#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bd3 h GLU 22 N 0.00 0.14 -0.72 3.69 4.81 -1.98 0.15 114.58 120.68 1bd3 h GLU 22 Ca 0.00 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.35 1bd3 h GLU 22 Cb 0.00 -0.02 -0.11 0.00 0.63 0.00 0.00 28.75 29.25 1bd3 h GLU 22 CO 0.00 0.29 0.17 1.49 -0.73 0.00 0.00 179.01 180.23 1bd3 h GLU 23 N -0.03 0.27 -0.03 1.92 4.57 -1.99 1.30 114.58 120.59 1bd3 h GLU 23 Ca 0.03 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1bd3 h GLU 23 Cb 0.20 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1bd3 h GLU 23 CO -0.00 0.18 0.01 0.66 -1.18 0.00 0.00 179.01 178.67 1bd3 h SER 24 N 0.27 0.05 -0.31 1.04 4.64 -1.83 0.41 113.55 117.82 1bd3 h SER 24 Ca 0.40 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1bd3 h SER 24 Cb 0.67 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1bd3 h SER 24 CO -0.49 0.24 0.18 0.40 -0.87 0.00 0.00 176.83 176.29 1bd3 h ILE 25 N -0.15 1.12 0.10 0.95 2.04 0.88 -0.07 117.51 122.38 1bd3 h ILE 25 Ca 0.01 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.60 1bd3 h ILE 25 Cb 0.21 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1bd3 h ILE 25 CO -0.00 0.12 -0.28 -0.07 0.00 0.00 0.00 178.15 177.92 1bd3 h LEU 26 N 0.39 -0.80 -0.83 1.44 -0.00 0.18 -0.71 115.31 114.99 1bd3 h LEU 26 Ca 0.11 0.10 0.03 0.00 -0.00 0.00 0.00 57.88 58.12 1bd3 h LEU 26 Cb 0.03 0.31 -0.05 0.00 -0.00 0.00 0.00 40.66 40.95 1bd3 h LEU 26 CO -0.02 -0.36 0.54 -0.61 -0.00 0.00 0.00 178.44 177.98 1bd3 h GLN 27 N -0.48 1.02 -0.79 1.13 5.75 -0.00 -0.41 115.11 121.33 1bd3 h GLN 27 Ca 0.04 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1bd3 h GLN 27 Cb 0.52 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.80 1bd3 h GLN 27 CO -0.18 0.67 0.46 0.22 -2.65 0.00 0.00 178.83 177.36 1bd3 h ASP 28 N 1.05 0.96 -0.06 -0.69 3.58 -0.55 0.32 116.42 121.02 1bd3 h ASP 28 Ca 0.33 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 1bd3 h ASP 28 Cb -0.01 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.80 1bd3 h ASP 28 CO -0.11 0.75 0.02 0.40 -2.88 0.00 0.00 179.24 177.42 1bd3 h ILE 29 N 1.08 1.16 -0.55 2.25 1.08 -0.68 -0.85 117.51 121.01 1bd3 h ILE 29 Ca 0.28 -0.49 0.05 0.00 -0.39 0.00 0.00 64.86 64.32 1bd3 h ILE 29 Cb -0.02 1.38 -0.05 0.00 -3.07 0.00 0.00 36.82 35.06 1bd3 h ILE 29 CO -0.05 0.14 0.27 0.40 -0.69 0.00 0.00 178.15 178.22 1bd3 h ILE 30 N -0.09 0.93 0.00 -0.67 2.04 -0.47 0.41 117.51 119.66 1bd3 h ILE 30 Ca 0.02 -0.18 -0.16 0.00 1.00 0.00 0.00 64.86 65.54 1bd3 h ILE 30 Cb 0.20 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1bd3 h ILE 30 CO -0.00 0.09 -0.78 0.00 0.00 0.00 0.00 178.15 177.47 1bd3 h THR 31 N 0.52 1.53 -0.13 -0.27 1.03 -0.28 -3.32 112.91 111.99 1bd3 h THR 31 Ca 0.25 -2.69 -0.22 0.00 -0.01 0.00 0.00 66.41 63.74 1bd3 h THR 31 Cb 0.18 2.46 0.01 0.00 -1.07 0.00 0.00 68.15 69.73 1bd3 h THR 31 CO -0.18 0.76 -0.80 -0.09 -0.01 0.00 0.00 175.52 175.20 1bd3 h ARG 32 N 0.00 0.75 -3.69 0.00 2.43 -0.73 -3.41 114.38 109.73 1bd3 h ARG 32 Ca -0.01 -0.63 -0.65 0.00 -0.81 0.00 0.00 59.98 57.88 1bd3 h ARG 32 Cb 1.40 0.14 -0.40 0.00 -0.42 0.00 0.00 29.97 30.68 1bd3 h ARG 32 CO 0.10 1.23 -0.61 -0.06 -1.51 0.00 0.00 179.97 179.13 1bd3 s PHE 33 N -3.70 3.33 0.64 2.20 0.08 0.10 -4.95 117.98 115.69 1bd3 s PHE 33 Ca -0.10 -3.06 0.34 0.00 0.12 0.00 0.00 56.93 54.23 1bd3 s PHE 33 Cb 0.09 -2.90 1.89 0.00 -0.57 0.00 0.00 43.02 41.52 1bd3 s PHE 33 CO 0.90 -0.80 2.12 -1.00 -0.10 0.00 0.00 175.22 176.34 1bd3 h PRO 34 N 6.82 0.00 -0.07 0.24 0.13 -1.81 -1.46 132.00 135.85 1bd3 h PRO 34 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1bd3 h PRO 34 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1bd3 h PRO 34 CO 0.66 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.52 1bd3 n ASN 35 N -3.27 0.80 -4.83 1.44 5.03 -1.26 -4.83 115.26 108.34 1bd3 n ASN 35 Ca -0.01 -1.53 -0.35 0.00 0.87 0.00 0.00 54.58 53.56 1bd3 n ASN 35 Cb 0.27 -0.05 -0.06 0.00 -1.02 0.00 0.00 39.78 38.92 1bd3 n ASN 35 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1bd3 s VAL 36 N -1.91 5.16 -0.16 2.41 0.11 -0.55 -1.51 120.40 123.94 1bd3 s VAL 36 Ca 0.31 -0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.31 1bd3 s VAL 36 Cb 0.16 -3.29 0.02 0.00 -1.53 0.00 0.00 36.38 31.74 1bd3 s VAL 36 CO 0.25 0.51 -0.15 0.54 -3.33 0.00 0.00 175.10 172.91 1bd3 s VAL 37 N -1.10 1.72 -0.12 2.04 0.11 0.14 -4.95 120.40 118.24 1bd3 s VAL 37 Ca 0.19 -0.76 -0.12 0.00 -2.93 0.00 0.00 61.98 58.36 1bd3 s VAL 37 Cb -0.12 -1.61 -0.05 0.00 -1.53 0.00 0.00 36.38 33.07 1bd3 s VAL 37 CO 0.09 0.45 0.26 -0.22 -3.33 0.00 0.00 175.10 172.35 1bd3 s LEU 38 N 1.42 4.33 0.60 2.54 0.20 -1.26 -1.46 118.68 125.04 1bd3 s LEU 38 Ca 0.04 0.57 -0.18 0.00 0.69 0.00 0.00 54.13 55.25 1bd3 s LEU 38 Cb -0.13 -2.31 -0.03 0.00 -0.43 0.00 0.00 46.19 43.28 1bd3 s LEU 38 CO -0.11 0.24 1.16 -0.04 -0.29 0.00 0.00 176.35 177.31 1bd3 s MET 39 N -0.28 3.03 0.15 1.98 -1.94 -0.81 -4.91 119.30 116.53 1bd3 s MET 39 Ca 0.17 1.66 -0.31 0.00 -1.71 0.00 0.00 55.69 55.49 1bd3 s MET 39 Cb -0.13 -1.96 -0.10 0.00 2.01 0.00 0.00 34.83 34.65 1bd3 s MET 39 CO 0.05 -1.12 1.65 0.21 -0.01 0.00 0.00 175.02 175.80 1bd3 s LYS 40 N -3.49 4.19 -1.22 2.03 2.20 -1.26 -4.86 119.74 117.32 1bd3 s LYS 40 Ca 0.73 2.43 -0.17 0.00 -0.36 0.00 0.00 55.97 58.61 1bd3 s LYS 40 Cb -0.26 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 1bd3 s LYS 40 CO 0.33 -0.69 2.14 1.04 -0.36 0.00 0.00 175.35 177.81 1bd3 n GLN 41 N 4.54 2.39 -1.81 4.03 1.13 -1.26 -4.91 117.38 121.50 1bd3 n GLN 41 Ca 0.15 -2.32 -0.31 0.00 -1.94 0.00 0.00 57.00 52.58 1bd3 n GLN 41 Cb 0.38 -3.14 0.02 0.00 0.11 0.00 0.00 30.24 27.61 1bd3 n GLN 41 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1bd3 s THR 42 N 3.80 4.40 0.31 5.09 -4.23 -1.26 -4.88 115.64 118.86 1bd3 s THR 42 Ca 0.51 0.82 -0.02 0.00 -1.18 0.00 0.00 61.69 61.83 1bd3 s THR 42 Cb 0.14 -3.66 0.26 0.00 1.34 0.00 0.00 72.50 70.59 1bd3 s THR 42 CO -0.02 -0.97 1.97 0.00 -0.54 0.00 0.00 174.62 175.06 1bd3 h ALA 43 N -0.34 1.43 -0.19 3.99 0.00 -1.98 -0.61 119.26 121.56 1bd3 h ALA 43 Ca -0.44 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1bd3 h ALA 43 Cb 1.20 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1bd3 h ALA 43 CO 0.60 0.53 0.04 1.96 0.00 0.00 0.00 179.25 182.39 1bd3 h GLN 44 N 1.09 0.30 -0.46 0.00 1.08 -1.98 0.24 115.11 115.38 1bd3 h GLN 44 Ca 0.29 -0.07 0.07 0.00 -1.45 0.00 0.00 58.65 57.49 1bd3 h GLN 44 Cb -0.13 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.21 1bd3 h GLN 44 CO -0.06 0.44 0.13 1.25 -0.95 0.00 0.00 178.83 179.63 1bd3 h LEU 45 N 0.12 0.08 -1.35 1.46 6.46 -1.76 0.13 115.31 120.45 1bd3 h LEU 45 Ca 0.06 0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.84 1bd3 h LEU 45 Cb 0.27 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1bd3 h LEU 45 CO 0.00 0.08 -0.11 -0.09 -0.62 0.00 0.00 178.44 177.70 1bd3 h ARG 46 N 0.28 0.30 -0.39 1.25 2.43 -0.78 -0.70 114.38 116.77 1bd3 h ARG 46 Ca 0.22 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 1bd3 h ARG 46 Cb 0.26 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1bd3 h ARG 46 CO -0.26 0.42 -0.24 0.00 -1.51 0.00 0.00 179.97 178.38 1bd3 h ALA 47 N 1.61 0.86 0.01 2.80 0.00 0.15 -0.28 119.26 124.42 1bd3 h ALA 47 Ca 0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1bd3 h ALA 47 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1bd3 h ALA 47 CO 0.02 0.63 -0.01 0.52 0.00 0.00 0.00 179.25 180.42 1bd3 h MET 48 N 0.67 -0.02 -0.50 0.00 2.86 -0.25 -2.15 114.93 115.55 1bd3 h MET 48 Ca 0.09 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.80 1bd3 h MET 48 Cb 0.75 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 1bd3 h MET 48 CO 0.06 0.37 0.34 0.52 1.06 0.00 0.00 176.91 179.26 1bd3 h MET 49 N -0.40 0.38 -0.24 1.72 2.07 -1.03 -0.75 114.93 116.68 1bd3 h MET 49 Ca -0.00 -0.02 -0.02 0.00 -2.07 0.00 0.00 59.70 57.59 1bd3 h MET 49 Cb 0.39 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.02 1bd3 h MET 49 CO 0.00 0.25 0.09 1.15 1.07 0.00 0.00 176.91 179.47 1bd3 h THR 50 N 0.39 1.18 0.08 2.22 2.02 -0.81 0.10 112.91 118.08 1bd3 h THR 50 Ca 0.22 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 1bd3 h THR 50 Cb 0.38 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1bd3 h THR 50 CO -0.06 0.18 -0.04 0.40 0.37 0.00 0.00 175.52 176.38 1bd3 h ILE 51 N 0.22 1.04 0.00 3.11 1.08 -0.53 -2.56 117.51 119.87 1bd3 h ILE 51 Ca 0.08 -0.42 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 1bd3 h ILE 51 Cb 0.20 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 1bd3 h ILE 51 CO -0.00 0.10 -0.19 0.16 -0.69 0.00 0.00 178.15 177.53 1bd3 h ILE 52 N -0.29 0.68 0.00 -0.67 3.07 -1.09 -2.81 117.51 116.40 1bd3 h ILE 52 Ca -0.01 -0.79 -0.10 0.00 1.55 0.00 0.00 64.86 65.51 1bd3 h ILE 52 Cb 0.25 1.50 -0.01 0.00 -0.27 0.00 0.00 36.82 38.29 1bd3 h ILE 52 CO 0.02 0.18 -0.48 0.03 -1.05 0.00 0.00 178.15 176.85 1bd3 h ARG 53 N 0.00 0.00 -6.31 0.16 3.08 -0.89 -3.45 114.38 106.96 1bd3 h ARG 53 Ca -0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1bd3 h ARG 53 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1bd3 h ARG 53 CO 0.02 0.44 1.13 0.34 -1.07 0.00 0.00 179.97 180.83 1bd3 s ASP 54 N -6.40 6.59 0.35 7.04 -1.08 -0.97 -4.84 116.67 117.35 1bd3 s ASP 54 Ca 0.04 2.40 0.25 0.00 -0.52 0.00 0.00 52.55 54.72 1bd3 s ASP 54 Cb 0.07 -2.54 1.24 0.00 -1.46 0.00 0.00 42.92 40.23 1bd3 s ASP 54 CO 0.74 -0.96 1.77 0.07 0.52 0.00 0.00 175.17 177.30 1bd3 h LYS 55 N 9.76 0.00 0.00 4.34 2.10 -1.88 -1.57 116.57 129.32 1bd3 h LYS 55 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1bd3 h LYS 55 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1bd3 h LYS 55 CO 0.95 0.00 -0.06 1.49 -2.00 0.00 0.00 179.45 179.83 1bd3 h GLU 56 N 0.00 0.00 -6.63 0.07 4.57 -1.93 -3.46 114.58 107.20 1bd3 h GLU 56 Ca 0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 1bd3 h GLU 56 Cb 0.16 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 28.79 1bd3 h GLU 56 CO 0.00 0.00 0.73 -0.08 -1.18 0.00 0.00 179.01 178.48 1bd3 s THR 57 N -3.13 3.05 0.57 0.32 -1.32 -0.59 -5.00 115.64 109.55 1bd3 s THR 57 Ca 0.10 0.81 -0.18 0.00 -1.21 0.00 0.00 61.69 61.20 1bd3 s THR 57 Cb 0.11 -3.52 -0.04 0.00 -1.51 0.00 0.00 72.50 67.54 1bd3 s THR 57 CO 0.62 0.09 1.11 -2.84 -2.21 0.00 0.00 174.62 171.40 1bd3 s PRO 58 N 0.46 3.24 0.21 7.08 0.02 -1.26 -4.76 135.00 139.99 1bd3 s PRO 58 Ca 0.62 1.51 -0.13 0.00 0.02 0.00 0.00 61.00 63.02 1bd3 s PRO 58 Cb -0.39 -2.00 0.25 0.00 0.02 0.00 0.00 34.50 32.39 1bd3 s PRO 58 CO 0.35 -0.92 1.63 0.87 -0.33 0.00 0.00 177.00 178.60 1bd3 h LYS 59 N 0.87 0.01 -0.84 5.54 1.57 -1.94 0.18 116.57 121.95 1bd3 h LYS 59 Ca -0.49 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.33 1bd3 h LYS 59 Cb 1.25 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 1bd3 h LYS 59 CO 0.56 0.01 0.53 1.05 -0.57 0.00 0.00 179.45 181.03 1bd3 h GLU 60 N 0.01 0.99 0.04 3.15 9.09 -1.96 0.14 114.58 126.03 1bd3 h GLU 60 Ca 0.31 -0.06 -0.00 0.00 0.05 0.00 0.00 59.36 59.66 1bd3 h GLU 60 Cb 0.48 -0.22 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1bd3 h GLU 60 CO -0.66 0.65 -0.02 0.93 0.05 0.00 0.00 179.01 179.97 1bd3 h GLU 61 N 1.02 -0.05 -0.48 1.06 4.39 -1.61 -0.88 114.58 118.03 1bd3 h GLU 61 Ca 0.34 0.00 0.10 0.00 0.34 0.00 0.00 59.36 60.14 1bd3 h GLU 61 Cb 0.06 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.63 1bd3 h GLU 61 CO -0.13 0.30 -0.06 0.35 -1.16 0.00 0.00 179.01 178.31 1bd3 h PHE 62 N -0.41 -0.14 -0.51 4.33 3.04 -0.68 0.70 116.94 123.26 1bd3 h PHE 62 Ca -0.01 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1bd3 h PHE 62 Cb 0.38 0.14 -0.03 0.00 2.56 0.00 0.00 35.95 39.00 1bd3 h PHE 62 CO 0.05 -0.16 0.32 0.28 -2.02 0.00 0.00 178.31 176.78 1bd3 h VAL 63 N 0.05 1.15 -0.04 1.41 2.07 -0.62 0.30 116.25 120.57 1bd3 h VAL 63 Ca 0.24 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1bd3 h VAL 63 Cb 0.37 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1bd3 h VAL 63 CO -0.45 0.15 -0.08 0.15 0.02 0.00 0.00 177.57 177.36 1bd3 h PHE 64 N 0.69 -0.19 -0.12 1.57 3.57 0.52 -0.44 116.94 122.53 1bd3 h PHE 64 Ca 0.19 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.55 1bd3 h PHE 64 Cb -0.04 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1bd3 h PHE 64 CO -0.03 -0.12 -0.55 1.88 -2.23 0.00 0.00 178.31 177.26 1bd3 h TYR 65 N -0.12 0.46 -0.19 0.41 0.05 -0.87 -2.03 116.97 114.68 1bd3 h TYR 65 Ca 0.04 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.66 1bd3 h TYR 65 Cb 0.18 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1bd3 h TYR 65 CO -0.16 0.83 0.13 0.00 -1.05 0.00 0.00 178.16 177.90 1bd3 h ALA 66 N 1.13 0.24 -0.58 3.88 0.00 -0.64 -0.33 119.26 122.97 1bd3 h ALA 66 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1bd3 h ALA 66 Cb 1.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1bd3 h ALA 66 CO 0.09 -0.27 0.25 -0.44 0.00 0.00 0.00 179.25 178.88 1bd3 h ASP 67 N 0.26 0.75 -0.53 0.00 3.32 -0.95 -0.27 116.42 119.00 1bd3 h ASP 67 Ca 0.07 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1bd3 h ASP 67 Cb -0.02 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1bd3 h ASP 67 CO -0.01 0.66 0.18 -0.09 -1.72 0.00 0.00 179.24 178.25 1bd3 h ARG 68 N 0.82 0.81 -0.36 3.56 2.43 -0.67 -2.38 114.38 118.58 1bd3 h ARG 68 Ca 0.20 -0.17 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 1bd3 h ARG 68 Cb 0.13 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1bd3 h ARG 68 CO -0.02 0.74 -0.36 1.25 -1.51 0.00 0.00 179.97 180.07 1bd3 h LEU 69 N 0.72 0.90 -0.89 3.80 5.85 -0.69 -3.10 115.31 121.90 1bd3 h LEU 69 Ca 0.17 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1bd3 h LEU 69 Cb 0.26 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1bd3 h LEU 69 CO -0.01 1.16 0.57 0.40 -0.34 0.00 0.00 178.44 180.23 1bd3 h ILE 70 N 0.70 1.14 -0.24 4.05 2.04 -0.81 -1.50 117.51 122.90 1bd3 h ILE 70 Ca 0.06 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.58 1bd3 h ILE 70 Cb 0.93 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1bd3 h ILE 70 CO 0.09 0.20 -0.02 -0.09 0.00 0.00 0.00 178.15 178.33 1bd3 h ARG 71 N 1.11 0.05 -0.31 2.37 1.12 -1.36 0.97 114.38 118.33 1bd3 h ARG 71 Ca 0.35 -0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.22 1bd3 h ARG 71 Cb 0.01 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 29.94 1bd3 h ARG 71 CO -0.12 0.03 0.19 -0.07 -3.11 0.00 0.00 179.97 176.89 1bd3 h LEU 72 N 0.05 0.37 -0.31 3.80 3.38 -1.36 -0.77 115.31 120.48 1bd3 h LEU 72 Ca 0.11 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1bd3 h LEU 72 Cb 0.15 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1bd3 h LEU 72 CO -0.21 0.31 0.06 0.25 0.09 0.00 0.00 178.44 178.95 1bd3 h LEU 73 N 0.40 0.01 -0.71 1.67 5.85 -0.93 0.15 115.31 121.75 1bd3 h LEU 73 Ca 0.11 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1bd3 h LEU 73 Cb 0.01 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1bd3 h LEU 73 CO -0.02 0.04 0.42 0.40 -0.34 0.00 0.00 178.44 178.95 1bd3 h ILE 74 N 0.17 1.20 -0.64 4.05 1.08 -0.52 0.20 117.51 123.05 1bd3 h ILE 74 Ca 0.14 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 64.14 1bd3 h ILE 74 Cb 0.15 0.23 -0.03 0.00 -3.07 0.00 0.00 36.82 34.10 1bd3 h ILE 74 CO -0.19 0.21 0.33 -0.33 -0.69 0.00 0.00 178.15 177.48 1bd3 h GLU 75 N 0.96 0.90 -0.05 2.37 4.39 -0.37 -0.12 114.58 122.66 1bd3 h GLU 75 Ca 0.25 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1bd3 h GLU 75 Cb -0.03 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.45 1bd3 h GLU 75 CO -0.05 0.68 0.01 1.49 -1.16 0.00 0.00 179.01 179.99 1bd3 h GLU 76 N 0.90 0.08 -0.96 2.33 4.57 -0.11 -3.11 114.58 118.29 1bd3 h GLU 76 Ca 0.23 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.42 1bd3 h GLU 76 Cb 0.07 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 1bd3 h GLU 76 CO -0.03 0.31 0.63 0.00 -1.18 0.00 0.00 179.01 178.73 1bd3 h ALA 77 N 0.77 1.37 0.00 2.92 0.00 -0.49 -1.84 119.26 121.99 1bd3 h ALA 77 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bd3 h ALA 77 Cb 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1bd3 h ALA 77 CO 0.00 0.54 0.09 -0.07 0.00 0.00 0.00 179.25 179.82 1bd3 h LEU 78 N 1.22 0.00 0.00 0.00 3.38 -0.96 -0.18 115.31 118.78 1bd3 h LEU 78 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1bd3 h LEU 78 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1bd3 h LEU 78 CO -0.11 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.01 1bd3 n ASN 79 N -2.82 0.00 -0.00 -0.43 4.13 -0.69 -2.73 115.26 112.72 1bd3 n ASN 79 Ca -0.02 0.43 0.14 0.00 1.68 0.00 0.00 54.58 56.81 1bd3 n ASN 79 Cb 0.15 -0.47 0.63 0.00 -1.54 0.00 0.00 39.78 38.55 1bd3 n ASN 79 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1bd3 n GLU 80 N -1.47 0.08 -1.75 3.52 -0.58 -0.08 -4.83 120.64 115.53 1bd3 n GLU 80 Ca 0.06 -0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.49 1bd3 n GLU 80 Cb 0.24 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.65 1bd3 n GLU 80 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1bd3 s LEU 81 N -2.92 2.99 0.36 -4.62 1.02 -1.11 -5.04 118.68 109.35 1bd3 s LEU 81 Ca 0.17 1.35 -0.17 0.00 0.02 0.00 0.00 54.13 55.50 1bd3 s LEU 81 Cb 0.19 -4.21 -0.10 0.00 0.02 0.00 0.00 46.19 42.10 1bd3 s LEU 81 CO 0.52 -1.34 0.81 -2.16 0.02 0.00 0.00 176.35 174.20 1bd3 s PRO 82 N -5.20 4.09 0.09 1.29 0.04 -1.26 -5.09 135.00 128.96 1bd3 s PRO 82 Ca 0.58 0.83 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 1bd3 s PRO 82 Cb -0.12 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 1bd3 s PRO 82 CO 0.54 0.10 0.02 -0.59 0.04 0.00 0.00 177.00 177.11 1bd3 s PHE 83 N -2.04 0.68 0.15 0.56 -0.12 -1.26 -4.23 117.98 111.72 1bd3 s PHE 83 Ca 0.57 -1.13 0.11 0.00 -0.05 0.00 0.00 56.93 56.42 1bd3 s PHE 83 Cb -0.10 -0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 41.83 1bd3 s PHE 83 CO 0.16 -0.46 -0.24 -0.65 -0.05 0.00 0.00 175.22 173.98 1bd3 s GLN 84 N -3.98 1.51 0.51 1.99 -0.21 0.43 -4.94 119.66 114.97 1bd3 s GLN 84 Ca 0.16 -1.38 -0.20 0.00 0.02 0.00 0.00 55.36 53.95 1bd3 s GLN 84 Cb 0.08 -1.92 -0.07 0.00 1.00 0.00 0.00 33.01 32.10 1bd3 s GLN 84 CO -0.04 0.44 1.11 -1.59 -2.12 0.00 0.00 175.29 173.09 1bd3 s LYS 85 N -2.29 3.55 -0.18 2.91 0.00 -1.26 0.31 119.74 122.78 1bd3 s LYS 85 Ca 0.17 1.57 -0.13 0.00 0.00 0.00 0.00 55.97 57.58 1bd3 s LYS 85 Cb -0.09 -2.11 0.05 0.00 0.00 0.00 0.00 37.83 35.68 1bd3 s LYS 85 CO 0.08 -0.67 0.45 0.21 0.00 0.00 0.00 175.35 175.42 1bd3 s LYS 86 N -3.15 0.49 -0.09 1.78 2.20 0.18 -4.65 119.74 116.49 1bd3 s LYS 86 Ca 0.70 0.74 0.01 0.00 -0.36 0.00 0.00 55.97 57.06 1bd3 s LYS 86 Cb -0.23 0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.21 1bd3 s LYS 86 CO 0.26 -0.11 -0.13 -2.00 -0.36 0.00 0.00 175.35 173.01 1bd3 s GLU 87 N 0.82 2.99 0.28 4.03 2.12 -1.26 0.33 118.70 128.00 1bd3 s GLU 87 Ca -0.05 -0.68 0.02 0.00 0.36 0.00 0.00 54.97 54.62 1bd3 s GLU 87 Cb -0.05 -2.53 -0.05 0.00 0.26 0.00 0.00 34.13 31.75 1bd3 s GLU 87 CO -0.06 0.41 0.09 0.14 -0.54 0.00 0.00 175.26 175.29 1bd3 s VAL 88 N -0.15 0.73 -0.11 3.70 -7.23 0.17 -4.95 120.40 112.56 1bd3 s VAL 88 Ca -0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1bd3 s VAL 88 Cb -0.13 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1bd3 s VAL 88 CO 0.03 -0.00 -0.22 0.28 -0.31 0.00 0.00 175.10 174.88 1bd3 s THR 89 N -3.63 2.19 1.00 5.32 -1.32 -1.26 0.36 115.64 118.30 1bd3 s THR 89 Ca 0.37 -0.96 -0.12 0.00 -1.21 0.00 0.00 61.69 59.77 1bd3 s THR 89 Cb 0.08 -1.86 0.19 0.00 -1.51 0.00 0.00 72.50 69.40 1bd3 s THR 89 CO 0.14 0.55 1.08 -0.89 -2.21 0.00 0.00 174.62 173.29 1bd3 s THR 90 N 0.46 2.29 -0.93 5.08 2.01 -0.23 -4.88 115.64 119.43 1bd3 s THR 90 Ca -0.15 0.09 0.19 0.00 0.31 0.00 0.00 61.69 62.13 1bd3 s THR 90 Cb -0.17 -2.42 0.16 0.00 0.01 0.00 0.00 72.50 70.08 1bd3 s THR 90 CO 0.06 -0.12 1.59 -2.65 -0.69 0.00 0.00 174.62 172.81 1bd3 n PRO 91 N -4.27 0.03 0.00 4.92 -0.02 -1.26 -1.01 135.00 133.39 1bd3 n PRO 91 Ca 0.06 0.22 0.15 0.00 -2.02 0.00 0.00 63.50 61.91 1bd3 n PRO 91 Cb 0.55 -1.55 0.66 0.00 -0.02 0.00 0.00 33.50 33.13 1bd3 n PRO 91 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1bd3 n LEU 92 N -1.61 0.84 -0.34 2.45 7.99 -1.26 -4.93 117.00 120.14 1bd3 n LEU 92 Ca 0.04 -0.25 -0.04 0.00 -0.01 0.00 0.00 56.01 55.75 1bd3 n LEU 92 Cb 0.22 -0.04 -0.02 0.00 -0.11 0.00 0.00 43.42 43.47 1bd3 n LEU 92 CO 0.17 0.14 -0.04 0.47 -1.51 0.00 0.00 177.39 176.63 1bd3 n ASP 93 N -0.42 -4.01 -4.76 -1.43 8.00 -0.18 -5.04 116.55 108.72 1bd3 n ASP 93 Ca 0.19 0.11 -0.26 0.00 0.71 0.00 0.00 54.79 55.54 1bd3 n ASP 93 Cb 0.27 -1.90 -0.06 0.00 -0.02 0.00 0.00 41.12 39.41 1bd3 n ASP 93 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bd3 s VAL 94 N -2.01 4.25 0.45 2.53 0.11 -1.26 -4.84 120.40 119.62 1bd3 s VAL 94 Ca 0.00 -1.18 -0.17 0.00 -2.93 0.00 0.00 61.98 57.70 1bd3 s VAL 94 Cb 0.00 -3.16 -0.09 0.00 -1.53 0.00 0.00 36.38 31.60 1bd3 s VAL 94 CO 0.00 -0.10 0.91 -0.55 -3.33 0.00 0.00 175.10 172.03 1bd3 s SER 95 N -3.04 6.73 0.00 3.54 0.15 -1.26 -1.06 113.70 118.76 1bd3 s SER 95 Ca 0.30 1.51 0.02 0.00 0.70 0.00 0.00 55.95 58.48 1bd3 s SER 95 Cb -0.10 -2.47 -0.01 0.00 -1.71 0.00 0.00 66.02 61.73 1bd3 s SER 95 CO 0.22 -0.44 -0.08 -0.47 1.20 0.00 0.00 173.24 173.67 1bd3 s TYR 96 N -2.37 0.70 -0.38 3.44 5.04 0.16 -4.89 117.35 119.05 1bd3 s TYR 96 Ca 0.58 -0.18 -0.08 0.00 -2.44 0.00 0.00 57.07 54.96 1bd3 s TYR 96 Cb -0.10 -0.44 0.06 0.00 0.35 0.00 0.00 41.96 41.82 1bd3 s TYR 96 CO 0.24 -0.01 0.18 -1.01 -1.34 0.00 0.00 175.55 173.60 1bd3 s HIS 97 N -0.33 3.30 0.00 4.97 3.76 -1.26 -0.65 115.29 125.07 1bd3 s HIS 97 Ca 0.02 -1.44 0.00 0.00 -0.15 0.00 0.00 55.06 53.49 1bd3 s HIS 97 Cb -0.04 -2.60 0.00 0.00 1.11 0.00 0.00 32.58 31.06 1bd3 s HIS 97 CO -0.00 -0.77 0.00 0.41 -0.85 0.00 0.00 174.74 173.53 1bd3 n GLY 98 N 4.87 2.93 2.64 -2.22 0.00 0.98 -4.92 105.19 109.47 1bd3 n GLY 98 Ca -0.11 -2.15 -0.14 0.00 0.00 0.00 0.00 46.02 43.62 1bd3 n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bd3 s VAL 99 N 0.31 -0.41 0.61 1.61 -7.23 -1.26 0.50 120.40 114.54 1bd3 s VAL 99 Ca 0.00 -1.57 -0.20 0.00 -1.81 0.00 0.00 61.98 58.40 1bd3 s VAL 99 Cb 0.00 -0.56 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 1bd3 s VAL 99 CO 0.00 -0.55 1.33 -0.55 -0.31 0.00 0.00 175.10 175.02 1bd3 s SER 100 N 0.69 4.85 -0.22 4.85 0.15 0.15 -4.42 113.70 119.75 1bd3 s SER 100 Ca 0.29 2.71 -0.08 0.00 0.70 0.00 0.00 55.95 59.56 1bd3 s SER 100 Cb -0.01 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 1bd3 s SER 100 CO -0.10 -1.85 0.09 -0.36 1.20 0.00 0.00 173.24 172.21 1bd3 s PHE 101 N -1.34 3.21 0.00 3.44 0.40 -1.26 0.16 117.98 122.59 1bd3 s PHE 101 Ca 0.78 -0.04 0.00 0.00 -0.60 0.00 0.00 56.93 57.07 1bd3 s PHE 101 Cb -0.39 -2.17 0.00 0.00 0.51 0.00 0.00 43.02 40.97 1bd3 s PHE 101 CO 0.44 -0.02 0.85 2.48 0.70 0.00 0.00 175.22 179.66 1bd3 n TYR 102 N 4.13 0.00 -2.31 0.36 4.11 -1.26 -4.99 117.16 117.20 1bd3 n TYR 102 Ca -0.16 -0.36 -0.30 0.00 -0.00 0.00 0.00 57.90 57.08 1bd3 n TYR 102 Cb 0.52 -0.04 -0.01 0.00 -0.00 0.00 0.00 39.34 39.81 1bd3 n TYR 102 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1bd3 s SER 103 N -0.72 6.37 -0.01 9.48 1.04 -1.26 -5.06 113.70 123.54 1bd3 s SER 103 Ca 0.00 1.30 -0.19 0.00 0.48 0.00 0.00 55.95 57.53 1bd3 s SER 103 Cb 0.00 -2.41 -0.05 0.00 0.10 0.00 0.00 66.02 63.66 1bd3 s SER 103 CO 0.00 -0.67 0.56 -0.54 0.98 0.00 0.00 173.24 173.57 1bd3 s LYS 104 N -4.63 4.26 0.32 4.02 1.02 -1.26 -5.03 119.74 118.44 1bd3 s LYS 104 Ca 0.54 0.66 0.05 0.00 0.02 0.00 0.00 55.97 57.23 1bd3 s LYS 104 Cb -0.10 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 1bd3 s LYS 104 CO 0.43 0.41 0.30 0.96 -0.92 0.00 0.00 175.35 176.54 1bd3 s ILE 105 N -0.31 0.00 0.08 2.17 -4.36 -1.26 -1.57 121.20 115.96 1bd3 s ILE 105 Ca 0.29 -1.93 -0.26 0.00 -0.26 0.00 0.00 60.65 58.50 1bd3 s ILE 105 Cb -0.18 -2.52 0.08 0.00 1.25 0.00 0.00 42.46 41.09 1bd3 s ILE 105 CO 0.16 0.00 0.83 0.00 0.24 0.00 0.00 174.94 176.17 1bd3 s GLY 107 N -2.67 1.82 -0.04 0.00 0.00 -0.54 -1.47 107.32 104.42 1bd3 s GLY 107 Ca 0.06 -1.24 -0.02 0.00 0.00 0.00 0.00 44.72 43.52 1bd3 s GLY 107 CO -0.06 -1.23 0.06 0.14 0.00 0.00 0.00 173.10 172.00 1bd3 s VAL 108 N -1.40 -0.08 0.08 1.40 1.01 -0.22 -0.42 120.40 120.77 1bd3 s VAL 108 Ca 0.25 0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.66 1bd3 s VAL 108 Cb -0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1bd3 s VAL 108 CO 0.17 0.18 0.06 -0.94 0.00 0.00 0.00 175.10 174.56 1bd3 s SER 109 N 2.11 5.40 -0.42 3.32 1.04 -0.57 -0.78 113.70 123.79 1bd3 s SER 109 Ca 0.04 -0.05 -0.16 0.00 0.48 0.00 0.00 55.95 56.26 1bd3 s SER 109 Cb -0.12 -1.41 0.02 0.00 0.10 0.00 0.00 66.02 64.61 1bd3 s SER 109 CO -0.03 0.17 0.39 -0.63 0.98 0.00 0.00 173.24 174.12 1bd3 s ILE 110 N -1.37 5.16 0.28 -1.02 1.01 -1.00 -1.28 121.20 122.97 1bd3 s ILE 110 Ca 0.28 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 60.13 1bd3 s ILE 110 Cb -0.12 -4.01 -0.10 0.00 0.01 0.00 0.00 42.46 38.24 1bd3 s ILE 110 CO 0.21 -0.40 1.31 -0.69 0.00 0.00 0.00 174.94 175.38 1bd3 s VAL 111 N 1.94 2.89 -0.10 2.92 1.01 -0.47 0.00 120.40 128.59 1bd3 s VAL 111 Ca 0.09 0.83 0.15 0.00 0.00 0.00 0.00 61.98 63.05 1bd3 s VAL 111 Cb -0.18 -3.53 -0.22 0.00 0.00 0.00 0.00 36.38 32.45 1bd3 s VAL 111 CO 0.12 0.17 0.18 -2.11 0.00 0.00 0.00 175.10 173.46 1bd3 n ARG 112 N 1.53 1.08 -0.32 2.72 1.85 -1.26 -4.51 116.66 117.75 1bd3 n ARG 112 Ca 0.02 -0.07 0.13 0.00 -1.00 0.00 0.00 57.85 56.94 1bd3 n ARG 112 Cb 0.42 -1.40 0.31 0.00 -1.05 0.00 0.00 32.46 30.74 1bd3 n ARG 112 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1bd3 h ALA 113 N 1.07 1.50 0.00 2.89 0.00 -1.92 -0.20 119.26 122.60 1bd3 h ALA 113 Ca -0.26 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1bd3 h ALA 113 Cb 1.50 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1bd3 h ALA 113 CO 0.01 -0.24 -0.11 0.78 0.00 0.00 0.00 179.25 179.69 1bd3 h GLY 114 N 0.52 0.00 2.00 0.00 0.00 -0.61 -2.31 103.07 102.67 1bd3 h GLY 114 Ca 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.88 1bd3 h GLY 114 CO -0.47 0.00 -0.04 0.83 0.00 0.00 0.00 176.54 176.86 1bd3 h GLU 115 N 0.00 0.00 0.00 4.80 5.08 -1.13 -0.56 114.58 122.77 1bd3 h GLU 115 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1bd3 h GLU 115 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1bd3 h GLU 115 CO 0.01 0.04 -0.02 0.66 -1.00 0.00 0.00 179.01 178.71 1bd3 h SER 116 N 0.00 0.00 0.66 1.42 4.64 -1.52 -1.98 113.55 116.77 1bd3 h SER 116 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bd3 h SER 116 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1bd3 h SER 116 CO 0.01 0.02 -0.61 0.23 -0.87 0.00 0.00 176.83 175.61 1bd3 n MET 117 N -3.51 0.16 -0.24 4.77 2.81 -0.22 -4.23 117.12 116.67 1bd3 n MET 117 Ca -0.03 0.04 -0.03 0.00 -1.81 0.00 0.00 57.70 55.87 1bd3 n MET 117 Cb 0.12 -1.59 0.08 0.00 -0.71 0.00 0.00 33.22 31.11 1bd3 n MET 117 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1bd3 h GLU 118 N 0.00 0.80 -0.57 0.03 5.08 -1.41 -2.40 114.58 116.11 1bd3 h GLU 118 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1bd3 h GLU 118 Cb 0.64 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1bd3 h GLU 118 CO 0.00 0.53 0.37 0.66 -1.00 0.00 0.00 179.01 179.56 1bd3 h SER 119 N 0.82 0.66 -0.45 1.42 4.64 -1.75 0.40 113.55 119.29 1bd3 h SER 119 Ca 0.28 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.52 1bd3 h SER 119 Cb 0.03 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1bd3 h SER 119 CO -0.11 0.49 0.07 1.23 -0.87 0.00 0.00 176.83 177.64 1bd3 h GLY 120 N 0.79 0.81 1.16 -0.77 0.00 -1.69 0.56 103.07 103.93 1bd3 h GLY 120 Ca 0.21 -0.54 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 1bd3 h GLY 120 CO -0.04 0.50 -0.20 -2.00 0.00 0.00 0.00 176.54 174.80 1bd3 h LEU 121 N 0.61 0.98 -1.22 3.11 5.85 -1.00 -2.66 115.31 120.98 1bd3 h LEU 121 Ca 0.14 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 1bd3 h LEU 121 Cb 0.39 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1bd3 h LEU 121 CO 0.01 1.14 -0.25 0.03 -0.34 0.00 0.00 178.44 179.03 1bd3 h ARG 122 N 0.83 0.00 -0.38 1.25 2.47 -0.65 0.26 114.38 118.16 1bd3 h ARG 122 Ca 0.11 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.72 1bd3 h ARG 122 Cb 0.76 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.07 1bd3 h ARG 122 CO 0.06 0.25 -0.22 0.00 0.56 0.00 0.00 179.97 180.62 1bd3 h ALA 123 N 1.75 0.89 0.00 0.04 0.00 -0.54 -3.28 119.26 118.12 1bd3 h ALA 123 Ca -0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1bd3 h ALA 123 Cb 0.71 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1bd3 h ALA 123 CO 0.03 0.63 -1.95 1.33 0.00 0.00 0.00 179.25 179.29 1bd3 n VAL 124 N -4.11 0.23 -3.89 0.00 0.24 -1.05 -4.68 118.33 105.08 1bd3 n VAL 124 Ca 0.00 -0.55 -0.30 0.00 -2.04 0.00 0.00 64.34 61.45 1bd3 n VAL 124 Cb 0.43 -0.10 -0.14 0.00 -1.47 0.00 0.00 33.84 32.56 1bd3 n VAL 124 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bd3 n ARG 126 N 3.37 2.08 -2.08 0.00 3.00 -1.25 -2.25 116.66 119.54 1bd3 n ARG 126 Ca 0.06 0.75 -0.20 0.00 -0.01 0.00 0.00 57.85 58.45 1bd3 n ARG 126 Cb 0.34 -2.53 -0.04 0.00 0.00 0.00 0.00 32.46 30.23 1bd3 n ARG 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bd3 n GLY 127 N 3.53 0.44 3.77 -0.13 0.00 -1.26 -4.95 105.19 106.59 1bd3 n GLY 127 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1bd3 n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bd3 s VAL 128 N -2.86 2.65 0.23 1.61 0.11 -0.96 -4.93 120.40 116.25 1bd3 s VAL 128 Ca 0.00 0.58 -0.30 0.00 -2.93 0.00 0.00 61.98 59.33 1bd3 s VAL 128 Cb 0.00 -3.34 -0.09 0.00 -1.53 0.00 0.00 36.38 31.41 1bd3 s VAL 128 CO 0.00 0.09 1.32 -0.13 -3.33 0.00 0.00 175.10 173.05 1bd3 s ARG 129 N -2.23 4.38 -0.14 1.54 0.52 -1.26 -4.91 118.95 116.85 1bd3 s ARG 129 Ca 0.57 2.11 0.02 0.00 -0.52 0.00 0.00 55.73 57.90 1bd3 s ARG 129 Cb -0.38 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 31.93 1bd3 s ARG 129 CO 0.48 -0.25 -0.19 0.42 0.02 0.00 0.00 175.30 175.79 1bd3 s ILE 130 N -0.16 2.36 0.30 1.52 -1.09 -1.26 -1.46 121.20 121.40 1bd3 s ILE 130 Ca 0.55 -0.89 0.07 0.00 -2.23 0.00 0.00 60.65 58.16 1bd3 s ILE 130 Cb -0.38 -1.96 -0.03 0.00 -1.58 0.00 0.00 42.46 38.51 1bd3 s ILE 130 CO 0.41 0.54 0.27 -0.83 -1.23 0.00 0.00 174.94 174.10 1bd3 s GLY 131 N 0.71 1.58 0.01 6.18 0.00 0.44 -4.79 107.32 111.44 1bd3 s GLY 131 Ca -0.09 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.12 1bd3 s GLY 131 CO 0.01 -1.50 -0.02 0.54 0.00 0.00 0.00 173.10 172.13 1bd3 s LYS 132 N -3.95 0.16 -0.05 2.90 1.02 0.18 -1.51 119.74 118.50 1bd3 s LYS 132 Ca 0.38 -0.21 0.01 0.00 0.02 0.00 0.00 55.97 56.16 1bd3 s LYS 132 Cb -0.07 -0.05 0.02 0.00 -0.52 0.00 0.00 37.83 37.21 1bd3 s LYS 132 CO 0.26 0.01 -0.04 0.42 -0.92 0.00 0.00 175.35 175.08 1bd3 s ILE 133 N -0.44 0.54 -0.21 2.17 -1.09 -0.41 -1.13 121.20 120.63 1bd3 s ILE 133 Ca -0.04 -0.12 -0.02 0.00 -2.23 0.00 0.00 60.65 58.24 1bd3 s ILE 133 Cb -0.03 -0.57 0.00 0.00 -1.58 0.00 0.00 42.46 40.29 1bd3 s ILE 133 CO -0.00 0.23 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.63 1bd3 s LEU 134 N 0.95 2.73 0.06 2.97 2.96 0.79 -1.37 118.68 127.78 1bd3 s LEU 134 Ca -0.11 -0.54 0.07 0.00 -0.22 0.00 0.00 54.13 53.34 1bd3 s LEU 134 Cb -0.14 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 1bd3 s LEU 134 CO -0.00 -0.03 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.18 1bd3 s ILE 135 N 1.40 1.53 -0.12 6.68 1.01 -1.26 0.00 121.20 130.45 1bd3 s ILE 135 Ca 0.05 -1.28 -0.06 0.00 0.00 0.00 0.00 60.65 59.36 1bd3 s ILE 135 Cb -0.14 -1.37 0.05 0.00 0.01 0.00 0.00 42.46 41.01 1bd3 s ILE 135 CO -0.06 0.04 0.27 -1.58 0.00 0.00 0.00 174.94 173.61 1bd3 s GLN 136 N -1.46 0.21 0.41 2.79 2.00 -0.02 -4.88 119.66 118.72 1bd3 s GLN 136 Ca 0.05 0.61 -0.26 0.00 -2.00 0.00 0.00 55.36 53.77 1bd3 s GLN 136 Cb -0.09 -0.09 -0.09 0.00 0.80 0.00 0.00 33.01 33.55 1bd3 s GLN 136 CO 0.03 -0.19 1.33 1.03 -0.50 0.00 0.00 175.29 176.98 1bd3 s ARG 137 N 1.55 3.92 0.11 1.67 0.52 -1.26 -1.36 118.95 124.09 1bd3 s ARG 137 Ca -0.07 2.21 -0.31 0.00 -0.52 0.00 0.00 55.73 57.04 1bd3 s ARG 137 Cb -0.11 -2.74 -0.07 0.00 0.52 0.00 0.00 34.95 32.56 1bd3 s ARG 137 CO -0.09 -0.55 1.27 0.34 0.02 0.00 0.00 175.30 176.28 1bd3 s ASP 138 N -0.69 6.98 0.30 0.23 -1.08 0.87 -4.82 116.67 118.46 1bd3 s ASP 138 Ca 0.58 2.19 0.05 0.00 -0.52 0.00 0.00 52.55 54.85 1bd3 s ASP 138 Cb -0.39 -2.59 0.77 0.00 -1.46 0.00 0.00 42.92 39.25 1bd3 s ASP 138 CO 0.50 -0.51 1.69 -0.33 0.52 0.00 0.00 175.17 177.04 1bd3 h GLU 139 N 6.38 0.37 0.00 4.34 3.07 -1.92 0.89 114.58 127.71 1bd3 h GLU 139 Ca -0.43 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 1bd3 h GLU 139 Cb 1.21 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1bd3 h GLU 139 CO 0.81 0.25 -0.50 2.41 -1.40 0.00 0.00 179.01 180.57 1bd3 n THR 140 N -5.06 1.23 -0.20 1.13 -1.04 -1.26 -4.61 114.28 104.47 1bd3 n THR 140 Ca 0.23 0.25 -0.07 0.00 -2.04 0.00 0.00 64.05 62.42 1bd3 n THR 140 Cb 0.70 -2.26 0.08 0.00 -1.82 0.00 0.00 70.33 67.02 1bd3 n THR 140 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1bd3 h THR 141 N -0.86 1.26 0.00 12.58 2.02 -1.97 -3.47 112.91 122.47 1bd3 h THR 141 Ca 0.00 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1bd3 h THR 141 Cb 0.50 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1bd3 h THR 141 CO 0.00 0.38 0.00 0.00 0.37 0.00 0.00 175.52 176.27 1bd3 n ALA 142 N -2.47 0.00 -2.07 6.16 0.00 0.31 -4.89 120.51 117.54 1bd3 n ALA 142 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1bd3 n ALA 142 Cb 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 1bd3 n ALA 142 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bd3 s GLU 143 N -0.08 4.25 0.18 0.00 0.41 -1.26 -4.06 118.70 118.13 1bd3 s GLU 143 Ca 0.00 2.17 -0.30 0.00 -0.41 0.00 0.00 54.97 56.43 1bd3 s GLU 143 Cb 0.00 -3.47 -0.08 0.00 -1.78 0.00 0.00 34.13 28.80 1bd3 s GLU 143 CO 0.00 -0.61 1.14 -2.14 -0.49 0.00 0.00 175.26 173.16 1bd3 s PRO 144 N 2.10 4.55 0.03 0.39 0.02 -1.26 -0.09 135.00 140.74 1bd3 s PRO 144 Ca 0.68 1.78 0.07 0.00 0.02 0.00 0.00 61.00 63.55 1bd3 s PRO 144 Cb -0.37 -3.27 -0.02 0.00 0.02 0.00 0.00 34.50 30.86 1bd3 s PRO 144 CO 0.30 0.00 -0.21 0.15 -0.33 0.00 0.00 177.00 176.91 1bd3 s LYS 145 N -0.27 1.51 -0.20 5.54 -0.14 -0.47 -4.88 119.74 120.83 1bd3 s LYS 145 Ca 0.51 -0.90 -0.29 0.00 -1.36 0.00 0.00 55.97 53.93 1bd3 s LYS 145 Cb -0.31 -1.58 -0.00 0.00 -1.68 0.00 0.00 37.83 34.27 1bd3 s LYS 145 CO 0.35 0.41 1.14 -1.17 -0.76 0.00 0.00 175.35 175.33 1bd3 s LEU 146 N -0.98 4.13 -0.17 3.17 2.96 -1.26 -0.84 118.68 125.70 1bd3 s LEU 146 Ca 0.08 1.52 0.16 0.00 -0.22 0.00 0.00 54.13 55.66 1bd3 s LEU 146 Cb -0.09 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.84 1bd3 s LEU 146 CO 0.01 -0.71 0.08 -0.38 -1.32 0.00 0.00 176.35 174.02 1bd3 n ILE 147 N 5.35 1.17 -3.57 6.68 2.08 0.10 -4.99 119.36 126.18 1bd3 n ILE 147 Ca 0.13 -0.74 -0.12 0.00 0.56 0.00 0.00 62.75 62.58 1bd3 n ILE 147 Cb 0.45 -0.50 -0.05 0.00 -0.75 0.00 0.00 39.64 38.79 1bd3 n ILE 147 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 1bd3 s TYR 148 N -2.46 -0.44 -0.15 1.39 6.14 -1.01 -4.98 117.35 115.83 1bd3 s TYR 148 Ca -0.09 0.78 -0.28 0.00 0.64 0.00 0.00 57.07 58.12 1bd3 s TYR 148 Cb 0.06 0.43 0.07 0.00 0.42 0.00 0.00 41.96 42.94 1bd3 s TYR 148 CO 0.73 -0.39 0.69 -1.83 0.64 0.00 0.00 175.55 175.39 1bd3 s GLU 149 N -1.03 0.95 -0.20 4.97 4.04 -1.26 -0.15 118.70 126.03 1bd3 s GLU 149 Ca -0.03 0.60 -0.04 0.00 0.04 0.00 0.00 54.97 55.53 1bd3 s GLU 149 Cb -0.01 0.45 0.09 0.00 0.02 0.00 0.00 34.13 34.69 1bd3 s GLU 149 CO 0.03 -0.22 0.23 0.21 -1.84 0.00 0.00 175.26 173.66 1bd3 s LYS 150 N -0.46 0.19 0.19 -4.83 2.47 -0.28 -5.01 119.74 112.01 1bd3 s LYS 150 Ca -0.06 0.25 0.08 0.00 -1.56 0.00 0.00 55.97 54.68 1bd3 s LYS 150 Cb -0.02 -1.10 -0.05 0.00 -1.46 0.00 0.00 37.83 35.20 1bd3 s LYS 150 CO 0.06 -0.63 -0.15 -0.51 0.16 0.00 0.00 175.35 174.28 1bd3 s LEU 151 N 2.34 2.53 0.64 5.43 1.43 -1.26 -0.65 118.68 129.14 1bd3 s LEU 151 Ca 0.07 -0.99 -0.18 0.00 -1.03 0.00 0.00 54.13 52.00 1bd3 s LEU 151 Cb -0.15 -0.67 -0.01 0.00 0.03 0.00 0.00 46.19 45.38 1bd3 s LEU 151 CO -0.12 -0.16 1.26 -2.65 0.23 0.00 0.00 176.35 174.91 1bd3 n PRO 152 N -0.23 1.09 -0.25 1.29 -0.02 -1.26 -4.91 135.00 130.70 1bd3 n PRO 152 Ca -0.09 0.43 -0.06 0.00 -2.02 0.00 0.00 63.50 61.75 1bd3 n PRO 152 Cb 0.60 -2.49 0.05 0.00 -0.02 0.00 0.00 33.50 31.63 1bd3 n PRO 152 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bd3 h ALA 153 N 0.52 0.91 -0.83 3.55 0.00 -2.02 -3.10 119.26 118.29 1bd3 h ALA 153 Ca -0.51 -0.17 -0.36 0.00 0.00 0.00 0.00 54.91 53.88 1bd3 h ALA 153 Cb 1.34 -0.28 -0.21 0.00 0.00 0.00 0.00 17.79 18.64 1bd3 h ALA 153 CO 0.53 0.51 0.45 -0.40 0.00 0.00 0.00 179.25 180.34 1bd3 n ASP 154 N -4.39 4.14 -0.20 0.00 5.68 -1.26 -4.64 116.55 115.88 1bd3 n ASP 154 Ca 0.06 -3.33 0.30 0.00 -0.50 0.00 0.00 54.79 51.32 1bd3 n ASP 154 Cb 0.16 -0.78 0.73 0.00 -1.14 0.00 0.00 41.12 40.09 1bd3 n ASP 154 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1bd3 h ILE 155 N 1.65 0.44 -0.13 2.12 2.10 -1.92 -0.42 117.51 121.35 1bd3 h ILE 155 Ca 0.44 0.00 0.03 0.00 1.08 0.00 0.00 64.86 66.41 1bd3 h ILE 155 Cb 2.52 0.48 -0.01 0.00 -1.09 0.00 0.00 36.82 38.72 1bd3 h ILE 155 CO 0.88 0.00 0.09 0.08 -1.08 0.00 0.00 178.15 178.12 1bd3 h ARG 156 N 0.00 0.06 -0.10 2.19 0.11 -1.83 -1.00 114.38 113.80 1bd3 h ARG 156 Ca 0.45 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.53 1bd3 h ARG 156 Cb 1.91 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.98 1bd3 h ARG 156 CO -0.00 0.04 0.00 0.39 0.10 0.00 0.00 179.97 180.49 1bd3 n GLU 157 N -4.51 1.84 -3.65 0.08 1.02 -0.17 -4.44 120.64 110.81 1bd3 n GLU 157 Ca -0.00 -1.24 -0.20 0.00 -0.02 0.00 0.00 57.16 55.70 1bd3 n GLU 157 Cb 0.17 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.12 1bd3 n GLU 157 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1bd3 s ARG 158 N -1.89 2.90 0.05 3.49 0.52 -0.38 -4.82 118.95 118.82 1bd3 s ARG 158 Ca 0.35 -1.17 -0.13 0.00 -0.52 0.00 0.00 55.73 54.26 1bd3 s ARG 158 Cb 0.20 -2.63 -0.06 0.00 0.52 0.00 0.00 34.95 32.98 1bd3 s ARG 158 CO 0.30 0.07 0.42 -1.58 0.02 0.00 0.00 175.30 174.54 1bd3 s TRP 159 N -2.25 3.66 -0.08 -0.53 0.52 -0.61 -4.77 118.94 114.88 1bd3 s TRP 159 Ca 0.43 0.92 0.04 0.00 0.02 0.00 0.00 56.10 57.51 1bd3 s TRP 159 Cb -0.07 -2.25 0.00 0.00 -1.15 0.00 0.00 33.47 30.00 1bd3 s TRP 159 CO 0.29 0.57 -0.20 0.14 0.02 0.00 0.00 176.95 177.77 1bd3 s VAL 160 N -1.24 1.70 -0.51 4.03 -7.23 -0.47 -2.00 120.40 114.67 1bd3 s VAL 160 Ca 0.29 -0.82 -0.17 0.00 -1.81 0.00 0.00 61.98 59.47 1bd3 s VAL 160 Cb -0.15 -1.48 0.08 0.00 0.56 0.00 0.00 36.38 35.39 1bd3 s VAL 160 CO 0.16 0.48 0.52 -0.04 -0.31 0.00 0.00 175.10 175.91 1bd3 s MET 161 N 0.35 3.03 -0.26 4.82 -1.94 -0.54 -0.17 119.30 124.59 1bd3 s MET 161 Ca -0.14 -1.30 -0.23 0.00 -1.71 0.00 0.00 55.69 52.31 1bd3 s MET 161 Cb -0.16 -4.18 -0.01 0.00 2.01 0.00 0.00 34.83 32.49 1bd3 s MET 161 CO 0.06 -1.21 0.74 -1.17 -0.01 0.00 0.00 175.02 173.43 1bd3 s LEU 162 N 2.04 4.08 -0.20 -0.03 0.20 0.44 -1.05 118.68 124.15 1bd3 s LEU 162 Ca 0.08 0.85 -0.05 0.00 0.69 0.00 0.00 54.13 55.69 1bd3 s LEU 162 Cb -0.24 -3.04 -0.02 0.00 -0.43 0.00 0.00 46.19 42.46 1bd3 s LEU 162 CO 0.07 -0.47 -0.00 -0.76 -0.29 0.00 0.00 176.35 174.89 1bd3 s LEU 163 N 2.73 3.25 -0.30 -0.68 1.43 0.04 -0.53 118.68 124.62 1bd3 s LEU 163 Ca 0.31 -0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1bd3 s LEU 163 Cb -0.15 -1.82 0.17 0.00 0.03 0.00 0.00 46.19 44.42 1bd3 s LEU 163 CO 0.09 0.07 0.62 -0.62 0.23 0.00 0.00 176.35 176.74 1bd3 s ASP 164 N 0.94 -1.31 0.51 2.29 -1.08 -1.08 -2.39 116.67 114.56 1bd3 s ASP 164 Ca 0.01 1.08 0.15 0.00 -0.52 0.00 0.00 52.55 53.27 1bd3 s ASP 164 Cb -0.14 2.20 1.22 0.00 -1.46 0.00 0.00 42.92 44.74 1bd3 s ASP 164 CO 0.02 -0.25 2.13 1.55 0.52 0.00 0.00 175.17 179.14 1bd3 h PRO 165 N 8.00 0.07 -6.23 4.34 0.13 -1.82 -3.38 132.00 133.11 1bd3 h PRO 165 Ca -0.21 -0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.27 1bd3 h PRO 165 Cb 1.14 -0.01 -0.30 0.00 0.13 0.00 0.00 31.00 31.96 1bd3 h PRO 165 CO 0.21 0.04 -0.87 -1.64 -0.23 0.00 0.00 178.00 175.51 1bd3 s MET 166 N -5.12 1.88 -0.37 0.86 -1.94 -1.26 -1.26 119.30 112.09 1bd3 s MET 166 Ca -0.05 -0.82 0.01 0.00 -1.71 0.00 0.00 55.69 53.12 1bd3 s MET 166 Cb 0.17 -1.80 0.12 0.00 2.01 0.00 0.00 34.83 35.33 1bd3 s MET 166 CO 0.68 0.48 0.17 0.00 -0.01 0.00 0.00 175.02 176.34 1bd3 n ALA 168 N 4.19 0.00 0.11 0.00 0.00 -1.26 -1.70 120.51 121.86 1bd3 n ALA 168 Ca 0.04 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.52 1bd3 n ALA 168 Cb 0.38 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.84 1bd3 n ALA 168 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1bd3 h THR 169 N 0.00 0.07 0.00 0.00 1.35 -1.93 -2.63 112.91 109.77 1bd3 h THR 169 Ca 0.00 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1bd3 h THR 169 Cb 0.00 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1bd3 h THR 169 CO 0.00 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 175.31 1bd3 n ALA 170 N -2.20 0.00 -0.01 6.62 0.00 -1.26 -4.53 120.51 119.13 1bd3 n ALA 170 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1bd3 n ALA 170 Cb 0.58 -0.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 1bd3 n ALA 170 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bd3 h GLY 171 N 0.00 0.16 0.98 0.00 0.00 -1.96 -1.16 103.07 101.10 1bd3 h GLY 171 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1bd3 h GLY 171 CO 0.00 0.02 0.11 1.48 0.00 0.00 0.00 176.54 178.15 1bd3 h SER 172 N 0.11 0.78 -0.35 0.19 4.64 -1.98 -1.93 113.55 115.02 1bd3 h SER 172 Ca 0.06 -0.24 -0.11 0.00 -0.47 0.00 0.00 61.79 61.03 1bd3 h SER 172 Cb 0.03 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 1bd3 h SER 172 CO -0.06 0.83 -0.16 1.62 -0.87 0.00 0.00 176.83 178.18 1bd3 h VAL 173 N 0.71 1.27 -0.80 0.95 3.04 -1.94 0.30 116.25 119.78 1bd3 h VAL 173 Ca 0.16 -1.26 -0.01 0.00 -1.01 0.00 0.00 66.70 64.57 1bd3 h VAL 173 Cb 0.36 1.11 -0.04 0.00 -2.01 0.00 0.00 31.29 30.71 1bd3 h VAL 173 CO 0.00 0.43 0.46 0.00 -1.01 0.00 0.00 177.57 177.45 1bd3 h LYS 175 N 1.11 0.77 -0.71 0.00 1.63 -0.95 0.10 116.57 118.54 1bd3 h LYS 175 Ca 0.29 -0.37 -0.05 0.00 -0.85 0.00 0.00 60.65 59.67 1bd3 h LYS 175 Cb -0.00 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 1bd3 h LYS 175 CO -0.05 0.99 0.25 0.00 -3.45 0.00 0.00 179.45 177.19 1bd3 h ALA 176 N 0.97 0.92 -0.47 5.00 0.00 0.12 -2.24 119.26 123.57 1bd3 h ALA 176 Ca 0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1bd3 h ALA 176 Cb 0.87 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1bd3 h ALA 176 CO 0.08 0.57 0.06 0.82 0.00 0.00 0.00 179.25 180.78 1bd3 h ILE 177 N 1.02 1.25 -0.30 0.00 2.04 0.17 -2.35 117.51 119.35 1bd3 h ILE 177 Ca 0.23 -0.94 0.07 0.00 1.00 0.00 0.00 64.86 65.22 1bd3 h ILE 177 Cb 0.26 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1bd3 h ILE 177 CO -0.01 0.33 -0.14 -0.08 0.00 0.00 0.00 178.15 178.25 1bd3 h GLU 178 N 0.65 -0.09 -0.64 2.37 4.81 -0.42 0.34 114.58 121.59 1bd3 h GLU 178 Ca 0.14 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1bd3 h GLU 178 Cb 0.41 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1bd3 h GLU 178 CO 0.01 -0.06 0.25 -0.24 -0.73 0.00 0.00 179.01 178.24 1bd3 h VAL 179 N -0.09 1.23 -0.35 0.32 3.04 -1.28 0.92 116.25 120.03 1bd3 h VAL 179 Ca 0.16 -0.73 0.01 0.00 -1.01 0.00 0.00 66.70 65.12 1bd3 h VAL 179 Cb 0.33 0.47 -0.02 0.00 -2.01 0.00 0.00 31.29 30.06 1bd3 h VAL 179 CO -0.36 0.29 0.23 -0.07 -1.01 0.00 0.00 177.57 176.65 1bd3 h LEU 180 N 0.93 0.39 -0.78 3.16 4.07 -0.78 0.18 115.31 122.48 1bd3 h LEU 180 Ca 0.22 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1bd3 h LEU 180 Cb 0.20 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 41.80 1bd3 h LEU 180 CO -0.02 0.29 0.50 -0.07 -1.08 0.00 0.00 178.44 178.06 1bd3 h LEU 181 N 0.47 0.91 -1.01 1.67 3.38 -0.42 -1.16 115.31 119.15 1bd3 h LEU 181 Ca 0.13 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1bd3 h LEU 181 Cb -0.05 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1bd3 h LEU 181 CO -0.03 0.68 0.56 -0.09 0.09 0.00 0.00 178.44 179.64 1bd3 h ARG 182 N 1.06 1.24 0.00 1.13 2.43 0.07 -0.27 114.38 120.05 1bd3 h ARG 182 Ca 0.28 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1bd3 h ARG 182 Cb -0.10 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.19 1bd3 h ARG 182 CO -0.06 0.86 0.00 1.28 -1.51 0.00 0.00 179.97 180.54 1bd3 n LEU 183 N -4.36 0.59 0.00 3.80 7.99 0.53 -4.87 117.00 120.68 1bd3 n LEU 183 Ca 0.10 0.66 0.00 0.00 -0.01 0.00 0.00 56.01 56.76 1bd3 n LEU 183 Cb 0.05 -0.60 0.00 0.00 -0.11 0.00 0.00 43.42 42.76 1bd3 n LEU 183 CO 0.38 -0.58 0.00 0.61 -1.51 0.00 0.00 177.39 176.28 1bd3 n GLY 184 N -0.19 0.96 3.76 -0.72 0.00 -0.11 -4.68 105.19 104.21 1bd3 n GLY 184 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1bd3 n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bd3 s VAL 185 N -2.00 3.25 -0.07 1.61 1.01 -0.81 -4.71 120.40 118.68 1bd3 s VAL 185 Ca 0.00 1.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.92 1bd3 s VAL 185 Cb 0.00 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1bd3 s VAL 185 CO 0.00 0.28 0.94 -0.54 0.00 0.00 0.00 175.10 175.79 1bd3 s LYS 186 N -1.39 4.46 0.32 2.72 -0.14 -1.26 -4.47 119.74 119.97 1bd3 s LYS 186 Ca 0.47 1.30 0.08 0.00 -1.36 0.00 0.00 55.97 56.47 1bd3 s LYS 186 Cb -0.35 -3.51 0.90 0.00 -1.68 0.00 0.00 37.83 33.20 1bd3 s LYS 186 CO 0.44 -0.18 1.66 1.49 -0.76 0.00 0.00 175.35 178.01 1bd3 h GLU 187 N 6.98 0.29 0.00 1.68 4.81 -1.95 0.56 114.58 126.95 1bd3 h GLU 187 Ca -0.36 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1bd3 h GLU 187 Cb 1.18 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1bd3 h GLU 187 CO 0.80 0.19 0.00 -0.85 -0.73 0.00 0.00 179.01 178.43 1bd3 n GLU 188 N -5.11 0.27 -0.53 1.92 0.00 -1.26 -2.38 120.64 113.55 1bd3 n GLU 188 Ca 0.27 0.10 0.10 0.00 0.00 0.00 0.00 57.16 57.62 1bd3 n GLU 188 Cb 0.83 -1.50 0.33 0.00 0.00 0.00 0.00 31.44 31.10 1bd3 n GLU 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1bd3 n ARG 189 N -1.29 3.45 -3.89 3.44 1.74 0.20 -4.85 116.66 115.45 1bd3 n ARG 189 Ca 0.09 -2.79 -0.35 0.00 -0.77 0.00 0.00 57.85 54.03 1bd3 n ARG 189 Cb 0.16 -1.78 -0.10 0.00 -1.02 0.00 0.00 32.46 29.72 1bd3 n ARG 189 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bd3 s ILE 190 N -1.67 4.92 -0.26 0.55 1.01 -1.00 -1.37 121.20 123.38 1bd3 s ILE 190 Ca 0.48 0.02 0.03 0.00 0.00 0.00 0.00 60.65 61.18 1bd3 s ILE 190 Cb 0.30 -3.24 0.06 0.00 0.01 0.00 0.00 42.46 39.59 1bd3 s ILE 190 CO 0.25 0.43 -0.11 -0.63 0.00 0.00 0.00 174.94 174.88 1bd3 s ILE 191 N 0.59 2.20 -0.37 2.92 1.01 0.76 -1.88 121.20 126.44 1bd3 s ILE 191 Ca 0.05 -1.57 -0.23 0.00 0.00 0.00 0.00 60.65 58.89 1bd3 s ILE 191 Cb -0.13 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.08 1bd3 s ILE 191 CO 0.01 0.01 0.79 0.12 0.00 0.00 0.00 174.94 175.87 1bd3 s PHE 192 N 1.12 3.10 -0.27 3.97 5.36 -0.16 -0.42 117.98 130.68 1bd3 s PHE 192 Ca -0.08 0.53 -0.12 0.00 -0.96 0.00 0.00 56.93 56.30 1bd3 s PHE 192 Cb -0.19 -3.43 -0.05 0.00 -0.34 0.00 0.00 43.02 39.01 1bd3 s PHE 192 CO -0.05 -0.76 0.25 0.08 -1.46 0.00 0.00 175.22 173.28 1bd3 s VAL 193 N 3.13 5.27 0.04 3.12 1.01 0.31 -0.57 120.40 132.70 1bd3 s VAL 193 Ca 0.31 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.61 1bd3 s VAL 193 Cb -0.13 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1bd3 s VAL 193 CO 0.17 0.23 -0.05 0.21 0.00 0.00 0.00 175.10 175.66 1bd3 s ASN 194 N 1.67 0.54 -0.17 3.32 3.84 0.40 -2.62 114.94 121.92 1bd3 s ASN 194 Ca 0.10 -0.59 -0.15 0.00 0.21 0.00 0.00 52.86 52.43 1bd3 s ASN 194 Cb -0.16 0.08 -0.11 0.00 -0.55 0.00 0.00 41.25 40.52 1bd3 s ASN 194 CO 0.10 -0.30 0.01 -0.38 -2.79 0.00 0.00 177.10 173.75 1bd3 n ILE 195 N 1.33 1.47 -4.60 -5.21 5.41 -0.46 -2.77 119.36 114.53 1bd3 n ILE 195 Ca -0.22 0.10 -0.25 0.00 1.00 0.00 0.00 62.75 63.38 1bd3 n ILE 195 Cb 0.56 -2.22 -0.16 0.00 -0.71 0.00 0.00 39.64 37.10 1bd3 n ILE 195 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1bd3 s LEU 196 N -8.05 1.67 0.19 1.39 0.20 -0.39 -1.26 118.68 112.44 1bd3 s LEU 196 Ca -0.22 -0.30 0.05 0.00 0.69 0.00 0.00 54.13 54.36 1bd3 s LEU 196 Cb 0.04 -0.83 -0.05 0.00 -0.43 0.00 0.00 46.19 44.92 1bd3 s LEU 196 CO 0.40 0.04 -0.09 0.00 -0.29 0.00 0.00 176.35 176.41 1bd3 s ALA 197 N 0.60 1.76 -0.02 5.97 0.00 -0.31 -1.36 121.76 128.39 1bd3 s ALA 197 Ca -0.13 -1.63 0.04 0.00 0.00 0.00 0.00 51.96 50.23 1bd3 s ALA 197 Cb -0.15 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1bd3 s ALA 197 CO 0.04 -0.08 -0.11 0.00 0.00 0.00 0.00 175.76 175.61 1bd3 s ALA 198 N -3.22 2.83 0.32 0.00 0.00 -0.69 -1.51 121.76 119.50 1bd3 s ALA 198 Ca 0.22 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 51.26 1bd3 s ALA 198 Cb 0.02 -1.03 0.88 0.00 0.00 0.00 0.00 23.12 22.99 1bd3 s ALA 198 CO 0.05 0.58 1.74 -1.35 0.00 0.00 0.00 175.76 176.78 1bd3 h PRO 199 N 4.89 0.58 -0.75 0.00 0.11 -1.84 0.75 132.00 135.74 1bd3 h PRO 199 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1bd3 h PRO 199 Cb 1.16 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1bd3 h PRO 199 CO 0.51 0.39 0.42 0.37 -0.21 0.00 0.00 178.00 179.48 1bd3 h GLN 200 N 0.60 1.05 -0.43 1.05 4.15 -1.92 -0.30 115.11 119.31 1bd3 h GLN 200 Ca 0.63 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.86 1bd3 h GLN 200 Cb 1.19 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 1bd3 h GLN 200 CO -0.44 0.77 -0.02 0.78 -1.93 0.00 0.00 178.83 177.99 1bd3 h GLY 201 N 1.04 0.83 0.84 2.39 0.00 -0.49 -2.06 103.07 105.62 1bd3 h GLY 201 Ca 0.27 -0.63 0.02 0.00 0.00 0.00 0.00 47.33 46.99 1bd3 h GLY 201 CO -0.04 0.58 0.13 -2.22 0.00 0.00 0.00 176.54 174.98 1bd3 h ILE 202 N 0.60 0.97 -0.84 2.60 2.04 -0.80 -1.86 117.51 120.23 1bd3 h ILE 202 Ca 0.12 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.93 1bd3 h ILE 202 Cb 0.52 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 1bd3 h ILE 202 CO 0.03 0.05 0.53 -0.33 0.00 0.00 0.00 178.15 178.42 1bd3 h GLU 203 N 0.28 0.96 -0.41 2.37 5.08 -0.88 -2.31 114.58 119.67 1bd3 h GLU 203 Ca 0.12 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1bd3 h GLU 203 Cb 0.06 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1bd3 h GLU 203 CO -0.10 0.64 0.11 -0.09 -1.00 0.00 0.00 179.01 178.57 1bd3 h ARG 204 N 0.99 0.65 -0.45 2.33 2.43 -0.78 -0.64 114.38 118.91 1bd3 h ARG 204 Ca 0.35 -0.15 0.05 0.00 -0.81 0.00 0.00 59.98 59.42 1bd3 h ARG 204 Cb 0.09 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 1bd3 h ARG 204 CO -0.14 0.66 0.19 -0.24 -1.51 0.00 0.00 179.97 178.93 1bd3 h VAL 205 N 0.52 0.91 0.00 0.20 3.04 -1.02 -1.62 116.25 118.28 1bd3 h VAL 205 Ca 0.13 -0.13 -0.07 0.00 -1.01 0.00 0.00 66.70 65.62 1bd3 h VAL 205 Cb 0.29 0.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.05 1bd3 h VAL 205 CO -0.00 0.07 -0.33 -0.26 -1.01 0.00 0.00 177.57 176.04 1bd3 h PHE 206 N 0.39 0.00 -0.28 3.17 0.04 -1.29 0.18 116.94 119.15 1bd3 h PHE 206 Ca 0.21 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.83 1bd3 h PHE 206 Cb 0.16 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1bd3 h PHE 206 CO -0.13 0.33 -0.43 -0.22 -0.60 0.00 0.00 178.31 177.26 1bd3 h LYS 207 N 0.00 0.70 0.13 1.51 3.64 -0.55 -3.06 116.57 118.94 1bd3 h LYS 207 Ca -0.00 -0.38 -0.33 0.00 -1.27 0.00 0.00 60.65 58.67 1bd3 h LYS 207 Cb 0.89 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1bd3 h LYS 207 CO 0.04 0.99 -1.69 0.93 -2.27 0.00 0.00 179.45 177.46 1bd3 h GLU 208 N 0.57 0.26 -2.18 1.90 5.08 -1.03 -3.42 114.58 115.76 1bd3 h GLU 208 Ca 0.04 -0.45 -0.58 0.00 -1.00 0.00 0.00 59.36 57.37 1bd3 h GLU 208 Cb 0.97 0.17 -0.39 0.00 0.50 0.00 0.00 28.75 30.00 1bd3 h GLU 208 CO 0.09 1.12 -1.00 0.66 -1.00 0.00 0.00 179.01 178.88 1bd3 n TYR 209 N -3.45 -0.09 0.19 4.33 4.01 0.62 -4.98 117.16 117.79 1bd3 n TYR 209 Ca -0.21 -3.56 0.18 0.00 -0.16 0.00 0.00 57.90 54.15 1bd3 n TYR 209 Cb 1.05 -0.18 0.76 0.00 -0.31 0.00 0.00 39.34 40.67 1bd3 n TYR 209 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1bd3 h PRO 210 N 4.60 0.00 0.00 -0.72 0.13 -1.72 -2.51 132.00 131.78 1bd3 h PRO 210 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1bd3 h PRO 210 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1bd3 h PRO 210 CO 0.47 0.00 -0.31 1.63 -0.23 0.00 0.00 178.00 179.56 1bd3 n LYS 211 N -3.39 0.28 -1.37 0.86 5.02 -1.26 -4.90 118.16 113.40 1bd3 n LYS 211 Ca 0.04 0.16 -0.30 0.00 -2.02 0.00 0.00 58.31 56.18 1bd3 n LYS 211 Cb 0.53 -1.75 0.12 0.00 -0.02 0.00 0.00 35.03 33.91 1bd3 n LYS 211 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1bd3 s VAL 212 N -3.14 2.83 0.08 -0.18 -7.23 -0.95 -4.21 120.40 107.61 1bd3 s VAL 212 Ca 0.08 0.27 0.07 0.00 -1.81 0.00 0.00 61.98 60.60 1bd3 s VAL 212 Cb 0.13 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 1bd3 s VAL 212 CO 0.66 -0.35 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.81 1bd3 s ARG 213 N -5.04 2.01 -0.03 4.82 3.00 -0.79 -4.86 118.95 118.05 1bd3 s ARG 213 Ca 0.62 -1.05 0.03 0.00 0.00 0.00 0.00 55.73 55.33 1bd3 s ARG 213 Cb -0.16 -2.20 0.01 0.00 0.00 0.00 0.00 34.95 32.59 1bd3 s ARG 213 CO 0.56 0.52 -0.10 1.41 0.00 0.00 0.00 175.30 177.68 1bd3 s MET 214 N -1.85 1.17 -0.15 3.54 -2.45 -0.57 -0.99 119.30 118.00 1bd3 s MET 214 Ca 0.17 -0.35 0.02 0.00 -1.25 0.00 0.00 55.69 54.28 1bd3 s MET 214 Cb -0.11 -1.06 0.01 0.00 1.25 0.00 0.00 34.83 34.93 1bd3 s MET 214 CO 0.09 0.11 -0.20 0.08 1.05 0.00 0.00 175.02 176.14 1bd3 s VAL 215 N 0.29 2.00 0.16 10.11 1.01 0.26 0.28 120.40 134.51 1bd3 s VAL 215 Ca -0.05 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.02 1bd3 s VAL 215 Cb -0.10 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 1bd3 s VAL 215 CO 0.01 0.53 -0.02 0.28 0.00 0.00 0.00 175.10 175.91 1bd3 s THR 216 N 1.05 0.72 -0.25 3.92 -1.32 -0.54 -0.45 115.64 118.76 1bd3 s THR 216 Ca -0.02 -1.98 0.21 0.00 -1.21 0.00 0.00 61.69 58.69 1bd3 s THR 216 Cb -0.14 -2.04 -0.30 0.00 -1.51 0.00 0.00 72.50 68.51 1bd3 s THR 216 CO -0.07 -0.55 0.55 0.00 -2.21 0.00 0.00 174.62 172.34 1bd3 n ALA 217 N -0.21 3.22 -3.56 11.08 0.00 -0.58 -1.92 120.51 128.54 1bd3 n ALA 217 Ca -0.08 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 52.71 1bd3 n ALA 217 Cb 0.63 -0.72 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 1bd3 n ALA 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bd3 s ALA 218 N -3.32 -1.85 -0.13 0.00 0.00 -0.39 -4.69 121.76 111.38 1bd3 s ALA 218 Ca -0.04 1.52 0.02 0.00 0.00 0.00 0.00 51.96 53.46 1bd3 s ALA 218 Cb 0.14 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1bd3 s ALA 218 CO 0.86 -0.33 -0.20 0.08 0.00 0.00 0.00 175.76 176.17 1bd3 s VAL 219 N -0.93 1.86 0.59 0.00 1.01 -1.26 -1.17 120.40 120.51 1bd3 s VAL 219 Ca -0.05 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1bd3 s VAL 219 Cb -0.01 -1.66 0.11 0.00 0.00 0.00 0.00 36.38 34.82 1bd3 s VAL 219 CO 0.05 0.51 0.82 0.47 0.00 0.00 0.00 175.10 176.95 1bd3 n ASP 220 N 4.13 1.68 -0.07 3.32 9.92 -0.57 -4.94 116.55 130.03 1bd3 n ASP 220 Ca -0.20 -2.28 -0.15 0.00 -0.53 0.00 0.00 54.79 51.64 1bd3 n ASP 220 Cb 0.51 -0.48 -0.13 0.00 -0.64 0.00 0.00 41.12 40.39 1bd3 n ASP 220 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1bd3 h ILE 221 N -0.18 1.75 -3.06 0.53 -0.00 -1.84 -3.38 117.51 111.33 1bd3 h ILE 221 Ca -0.27 -2.35 -0.12 0.00 -0.00 0.00 0.00 64.86 62.11 1bd3 h ILE 221 Cb 1.15 3.34 -0.02 0.00 -0.00 0.00 0.00 36.82 41.29 1bd3 h ILE 221 CO 0.35 0.60 0.01 0.00 -0.00 0.00 0.00 178.15 179.12 1bd3 s LEU 223 N 0.00 2.31 0.41 0.00 2.96 -1.26 0.16 118.68 123.27 1bd3 s LEU 223 Ca 0.16 -0.70 0.08 0.00 -0.22 0.00 0.00 54.13 53.44 1bd3 s LEU 223 Cb -0.02 -1.26 -0.01 0.00 0.50 0.00 0.00 46.19 45.40 1bd3 s LEU 223 CO 0.11 0.20 0.42 0.54 -1.32 0.00 0.00 176.35 176.30 1bd3 s ASN 224 N -1.89 5.25 0.52 3.68 4.22 0.62 -4.91 114.94 122.44 1bd3 s ASN 224 Ca 0.14 -0.63 0.34 0.00 -2.14 0.00 0.00 52.86 50.57 1bd3 s ASN 224 Cb -0.10 -0.64 1.49 0.00 1.28 0.00 0.00 41.25 43.28 1bd3 s ASN 224 CO 0.05 -0.65 1.79 0.28 -2.04 0.00 0.00 177.10 176.53 1bd3 h SER 225 N 0.94 0.07 -0.38 3.54 0.02 -2.01 2.35 113.55 118.08 1bd3 h SER 225 Ca -0.41 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1bd3 h SER 225 Cb 1.27 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1bd3 h SER 225 CO 0.54 0.01 0.00 0.54 -1.14 0.00 0.00 176.83 176.78 1bd3 n ARG 226 N -4.25 1.95 -1.64 3.45 1.74 -1.26 -4.92 116.66 111.73 1bd3 n ARG 226 Ca 0.26 -1.47 -0.08 0.00 -0.77 0.00 0.00 57.85 55.80 1bd3 n ARG 226 Cb 1.22 -1.35 -0.02 0.00 -1.02 0.00 0.00 32.46 31.30 1bd3 n ARG 226 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1bd3 n TYR 227 N 0.69 -0.16 -3.82 -1.55 4.01 0.79 -5.02 117.16 112.10 1bd3 n TYR 227 Ca 0.15 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.53 1bd3 n TYR 227 Cb 0.36 -1.81 -0.05 0.00 -0.31 0.00 0.00 39.34 37.53 1bd3 n TYR 227 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1bd3 s TYR 228 N -2.32 3.59 0.27 -0.72 2.02 -1.25 -4.76 117.35 114.17 1bd3 s TYR 228 Ca 0.00 0.53 -0.29 0.00 -0.37 0.00 0.00 57.07 56.93 1bd3 s TYR 228 Cb 0.00 -1.95 -0.09 0.00 -0.40 0.00 0.00 41.96 39.52 1bd3 s TYR 228 CO 0.00 0.66 1.05 0.42 -1.57 0.00 0.00 175.55 176.12 1bd3 s ILE 229 N -1.21 3.65 0.04 2.71 1.01 -1.26 -0.27 121.20 125.86 1bd3 s ILE 229 Ca 0.24 1.65 0.05 0.00 0.00 0.00 0.00 60.65 62.58 1bd3 s ILE 229 Cb -0.13 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 1bd3 s ILE 229 CO 0.13 0.38 -0.14 0.54 0.00 0.00 0.00 174.94 175.86 1bd3 s VAL 230 N -1.18 1.08 0.18 2.92 0.11 0.43 -2.36 120.40 121.57 1bd3 s VAL 230 Ca 0.44 -0.99 0.34 0.00 -2.93 0.00 0.00 61.98 58.83 1bd3 s VAL 230 Cb -0.30 -0.99 0.35 0.00 -1.53 0.00 0.00 36.38 33.91 1bd3 s VAL 230 CO 0.38 -0.01 2.02 1.55 -3.33 0.00 0.00 175.10 175.71 1bd3 h PRO 231 N 4.93 0.00 0.00 1.54 0.13 -1.96 -2.71 132.00 133.94 1bd3 h PRO 231 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1bd3 h PRO 231 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1bd3 h PRO 231 CO 0.44 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.62 1bd3 n GLY 232 N -0.85 0.87 0.00 1.56 0.00 -1.00 -4.74 105.19 101.04 1bd3 n GLY 232 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1bd3 n GLY 232 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1bd3 n ILE 233 N 0.00 0.00 -2.54 -0.61 0.00 -1.26 -4.84 119.36 110.10 1bd3 n ILE 233 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 1bd3 n ILE 233 Cb 0.00 1.86 0.00 0.00 0.00 0.00 0.00 39.64 41.50 1bd3 n ILE 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1bd3 n GLY 234 N 0.00 -1.08 3.52 4.50 0.00 -1.26 -4.68 105.19 106.18 1bd3 n GLY 234 Ca 0.00 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 1bd3 n GLY 234 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bd3 s ASP 235 N -4.00 6.35 0.14 1.61 -1.08 -1.26 -4.91 116.67 113.52 1bd3 s ASP 235 Ca 0.00 -0.33 -0.19 0.00 -0.52 0.00 0.00 52.55 51.51 1bd3 s ASP 235 Cb 0.00 -2.42 0.01 0.00 -1.46 0.00 0.00 42.92 39.05 1bd3 s ASP 235 CO 0.00 -1.15 1.70 0.15 0.52 0.00 0.00 175.17 176.39 1bd3 h PHE 236 N 9.23 -0.08 0.04 -5.34 3.57 -1.99 -1.69 116.94 120.67 1bd3 h PHE 236 Ca -0.26 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.29 1bd3 h PHE 236 Cb 1.08 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 1bd3 h PHE 236 CO 0.88 -0.08 -0.29 0.78 -2.23 0.00 0.00 178.31 177.37 1bd3 h GLY 237 N 0.03 -0.49 1.68 2.40 0.00 -1.91 0.37 103.07 105.16 1bd3 h GLY 237 Ca 0.12 0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.70 1bd3 h GLY 237 CO -0.24 -0.23 -0.32 -0.55 0.00 0.00 0.00 176.54 175.21 1bd3 h ASP 238 N -0.46 0.37 -0.25 0.19 3.32 -1.87 -1.69 116.42 116.03 1bd3 h ASP 238 Ca 0.05 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1bd3 h ASP 238 Cb 0.53 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1bd3 h ASP 238 CO -0.22 0.68 0.06 0.03 -1.72 0.00 0.00 179.24 178.07 1bd3 h ARG 239 N 0.32 0.40 -0.29 3.56 3.08 -0.81 0.22 114.38 120.86 1bd3 h ARG 239 Ca 0.04 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1bd3 h ARG 239 Cb 0.72 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1bd3 h ARG 239 CO 0.06 0.49 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.52 1bd3 h TYR 240 N 0.23 0.57 -0.00 3.04 5.03 -0.14 -3.21 116.97 122.48 1bd3 h TYR 240 Ca 0.08 -0.10 0.00 0.00 2.58 0.00 0.00 58.73 61.29 1bd3 h TYR 240 Cb 0.27 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.41 1bd3 h TYR 240 CO 0.01 0.66 -0.31 1.19 -1.32 0.00 0.00 178.16 178.40 1bd3 n PHE 241 N -4.57 0.00 -2.12 -3.82 3.72 -0.65 -4.88 117.46 105.13 1bd3 n PHE 241 Ca -0.03 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.29 1bd3 n PHE 241 Cb 0.26 -0.23 -0.00 0.00 -0.94 0.00 0.00 39.48 38.57 1bd3 n PHE 241 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bd3 n GLY 242 N 1.41 0.07 1.94 1.37 0.00 0.71 -4.93 105.19 105.77 1bd3 n GLY 242 Ca 0.09 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 1bd3 n GLY 242 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bd3 n THR 243 N -3.97 2.96 1.34 2.61 -2.24 -0.74 -5.02 114.28 109.23 1bd3 n THR 243 Ca -0.09 -1.87 0.13 0.00 -2.27 0.00 0.00 64.05 59.95 1bd3 n THR 243 Cb 0.56 -0.39 0.39 0.00 -2.10 0.00 0.00 70.33 68.80 1bd3 n THR 243 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65