE 202 Ca 0.06 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1upf h ILE 202 Cb 0.55 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1upf h ILE 202 CO 0.03 0.13 -0.00 -0.33 0.00 0.00 0.00 178.15 177.97 1upf h GLU 203 N 0.72 -0.01 -0.50 2.37 5.08 0.18 -2.81 114.58 119.61 1upf h GLU 203 Ca 0.48 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.81 1upf h GLU 203 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1upf h GLU 203 CO -0.34 -0.01 0.18 -0.09 -1.00 0.00 0.00 179.01 177.75 1upf h ARG 204 N -0.01 0.76 -0.34 2.33 1.12 -0.43 -1.13 114.38 116.68 1upf h ARG 204 Ca 0.00 -0.15 0.07 0.00 -1.11 0.00 0.00 59.98 58.79 1upf h ARG 204 Cb 0.01 -0.12 -0.08 0.00 -0.01 0.00 0.00 29.97 29.77 1upf h ARG 204 CO -0.00 0.70 -0.30 -0.24 -3.11 0.00 0.00 179.97 177.02 1upf h VAL 205 N 0.67 0.28 0.00 0.20 3.04 -0.86 -1.21 116.25 118.37 1upf h VAL 205 Ca 0.16 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.71 1upf h VAL 205 Cb 0.24 0.28 -0.02 0.00 -2.01 0.00 0.00 31.29 29.77 1upf h VAL 205 CO -0.01 0.00 -0.68 -0.26 -1.01 0.00 0.00 177.57 175.61 1upf h PHE 206 N -0.26 0.00 -0.51 3.17 0.04 -1.44 0.50 116.94 118.43 1upf h PHE 206 Ca 0.16 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.87 1upf h PHE 206 Cb 0.52 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 1upf h PHE 206 CO -0.49 0.68 0.09 -0.22 -0.60 0.00 0.00 178.31 177.77 1upf h LYS 207 N 0.00 0.85 0.04 1.51 3.64 -1.00 -0.19 116.57 121.42 1upf h LYS 207 Ca -0.01 -0.22 -0.27 0.00 -1.27 0.00 0.00 60.65 58.88 1upf h LYS 207 Cb 1.33 -0.10 0.02 0.00 -0.41 0.00 0.00 32.23 33.07 1upf h LYS 207 CO 0.09 0.83 -1.10 0.93 -2.27 0.00 0.00 179.45 177.94 1upf h GLU 208 N 0.73 0.61 -1.22 1.90 4.39 -1.04 -3.39 114.58 116.57 1upf h GLU 208 Ca 0.16 -0.71 -0.40 0.00 0.34 0.00 0.00 59.36 58.74 1upf h GLU 208 Cb 0.39 0.22 -0.40 0.00 -0.10 0.00 0.00 28.75 28.86 1upf h GLU 208 CO 0.01 1.30 -1.14 0.66 -1.16 0.00 0.00 179.01 178.68 1upf n TYR 209 N -3.80 1.29 -0.19 4.33 4.01 0.17 -4.97 117.16 117.99 1upf n TYR 209 Ca -0.11 -2.99 0.17 0.00 -0.16 0.00 0.00 57.90 54.81 1upf n TYR 209 Cb 0.91 -0.36 0.30 0.00 -0.31 0.00 0.00 39.34 39.88 1upf n TYR 209 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1upf n PRO 210 N -0.06 -0.02 0.00 -0.72 -0.04 -0.09 -1.30 135.00 132.77 1upf n PRO 210 Ca 0.15 0.60 0.12 0.00 -0.04 0.00 0.00 63.50 64.33 1upf n PRO 210 Cb 0.77 -1.15 0.57 0.00 -0.04 0.00 0.00 33.50 33.66 1upf n PRO 210 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1upf n LYS 211 N -3.76 0.25 -2.99 0.54 5.02 -1.26 -4.88 118.16 111.09 1upf n LYS 211 Ca 0.18 0.07 -0.28 0.00 -2.02 0.00 0.00 58.31 56.27 1upf n LYS 211 Cb 0.68 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.18 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 -2.68 4.95 -0.00 -0.18 -7.23 -0.42 -3.89 120.40 110.94 1upf s VAL 212 Ca 0.20 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 1upf s VAL 212 Cb 0.16 -3.80 -0.04 0.00 0.56 0.00 0.00 36.38 33.26 1upf s VAL 212 CO 0.38 -0.60 0.06 -0.13 -0.31 0.00 0.00 175.10 174.50 1upf s ARG 213 N -4.18 2.98 -0.05 4.82 3.00 -1.00 -4.85 118.95 119.67 1upf s ARG 213 Ca 0.46 -0.53 0.02 0.00 0.00 0.00 0.00 55.73 55.69 1upf s ARG 213 Cb -0.10 -2.80 0.01 0.00 0.00 0.00 0.00 34.95 32.06 1upf s ARG 213 CO 0.37 0.64 -0.11 1.41 0.00 0.00 0.00 175.30 177.61 1upf s MET 214 N -1.71 1.42 -0.13 3.54 -2.45 -0.80 -0.03 119.30 119.14 1upf s MET 214 Ca 0.22 -0.36 0.02 0.00 -1.25 0.00 0.00 55.69 54.32 1upf s MET 214 Cb -0.12 -1.22 -0.00 0.00 1.25 0.00 0.00 34.83 34.73 1upf s MET 214 CO 0.13 0.05 -0.18 0.08 1.05 0.00 0.00 175.02 176.15 1upf s VAL 215 N 0.55 2.52 0.07 10.11 1.01 0.47 0.07 120.40 135.20 1upf s VAL 215 Ca -0.11 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 1upf s VAL 215 Cb -0.14 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1upf s VAL 215 CO 0.02 0.54 -0.01 0.28 0.00 0.00 0.00 175.10 175.93 1upf s THR 216 N 0.49 0.20 -0.10 3.92 -1.32 0.52 -1.05 115.64 118.30 1upf s THR 216 Ca -0.12 -1.84 0.18 0.00 -1.21 0.00 0.00 61.69 58.70 1upf s THR 216 Cb -0.17 -1.66 -0.26 0.00 -1.51 0.00 0.00 72.50 68.91 1upf s THR 216 CO 0.05 -0.86 0.25 0.00 -2.21 0.00 0.00 174.62 171.85 1upf n ALA 217 N 0.05 2.16 -3.42 11.08 0.00 -0.18 -1.34 120.51 128.87 1upf n ALA 217 Ca -0.12 -0.81 -0.16 0.00 0.00 0.00 0.00 53.44 52.35 1upf n ALA 217 Cb 0.62 -0.41 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 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 -2.91 -1.46 -0.08 0.00 0.00 -0.29 -4.63 121.76 112.39 1upf s ALA 218 Ca -0.08 0.97 0.02 0.00 0.00 0.00 0.00 51.96 52.87 1upf s ALA 218 Cb 0.09 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.30 1upf s ALA 218 CO 0.77 -0.36 -0.14 0.08 0.00 0.00 0.00 175.76 176.11 1upf s VAL 219 N -1.40 1.32 0.22 0.00 1.01 -1.26 -1.28 120.40 119.01 1upf s VAL 219 Ca -0.11 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.37 1upf s VAL 219 Cb -0.01 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1upf s VAL 219 CO 0.07 0.40 0.25 -1.81 0.00 0.00 0.00 175.10 174.01 1upf s ASP 220 N 0.81 5.87 -0.00 3.32 1.11 -0.39 -4.97 116.67 122.42 1upf s ASP 220 Ca -0.11 -0.08 -0.24 0.00 0.18 0.00 0.00 52.55 52.29 1upf s ASP 220 Cb -0.16 -1.61 -0.16 0.00 1.07 0.00 0.00 42.92 42.07 1upf s ASP 220 CO 0.02 -0.02 1.15 -0.29 1.18 0.00 0.00 175.17 177.20 1upf h ILE 221 N 1.48 0.60 -3.18 0.77 6.09 -1.88 -3.37 117.51 118.02 1upf h ILE 221 Ca -0.49 -0.62 -0.42 0.00 -1.37 0.00 0.00 64.86 61.95 1upf h ILE 221 Cb 1.23 0.88 -0.14 0.00 0.47 0.00 0.00 36.82 39.25 1upf h ILE 221 CO 0.62 0.11 -0.62 0.00 -3.07 0.00 0.00 178.15 175.19 1upf s LEU 223 N -3.41 3.02 0.42 0.00 0.20 -1.26 0.88 118.68 118.53 1upf s LEU 223 Ca 0.36 -0.12 0.08 0.00 0.69 0.00 0.00 54.13 55.14 1upf s LEU 223 Cb 0.08 -1.67 -0.01 0.00 -0.43 0.00 0.00 46.19 44.16 1upf s LEU 223 CO 0.14 0.33 0.45 0.54 -0.29 0.00 0.00 176.35 177.52 1upf s ASN 224 N -0.96 5.22 0.56 3.68 4.22 0.17 -4.91 114.94 122.91 1upf s ASN 224 Ca 0.13 -0.66 0.32 0.00 -2.14 0.00 0.00 52.86 50.51 1upf s ASN 224 Cb -0.11 -0.55 1.47 0.00 1.28 0.00 0.00 41.25 43.34 1upf s ASN 224 CO 0.03 -0.71 1.83 0.28 -2.04 0.00 0.00 177.10 176.48 1upf h SER 225 N 0.88 0.00 -0.35 3.54 0.02 -2.02 2.18 113.55 117.80 1upf h SER 225 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1upf h SER 225 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1upf h SER 225 CO 0.53 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.76 1upf n ARG 226 N -4.02 1.85 -1.40 3.45 1.74 -1.26 -4.90 116.66 112.12 1upf n ARG 226 Ca 0.18 -1.29 -0.09 0.00 -0.77 0.00 0.00 57.85 55.88 1upf n ARG 226 Cb 1.01 -1.29 -0.03 0.00 -1.02 0.00 0.00 32.46 31.12 1upf n ARG 226 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1upf n TYR 227 N 0.54 -0.06 -3.48 -1.55 4.01 0.74 -5.01 117.16 112.33 1upf n TYR 227 Ca 0.12 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.53 1upf n TYR 227 Cb 0.31 -1.90 -0.05 0.00 -0.31 0.00 0.00 39.34 37.39 1upf n TYR 227 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1upf s TYR 228 N -2.36 3.52 0.08 -0.72 2.02 -1.23 -4.76 117.35 113.90 1upf s TYR 228 Ca 0.00 0.85 -0.24 0.00 -0.37 0.00 0.00 57.07 57.31 1upf s TYR 228 Cb 0.00 -2.22 -0.06 0.00 -0.40 0.00 0.00 41.96 39.27 1upf s TYR 228 CO 0.00 0.40 0.73 0.42 -1.57 0.00 0.00 175.55 175.53 1upf s ILE 229 N -1.59 4.65 0.04 2.71 1.01 -1.26 0.41 121.20 127.16 1upf s ILE 229 Ca 0.40 1.57 0.06 0.00 0.00 0.00 0.00 60.65 62.68 1upf s ILE 229 Cb -0.13 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 1upf s ILE 229 CO 0.20 0.43 -0.16 0.54 0.00 0.00 0.00 174.94 175.96 1upf s VAL 230 N -0.49 1.27 -0.04 2.92 0.11 0.25 -2.54 120.40 121.89 1upf s VAL 230 Ca 0.36 -1.04 0.30 0.00 -2.93 0.00 0.00 61.98 58.66 1upf s VAL 230 Cb -0.21 -1.14 0.32 0.00 -1.53 0.00 0.00 36.38 33.82 1upf s VAL 230 CO 0.23 0.07 1.90 1.55 -3.33 0.00 0.00 175.10 175.52 1upf h PRO 231 N 4.94 0.00 0.00 1.54 0.13 -1.96 -2.91 132.00 133.74 1upf h PRO 231 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1upf h PRO 231 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1upf h PRO 231 CO 0.44 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.62 1upf n GLY 232 N -0.49 0.63 0.00 1.56 0.00 -1.05 -4.70 105.19 101.14 1upf n GLY 232 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1upf n GLY 232 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1upf n ILE 233 N 0.00 0.00 -1.10 -0.61 -0.00 -1.26 -4.84 119.36 111.55 1upf n ILE 233 Ca 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 62.75 62.40 1upf n ILE 233 Cb 0.00 1.19 0.00 0.00 -0.00 0.00 0.00 39.64 40.83 1upf n ILE 233 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1upf n GLY 234 N 0.25 -1.52 3.52 3.28 0.00 -1.26 -4.70 105.19 104.76 1upf n GLY 234 Ca 0.00 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 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 6.33 0.14 1.61 -1.08 -1.26 -4.87 116.67 113.54 1upf s ASP 235 Ca 0.00 -0.38 -0.23 0.00 -0.52 0.00 0.00 52.55 51.42 1upf s ASP 235 Cb 0.00 -2.43 0.01 0.00 -1.46 0.00 0.00 42.92 39.04 1upf s ASP 235 CO 0.00 -1.23 1.63 0.15 0.52 0.00 0.00 175.17 176.24 1upf h PHE 236 N 9.31 -0.68 -0.42 -5.34 3.57 -2.00 -2.51 116.94 118.88 1upf h PHE 236 Ca -0.26 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.36 1upf h PHE 236 Cb 1.07 0.33 -0.08 0.00 2.79 0.00 0.00 35.95 40.06 1upf h PHE 236 CO 0.91 -0.33 -0.07 0.78 -2.23 0.00 0.00 178.31 177.37 1upf h GLY 237 N -0.29 0.34 2.00 2.40 0.00 -1.91 0.13 103.07 105.75 1upf h GLY 237 Ca 0.12 0.11 -0.13 0.00 0.00 0.00 0.00 47.33 47.44 1upf h GLY 237 CO -0.36 -0.15 -0.60 1.29 0.00 0.00 0.00 176.54 176.73 1upf h ASP 238 N 0.03 0.00 -0.24 0.19 3.04 -1.88 -0.99 116.42 116.57 1upf h ASP 238 Ca 0.20 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.88 1upf h ASP 238 Cb 0.31 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.60 1upf h ASP 238 CO -0.41 0.60 -0.31 0.03 -2.04 0.00 0.00 179.24 177.11 1upf h ARG 239 N 0.00 0.63 -0.43 4.15 3.08 -1.04 1.18 114.38 121.95 1upf h ARG 239 Ca -0.01 -0.36 -0.10 0.00 0.07 0.00 0.00 59.98 59.59 1upf h ARG 239 Cb 1.20 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 1upf h ARG 239 CO 0.08 0.97 -0.14 -0.92 -1.07 0.00 0.00 179.97 178.89 1upf h TYR 240 N 0.33 0.87 0.00 3.04 3.20 -0.64 -3.05 116.97 120.72 1upf h TYR 240 Ca 0.03 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.73 1upf h TYR 240 Cb 0.89 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1upf h TYR 240 CO 0.08 0.87 -0.72 1.19 -1.64 0.00 0.00 178.16 177.95 1upf n PHE 241 N -4.15 0.03 -3.30 -3.82 3.72 -0.39 -4.91 117.46 104.64 1upf n PHE 241 Ca 0.01 0.01 -0.17 0.00 -0.05 0.00 0.00 57.45 57.24 1upf n PHE 241 Cb 0.38 -0.18 0.06 0.00 -0.94 0.00 0.00 39.48 38.80 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 -0.14 1.85 1.37 0.00 0.39 -4.91 105.19 105.24 1upf n GLY 242 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.33 2.93 1.15 2.61 -2.24 -0.30 -5.00 114.28 109.10 1upf n THR 243 Ca 0.01 -2.01 0.13 0.00 -2.27 0.00 0.00 64.05 59.90 1upf n THR 243 Cb 0.54 -0.39 0.22 0.00 -2.10 0.00 0.00 70.33 68.61 1upf n THR 243 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65