#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yi2 s HIS 2 N 0.00 2.69 -0.32 1.12 3.76 -0.10 -4.28 115.29 118.17 1yi2 s HIS 2 Ca 0.00 -0.18 -0.13 0.00 -0.15 0.00 0.00 55.06 54.60 1yi2 s HIS 2 Cb 0.00 -1.39 -0.03 0.00 1.11 0.00 0.00 32.58 32.28 1yi2 s HIS 2 CO 0.00 0.44 0.26 0.00 -0.85 0.00 0.00 174.74 174.59 1yi2 s ALA 3 N -1.33 3.52 -0.26 -1.40 0.00 0.23 -0.80 121.76 121.72 1yi2 s ALA 3 Ca 0.22 -1.21 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 1yi2 s ALA 3 Cb -0.10 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 1yi2 s ALA 3 CO 0.14 -0.83 0.12 -0.51 0.00 0.00 0.00 175.76 174.68 1yi2 s LEU 4 N 1.82 3.74 -0.13 0.00 1.43 0.93 -2.84 118.68 123.62 1yi2 s LEU 4 Ca 0.08 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1yi2 s LEU 4 Cb -0.17 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.05 1yi2 s LEU 4 CO 0.11 -0.02 -0.18 -0.69 0.23 0.00 0.00 176.35 175.80 1yi2 s VAL 5 N 1.56 1.74 -0.09 -1.59 1.01 0.26 -0.67 120.40 122.63 1yi2 s VAL 5 Ca 0.06 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 1yi2 s VAL 5 Cb -0.15 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1yi2 s VAL 5 CO 0.07 0.49 1.08 -1.58 0.00 0.00 0.00 175.10 175.16 1yi2 s GLN 6 N 1.04 4.39 0.00 2.72 0.74 -1.02 -0.31 119.66 127.23 1yi2 s GLN 6 Ca -0.04 1.50 0.04 0.00 0.05 0.00 0.00 55.36 56.91 1yi2 s GLN 6 Cb -0.15 -3.55 -0.03 0.00 1.10 0.00 0.00 33.01 30.38 1yi2 s GLN 6 CO -0.04 -0.38 0.27 1.28 -0.55 0.00 0.00 175.29 175.87 1yi2 n LEU 7 N 5.14 0.43 -4.15 3.68 4.77 -0.71 -0.33 117.00 125.83 1yi2 n LEU 7 Ca 0.10 -0.60 -0.28 0.00 -0.03 0.00 0.00 56.01 55.20 1yi2 n LEU 7 Cb 0.48 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.40 1yi2 n LEU 7 CO 0.53 0.10 -0.52 -0.13 -1.33 0.00 0.00 177.39 176.04 1yi2 s ARG 8 N -1.19 2.08 1.08 3.23 0.52 -1.10 -4.93 118.95 118.65 1yi2 s ARG 8 Ca 0.02 -0.66 -0.12 0.00 -0.52 0.00 0.00 55.73 54.45 1yi2 s ARG 8 Cb 0.03 -1.73 0.24 0.00 0.52 0.00 0.00 34.95 34.00 1yi2 s ARG 8 CO 0.15 0.22 1.06 0.20 0.02 0.00 0.00 175.30 176.94 1yi2 s GLY 9 N 0.15 1.57 0.18 -3.53 0.00 -1.26 -4.89 107.32 99.54 1yi2 s GLY 9 Ca -0.08 -0.10 -0.06 0.00 0.00 0.00 0.00 44.72 44.48 1yi2 s GLY 9 CO 0.04 0.55 1.53 1.05 0.00 0.00 0.00 173.10 176.26 1yi2 h GLU 10 N -2.30 0.75 -6.19 2.90 4.11 -1.98 -3.42 114.58 108.44 1yi2 h GLU 10 Ca -0.57 -0.39 -0.71 0.00 0.07 0.00 0.00 59.36 57.75 1yi2 h GLU 10 Cb 1.32 0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.61 1yi2 h GLU 10 CO 0.51 1.02 0.83 0.28 0.07 0.00 0.00 179.01 181.72 1yi2 n VAL 11 N -4.04 0.27 -0.73 -1.06 0.31 -1.26 -0.51 118.33 111.32 1yi2 n VAL 11 Ca -0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1yi2 n VAL 11 Cb 0.54 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 1yi2 n VAL 11 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1yi2 n ASN 12 N 4.91 0.00 -4.79 4.52 3.02 -1.26 -5.02 115.26 116.64 1yi2 n ASN 12 Ca 0.24 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.41 1yi2 n ASN 12 Cb 0.16 -0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 38.98 1yi2 n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yi2 s MET 13 N -0.10 4.39 0.22 3.52 0.23 0.33 -4.98 119.30 122.92 1yi2 s MET 13 Ca 0.00 0.96 -0.30 0.00 -1.03 0.00 0.00 55.69 55.32 1yi2 s MET 13 Cb 0.00 -3.23 -0.15 0.00 -1.53 0.00 0.00 34.83 29.92 1yi2 s MET 13 CO 0.00 0.59 0.94 0.72 -2.03 0.00 0.00 175.02 175.24 1yi2 n HIS 14 N 1.59 0.83 -0.02 3.16 8.25 -1.26 -4.76 115.22 123.02 1yi2 n HIS 14 Ca -0.07 0.78 -0.01 0.00 -0.26 0.00 0.00 57.72 58.15 1yi2 n HIS 14 Cb 0.50 -2.18 0.28 0.00 1.12 0.00 0.00 29.99 29.70 1yi2 n HIS 14 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1yi2 h THR 15 N 1.99 1.20 0.00 1.59 2.02 -1.96 -0.85 112.91 116.91 1yi2 h THR 15 Ca -0.38 -0.81 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 1yi2 h THR 15 Cb 1.37 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1yi2 h THR 15 CO 0.63 0.28 -0.12 -2.24 0.37 0.00 0.00 175.52 174.43 1yi2 h ASP 16 N 0.54 0.00 0.25 4.18 2.03 -2.00 -1.04 116.42 120.38 1yi2 h ASP 16 Ca 0.12 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 56.07 1yi2 h ASP 16 Cb 0.34 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.85 1yi2 h ASP 16 CO 0.01 0.12 -1.65 0.40 -1.03 0.00 0.00 179.24 177.09 1yi2 h ILE 17 N 0.00 1.06 -0.57 4.15 2.04 -1.70 -3.19 117.51 119.29 1yi2 h ILE 17 Ca -0.00 -2.60 -0.08 0.00 1.00 0.00 0.00 64.86 63.18 1yi2 h ILE 17 Cb 0.54 2.84 -0.02 0.00 -0.74 0.00 0.00 36.82 39.44 1yi2 h ILE 17 CO 0.02 0.84 0.04 -0.61 0.00 0.00 0.00 178.15 178.44 1yi2 h GLN 18 N 0.11 0.95 0.00 2.37 4.15 -0.85 -2.28 115.11 119.57 1yi2 h GLN 18 Ca -0.31 -0.26 -0.06 0.00 0.77 0.00 0.00 58.65 58.79 1yi2 h GLN 18 Cb 2.11 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 29.68 1yi2 h GLN 18 CO 0.20 0.91 -0.29 -0.44 -1.93 0.00 0.00 178.83 177.28 1yi2 h ASP 19 N 0.88 0.00 -0.01 -0.69 3.32 -1.31 -1.71 116.42 116.90 1yi2 h ASP 19 Ca 0.17 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1yi2 h ASP 19 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1yi2 h ASP 19 CO 0.02 0.29 -0.01 0.74 -1.72 0.00 0.00 179.24 178.56 1yi2 h THR 20 N 0.00 1.44 -0.69 0.35 2.02 -1.42 0.16 112.91 114.77 1yi2 h THR 20 Ca -0.00 -1.31 0.16 0.00 0.77 0.00 0.00 66.41 66.03 1yi2 h THR 20 Cb 0.60 2.31 -0.04 0.00 -1.74 0.00 0.00 68.15 69.28 1yi2 h THR 20 CO 0.04 0.34 0.47 -0.07 0.37 0.00 0.00 175.52 176.67 1yi2 h LEU 21 N -0.52 0.22 -0.18 2.58 3.38 -1.15 0.24 115.31 119.89 1yi2 h LEU 21 Ca 0.00 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 1yi2 h LEU 21 Cb 0.57 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1yi2 h LEU 21 CO 0.00 0.11 -0.95 -0.33 0.09 0.00 0.00 178.44 177.37 1yi2 h GLU 22 N 0.24 0.37 0.00 1.13 5.08 -1.05 0.23 114.58 120.57 1yi2 h GLU 22 Ca 0.33 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1yi2 h GLU 22 Cb 0.97 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1yi2 h GLU 22 CO -0.07 1.09 -0.18 0.52 -1.00 0.00 0.00 179.01 179.37 1yi2 h MET 23 N 0.20 0.00 -0.83 2.33 2.86 0.14 -1.12 114.93 118.52 1yi2 h MET 23 Ca -0.08 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 1yi2 h MET 23 Cb 1.58 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 33.17 1yi2 h MET 23 CO 0.16 0.18 0.17 1.28 1.06 0.00 0.00 176.91 179.76 1yi2 n LEU 24 N -3.41 4.70 -1.82 1.22 4.77 0.34 -4.91 117.00 117.88 1yi2 n LEU 24 Ca -0.00 -2.43 -0.20 0.00 -0.03 0.00 0.00 56.01 53.35 1yi2 n LEU 24 Cb 0.37 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 1yi2 n LEU 24 CO 0.32 0.64 -0.21 0.59 -1.33 0.00 0.00 177.39 177.40 1yi2 n ASN 25 N 0.03 -5.40 -4.32 -1.43 3.02 -0.42 -4.85 115.26 101.90 1yi2 n ASN 25 Ca 0.27 0.35 -0.34 0.00 -0.03 0.00 0.00 54.58 54.83 1yi2 n ASN 25 Cb 1.04 -4.70 -0.14 0.00 -0.61 0.00 0.00 39.78 35.37 1yi2 n ASN 25 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1yi2 s ILE 26 N -2.78 3.08 0.00 2.41 -4.36 0.77 -4.64 121.20 115.67 1yi2 s ILE 26 Ca 0.00 -0.62 0.00 0.00 -0.26 0.00 0.00 60.65 59.77 1yi2 s ILE 26 Cb 0.00 -2.34 0.00 0.00 1.25 0.00 0.00 42.46 41.37 1yi2 s ILE 26 CO 0.00 0.48 0.68 1.41 0.24 0.00 0.00 174.94 177.76 1yi2 n HIS 27 N 4.18 0.00 -3.81 1.37 8.25 -1.26 -3.46 115.22 120.49 1yi2 n HIS 27 Ca -0.18 -0.23 -0.10 0.00 -0.26 0.00 0.00 57.72 56.94 1yi2 n HIS 27 Cb 0.52 -0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.53 1yi2 n HIS 27 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1yi2 s HIS 28 N -0.46 0.02 0.51 4.41 3.76 -1.26 -5.08 115.29 117.20 1yi2 s HIS 28 Ca 0.00 -0.27 -0.22 0.00 -0.15 0.00 0.00 55.06 54.42 1yi2 s HIS 28 Cb 0.00 0.01 -0.06 0.00 1.11 0.00 0.00 32.58 33.64 1yi2 s HIS 28 CO 0.00 -0.49 1.24 0.08 -0.85 0.00 0.00 174.74 174.72 1yi2 s VAL 29 N -2.93 2.68 0.00 -0.90 1.01 -1.26 -2.66 120.40 116.35 1yi2 s VAL 29 Ca -0.02 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1yi2 s VAL 29 Cb 0.01 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1yi2 s VAL 29 CO -0.06 -0.03 0.00 0.59 0.00 0.00 0.00 175.10 175.61 1yi2 n ASN 30 N -0.89 -3.44 -4.82 3.32 3.02 0.55 -4.99 115.26 108.00 1yi2 n ASN 30 Ca 0.10 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.26 1yi2 n ASN 30 Cb 0.47 -1.49 -0.06 0.00 -0.61 0.00 0.00 39.78 38.09 1yi2 n ASN 30 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1yi2 s HIS 31 N -1.84 3.75 0.10 3.10 3.76 -1.09 -2.44 115.29 120.64 1yi2 s HIS 31 Ca 0.00 1.12 0.09 0.00 -0.15 0.00 0.00 55.06 56.12 1yi2 s HIS 31 Cb 0.00 -2.41 -0.04 0.00 1.11 0.00 0.00 32.58 31.25 1yi2 s HIS 31 CO 0.00 0.59 -0.19 0.00 -0.85 0.00 0.00 174.74 174.29 1yi2 s THR 33 N -1.07 0.29 -0.35 0.00 -1.32 0.16 0.55 115.64 113.90 1yi2 s THR 33 Ca 0.17 -1.48 -0.05 0.00 -1.21 0.00 0.00 61.69 59.12 1yi2 s THR 33 Cb -0.10 -1.06 0.06 0.00 -1.51 0.00 0.00 72.50 69.88 1yi2 s THR 33 CO 0.08 -0.76 0.12 -0.76 -2.21 0.00 0.00 174.62 171.09 1yi2 s LEU 34 N -2.35 4.50 -0.15 9.08 1.43 -1.26 -0.05 118.68 129.88 1yi2 s LEU 34 Ca -0.01 -1.35 -0.03 0.00 -1.03 0.00 0.00 54.13 51.70 1yi2 s LEU 34 Cb 0.00 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1yi2 s LEU 34 CO -0.05 -0.38 -0.05 0.54 0.23 0.00 0.00 176.35 176.64 1yi2 s VAL 35 N 1.34 3.74 0.77 -1.59 0.11 0.02 -4.94 120.40 119.84 1yi2 s VAL 35 Ca -0.00 -0.41 -0.14 0.00 -2.93 0.00 0.00 61.98 58.50 1yi2 s VAL 35 Cb -0.21 -2.63 0.06 0.00 -1.53 0.00 0.00 36.38 32.07 1yi2 s VAL 35 CO 0.01 0.49 1.19 -2.84 -3.33 0.00 0.00 175.10 170.62 1yi2 s PRO 36 N 0.42 1.91 -0.61 1.54 0.02 -1.26 -0.92 135.00 136.10 1yi2 s PRO 36 Ca -0.05 1.69 -0.17 0.00 0.02 0.00 0.00 61.00 62.49 1yi2 s PRO 36 Cb -0.14 -1.81 0.13 0.00 0.02 0.00 0.00 34.50 32.69 1yi2 s PRO 36 CO 0.03 -1.99 0.66 -1.21 -0.33 0.00 0.00 177.00 174.16 1yi2 s GLU 37 N -4.11 3.10 0.37 5.54 2.02 -1.26 -4.75 118.70 119.61 1yi2 s GLU 37 Ca 0.72 -1.59 0.04 0.00 0.02 0.00 0.00 54.97 54.17 1yi2 s GLU 37 Cb -0.27 -4.32 -0.03 0.00 0.10 0.00 0.00 34.13 29.60 1yi2 s GLU 37 CO 0.48 -1.46 0.15 0.99 0.02 0.00 0.00 175.26 175.45 1yi2 s THR 38 N 2.07 0.49 0.03 3.63 2.01 -1.26 -4.92 115.64 117.68 1yi2 s THR 38 Ca 0.10 -2.00 -0.24 0.00 0.31 0.00 0.00 61.69 59.86 1yi2 s THR 38 Cb -0.24 -2.43 -0.17 0.00 0.01 0.00 0.00 72.50 69.67 1yi2 s THR 38 CO 0.03 0.00 1.43 0.44 -0.69 0.00 0.00 174.62 175.83 1yi2 h ASP 39 N 1.95 0.09 -0.37 3.53 3.32 -1.99 -0.20 116.42 122.76 1yi2 h ASP 39 Ca -0.34 -0.34 0.05 0.00 0.02 0.00 0.00 57.03 56.42 1yi2 h ASP 39 Cb 1.26 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 1yi2 h ASP 39 CO 0.54 0.41 0.10 0.00 -1.72 0.00 0.00 179.24 178.57 1yi2 h ALA 40 N 0.68 0.41 0.00 3.45 0.00 -1.98 -1.47 119.26 120.36 1yi2 h ALA 40 Ca 0.01 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1yi2 h ALA 40 Cb 0.37 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1yi2 h ALA 40 CO 0.00 -0.30 -0.53 1.88 0.00 0.00 0.00 179.25 180.31 1yi2 h TYR 41 N 0.24 0.00 -0.42 0.00 0.99 -1.84 -3.05 116.97 112.88 1yi2 h TYR 41 Ca 0.17 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.85 1yi2 h TYR 41 Cb 0.18 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.89 1yi2 h TYR 41 CO -0.17 0.53 0.06 -0.09 -0.00 0.00 0.00 178.16 178.49 1yi2 h ARG 42 N 0.00 0.71 -0.82 4.88 2.43 -0.32 -2.20 114.38 119.05 1yi2 h ARG 42 Ca -0.01 -0.19 0.05 0.00 -0.81 0.00 0.00 59.98 59.02 1yi2 h ARG 42 Cb 0.97 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.39 1yi2 h ARG 42 CO 0.07 0.75 0.51 0.78 -1.51 0.00 0.00 179.97 180.57 1yi2 h GLY 43 N 0.56 1.21 0.88 2.80 0.00 -1.20 -1.54 103.07 105.78 1yi2 h GLY 43 Ca 0.13 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1yi2 h GLY 43 CO 0.01 0.29 0.07 -0.33 0.00 0.00 0.00 176.54 176.57 1yi2 h MET 44 N 0.96 0.37 0.00 4.80 2.86 -1.39 -2.58 114.93 119.95 1yi2 h MET 44 Ca 0.35 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.86 1yi2 h MET 44 Cb 0.10 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1yi2 h MET 44 CO -0.15 0.46 -0.20 -0.39 1.06 0.00 0.00 176.91 177.69 1yi2 h VAL 45 N 0.21 0.46 -0.30 -2.22 -1.51 -1.19 -2.05 116.25 109.66 1yi2 h VAL 45 Ca 0.07 -1.14 -0.10 0.00 -1.23 0.00 0.00 66.70 64.31 1yi2 h VAL 45 Cb 0.25 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.21 1yi2 h VAL 45 CO -0.00 0.20 -0.22 0.00 -1.23 0.00 0.00 177.57 176.32 1yi2 h ALA 46 N 1.80 1.06 0.00 5.19 0.00 -1.12 0.19 119.26 126.37 1yi2 h ALA 46 Ca -0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 1yi2 h ALA 46 Cb 0.80 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1yi2 h ALA 46 CO 0.03 0.57 -0.63 -0.22 0.00 0.00 0.00 179.25 178.99 1yi2 h LYS 47 N 0.50 0.00 -0.00 0.00 3.64 -1.02 -3.09 116.57 116.60 1yi2 h LYS 47 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1yi2 h LYS 47 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1yi2 h LYS 47 CO 0.05 0.63 -0.61 0.28 -2.27 0.00 0.00 179.45 177.53 1yi2 n VAL 48 N -3.71 0.00 -0.55 2.00 0.31 -0.82 -4.63 118.33 110.93 1yi2 n VAL 48 Ca -0.01 -0.08 0.43 0.00 -0.01 0.00 0.00 64.34 64.67 1yi2 n VAL 48 Cb 0.64 0.72 0.66 0.00 -0.91 0.00 0.00 33.84 34.95 1yi2 n VAL 48 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1yi2 n ASN 49 N -1.04 0.00 -0.39 4.52 2.85 0.62 -1.07 115.26 120.75 1yi2 n ASN 49 Ca 0.07 0.82 0.12 0.00 -0.11 0.00 0.00 54.58 55.48 1yi2 n ASN 49 Cb 0.36 -0.40 0.19 0.00 1.24 0.00 0.00 39.78 41.18 1yi2 n ASN 49 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1yi2 n ASP 50 N -3.54 1.57 -0.11 1.20 8.00 -1.26 -3.04 116.55 119.37 1yi2 n ASP 50 Ca 0.36 -1.24 0.05 0.00 0.71 0.00 0.00 54.79 54.67 1yi2 n ASP 50 Cb 1.68 0.30 0.07 0.00 -0.02 0.00 0.00 41.12 43.15 1yi2 n ASP 50 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1yi2 n PHE 51 N -0.28 0.00 -4.18 1.24 3.01 -0.23 -4.92 117.46 112.09 1yi2 n PHE 51 Ca 0.11 -0.65 -0.14 0.00 1.01 0.00 0.00 57.45 57.78 1yi2 n PHE 51 Cb 0.41 -0.10 -0.08 0.00 -0.01 0.00 0.00 39.48 39.70 1yi2 n PHE 51 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1yi2 s VAL 52 N -1.77 0.00 -0.06 -4.37 0.11 -1.18 -1.73 120.40 111.39 1yi2 s VAL 52 Ca 0.17 -1.89 0.01 0.00 -2.93 0.00 0.00 61.98 57.34 1yi2 s VAL 52 Cb 0.15 -2.48 0.02 0.00 -1.53 0.00 0.00 36.38 32.54 1yi2 s VAL 52 CO 0.02 0.00 -0.06 0.00 -3.33 0.00 0.00 175.10 171.73 1yi2 s ALA 53 N -3.88 0.89 0.10 1.54 0.00 0.58 -1.11 121.76 119.88 1yi2 s ALA 53 Ca 0.36 -0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.02 1yi2 s ALA 53 Cb 0.04 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.61 1yi2 s ALA 53 CO 0.16 -0.09 0.22 -0.59 0.00 0.00 0.00 175.76 175.46 1yi2 s PHE 54 N 1.08 0.12 0.00 0.00 -0.12 -1.00 -0.57 117.98 117.49 1yi2 s PHE 54 Ca -0.08 -0.54 0.00 0.00 -0.05 0.00 0.00 56.93 56.26 1yi2 s PHE 54 Cb -0.14 -0.02 0.00 0.00 -0.63 0.00 0.00 43.02 42.23 1yi2 s PHE 54 CO -0.01 -0.57 0.00 0.41 -0.05 0.00 0.00 175.22 175.00 1yi2 n GLY 55 N -0.09 0.84 3.60 1.99 0.00 -1.13 0.39 105.19 110.80 1yi2 n GLY 55 Ca -0.15 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1yi2 n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yi2 s GLU 56 N -2.00 3.89 0.73 1.61 2.12 -1.26 0.75 118.70 124.54 1yi2 s GLU 56 Ca 0.00 0.45 -0.11 0.00 0.36 0.00 0.00 54.97 55.67 1yi2 s GLU 56 Cb 0.00 -3.75 0.03 0.00 0.26 0.00 0.00 34.13 30.67 1yi2 s GLU 56 CO 0.00 -0.71 1.09 -1.25 -0.54 0.00 0.00 175.26 173.85 1yi2 s PRO 57 N 2.92 2.69 0.32 4.30 0.04 -1.26 -4.16 135.00 139.86 1yi2 s PRO 57 Ca 0.31 0.59 -0.15 0.00 0.04 0.00 0.00 61.00 61.78 1yi2 s PRO 57 Cb -0.14 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1yi2 s PRO 57 CO 0.14 -1.19 0.74 -1.54 0.04 0.00 0.00 177.00 175.19 1yi2 s SER 58 N -4.15 6.78 0.25 6.66 1.04 -1.26 -4.88 113.70 118.14 1yi2 s SER 58 Ca 0.59 1.29 -0.11 0.00 0.48 0.00 0.00 55.95 58.19 1yi2 s SER 58 Cb -0.12 -2.38 0.35 0.00 0.10 0.00 0.00 66.02 63.97 1yi2 s SER 58 CO 0.53 -0.21 1.58 -0.61 0.98 0.00 0.00 173.24 175.51 1yi2 h GLN 59 N 2.25 -0.01 0.55 4.02 5.75 -1.97 0.01 115.11 125.70 1yi2 h GLN 59 Ca -0.48 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.00 1yi2 h GLN 59 Cb 1.17 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.72 1yi2 h GLN 59 CO 0.65 -0.01 -0.38 0.93 -2.65 0.00 0.00 178.83 177.38 1yi2 h GLU 60 N -0.01 -0.85 -0.75 1.69 5.08 -1.99 -1.72 114.58 116.03 1yi2 h GLU 60 Ca 0.40 0.06 0.17 0.00 -1.00 0.00 0.00 59.36 58.99 1yi2 h GLU 60 Cb 0.62 0.19 -0.13 0.00 0.50 0.00 0.00 28.75 29.93 1yi2 h GLU 60 CO -0.88 -0.56 -0.01 1.15 -1.00 0.00 0.00 179.01 177.70 1yi2 h THR 61 N -0.88 0.33 -0.89 1.13 2.02 -1.76 0.45 112.91 113.31 1yi2 h THR 61 Ca -0.07 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.12 1yi2 h THR 61 Cb 0.72 0.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 1yi2 h THR 61 CO 0.05 0.02 0.57 0.25 0.37 0.00 0.00 175.52 176.77 1yi2 h LEU 62 N 0.09 0.92 -0.67 2.58 5.85 -0.86 -1.32 115.31 121.90 1yi2 h LEU 62 Ca 0.41 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.08 1yi2 h LEU 62 Cb 0.71 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1yi2 h LEU 62 CO -0.67 0.61 0.23 -0.33 -0.34 0.00 0.00 178.44 177.94 1yi2 h GLU 63 N 1.07 1.03 -0.73 1.25 5.08 0.73 0.80 114.58 123.81 1yi2 h GLU 63 Ca 0.37 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1yi2 h GLU 63 Cb 0.08 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1yi2 h GLU 63 CO -0.14 0.89 0.41 1.15 -1.00 0.00 0.00 179.01 180.31 1yi2 h THR 64 N 0.97 1.22 -0.19 1.13 2.02 -0.15 -1.21 112.91 116.70 1yi2 h THR 64 Ca 0.22 -0.54 -0.21 0.00 0.77 0.00 0.00 66.41 66.65 1yi2 h THR 64 Cb 0.27 0.25 0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1yi2 h THR 64 CO -0.01 0.24 -0.70 0.58 0.37 0.00 0.00 175.52 176.00 1yi2 h VAL 65 N 1.00 1.28 -0.22 3.16 2.07 -1.01 -1.14 116.25 121.40 1yi2 h VAL 65 Ca 0.26 -1.91 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 1yi2 h VAL 65 Cb 0.02 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1yi2 h VAL 65 CO -0.04 0.61 0.10 -0.07 0.02 0.00 0.00 177.57 178.18 1yi2 h LEU 66 N 0.56 0.30 -0.00 2.57 3.38 -0.65 0.85 115.31 122.31 1yi2 h LEU 66 Ca -0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1yi2 h LEU 66 Cb 1.32 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1yi2 h LEU 66 CO 0.14 0.36 0.00 0.00 0.09 0.00 0.00 178.44 179.04 1yi2 h ALA 67 N 0.95 0.00 -0.26 1.53 0.00 -1.24 -1.14 119.26 119.10 1yi2 h ALA 67 Ca 0.08 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1yi2 h ALA 67 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1yi2 h ALA 67 CO -0.01 -0.45 -0.57 0.00 0.00 0.00 0.00 179.25 178.21 1yi2 h THR 68 N -0.09 1.28 0.00 0.00 1.03 -1.03 -3.40 112.91 110.71 1yi2 h THR 68 Ca 0.00 -1.77 0.00 0.00 -0.01 0.00 0.00 66.41 64.63 1yi2 h THR 68 Cb 0.09 1.69 0.00 0.00 -1.07 0.00 0.00 68.15 68.86 1yi2 h THR 68 CO -0.00 0.57 -0.03 0.54 -0.01 0.00 0.00 175.52 176.59 1yi2 n ARG 69 N -3.99 1.97 -2.62 0.00 5.12 0.29 -5.05 116.66 112.38 1yi2 n ARG 69 Ca -0.04 -1.48 -0.31 0.00 -1.93 0.00 0.00 57.85 54.09 1yi2 n ARG 69 Cb 0.64 -0.97 -0.03 0.00 -1.16 0.00 0.00 32.46 30.94 1yi2 n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1yi2 s ALA 70 N -1.09 3.23 0.06 7.54 0.00 -0.43 -3.98 121.76 127.09 1yi2 s ALA 70 Ca 0.06 -0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.89 1yi2 s ALA 70 Cb 0.05 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 1yi2 s ALA 70 CO 0.01 -0.15 0.13 -1.21 0.00 0.00 0.00 175.76 174.54 1yi2 s GLU 71 N -4.04 0.70 1.07 0.00 2.02 -1.26 -4.23 118.70 112.96 1yi2 s GLU 71 Ca 0.54 -0.85 -0.16 0.00 0.02 0.00 0.00 54.97 54.52 1yi2 s GLU 71 Cb -0.10 0.28 0.23 0.00 0.10 0.00 0.00 34.13 34.63 1yi2 s GLU 71 CO 0.33 -0.19 1.14 -2.14 0.02 0.00 0.00 175.26 174.42 1yi2 s PRO 72 N -3.17 -0.18 0.61 0.39 0.02 -1.26 -0.41 135.00 130.99 1yi2 s PRO 72 Ca -0.00 0.08 0.36 0.00 0.02 0.00 0.00 61.00 61.46 1yi2 s PRO 72 Cb 0.02 -1.70 1.96 0.00 0.02 0.00 0.00 34.50 34.79 1yi2 s PRO 72 CO -0.07 -3.05 2.24 -0.07 -0.33 0.00 0.00 177.00 175.71 1yi2 h LEU 73 N -2.11 0.00 -7.25 -5.54 4.07 -1.39 -3.19 115.31 99.91 1yi2 h LEU 73 Ca -0.48 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.38 1yi2 h LEU 73 Cb 1.30 0.00 -0.22 0.00 1.08 0.00 0.00 40.66 42.82 1yi2 h LEU 73 CO 0.45 0.03 -0.12 -1.61 -1.08 0.00 0.00 178.44 176.11 1yi2 s GLU 74 N -4.21 0.64 0.00 1.13 2.02 -1.26 -4.84 118.70 112.18 1yi2 s GLU 74 Ca -0.04 0.52 0.00 0.00 0.02 0.00 0.00 54.97 55.48 1yi2 s GLU 74 Cb 0.13 0.30 0.00 0.00 0.10 0.00 0.00 34.13 34.66 1yi2 s GLU 74 CO 0.50 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 176.08 1yi2 n GLY 75 N 2.42 0.83 0.11 -1.39 0.00 -1.26 -4.78 105.19 101.12 1yi2 n GLY 75 Ca -0.15 -1.92 -0.01 0.00 0.00 0.00 0.00 46.02 43.94 1yi2 n GLY 75 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yi2 h ASP 76 N 0.00 0.00 0.00 1.61 3.32 -2.01 -3.39 116.42 115.95 1yi2 h ASP 76 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1yi2 h ASP 76 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1yi2 h ASP 76 CO 0.00 0.69 0.00 0.00 -1.72 0.00 0.00 179.24 178.21 1yi2 n ALA 77 N -2.31 -0.12 -2.22 3.45 0.00 -1.26 -4.81 120.51 113.24 1yi2 n ALA 77 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1yi2 n ALA 77 Cb 0.83 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.25 1yi2 n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yi2 s ASP 78 N 0.00 7.11 -0.85 0.00 -0.00 -1.26 -4.40 116.67 117.27 1yi2 s ASP 78 Ca 0.00 2.11 -0.18 0.00 -0.00 0.00 0.00 52.55 54.48 1yi2 s ASP 78 Cb 0.00 -2.59 0.14 0.00 -0.00 0.00 0.00 42.92 40.47 1yi2 s ASP 78 CO 0.00 -0.39 1.00 -0.69 -0.00 0.00 0.00 175.17 175.09 1yi2 s VAL 79 N 0.42 4.87 0.53 -1.27 1.01 -1.26 -4.72 120.40 119.99 1yi2 s VAL 79 Ca 0.55 -1.59 0.04 0.00 0.00 0.00 0.00 61.98 60.98 1yi2 s VAL 79 Cb -0.31 -4.68 0.02 0.00 0.00 0.00 0.00 36.38 31.41 1yi2 s VAL 79 CO 0.33 -1.37 0.25 1.51 0.00 0.00 0.00 175.10 175.81 1yi2 s ASP 80 N 3.36 4.44 0.17 3.32 1.47 -1.26 -4.34 116.67 123.83 1yi2 s ASP 80 Ca 0.27 -1.39 -0.22 0.00 1.18 0.00 0.00 52.55 52.39 1yi2 s ASP 80 Cb -0.09 0.43 0.08 0.00 -0.34 0.00 0.00 42.92 43.01 1yi2 s ASP 80 CO -0.06 -1.00 1.60 0.44 0.68 0.00 0.00 175.17 176.83 1yi2 h ASP 81 N 0.99 -1.03 -0.62 2.11 3.32 -1.93 0.20 116.42 119.46 1yi2 h ASP 81 Ca -0.40 0.19 0.08 0.00 0.02 0.00 0.00 57.03 56.92 1yi2 h ASP 81 Cb 1.31 0.50 -0.06 0.00 0.22 0.00 0.00 39.33 41.29 1yi2 h ASP 81 CO 0.64 -0.30 0.29 -0.08 -1.72 0.00 0.00 179.24 178.07 1yi2 h GLU 82 N -0.21 0.51 0.37 3.56 4.81 -1.96 0.40 114.58 122.06 1yi2 h GLU 82 Ca 0.19 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1yi2 h GLU 82 Cb 0.53 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1yi2 h GLU 82 CO -0.56 0.34 -0.23 2.35 -0.73 0.00 0.00 179.01 180.18 1yi2 h TRP 83 N 0.53 -0.60 -0.40 0.92 7.01 -1.43 0.18 115.95 122.15 1yi2 h TRP 83 Ca 0.30 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.38 1yi2 h TRP 83 Cb 0.29 0.22 -0.09 0.00 -2.10 0.00 0.00 29.16 27.48 1yi2 h TRP 83 CO -0.12 -0.36 -0.25 0.28 -2.79 0.00 0.00 178.44 175.20 1yi2 h VAL 84 N -0.58 0.33 0.28 2.65 2.07 0.08 -0.63 116.25 120.46 1yi2 h VAL 84 Ca -0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1yi2 h VAL 84 Cb 0.48 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1yi2 h VAL 84 CO 0.04 0.00 -0.37 0.00 0.02 0.00 0.00 177.57 177.26 1yi2 h ALA 85 N 0.99 -0.74 0.00 1.67 0.00 0.24 0.60 119.26 122.01 1yi2 h ALA 85 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1yi2 h ALA 85 Cb 0.48 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1yi2 h ALA 85 CO -0.51 -0.97 0.00 0.39 0.00 0.00 0.00 179.25 178.17 1yi2 n GLU 86 N -5.46 0.40 0.00 0.00 1.02 0.57 -3.93 120.64 113.24 1yi2 n GLU 86 Ca -0.09 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1yi2 n GLU 86 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1yi2 n GLU 86 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1yi2 n HIS 87 N -1.16 0.00 -3.91 -0.32 8.25 -0.28 -5.06 115.22 112.74 1yi2 n HIS 87 Ca 0.11 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.30 1yi2 n HIS 87 Cb 0.11 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.21 1yi2 n HIS 87 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1yi2 s THR 88 N -1.07 1.58 -1.73 1.59 2.01 0.21 -4.89 115.64 113.33 1yi2 s THR 88 Ca 0.00 -1.50 0.05 0.00 0.31 0.00 0.00 61.69 60.55 1yi2 s THR 88 Cb 0.00 -2.08 0.18 0.00 0.01 0.00 0.00 72.50 70.61 1yi2 s THR 88 CO 0.00 0.00 1.07 0.47 -0.69 0.00 0.00 174.62 175.47 1yi2 n ASP 89 N -1.78 1.31 -4.66 3.53 8.00 -1.26 -4.82 116.55 116.88 1yi2 n ASP 89 Ca -0.02 -2.06 -0.30 0.00 0.71 0.00 0.00 54.79 53.12 1yi2 n ASP 89 Cb 0.64 -0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 41.42 1yi2 n ASP 89 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1yi2 s TYR 90 N -1.68 2.25 -0.12 1.24 1.51 -1.26 -5.06 117.35 114.22 1yi2 s TYR 90 Ca 0.13 -0.79 0.19 0.00 -1.01 0.00 0.00 57.07 55.59 1yi2 s TYR 90 Cb 0.08 -1.69 -0.22 0.00 -0.11 0.00 0.00 41.96 40.01 1yi2 s TYR 90 CO 0.08 0.34 0.50 -0.25 -1.11 0.00 0.00 175.55 175.12 1yi2 n ASP 91 N -1.08 0.36 -3.40 2.29 8.00 -1.26 -3.98 116.55 117.48 1yi2 n ASP 91 Ca -0.10 0.15 -0.06 0.00 0.71 0.00 0.00 54.79 55.49 1yi2 n ASP 91 Cb 0.67 0.95 0.01 0.00 -0.02 0.00 0.00 41.12 42.72 1yi2 n ASP 91 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1yi2 s ASP 92 N -5.32 -0.08 0.23 -2.24 -4.77 -1.26 -4.06 116.67 99.16 1yi2 s ASP 92 Ca -0.06 -0.76 -0.07 0.00 -3.30 0.00 0.00 52.55 48.35 1yi2 s ASP 92 Cb 0.09 0.66 0.38 0.00 -1.09 0.00 0.00 42.92 42.96 1yi2 s ASP 92 CO 0.84 -1.28 1.71 0.40 0.70 0.00 0.00 175.17 177.55 1yi2 h ILE 93 N 2.00 0.61 -0.84 2.11 2.04 -1.86 -0.15 117.51 121.42 1yi2 h ILE 93 Ca -0.27 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.55 1yi2 h ILE 93 Cb 1.24 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 1yi2 h ILE 93 CO 0.33 0.06 0.55 0.28 0.00 0.00 0.00 178.15 179.37 1yi2 h SER 94 N 0.32 0.82 -0.44 1.72 0.02 -1.96 0.58 113.55 114.60 1yi2 h SER 94 Ca 0.37 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.20 1yi2 h SER 94 Cb 0.57 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1yi2 h SER 94 CO -0.43 0.52 -0.18 1.23 -1.14 0.00 0.00 176.83 176.83 1yi2 h GLY 95 N 0.93 1.02 0.65 -3.77 0.00 -1.46 -1.00 103.07 99.44 1yi2 h GLY 95 Ca 0.37 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1yi2 h GLY 95 CO -0.13 0.79 -0.17 -2.00 0.00 0.00 0.00 176.54 175.03 1yi2 h LEU 96 N 0.82 -0.41 -0.52 3.11 5.85 -0.25 -2.74 115.31 121.18 1yi2 h LEU 96 Ca 0.12 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.79 1yi2 h LEU 96 Cb 0.74 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.77 1yi2 h LEU 96 CO 0.06 -0.03 -0.22 0.00 -0.34 0.00 0.00 178.44 177.91 1yi2 h ALA 97 N -0.37 0.16 -0.78 1.25 0.00 0.14 -0.00 119.26 119.65 1yi2 h ALA 97 Ca -0.05 0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1yi2 h ALA 97 Cb 0.53 0.55 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1yi2 h ALA 97 CO 0.08 -0.55 0.40 0.35 0.00 0.00 0.00 179.25 179.53 1yi2 h PHE 98 N -0.10 0.71 -0.72 0.00 3.57 -1.18 -1.40 116.94 117.82 1yi2 h PHE 98 Ca 0.24 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 1yi2 h PHE 98 Cb 0.47 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1yi2 h PHE 98 CO -0.51 0.22 0.31 0.00 -2.23 0.00 0.00 178.31 176.10 1yi2 h ALA 99 N 1.49 1.19 0.54 2.41 0.00 -0.71 -1.05 119.26 123.13 1yi2 h ALA 99 Ca 0.40 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1yi2 h ALA 99 Cb 0.48 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1yi2 h ALA 99 CO -0.31 0.60 -0.26 -0.07 0.00 0.00 0.00 179.25 179.21 1yi2 h LEU 100 N 1.03 -0.61 -1.26 0.00 3.38 -0.44 0.16 115.31 117.58 1yi2 h LEU 100 Ca 0.24 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.27 1yi2 h LEU 100 Cb 0.16 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1yi2 h LEU 100 CO -0.03 -0.34 0.55 -0.07 0.09 0.00 0.00 178.44 178.64 1yi2 h LEU 101 N -0.86 0.76 -0.31 1.67 3.38 -1.32 0.40 115.31 119.03 1yi2 h LEU 101 Ca -0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1yi2 h LEU 101 Cb 0.61 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1yi2 h LEU 101 CO 0.12 0.46 0.00 -1.54 0.09 0.00 0.00 178.44 177.57 1yi2 n SER 102 N -4.51 0.46 -3.84 -0.43 3.41 -0.40 -4.32 113.62 103.99 1yi2 n SER 102 Ca 0.14 -1.47 -0.25 0.00 -0.26 0.00 0.00 58.87 57.02 1yi2 n SER 102 Cb 0.28 -0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.22 1yi2 n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1yi2 n GLU 103 N -0.49 -4.50 -0.00 4.33 1.02 0.14 -4.89 120.64 116.25 1yi2 n GLU 103 Ca 0.15 0.54 0.11 0.00 -0.02 0.00 0.00 57.16 57.94 1yi2 n GLU 103 Cb 0.14 -5.06 -0.14 0.00 -0.02 0.00 0.00 31.44 26.36 1yi2 n GLU 103 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1yi2 n GLU 104 N -4.40 0.52 -2.92 3.49 4.07 0.45 -5.02 120.64 116.83 1yi2 n GLU 104 Ca -0.21 -0.14 -0.06 0.00 -0.06 0.00 0.00 57.16 56.68 1yi2 n GLU 104 Cb 0.64 -1.53 0.02 0.00 -0.06 0.00 0.00 31.44 30.50 1yi2 n GLU 104 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1yi2 n THR 105 N -2.13 0.00 -4.12 6.31 5.66 -1.24 -5.04 114.28 113.72 1yi2 n THR 105 Ca -0.02 -0.71 -0.08 0.00 -3.05 0.00 0.00 64.05 60.18 1yi2 n THR 105 Cb 0.52 0.68 -0.10 0.00 -1.55 0.00 0.00 70.33 69.88 1yi2 n THR 105 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1yi2 s THR 106 N -2.40 0.38 0.54 1.09 -4.23 -1.26 -4.57 115.64 105.18 1yi2 s THR 106 Ca 0.11 -1.86 0.28 0.00 -1.18 0.00 0.00 61.69 59.05 1yi2 s THR 106 Cb -0.03 -1.61 0.43 0.00 1.34 0.00 0.00 72.50 72.63 1yi2 s THR 106 CO 0.09 -0.93 1.94 -0.07 -0.54 0.00 0.00 174.62 175.11 1yi2 h LEU 107 N 3.07 0.00 0.22 4.79 3.38 -1.90 -2.38 115.31 122.49 1yi2 h LEU 107 Ca -0.35 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1yi2 h LEU 107 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1yi2 h LEU 107 CO 0.65 0.00 -0.11 0.03 0.09 0.00 0.00 178.44 179.10 1yi2 h ARG 108 N 0.00 -0.29 -0.40 1.13 3.08 -1.85 0.79 114.38 116.84 1yi2 h ARG 108 Ca 0.32 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.50 1yi2 h ARG 108 Cb 1.32 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.42 1yi2 h ARG 108 CO -0.00 0.09 0.57 0.93 -1.07 0.00 0.00 179.97 180.48 1yi2 h GLU 109 N -0.86 0.00 -0.50 0.04 5.08 -1.75 0.63 114.58 117.21 1yi2 h GLU 109 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1yi2 h GLU 109 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1yi2 h GLU 109 CO 0.05 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.10 1yi2 n GLN 110 N -3.41 2.53 -1.40 2.33 1.13 -1.12 -4.94 117.38 112.50 1yi2 n GLN 110 Ca 0.08 -2.34 -0.00 0.00 -1.94 0.00 0.00 57.00 52.79 1yi2 n GLN 110 Cb 0.73 -1.52 -0.00 0.00 0.11 0.00 0.00 30.24 29.56 1yi2 n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1yi2 n GLY 111 N 1.54 0.38 3.58 1.08 0.00 0.22 -4.66 105.19 107.33 1yi2 n GLY 111 Ca 0.21 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 1yi2 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yi2 s LEU 112 N -0.03 3.10 0.33 0.99 1.43 0.27 -1.13 118.68 123.64 1yi2 s LEU 112 Ca 0.00 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 1yi2 s LEU 112 Cb 0.00 -1.81 -0.11 0.00 0.03 0.00 0.00 46.19 44.30 1yi2 s LEU 112 CO 0.00 0.25 1.55 -0.24 0.23 0.00 0.00 176.35 178.15 1yi2 n SER 113 N 1.35 3.87 0.02 2.29 2.88 0.45 -3.13 113.62 121.36 1yi2 n SER 113 Ca -0.15 1.19 0.05 0.00 -1.33 0.00 0.00 58.87 58.63 1yi2 n SER 113 Cb 0.52 -1.61 0.24 0.00 -0.75 0.00 0.00 64.21 62.62 1yi2 n SER 113 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1yi2 n PRO 114 N 1.35 0.03 -4.66 -1.46 -0.02 -1.26 -4.69 135.00 124.28 1yi2 n PRO 114 Ca 0.05 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.56 1yi2 n PRO 114 Cb 0.38 -1.56 -0.12 0.00 -0.02 0.00 0.00 33.50 32.17 1yi2 n PRO 114 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1yi2 s THR 115 N -3.06 3.51 -0.43 3.45 2.01 -1.26 -4.40 115.64 115.46 1yi2 s THR 115 Ca 0.04 -0.53 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 1yi2 s THR 115 Cb 0.06 -2.45 0.06 0.00 0.01 0.00 0.00 72.50 70.19 1yi2 s THR 115 CO 0.19 0.57 0.29 -0.76 -0.69 0.00 0.00 174.62 174.22 1yi2 s LEU 116 N -0.42 5.21 -1.04 4.42 1.43 0.19 -4.72 118.68 123.75 1yi2 s LEU 116 Ca 0.06 -1.29 -0.21 0.00 -1.03 0.00 0.00 54.13 51.65 1yi2 s LEU 116 Cb -0.12 -2.07 0.07 0.00 0.03 0.00 0.00 46.19 44.10 1yi2 s LEU 116 CO 0.02 -0.53 1.42 -0.13 0.23 0.00 0.00 176.35 177.35 1yi2 s ARG 117 N 1.54 3.65 1.00 1.70 0.52 -1.26 -0.10 118.95 126.00 1yi2 s ARG 117 Ca 0.03 -1.38 -0.14 0.00 -0.52 0.00 0.00 55.73 53.72 1yi2 s ARG 117 Cb -0.22 -5.28 0.19 0.00 0.52 0.00 0.00 34.95 30.15 1yi2 s ARG 117 CO 0.05 -2.12 1.13 -0.51 0.02 0.00 0.00 175.30 173.87 1yi2 s LEU 118 N 4.35 1.66 0.25 2.53 1.43 -1.02 -4.95 118.68 122.93 1yi2 s LEU 118 Ca 0.44 0.96 0.04 0.00 -1.03 0.00 0.00 54.13 54.54 1yi2 s LEU 118 Cb -0.01 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 1yi2 s LEU 118 CO -0.08 -3.04 0.39 -2.28 0.23 0.00 0.00 176.35 171.56 1yi2 s HIS 119 N -3.15 3.46 0.62 0.29 5.65 -0.93 -4.81 115.29 116.42 1yi2 s HIS 119 Ca 0.66 0.05 -0.19 0.00 0.25 0.00 0.00 55.06 55.83 1yi2 s HIS 119 Cb -0.15 -1.63 -0.03 0.00 -1.18 0.00 0.00 32.58 29.60 1yi2 s HIS 119 CO 0.55 0.39 1.19 -2.30 -0.65 0.00 0.00 174.74 173.93 1yi2 n PRO 120 N -1.42 1.10 -1.89 2.88 -0.02 -1.26 -4.50 135.00 129.89 1yi2 n PRO 120 Ca -0.08 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 1yi2 n PRO 120 Cb 0.57 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1yi2 n PRO 120 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1yi2 s PRO 121 N -3.11 3.99 0.07 0.52 0.04 -1.26 -4.51 135.00 130.73 1yi2 s PRO 121 Ca 0.79 2.20 -0.31 0.00 0.04 0.00 0.00 61.00 63.72 1yi2 s PRO 121 Cb -0.40 -4.09 -0.08 0.00 0.04 0.00 0.00 34.50 29.98 1yi2 s PRO 121 CO 0.43 -1.09 1.61 1.03 0.04 0.00 0.00 177.00 179.02 1yi2 s ARG 122 N 4.52 4.21 0.00 4.56 0.52 0.96 -0.49 118.95 133.23 1yi2 s ARG 122 Ca 0.80 2.29 0.00 0.00 -0.52 0.00 0.00 55.73 58.30 1yi2 s ARG 122 Cb -0.34 -3.56 0.00 0.00 0.52 0.00 0.00 34.95 31.57 1yi2 s ARG 122 CO 0.34 -0.70 0.00 0.41 0.02 0.00 0.00 175.30 175.36 1yi2 n GLY 123 N 3.93 1.10 0.17 -3.53 0.00 -1.26 -4.89 105.19 100.71 1yi2 n GLY 123 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 1yi2 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yi2 n GLY 124 N -2.00 -2.56 1.94 -0.02 0.00 0.36 -5.02 105.19 97.89 1yi2 n GLY 124 Ca 0.00 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 1yi2 n GLY 124 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1yi2 n HIS 125 N -2.37 -2.78 1.83 1.61 1.44 -1.26 -4.94 115.22 108.74 1yi2 n HIS 125 Ca -0.01 -1.01 0.11 0.00 -2.01 0.00 0.00 57.72 54.80 1yi2 n HIS 125 Cb 0.08 -0.30 0.58 0.00 0.12 0.00 0.00 29.99 30.47 1yi2 n HIS 125 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1yi2 n ASP 126 N -2.74 0.38 0.00 4.39 8.00 -1.26 -5.00 116.55 120.32 1yi2 n ASP 126 Ca 0.08 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 54.17 1yi2 n ASP 126 Cb 0.30 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1yi2 n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yi2 n GLY 127 N 0.90 2.81 2.04 0.44 0.00 -1.26 -4.24 105.19 105.88 1yi2 n GLY 127 Ca 0.16 -1.62 -0.26 0.00 0.00 0.00 0.00 46.02 44.30 1yi2 n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1yi2 n VAL 128 N 0.82 3.11 -0.06 1.61 0.24 -1.26 -1.20 118.33 121.59 1yi2 n VAL 128 Ca 0.00 -3.11 0.00 0.00 -2.04 0.00 0.00 64.34 59.19 1yi2 n VAL 128 Cb 0.00 -0.92 0.00 0.00 -1.47 0.00 0.00 33.84 31.45 1yi2 n VAL 128 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1yi2 n LYS 129 N -0.93 3.74 -4.02 7.34 5.02 -1.26 -5.02 118.16 123.03 1yi2 n LYS 129 Ca 0.53 -0.06 -0.09 0.00 -2.02 0.00 0.00 58.31 56.66 1yi2 n LYS 129 Cb 0.94 -0.43 -0.11 0.00 -0.02 0.00 0.00 35.03 35.41 1yi2 n LYS 129 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1yi2 s HIS 130 N -0.55 0.38 0.94 2.13 3.76 -1.26 -5.06 115.29 115.62 1yi2 s HIS 130 Ca 0.00 -0.65 -0.15 0.00 -0.15 0.00 0.00 55.06 54.11 1yi2 s HIS 130 Cb 0.00 -0.27 0.19 0.00 1.11 0.00 0.00 32.58 33.61 1yi2 s HIS 130 CO 0.00 -0.21 1.29 -1.25 -0.85 0.00 0.00 174.74 173.72 1yi2 s PRO 131 N -2.05 0.81 0.18 8.40 0.04 -1.26 -2.16 135.00 138.96 1yi2 s PRO 131 Ca -0.10 -0.41 -0.12 0.00 0.04 0.00 0.00 61.00 60.42 1yi2 s PRO 131 Cb -0.06 -1.88 0.10 0.00 0.04 0.00 0.00 34.50 32.70 1yi2 s PRO 131 CO -0.03 -2.29 1.80 0.28 0.04 0.00 0.00 177.00 176.79 1yi2 h VAL 132 N -1.53 1.20 0.00 -0.36 2.07 -1.41 0.62 116.25 116.85 1yi2 h VAL 132 Ca -0.44 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1yi2 h VAL 132 Cb 1.24 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1yi2 h VAL 132 CO 0.40 0.22 0.00 0.29 0.02 0.00 0.00 177.57 178.50 1yi2 n LYS 133 N -4.55 0.01 -0.07 1.57 5.02 -1.26 -1.31 118.16 117.57 1yi2 n LYS 133 Ca 0.05 0.40 0.03 0.00 -2.02 0.00 0.00 58.31 56.77 1yi2 n LYS 133 Cb 0.09 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.67 1yi2 n LYS 133 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1yi2 n GLU 134 N -1.48 2.03 -0.04 1.97 1.02 -0.83 -4.97 120.64 118.34 1yi2 n GLU 134 Ca 0.01 -1.53 0.00 0.00 -0.02 0.00 0.00 57.16 55.62 1yi2 n GLU 134 Cb 0.06 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1yi2 n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yi2 n GLY 135 N 0.14 0.41 0.00 0.62 0.00 -0.42 -4.87 105.19 101.06 1yi2 n GLY 135 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1yi2 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yi2 n GLY 136 N -2.00 -0.95 0.06 -0.02 0.00 0.21 -4.69 105.19 97.81 1yi2 n GLY 136 Ca 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 46.02 44.35 1yi2 n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1yi2 n GLN 137 N -0.83 0.69 -3.23 1.61 -0.06 -0.34 -3.80 117.38 111.43 1yi2 n GLN 137 Ca 0.00 -0.97 -0.32 0.00 -2.00 0.00 0.00 57.00 53.71 1yi2 n GLN 137 Cb 0.00 -1.03 -0.06 0.00 -4.06 0.00 0.00 30.24 25.10 1yi2 n GLN 137 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1yi2 s LEU 138 N -0.46 4.09 0.00 1.69 1.43 -1.02 -4.54 118.68 119.87 1yi2 s LEU 138 Ca 0.02 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 1yi2 s LEU 138 Cb 0.01 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.28 1yi2 s LEU 138 CO 0.02 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.04 1yi2 n GLY 139 N -0.30 -1.89 3.76 -3.19 0.00 -0.27 -1.64 105.19 101.67 1yi2 n GLY 139 Ca 0.03 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 1yi2 n GLY 139 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yi2 s LYS 140 N 0.00 3.68 0.36 1.61 2.20 -1.26 -2.37 119.74 123.96 1yi2 s LYS 140 Ca 0.00 2.06 0.04 0.00 -0.36 0.00 0.00 55.97 57.71 1yi2 s LYS 140 Cb 0.00 -2.51 -0.06 0.00 -1.51 0.00 0.00 37.83 33.75 1yi2 s LYS 140 CO 0.00 -0.70 0.06 -1.01 -0.36 0.00 0.00 175.35 173.34 1yi2 s HIS 141 N -1.36 2.00 0.70 4.03 3.76 0.16 -4.72 115.29 119.86 1yi2 s HIS 141 Ca 0.63 -0.97 -0.11 0.00 -0.15 0.00 0.00 55.06 54.45 1yi2 s HIS 141 Cb -0.36 -1.34 0.01 0.00 1.11 0.00 0.00 32.58 32.00 1yi2 s HIS 141 CO 0.44 0.03 1.09 -0.51 -0.85 0.00 0.00 174.74 174.93 1yi2 s ASP 142 N -3.55 5.45 0.32 1.40 1.01 -1.26 -4.60 116.67 115.43 1yi2 s ASP 142 Ca 0.33 1.21 0.03 0.00 0.71 0.00 0.00 52.55 54.83 1yi2 s ASP 142 Cb 0.08 -2.05 0.55 0.00 1.01 0.00 0.00 42.92 42.51 1yi2 s ASP 142 CO 0.15 -1.35 1.86 0.74 0.21 0.00 0.00 175.17 176.77 1yi2 h THR 143 N -0.66 1.21 -0.07 -1.27 2.02 -1.97 0.42 112.91 112.58 1yi2 h THR 143 Ca -0.45 -0.81 -0.19 0.00 0.77 0.00 0.00 66.41 65.72 1yi2 h THR 143 Cb 1.24 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1yi2 h THR 143 CO 0.63 0.28 -0.77 -0.08 0.37 0.00 0.00 175.52 175.95 1yi2 h GLU 144 N 0.56 0.45 -0.11 6.66 4.81 -1.92 -2.32 114.58 122.70 1yi2 h GLU 144 Ca 0.12 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1yi2 h GLU 144 Cb 0.34 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1yi2 h GLU 144 CO 0.01 1.02 0.05 0.78 -0.73 0.00 0.00 179.01 180.14 1yi2 h GLY 145 N 1.20 0.18 1.06 1.92 0.00 -1.48 -2.27 103.07 103.69 1yi2 h GLY 145 Ca -0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1yi2 h GLY 145 CO 0.14 0.09 0.16 -2.22 0.00 0.00 0.00 176.54 174.71 1yi2 h ILE 146 N 0.04 1.26 -0.66 2.60 1.08 -0.27 -2.93 117.51 118.63 1yi2 h ILE 146 Ca 0.04 -0.98 0.02 0.00 -0.39 0.00 0.00 64.86 63.54 1yi2 h ILE 146 Cb 0.15 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.41 1yi2 h ILE 146 CO -0.00 0.38 0.42 0.44 -0.69 0.00 0.00 178.15 178.70 1yi2 h ASP 147 N 1.07 0.71 -0.74 1.72 5.19 -1.31 0.28 116.42 123.34 1yi2 h ASP 147 Ca 0.22 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.63 1yi2 h ASP 147 Cb 0.38 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.69 1yi2 h ASP 147 CO 0.00 0.51 0.49 0.44 -3.12 0.00 0.00 179.24 177.56 1yi2 h ASP 148 N 0.85 0.84 0.36 6.45 3.32 -1.23 0.44 116.42 127.44 1yi2 h ASP 148 Ca 0.25 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1yi2 h ASP 148 Cb -0.04 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1yi2 h ASP 148 CO -0.08 0.60 -0.17 0.25 -1.72 0.00 0.00 179.24 178.12 1yi2 h LEU 149 N 0.99 -0.41 -1.34 1.55 5.85 -1.23 -0.97 115.31 119.75 1yi2 h LEU 149 Ca 0.28 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.94 1yi2 h LEU 149 Cb -0.09 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1yi2 h LEU 149 CO -0.07 -0.02 0.52 -0.07 -0.34 0.00 0.00 178.44 178.46 1yi2 h LEU 150 N -0.86 0.66 -0.36 2.25 3.38 -0.30 -0.81 115.31 119.27 1yi2 h LEU 150 Ca -0.05 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 1yi2 h LEU 150 Cb 0.53 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1yi2 h LEU 150 CO 0.08 0.39 -0.82 -0.33 0.09 0.00 0.00 178.44 177.85 1yi2 h GLU 151 N 0.73 0.10 0.00 1.13 5.08 -0.09 0.11 114.58 121.64 1yi2 h GLU 151 Ca 0.37 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1yi2 h GLU 151 Cb 0.46 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1yi2 h GLU 151 CO -0.14 0.86 0.00 0.00 -1.00 0.00 0.00 179.01 178.73 1yi2 h ALA 152 N 1.10 1.00 -0.02 3.43 0.00 -0.05 -2.33 119.26 122.39 1yi2 h ALA 152 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1yi2 h ALA 152 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1yi2 h ALA 152 CO 0.12 0.00 -0.01 -1.33 0.00 0.00 0.00 179.25 178.03 1yi2 n MET 153 N -3.04 1.49 0.00 0.00 2.81 -0.42 -0.03 117.12 117.94 1yi2 n MET 153 Ca 0.02 -1.56 0.00 0.00 -1.81 0.00 0.00 57.70 54.35 1yi2 n MET 153 Cb 0.39 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 1yi2 n MET 153 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35