#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ypg s VAL 17 N 0.00 5.40 -1.50 1.39 1.01 0.89 -4.01 120.40 123.57 1ypg s VAL 17 Ca 0.00 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.22 1ypg s VAL 17 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.90 1ypg s VAL 17 CO 0.00 0.49 0.72 -0.62 0.00 0.00 0.00 175.10 175.69 1ypg n GLU 18 N 2.99 -5.36 0.00 2.72 -0.58 -1.26 -2.53 120.64 116.62 1ypg n GLU 18 Ca -0.16 0.85 0.00 0.00 -0.42 0.00 0.00 57.16 57.43 1ypg n GLU 18 Cb 0.53 -5.74 0.00 0.00 -0.57 0.00 0.00 31.44 25.66 1ypg n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ypg n GLY 19 N -1.59 2.17 3.30 0.62 0.00 -1.26 -4.54 105.19 103.89 1ypg n GLY 19 Ca -0.08 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 43.87 1ypg n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ypg s SER 20 N -0.88 0.10 0.32 1.61 1.04 0.38 -4.89 113.70 111.38 1ypg s SER 20 Ca 0.00 -1.25 -0.29 0.00 0.48 0.00 0.00 55.95 54.89 1ypg s SER 20 Cb 0.00 0.43 -0.11 0.00 0.10 0.00 0.00 66.02 66.44 1ypg s SER 20 CO 0.00 -0.91 1.50 -1.81 0.98 0.00 0.00 173.24 173.00 1ypg s ASP 21 N -3.11 6.45 0.64 7.02 1.11 -1.26 -0.31 116.67 127.20 1ypg s ASP 21 Ca 0.33 2.92 -0.15 0.00 0.18 0.00 0.00 52.55 55.83 1ypg s ASP 21 Cb 0.05 -2.65 -0.01 0.00 1.07 0.00 0.00 42.92 41.38 1ypg s ASP 21 CO 0.10 -0.82 1.09 0.00 1.18 0.00 0.00 175.17 176.72 1ypg s ALA 22 N -0.57 2.57 0.49 5.23 0.00 0.21 -4.76 121.76 124.93 1ypg s ALA 22 Ca 0.57 0.47 -0.16 0.00 0.00 0.00 0.00 51.96 52.84 1ypg s ALA 22 Cb -0.46 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.31 1ypg s ALA 22 CO 0.54 -1.12 0.95 -1.21 0.00 0.00 0.00 175.76 174.91 1ypg s GLU 23 N -4.15 3.95 0.22 0.00 2.02 -1.26 -4.93 118.70 114.55 1ypg s GLU 23 Ca 0.65 0.89 -0.32 0.00 0.02 0.00 0.00 54.97 56.21 1ypg s GLU 23 Cb -0.19 -2.18 -0.12 0.00 0.10 0.00 0.00 34.13 31.74 1ypg s GLU 23 CO 0.41 -0.21 1.68 -0.89 0.02 0.00 0.00 175.26 176.27 1ypg n ILE 24 N -1.44 0.21 -1.05 -1.63 2.08 -1.26 -2.03 119.36 114.24 1ypg n ILE 24 Ca 0.06 -0.05 -0.02 0.00 0.56 0.00 0.00 62.75 63.30 1ypg n ILE 24 Cb 0.54 -1.93 -0.01 0.00 -0.75 0.00 0.00 39.64 37.49 1ypg n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ypg n GLY 25 N 3.54 0.42 0.21 7.39 0.00 -1.26 -4.90 105.19 110.58 1ypg n GLY 25 Ca 0.15 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1ypg n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ypg h MET 26 N 0.44 0.00 -1.94 1.61 -1.53 -1.79 -3.37 114.93 108.36 1ypg h MET 26 Ca -0.04 0.00 -0.49 0.00 -3.44 0.00 0.00 59.70 55.73 1ypg h MET 26 Cb 0.49 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 31.15 1ypg h MET 26 CO 0.05 0.29 -1.15 0.45 0.14 0.00 0.00 176.91 176.68 1ypg n SER 27 N -3.98 0.56 0.00 1.39 2.88 -1.26 -4.98 113.62 108.23 1ypg n SER 27 Ca -0.02 -2.95 0.09 0.00 -1.33 0.00 0.00 58.87 54.66 1ypg n SER 27 Cb 0.35 -0.55 0.47 0.00 -0.75 0.00 0.00 64.21 63.74 1ypg n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ypg n PRO 28 N 0.58 0.36 0.00 -1.46 -0.04 -1.26 -0.61 135.00 132.57 1ypg n PRO 28 Ca 0.23 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 1ypg n PRO 28 Cb 0.63 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.82 1ypg n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ypg n TRP 29 N -1.19 0.00 -1.88 0.54 2.14 -0.98 -1.52 117.44 114.54 1ypg n TRP 29 Ca 0.10 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.26 1ypg n TRP 29 Cb 0.11 -0.04 -0.02 0.00 -0.81 0.00 0.00 31.31 30.55 1ypg n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ypg s GLN 30 N -2.31 4.19 -0.03 -2.67 2.00 0.22 -1.26 119.66 119.80 1ypg s GLN 30 Ca 0.26 2.45 0.04 0.00 -2.00 0.00 0.00 55.36 56.10 1ypg s GLN 30 Cb 0.19 -3.08 -0.00 0.00 0.80 0.00 0.00 33.01 30.92 1ypg s GLN 30 CO 0.46 -0.56 -0.14 0.08 -0.50 0.00 0.00 175.29 174.64 1ypg s VAL 31 N 0.26 1.12 -0.30 1.34 1.01 0.17 -4.09 120.40 119.92 1ypg s VAL 31 Ca 0.64 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 1ypg s VAL 31 Cb -0.45 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1ypg s VAL 31 CO 0.42 0.33 0.21 -0.32 0.00 0.00 0.00 175.10 175.74 1ypg s MET 32 N 0.01 3.79 -0.29 2.72 1.75 -0.50 -1.46 119.30 125.32 1ypg s MET 32 Ca -0.01 -0.43 -0.27 0.00 -1.25 0.00 0.00 55.69 53.72 1ypg s MET 32 Cb -0.09 -3.71 0.01 0.00 2.84 0.00 0.00 34.83 33.88 1ypg s MET 32 CO 0.01 -0.27 0.96 -0.51 -0.65 0.00 0.00 175.02 174.56 1ypg s LEU 33 N 1.75 4.03 -0.16 4.11 1.02 -0.06 -1.19 118.68 128.17 1ypg s LEU 33 Ca 0.07 1.00 -0.01 0.00 0.02 0.00 0.00 54.13 55.21 1ypg s LEU 33 Cb -0.16 -3.37 -0.01 0.00 0.02 0.00 0.00 46.19 42.67 1ypg s LEU 33 CO 0.11 -0.72 -0.12 0.12 0.02 0.00 0.00 176.35 175.76 1ypg s PHE 34 N 3.27 2.84 0.27 0.29 5.36 -0.52 0.13 117.98 129.62 1ypg s PHE 34 Ca 0.40 -0.91 -0.29 0.00 -0.96 0.00 0.00 56.93 55.17 1ypg s PHE 34 Cb -0.14 -1.93 -0.09 0.00 -0.34 0.00 0.00 43.02 40.52 1ypg s PHE 34 CO 0.12 -0.42 1.09 0.50 -1.46 0.00 0.00 175.22 175.06 1ypg s ARG 35 N 0.83 4.65 0.00 10.12 3.52 0.28 -1.30 118.95 137.05 1ypg s ARG 35 Ca -0.04 1.79 0.00 0.00 -0.13 0.00 0.00 55.73 57.35 1ypg s ARG 35 Cb -0.15 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1ypg s ARG 35 CO 0.00 0.22 0.38 1.63 -0.81 0.00 0.00 175.30 176.72 1ypg n LYS 36 N 1.26 0.00 -4.03 5.12 5.02 -1.05 -2.49 118.16 121.99 1ypg n LYS 36 Ca -0.01 0.22 -0.31 0.00 -2.02 0.00 0.00 58.31 56.19 1ypg n LYS 36 Cb 0.45 -0.98 -0.16 0.00 -0.02 0.00 0.00 35.03 34.31 1ypg n LYS 36 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1ypg s SER 36 N -1.94 2.90 0.45 4.39 0.01 -1.26 -1.10 113.70 117.15 1ypg s SER 36 Ca 0.00 -0.59 -0.22 0.00 1.31 0.00 0.00 55.95 56.44 1ypg s SER 36 Cb 0.00 -1.24 -0.08 0.00 0.21 0.00 0.00 66.02 64.91 1ypg s SER 36 CO 0.00 -0.07 1.09 -2.16 0.41 0.00 0.00 173.24 172.52 1ypg s PRO 37 N 1.44 3.88 -0.56 12.44 0.04 -1.26 -5.05 135.00 145.92 1ypg s PRO 37 Ca 0.04 1.57 -0.27 0.00 0.04 0.00 0.00 61.00 62.38 1ypg s PRO 37 Cb -0.14 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 1ypg s PRO 37 CO -0.11 -0.40 1.67 -0.65 0.04 0.00 0.00 177.00 177.55 1ypg s GLN 38 N -2.80 2.99 0.16 4.56 -0.21 -0.26 -4.57 119.66 119.52 1ypg s GLN 38 Ca 0.63 0.63 -0.10 0.00 0.02 0.00 0.00 55.36 56.54 1ypg s GLN 38 Cb -0.23 -4.26 -0.00 0.00 1.00 0.00 0.00 33.01 29.52 1ypg s GLN 38 CO 0.28 -2.31 0.30 -1.83 -2.12 0.00 0.00 175.29 169.61 1ypg s GLU 39 N 6.25 1.13 0.04 2.91 -1.05 -1.04 -4.93 118.70 122.02 1ypg s GLU 39 Ca 0.62 -1.09 -0.31 0.00 -0.15 0.00 0.00 54.97 54.04 1ypg s GLU 39 Cb -0.13 0.39 -0.06 0.00 -0.44 0.00 0.00 34.13 33.89 1ypg s GLU 39 CO 0.24 -0.42 1.34 -1.17 0.95 0.00 0.00 175.26 176.20 1ypg s LEU 40 N -2.94 4.34 -0.27 1.83 2.96 -1.26 1.00 118.68 124.34 1ypg s LEU 40 Ca 0.14 2.13 -0.06 0.00 -0.22 0.00 0.00 54.13 56.12 1ypg s LEU 40 Cb 0.03 -3.57 -0.14 0.00 0.50 0.00 0.00 46.19 43.00 1ypg s LEU 40 CO -0.02 -0.64 -0.30 0.18 -1.32 0.00 0.00 176.35 174.25 1ypg n LEU 41 N 4.63 2.45 -3.77 -0.68 4.77 0.34 -4.82 117.00 119.92 1ypg n LEU 41 Ca 0.12 0.11 -0.02 0.00 -0.03 0.00 0.00 56.01 56.19 1ypg n LEU 41 Cb 0.44 -0.86 -0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1ypg n LEU 41 CO 0.58 0.75 0.86 0.00 -1.33 0.00 0.00 177.39 178.25 1ypg s GLY 43 N -3.13 1.70 0.01 0.00 0.00 0.13 -0.89 107.32 105.14 1ypg s GLY 43 Ca 0.16 -0.99 -0.28 0.00 0.00 0.00 0.00 44.72 43.61 1ypg s GLY 43 CO 0.01 -0.56 1.25 0.00 0.00 0.00 0.00 173.10 173.80 1ypg s ALA 44 N -3.27 -2.27 0.00 3.20 0.00 -0.53 -3.45 121.76 115.45 1ypg s ALA 44 Ca 0.61 0.22 -0.04 0.00 0.00 0.00 0.00 51.96 52.75 1ypg s ALA 44 Cb -0.10 0.69 -0.00 0.00 0.00 0.00 0.00 23.12 23.70 1ypg s ALA 44 CO 0.45 -1.10 0.07 -1.54 0.00 0.00 0.00 175.76 173.64 1ypg s SER 45 N -3.46 0.08 -0.32 0.00 1.04 -0.11 -0.66 113.70 110.28 1ypg s SER 45 Ca 0.23 -0.24 -0.21 0.00 0.48 0.00 0.00 55.95 56.21 1ypg s SER 45 Cb 0.01 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 1ypg s SER 45 CO -0.01 -0.29 0.64 -0.22 0.98 0.00 0.00 173.24 174.35 1ypg s LEU 46 N -1.16 4.16 -0.00 2.42 2.96 -0.39 -0.45 118.68 126.21 1ypg s LEU 46 Ca -0.13 0.39 0.09 0.00 -0.22 0.00 0.00 54.13 54.26 1ypg s LEU 46 Cb -0.07 -2.83 -0.10 0.00 0.50 0.00 0.00 46.19 43.69 1ypg s LEU 46 CO 0.00 -0.51 0.34 2.30 -1.32 0.00 0.00 176.35 177.16 1ypg n ILE 47 N 5.45 0.00 -3.35 6.68 -5.35 -0.58 -1.59 119.36 120.61 1ypg n ILE 47 Ca -0.01 -0.28 -0.03 0.00 -0.27 0.00 0.00 62.75 62.16 1ypg n ILE 47 Cb 0.49 0.90 0.01 0.00 -1.74 0.00 0.00 39.64 39.30 1ypg n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1ypg n SER 48 N -1.29 -0.90 0.00 7.28 3.41 -1.17 -4.73 113.62 116.22 1ypg n SER 48 Ca 0.01 -1.61 0.09 0.00 -0.26 0.00 0.00 58.87 57.10 1ypg n SER 48 Cb 0.15 1.50 0.40 0.00 -0.26 0.00 0.00 64.21 66.00 1ypg n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ypg n ASP 49 N -1.17 0.00 0.00 4.04 3.85 -1.26 -3.43 116.55 118.57 1ypg n ASP 49 Ca -0.03 0.29 0.00 0.00 -0.71 0.00 0.00 54.79 54.34 1ypg n ASP 49 Cb 0.24 -0.40 0.00 0.00 -1.35 0.00 0.00 41.12 39.61 1ypg n ASP 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1ypg n ARG 50 N -1.40 0.16 -4.82 0.11 1.74 -1.26 0.11 116.66 111.29 1ypg n ARG 50 Ca 0.06 -0.41 -0.26 0.00 -0.77 0.00 0.00 57.85 56.47 1ypg n ARG 50 Cb 0.17 -0.66 -0.16 0.00 -1.02 0.00 0.00 32.46 30.79 1ypg n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1ypg s TRP 51 N -0.12 1.72 -0.06 -1.55 0.52 -1.22 -0.82 118.94 117.41 1ypg s TRP 51 Ca 0.00 -0.52 0.05 0.00 0.02 0.00 0.00 56.10 55.65 1ypg s TRP 51 Cb 0.00 -1.17 -0.01 0.00 -1.15 0.00 0.00 33.47 31.15 1ypg s TRP 51 CO 0.00 -0.19 -0.22 0.08 0.02 0.00 0.00 176.95 176.64 1ypg s VAL 52 N 0.12 1.85 -0.11 4.03 1.01 -0.03 -1.53 120.40 125.73 1ypg s VAL 52 Ca -0.06 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 60.96 1ypg s VAL 52 Cb -0.12 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1ypg s VAL 52 CO 0.03 0.52 0.01 -0.22 0.00 0.00 0.00 175.10 175.43 1ypg s LEU 53 N 0.03 3.58 0.00 3.92 2.96 0.40 -0.82 118.68 128.75 1ypg s LEU 53 Ca -0.07 0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1ypg s LEU 53 Cb -0.14 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.72 1ypg s LEU 53 CO 0.04 0.32 0.21 1.07 -1.32 0.00 0.00 176.35 176.67 1ypg n THR 54 N 2.55 0.00 -3.16 3.68 5.66 -0.37 -0.94 114.28 121.70 1ypg n THR 54 Ca -0.18 -0.63 -0.39 0.00 -3.05 0.00 0.00 64.05 59.80 1ypg n THR 54 Cb 0.53 0.41 -0.06 0.00 -1.55 0.00 0.00 70.33 69.67 1ypg n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ypg s ALA 55 N -1.91 3.50 0.40 1.79 0.00 -1.26 -1.51 121.76 122.77 1ypg s ALA 55 Ca 0.10 0.12 0.14 0.00 0.00 0.00 0.00 51.96 52.33 1ypg s ALA 55 Cb -0.01 -2.78 0.99 0.00 0.00 0.00 0.00 23.12 21.33 1ypg s ALA 55 CO 0.07 0.26 1.89 0.00 0.00 0.00 0.00 175.76 177.98 1ypg h ALA 56 N 5.03 2.05 0.00 0.00 0.00 -1.69 -1.27 119.26 123.38 1ypg h ALA 56 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ypg h ALA 56 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ypg h ALA 56 CO 0.67 -0.28 0.00 -2.39 0.00 0.00 0.00 179.25 177.25 1ypg n HIS 57 N -4.51 0.66 0.22 0.00 1.44 -1.26 -0.71 115.22 111.06 1ypg n HIS 57 Ca 0.16 0.27 0.10 0.00 -2.01 0.00 0.00 57.72 56.24 1ypg n HIS 57 Cb 0.54 -0.93 0.46 0.00 0.12 0.00 0.00 29.99 30.18 1ypg n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ypg n LEU 59 N -3.40 0.55 -3.76 0.00 4.77 -0.03 -4.92 117.00 110.22 1ypg n LEU 59 Ca 0.00 -0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 1ypg n LEU 59 Cb 0.43 0.06 -0.17 0.00 -2.33 0.00 0.00 43.42 41.40 1ypg n LEU 59 CO 0.33 0.22 -0.38 -0.22 -1.33 0.00 0.00 177.39 176.01 1ypg s LEU 60 N -4.57 0.64 0.13 2.23 2.96 0.11 -1.95 118.68 118.23 1ypg s LEU 60 Ca -0.04 -0.20 -0.22 0.00 -0.22 0.00 0.00 54.13 53.45 1ypg s LEU 60 Cb 0.02 -0.44 0.06 0.00 0.50 0.00 0.00 46.19 46.32 1ypg s LEU 60 CO 0.20 -0.22 0.56 -0.47 -1.32 0.00 0.00 176.35 175.10 1ypg s TYR 60 N 1.97 -0.47 0.00 5.38 5.04 0.41 -4.20 117.35 125.49 1ypg s TYR 60 Ca 0.04 0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.99 1ypg s TYR 60 Cb -0.13 0.47 0.00 0.00 0.35 0.00 0.00 41.96 42.65 1ypg s TYR 60 CO -0.06 -0.78 0.00 -2.30 -1.34 0.00 0.00 175.55 171.07 1ypg n PRO 60 N -0.17 0.00 -0.14 4.97 -0.02 -1.26 -2.35 135.00 136.03 1ypg n PRO 60 Ca -0.17 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.37 1ypg n PRO 60 Cb 0.64 0.00 0.12 0.00 -0.02 0.00 0.00 33.50 34.24 1ypg n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1ypg n TRP 60 N 0.00 0.27 -4.04 6.00 8.01 -1.26 -4.97 117.44 121.45 1ypg n TRP 60 Ca 0.00 -0.73 -0.30 0.00 -1.31 0.00 0.00 57.50 55.16 1ypg n TRP 60 Cb 0.00 -0.13 -0.01 0.00 -2.01 0.00 0.00 31.31 29.16 1ypg n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1ypg n ASP 60 N -0.61 -2.11 -4.64 -0.99 8.00 -1.18 -4.98 116.55 110.05 1ypg n ASP 60 Ca 0.11 -0.97 -0.38 0.00 0.71 0.00 0.00 54.79 54.27 1ypg n ASP 60 Cb 0.53 -3.10 -0.09 0.00 -0.02 0.00 0.00 41.12 38.44 1ypg n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1ypg s LYS 60 N -6.69 4.06 -0.48 -1.24 2.20 -0.99 -4.98 119.74 111.62 1ypg s LYS 60 Ca 0.37 -0.09 0.06 0.00 -0.36 0.00 0.00 55.97 55.95 1ypg s LYS 60 Cb -0.20 -3.59 0.26 0.00 -1.51 0.00 0.00 37.83 32.79 1ypg s LYS 60 CO 0.89 -0.09 0.96 -1.71 -0.36 0.00 0.00 175.35 175.04 1ypg n ASN 60 N 4.73 -2.73 -4.73 1.43 2.85 -1.24 -0.44 115.26 115.13 1ypg n ASN 60 Ca -0.12 -3.40 -0.42 0.00 -0.11 0.00 0.00 54.58 50.53 1ypg n ASN 60 Cb 0.51 1.86 -0.03 0.00 1.24 0.00 0.00 39.78 43.36 1ypg n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1ypg s PHE 60 N 0.57 2.99 0.45 1.20 0.08 -0.82 -5.03 117.98 117.41 1ypg s PHE 60 Ca 0.29 0.74 0.01 0.00 0.12 0.00 0.00 56.93 58.09 1ypg s PHE 60 Cb 0.25 -3.94 -0.00 0.00 -0.57 0.00 0.00 43.02 38.76 1ypg s PHE 60 CO -0.19 -3.31 0.66 -0.08 -0.10 0.00 0.00 175.22 172.20 1ypg s THR 60 N 0.63 3.97 0.25 0.64 -1.32 -1.26 -4.95 115.64 113.61 1ypg s THR 60 Ca 0.66 -0.53 -0.07 0.00 -1.21 0.00 0.00 61.69 60.55 1ypg s THR 60 Cb -0.44 -3.46 0.31 0.00 -1.51 0.00 0.00 72.50 67.40 1ypg s THR 60 CO 0.37 -0.32 1.62 -0.33 -2.21 0.00 0.00 174.62 173.75 1ypg h GLU 61 N 0.42 0.06 0.00 7.08 3.07 -1.94 -0.73 114.58 122.53 1ypg h GLU 61 Ca -0.46 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1ypg h GLU 61 Cb 1.25 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1ypg h GLU 61 CO 0.57 0.04 0.00 0.09 -1.40 0.00 0.00 179.01 178.31 1ypg n ASN 62 N -5.41 0.00 0.03 1.42 4.13 -1.26 -2.64 115.26 111.53 1ypg n ASN 62 Ca 0.14 -0.90 0.13 0.00 1.68 0.00 0.00 54.58 55.64 1ypg n ASN 62 Cb 0.49 -0.03 0.46 0.00 -1.54 0.00 0.00 39.78 39.17 1ypg n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1ypg n ASP 63 N -1.03 0.35 -3.31 6.41 8.00 -0.28 -4.94 116.55 121.75 1ypg n ASP 63 Ca 0.23 0.36 -0.13 0.00 0.71 0.00 0.00 54.79 55.95 1ypg n ASP 63 Cb 0.12 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.81 1ypg n ASP 63 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1ypg s LEU 64 N -3.49 0.72 0.11 0.64 2.34 -1.08 -2.53 118.68 115.37 1ypg s LEU 64 Ca 0.12 -1.33 0.05 0.00 0.06 0.00 0.00 54.13 53.02 1ypg s LEU 64 Cb 0.17 1.76 -0.04 0.00 -0.56 0.00 0.00 46.19 47.52 1ypg s LEU 64 CO 0.59 -1.34 -0.12 -0.76 -1.06 0.00 0.00 176.35 173.66 1ypg s LEU 65 N -3.17 2.40 -0.13 1.48 1.43 -0.42 -4.53 118.68 115.74 1ypg s LEU 65 Ca 0.26 -0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 1ypg s LEU 65 Cb -0.01 -0.41 -0.03 0.00 0.03 0.00 0.00 46.19 45.76 1ypg s LEU 65 CO 0.17 -0.21 -0.00 0.68 0.23 0.00 0.00 176.35 177.22 1ypg s VAL 66 N -2.25 4.26 -0.24 -1.59 -7.23 -0.03 -1.44 120.40 111.88 1ypg s VAL 66 Ca 0.06 -0.24 -0.01 0.00 -1.81 0.00 0.00 61.98 59.98 1ypg s VAL 66 Cb -0.04 -2.84 0.02 0.00 0.56 0.00 0.00 36.38 34.08 1ypg s VAL 66 CO 0.01 0.54 -0.08 -0.13 -0.31 0.00 0.00 175.10 175.14 1ypg s ARG 67 N -0.23 2.86 -0.01 4.82 0.52 -0.33 0.06 118.95 126.63 1ypg s ARG 67 Ca 0.06 -0.95 0.05 0.00 -0.52 0.00 0.00 55.73 54.36 1ypg s ARG 67 Cb -0.12 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.38 1ypg s ARG 67 CO 0.02 -0.37 -0.14 0.42 0.02 0.00 0.00 175.30 175.25 1ypg s ILE 68 N 1.32 3.11 0.00 1.52 1.01 0.11 -1.41 121.20 126.86 1ypg s ILE 68 Ca 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1ypg s ILE 68 Cb -0.16 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1ypg s ILE 68 CO -0.05 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1ypg n GLY 69 N 1.91 0.74 3.92 6.18 0.00 -1.26 -0.05 105.19 116.64 1ypg n GLY 69 Ca -0.16 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 1ypg n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypg s LYS 70 N -0.80 3.53 0.17 1.61 1.02 -1.26 -4.27 119.74 119.74 1ypg s LYS 70 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 55.97 55.88 1ypg s LYS 70 Cb 0.00 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1ypg s LYS 70 CO 0.00 0.05 0.00 1.58 -0.92 0.00 0.00 175.35 176.06 1ypg n HIS 71 N -1.78 -1.09 -2.41 3.18 -0.00 -1.26 -4.94 115.22 106.92 1ypg n HIS 71 Ca -0.03 0.19 -0.41 0.00 -0.00 0.00 0.00 57.72 57.48 1ypg n HIS 71 Cb 0.55 0.29 -0.04 0.00 -0.00 0.00 0.00 29.99 30.80 1ypg n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ypg s SER 72 N -5.42 7.16 0.02 0.26 0.15 -1.26 -0.58 113.70 114.03 1ypg s SER 72 Ca 0.00 2.30 -0.26 0.00 0.70 0.00 0.00 55.95 58.70 1ypg s SER 72 Cb 0.00 -2.62 -0.17 0.00 -1.71 0.00 0.00 66.02 61.52 1ypg s SER 72 CO 0.00 -0.25 1.33 -0.09 1.20 0.00 0.00 173.24 175.43 1ypg h ARG 73 N 4.18 -0.38 0.00 5.44 2.43 -1.60 -3.37 114.38 121.08 1ypg h ARG 73 Ca -0.46 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.68 1ypg h ARG 73 Cb 1.21 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1ypg h ARG 73 CO 0.69 -0.09 -1.66 0.25 -1.51 0.00 0.00 179.97 177.66 1ypg n THR 74 N -5.14 0.47 -2.69 0.20 -2.24 -1.26 -4.97 114.28 98.65 1ypg n THR 74 Ca -0.10 -0.57 -0.36 0.00 -2.27 0.00 0.00 64.05 60.76 1ypg n THR 74 Cb 0.25 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.18 1ypg n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1ypg s ARG 75 N -3.30 4.29 -0.44 -0.78 3.52 -1.26 -4.98 118.95 116.00 1ypg s ARG 75 Ca -0.05 1.34 -0.27 0.00 -0.13 0.00 0.00 55.73 56.62 1ypg s ARG 75 Cb 0.11 -2.49 0.02 0.00 -1.56 0.00 0.00 34.95 31.03 1ypg s ARG 75 CO 0.85 -0.00 0.99 -0.47 -0.81 0.00 0.00 175.30 175.87 1ypg s TYR 76 N -1.81 2.94 -1.22 5.12 5.04 -1.26 -4.92 117.35 121.25 1ypg s TYR 76 Ca 0.57 0.61 -0.11 0.00 -2.44 0.00 0.00 57.07 55.71 1ypg s TYR 76 Cb -0.17 -4.01 0.19 0.00 0.35 0.00 0.00 41.96 38.32 1ypg s TYR 76 CO 0.22 -1.07 1.59 0.39 -1.34 0.00 0.00 175.55 175.35 1ypg n GLU 77 N 7.25 3.60 -1.60 4.97 1.02 -1.26 -4.97 120.64 129.65 1ypg n GLU 77 Ca 0.08 -3.85 -0.58 0.00 -0.02 0.00 0.00 57.16 52.80 1ypg n GLU 77 Cb 0.48 -2.90 -0.07 0.00 -0.02 0.00 0.00 31.44 28.93 1ypg n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ypg n ARG 77 N 4.21 0.57 -0.95 3.49 0.63 -1.26 -0.79 116.66 122.55 1ypg n ARG 77 Ca 0.36 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 1ypg n ARG 77 Cb 0.39 -1.78 0.00 0.00 0.45 0.00 0.00 32.46 31.51 1ypg n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ypg n ASN 78 N 2.77 -3.60 0.07 6.15 4.13 -1.26 -4.74 115.26 118.77 1ypg n ASN 78 Ca 0.22 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.48 1ypg n ASN 78 Cb 0.11 -1.81 0.00 0.00 -1.54 0.00 0.00 39.78 36.54 1ypg n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1ypg n ILE 79 N -2.42 0.61 -1.72 2.41 5.41 0.03 -5.06 119.36 118.61 1ypg n ILE 79 Ca 0.00 0.20 -0.31 0.00 1.00 0.00 0.00 62.75 63.64 1ypg n ILE 79 Cb 0.20 -1.15 0.04 0.00 -0.71 0.00 0.00 39.64 38.01 1ypg n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ypg s GLU 80 N -2.00 3.08 -0.07 0.38 -1.05 -0.07 -4.77 118.70 114.20 1ypg s GLU 80 Ca 0.00 1.01 0.04 0.00 -0.15 0.00 0.00 54.97 55.87 1ypg s GLU 80 Cb 0.00 -2.01 0.00 0.00 -0.44 0.00 0.00 34.13 31.69 1ypg s GLU 80 CO 0.00 -0.99 -0.18 0.15 0.95 0.00 0.00 175.26 175.19 1ypg s LYS 81 N -4.77 2.19 -0.16 -4.83 -0.14 0.93 -4.89 119.74 108.07 1ypg s LYS 81 Ca 0.59 -0.64 -0.06 0.00 -1.36 0.00 0.00 55.97 54.50 1ypg s LYS 81 Cb -0.14 -1.76 -0.04 0.00 -1.68 0.00 0.00 37.83 34.21 1ypg s LYS 81 CO 0.50 0.15 0.06 0.42 -0.76 0.00 0.00 175.35 175.71 1ypg s ILE 82 N 0.36 4.74 0.09 2.17 1.01 -1.26 -0.72 121.20 127.59 1ypg s ILE 82 Ca -0.13 -0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.53 1ypg s ILE 82 Cb -0.15 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 1ypg s ILE 82 CO 0.05 0.50 -0.18 -0.44 0.00 0.00 0.00 174.94 174.87 1ypg s SER 83 N 0.05 2.18 0.16 3.58 0.01 0.11 -4.97 113.70 114.82 1ypg s SER 83 Ca 0.05 -0.64 -0.04 0.00 1.31 0.00 0.00 55.95 56.62 1ypg s SER 83 Cb -0.12 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 1ypg s SER 83 CO 0.01 0.01 0.39 -0.04 0.41 0.00 0.00 173.24 174.02 1ypg s MET 84 N -1.78 3.61 -0.01 12.44 -1.94 -1.26 -0.85 119.30 129.51 1ypg s MET 84 Ca 0.03 -0.10 -0.21 0.00 -1.71 0.00 0.00 55.69 53.69 1ypg s MET 84 Cb -0.10 -2.83 -0.05 0.00 2.01 0.00 0.00 34.83 33.86 1ypg s MET 84 CO 0.03 0.44 0.62 -0.51 -0.01 0.00 0.00 175.02 175.59 1ypg s LEU 85 N -2.80 4.41 -0.21 -0.03 1.02 -1.26 -1.22 118.68 118.58 1ypg s LEU 85 Ca 0.41 1.19 -0.16 0.00 0.02 0.00 0.00 54.13 55.59 1ypg s LEU 85 Cb -0.12 -2.97 -0.19 0.00 0.02 0.00 0.00 46.19 42.94 1ypg s LEU 85 CO 0.25 0.07 0.10 1.21 0.02 0.00 0.00 176.35 178.00 1ypg n GLU 86 N 2.86 0.61 -3.68 1.70 2.13 0.14 -4.64 120.64 119.76 1ypg n GLU 86 Ca -0.06 0.44 -0.13 0.00 0.66 0.00 0.00 57.16 58.06 1ypg n GLU 86 Cb 0.51 -1.68 -0.08 0.00 0.27 0.00 0.00 31.44 30.46 1ypg n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ypg s LYS 87 N -2.44 0.66 -0.19 5.31 2.47 -1.10 -5.00 119.74 119.46 1ypg s LYS 87 Ca -0.30 0.80 -0.11 0.00 -1.56 0.00 0.00 55.97 54.80 1ypg s LYS 87 Cb 0.08 0.32 -0.05 0.00 -1.46 0.00 0.00 37.83 36.72 1ypg s LYS 87 CO 0.60 -0.08 0.17 0.42 0.16 0.00 0.00 175.35 176.62 1ypg s ILE 88 N 0.34 5.39 -0.25 5.43 1.01 -1.26 -0.75 121.20 131.11 1ypg s ILE 88 Ca -0.00 0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.94 1ypg s ILE 88 Cb -0.04 -3.51 0.06 0.00 0.01 0.00 0.00 42.46 38.98 1ypg s ILE 88 CO 0.00 0.43 -0.09 -0.31 0.00 0.00 0.00 174.94 174.97 1ypg s TYR 89 N 0.39 2.93 -0.06 3.97 1.51 0.21 -5.01 117.35 121.28 1ypg s TYR 89 Ca 0.10 -2.10 -0.04 0.00 -1.01 0.00 0.00 57.07 54.02 1ypg s TYR 89 Cb -0.11 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 1ypg s TYR 89 CO -0.01 -0.84 0.13 0.42 -1.11 0.00 0.00 175.55 174.15 1ypg s ILE 90 N 1.21 5.24 -0.22 2.71 1.01 -1.26 -0.49 121.20 129.41 1ypg s ILE 90 Ca -0.08 -0.06 -0.38 0.00 0.00 0.00 0.00 60.65 60.13 1ypg s ILE 90 Cb -0.19 -3.35 -0.15 0.00 0.01 0.00 0.00 42.46 38.78 1ypg s ILE 90 CO -0.06 0.47 1.78 1.57 0.00 0.00 0.00 174.94 178.70 1ypg n HIS 91 N 1.51 2.12 0.27 3.97 -0.00 -0.99 -4.86 115.22 117.24 1ypg n HIS 91 Ca -0.16 0.39 0.12 0.00 -0.00 0.00 0.00 57.72 58.07 1ypg n HIS 91 Cb 0.54 -2.51 0.75 0.00 -0.00 0.00 0.00 29.99 28.77 1ypg n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ypg h PRO 92 N 7.71 0.00 -0.62 1.57 0.13 -1.95 -1.50 132.00 137.34 1ypg h PRO 92 Ca -0.47 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.51 1ypg h PRO 92 Cb 1.31 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.35 1ypg h PRO 92 CO 0.95 0.09 0.17 0.54 -0.23 0.00 0.00 178.00 179.52 1ypg n ARG 93 N -3.83 3.72 -1.69 0.86 1.74 -1.26 -4.97 116.66 111.23 1ypg n ARG 93 Ca -0.02 -3.08 -0.52 0.00 -0.77 0.00 0.00 57.85 53.45 1ypg n ARG 93 Cb 0.18 -2.16 -0.06 0.00 -1.02 0.00 0.00 32.46 29.41 1ypg n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1ypg n TYR 94 N -0.13 2.23 -3.25 -1.55 9.36 -0.57 -4.76 117.16 118.49 1ypg n TYR 94 Ca 0.36 0.20 -0.43 0.00 3.32 0.00 0.00 57.90 61.35 1ypg n TYR 94 Cb 1.27 -2.59 -0.00 0.00 -0.63 0.00 0.00 39.34 37.39 1ypg n TYR 94 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1ypg n ASN 95 N 6.20 5.69 0.10 2.98 2.85 -0.37 -4.81 115.26 127.89 1ypg n ASN 95 Ca 0.24 -3.19 0.12 0.00 -0.11 0.00 0.00 54.58 51.65 1ypg n ASN 95 Cb 0.23 -1.29 0.45 0.00 1.24 0.00 0.00 39.78 40.41 1ypg n ASN 95 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 1ypg n TRP 96 N 2.11 0.74 -0.05 1.20 4.27 -1.26 -0.51 117.44 123.94 1ypg n TRP 96 Ca 0.25 0.24 -0.13 0.00 -3.89 0.00 0.00 57.50 53.97 1ypg n TRP 96 Cb 0.37 -0.89 -0.07 0.00 -1.36 0.00 0.00 31.31 29.35 1ypg n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ypg h ARG 97 N 0.00 0.38 0.00 -2.67 3.08 -1.99 -3.43 114.38 109.74 1ypg h ARG 97 Ca 0.00 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1ypg h ARG 97 Cb 0.56 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1ypg h ARG 97 CO 0.00 0.78 -0.39 -1.91 -1.07 0.00 0.00 179.97 177.38 1ypg n GLU 97 N -4.52 0.21 -0.33 0.04 2.13 -1.20 -4.97 120.64 112.00 1ypg n GLU 97 Ca -0.06 0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1ypg n GLU 97 Cb 0.38 -0.84 0.00 0.00 0.27 0.00 0.00 31.44 31.25 1ypg n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ypg n ASN 98 N -3.29 0.00 -2.00 4.31 6.94 -1.08 -5.00 115.26 115.14 1ypg n ASN 98 Ca -0.05 -1.54 -0.19 0.00 -0.02 0.00 0.00 54.58 52.78 1ypg n ASN 98 Cb 0.20 -0.11 -0.02 0.00 -2.36 0.00 0.00 39.78 37.49 1ypg n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ypg n LEU 99 N 0.00 -1.76 -4.76 -4.53 4.77 0.34 -4.96 117.00 106.10 1ypg n LEU 99 Ca 0.00 0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.64 1ypg n LEU 99 Cb 0.61 -2.68 -0.00 0.00 -2.33 0.00 0.00 43.42 39.02 1ypg n LEU 99 CO 0.00 -0.35 1.12 -0.67 -1.33 0.00 0.00 177.39 176.17 1ypg n ASP 100 N -1.47 3.68 -3.18 -1.43 2.03 -1.24 -2.59 116.55 112.35 1ypg n ASP 100 Ca -0.22 1.21 -0.16 0.00 0.52 0.00 0.00 54.79 56.15 1ypg n ASP 100 Cb 0.66 -1.60 0.08 0.00 -0.72 0.00 0.00 41.12 39.54 1ypg n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ypg n ARG 101 N 0.71 -6.00 -2.44 -0.67 1.74 -1.26 -1.24 116.66 107.50 1ypg n ARG 101 Ca 0.03 0.76 -0.41 0.00 -0.77 0.00 0.00 57.85 57.46 1ypg n ARG 101 Cb 0.38 -5.52 -0.01 0.00 -1.02 0.00 0.00 32.46 26.29 1ypg n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ypg n ASP 102 N -2.89 4.59 -3.69 0.55 2.03 -1.07 -4.25 116.55 111.82 1ypg n ASP 102 Ca -0.25 -2.88 -0.14 0.00 0.52 0.00 0.00 54.79 52.04 1ypg n ASP 102 Cb 0.65 -1.74 -0.09 0.00 -0.72 0.00 0.00 41.12 39.22 1ypg n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ypg s ILE 103 N 5.16 0.01 -0.03 5.18 2.07 -1.26 -3.91 121.20 128.42 1ypg s ILE 103 Ca 0.56 -0.11 -0.17 0.00 -1.41 0.00 0.00 60.65 59.52 1ypg s ILE 103 Cb 0.04 -0.71 0.03 0.00 0.13 0.00 0.00 42.46 41.95 1ypg s ILE 103 CO 0.08 -0.06 0.37 0.00 -1.91 0.00 0.00 174.94 173.41 1ypg s ALA 104 N -0.33 -0.93 0.06 1.50 0.00 -0.57 -2.35 121.76 119.14 1ypg s ALA 104 Ca -0.05 0.53 0.05 0.00 0.00 0.00 0.00 51.96 52.49 1ypg s ALA 104 Cb -0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1ypg s ALA 104 CO 0.03 -0.27 -0.07 -0.51 0.00 0.00 0.00 175.76 174.94 1ypg s LEU 105 N -1.16 3.18 -0.10 0.00 1.43 0.36 -1.24 118.68 121.15 1ypg s LEU 105 Ca -0.12 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1ypg s LEU 105 Cb -0.04 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.30 1ypg s LEU 105 CO 0.05 0.22 -0.07 -0.04 0.23 0.00 0.00 176.35 176.74 1ypg s MET 106 N -1.91 1.37 -0.16 1.70 -1.94 -0.00 -0.62 119.30 117.73 1ypg s MET 106 Ca 0.21 -0.21 -0.19 0.00 -1.71 0.00 0.00 55.69 53.78 1ypg s MET 106 Cb -0.11 -1.43 -0.03 0.00 2.01 0.00 0.00 34.83 35.26 1ypg s MET 106 CO 0.12 -0.23 0.54 0.21 -0.01 0.00 0.00 175.02 175.66 1ypg s LYS 107 N 1.58 4.26 0.41 2.03 2.20 0.07 -0.85 119.74 129.44 1ypg s LYS 107 Ca 0.02 0.51 -0.18 0.00 -0.36 0.00 0.00 55.97 55.96 1ypg s LYS 107 Cb -0.13 -3.52 -0.10 0.00 -1.51 0.00 0.00 37.83 32.58 1ypg s LYS 107 CO -0.06 -0.05 0.88 -0.51 -0.36 0.00 0.00 175.35 175.25 1ypg s LEU 108 N 1.30 3.92 0.25 5.43 1.43 0.00 0.27 118.68 131.29 1ypg s LEU 108 Ca 0.27 1.51 -0.05 0.00 -1.03 0.00 0.00 54.13 54.82 1ypg s LEU 108 Cb -0.16 -4.36 0.28 0.00 0.03 0.00 0.00 46.19 41.98 1ypg s LEU 108 CO 0.11 -0.36 1.89 0.11 0.23 0.00 0.00 176.35 178.33 1ypg h LYS 109 N 1.80 1.22 -4.97 1.70 1.57 -1.43 -3.41 116.57 113.05 1ypg h LYS 109 Ca -0.48 -0.12 -0.32 0.00 -1.87 0.00 0.00 60.65 57.86 1ypg h LYS 109 Cb 1.18 -0.25 -0.18 0.00 0.08 0.00 0.00 32.23 33.06 1ypg h LYS 109 CO 0.63 0.86 -0.73 0.15 -0.57 0.00 0.00 179.45 179.79 1ypg s LYS 110 N -5.88 0.84 0.35 3.15 1.02 -1.26 -4.99 119.74 112.97 1ypg s LYS 110 Ca -0.12 -1.14 -0.28 0.00 0.02 0.00 0.00 55.97 54.44 1ypg s LYS 110 Cb 0.17 -0.54 -0.10 0.00 -0.52 0.00 0.00 37.83 36.84 1ypg s LYS 110 CO 0.82 0.08 1.38 -1.25 -0.92 0.00 0.00 175.35 175.46 1ypg s PRO 111 N -2.72 4.24 0.04 -1.68 0.04 -1.26 -4.83 135.00 128.83 1ypg s PRO 111 Ca 0.05 2.35 -0.17 0.00 0.04 0.00 0.00 61.00 63.27 1ypg s PRO 111 Cb -0.03 -3.02 -0.06 0.00 0.04 0.00 0.00 34.50 31.43 1ypg s PRO 111 CO 0.00 -0.34 0.50 0.54 0.04 0.00 0.00 177.00 177.74 1ypg s VAL 112 N -1.14 4.86 0.00 -0.36 0.11 0.12 -5.00 120.40 118.99 1ypg s VAL 112 Ca 0.51 1.05 -0.30 0.00 -2.93 0.00 0.00 61.98 60.30 1ypg s VAL 112 Cb -0.42 -3.82 -0.04 0.00 -1.53 0.00 0.00 36.38 30.57 1ypg s VAL 112 CO 0.57 0.56 1.20 0.00 -3.33 0.00 0.00 175.10 174.09 1ypg s ALA 113 N -1.11 3.43 0.56 1.54 0.00 -1.26 -4.80 121.76 120.12 1ypg s ALA 113 Ca 0.27 0.73 -0.17 0.00 0.00 0.00 0.00 51.96 52.80 1ypg s ALA 113 Cb -0.18 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 1ypg s ALA 113 CO 0.17 -0.59 1.04 -0.06 0.00 0.00 0.00 175.76 176.32 1ypg s PHE 114 N 1.63 3.08 0.23 0.00 0.08 -1.26 -4.86 117.98 116.88 1ypg s PHE 114 Ca 0.57 1.52 -0.10 0.00 0.12 0.00 0.00 56.93 59.04 1ypg s PHE 114 Cb -0.27 -2.98 0.04 0.00 -0.57 0.00 0.00 43.02 39.24 1ypg s PHE 114 CO 0.26 -0.91 0.54 -1.13 -0.10 0.00 0.00 175.22 173.87 1ypg n SER 115 N -1.74 -1.42 0.30 1.36 3.41 -0.55 -4.94 113.62 110.04 1ypg n SER 115 Ca 0.08 -1.94 0.16 0.00 -0.26 0.00 0.00 58.87 56.91 1ypg n SER 115 Cb 0.53 2.35 0.94 0.00 -0.26 0.00 0.00 64.21 67.77 1ypg n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ypg h ASP 116 N 1.27 0.00 -0.01 4.04 3.32 -1.99 -2.72 116.42 120.33 1ypg h ASP 116 Ca -0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1ypg h ASP 116 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1ypg h ASP 116 CO 0.27 0.00 -0.34 -1.22 -1.72 0.00 0.00 179.24 176.23 1ypg n TYR 117 N -3.76 0.00 -3.76 4.55 4.01 -1.26 -4.77 117.16 112.18 1ypg n TYR 117 Ca -0.03 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.46 1ypg n TYR 117 Cb 0.09 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 38.95 1ypg n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ypg s ILE 118 N -1.92 0.46 -0.26 -0.72 1.01 -1.03 -4.10 121.20 114.64 1ypg s ILE 118 Ca 0.13 -0.20 -0.25 0.00 0.00 0.00 0.00 60.65 60.33 1ypg s ILE 118 Cb 0.13 -0.78 0.09 0.00 0.01 0.00 0.00 42.46 41.92 1ypg s ILE 118 CO 0.41 0.05 0.85 -2.28 0.00 0.00 0.00 174.94 173.97 1ypg s HIS 119 N 1.91 -0.65 0.37 3.97 2.46 -0.58 -1.48 115.29 121.30 1ypg s HIS 119 Ca 0.02 1.56 -0.20 0.00 0.47 0.00 0.00 55.06 56.91 1ypg s HIS 119 Cb -0.14 0.32 -0.10 0.00 -0.13 0.00 0.00 32.58 32.52 1ypg s HIS 119 CO -0.07 -0.33 0.88 -1.25 -2.47 0.00 0.00 174.74 171.50 1ypg s PRO 120 N 0.22 4.22 0.34 2.88 0.04 -1.26 -2.32 135.00 139.12 1ypg s PRO 120 Ca 0.01 1.01 -0.06 0.00 0.04 0.00 0.00 61.00 62.00 1ypg s PRO 120 Cb -0.05 -2.37 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 1ypg s PRO 120 CO -0.01 0.09 0.63 0.54 0.04 0.00 0.00 177.00 178.28 1ypg s VAL 121 N -2.01 4.96 0.44 -0.36 0.11 -0.62 -4.94 120.40 117.98 1ypg s VAL 121 Ca 0.57 0.17 -0.16 0.00 -2.93 0.00 0.00 61.98 59.63 1ypg s VAL 121 Cb -0.11 -3.76 -0.08 0.00 -1.53 0.00 0.00 36.38 30.90 1ypg s VAL 121 CO 0.16 -0.45 0.88 0.00 -3.33 0.00 0.00 175.10 172.37 1ypg s LEU 123 N -3.62 4.29 0.44 0.00 1.43 -1.26 -0.91 118.68 119.05 1ypg s LEU 123 Ca 0.57 0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 53.86 1ypg s LEU 123 Cb -0.10 -2.12 -0.09 0.00 0.03 0.00 0.00 46.19 43.91 1ypg s LEU 123 CO 0.25 0.38 1.05 -2.16 0.23 0.00 0.00 176.35 176.10 1ypg s PRO 124 N -1.16 3.99 0.63 1.29 0.04 -1.26 -4.95 135.00 133.58 1ypg s PRO 124 Ca 0.17 1.45 0.02 0.00 0.04 0.00 0.00 61.00 62.68 1ypg s PRO 124 Cb -0.12 -2.34 0.12 0.00 0.04 0.00 0.00 34.50 32.21 1ypg s PRO 124 CO 0.06 -0.28 0.87 -0.40 0.04 0.00 0.00 177.00 177.28 1ypg n ASP 125 N -0.49 1.37 -0.16 6.66 5.68 -1.26 -4.78 116.55 123.57 1ypg n ASP 125 Ca 0.07 -2.11 0.04 0.00 -0.50 0.00 0.00 54.79 52.30 1ypg n ASP 125 Cb 0.51 -0.54 0.34 0.00 -1.14 0.00 0.00 41.12 40.28 1ypg n ASP 125 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1ypg h ARG 126 N 0.00 0.76 0.00 0.11 2.43 -1.97 -2.49 114.38 113.22 1ypg h ARG 126 Ca -0.29 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 58.66 1ypg h ARG 126 Cb 1.11 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 1ypg h ARG 126 CO 0.33 0.51 -0.82 0.93 -1.51 0.00 0.00 179.97 179.40 1ypg h GLU 127 N 0.79 0.00 -0.15 0.20 3.07 -2.03 -0.72 114.58 115.74 1ypg h GLU 127 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1ypg h GLU 127 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1ypg h GLU 127 CO -0.08 0.82 0.00 2.41 -1.40 0.00 0.00 179.01 180.77 1ypg n THR 128 N -3.31 0.00 0.00 1.13 -1.04 -0.94 -0.92 114.28 109.20 1ypg n THR 128 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1ypg n THR 128 Cb 0.87 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 69.19 1ypg n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ypg n ALA 129 N 0.13 0.00 0.06 2.41 0.00 -0.28 -0.91 120.51 121.93 1ypg n ALA 129 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1ypg n ALA 129 Cb 0.04 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.62 1ypg n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ypg h SER 129 N 0.00 0.36 0.00 0.00 4.64 -1.29 -3.38 113.55 113.88 1ypg h SER 129 Ca 0.00 -0.18 -0.09 0.00 -0.47 0.00 0.00 61.79 61.04 1ypg h SER 129 Cb 0.00 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1ypg h SER 129 CO 0.00 0.81 -1.70 0.18 -0.87 0.00 0.00 176.83 175.25 1ypg n LEU 129 N -3.95 0.00 -3.65 5.97 4.77 -0.09 -4.72 117.00 115.33 1ypg n LEU 129 Ca -0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.55 1ypg n LEU 129 Cb 0.56 0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.78 1ypg n LEU 129 CO 0.44 0.13 2.60 -0.11 -1.33 0.00 0.00 177.39 179.12 1ypg n LEU 130 N -2.17 7.33 -4.17 2.23 7.94 -1.26 -4.79 117.00 122.11 1ypg n LEU 130 Ca -0.10 -4.41 -0.29 0.00 -1.11 0.00 0.00 56.01 50.11 1ypg n LEU 130 Cb 0.58 -1.56 -0.17 0.00 0.53 0.00 0.00 43.42 42.81 1ypg n LEU 130 CO 0.27 1.48 -0.53 -1.10 -1.11 0.00 0.00 177.39 176.41 1ypg s GLN 131 N 1.73 2.34 -0.03 1.96 -0.21 -1.26 -4.95 119.66 119.24 1ypg s GLN 131 Ca 0.50 -0.72 -0.38 0.00 0.02 0.00 0.00 55.36 54.78 1ypg s GLN 131 Cb 0.14 -1.89 -0.17 0.00 1.00 0.00 0.00 33.01 32.09 1ypg s GLN 131 CO -0.06 0.21 1.38 0.00 -2.12 0.00 0.00 175.29 174.69 1ypg n ALA 132 N 3.37 -1.35 0.00 6.09 0.00 -1.26 -0.57 120.51 126.78 1ypg n ALA 132 Ca -0.19 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1ypg n ALA 132 Cb 0.52 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1ypg n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ypg n GLY 133 N 2.71 2.86 3.75 0.00 0.00 0.13 -4.95 105.19 109.69 1ypg n GLY 133 Ca 0.21 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1ypg n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ypg s TYR 134 N -1.75 2.81 -0.03 1.61 1.51 0.26 -4.58 117.35 117.19 1ypg s TYR 134 Ca 0.00 0.92 -0.12 0.00 -1.01 0.00 0.00 57.07 56.86 1ypg s TYR 134 Cb 0.00 -3.98 -0.05 0.00 -0.11 0.00 0.00 41.96 37.82 1ypg s TYR 134 CO 0.00 -3.20 0.33 0.15 -1.11 0.00 0.00 175.55 171.72 1ypg s LYS 135 N -0.72 3.76 0.52 -0.62 1.02 -1.26 -0.88 119.74 121.56 1ypg s LYS 135 Ca 0.60 0.23 0.01 0.00 0.02 0.00 0.00 55.97 56.84 1ypg s LYS 135 Cb -0.46 -3.20 -0.00 0.00 -0.52 0.00 0.00 37.83 33.65 1ypg s LYS 135 CO 0.49 0.71 0.04 0.20 -0.92 0.00 0.00 175.35 175.86 1ypg s GLY 136 N -1.12 3.00 -0.05 -3.33 0.00 -0.28 -4.84 107.32 100.70 1ypg s GLY 136 Ca 0.22 -0.35 0.03 0.00 0.00 0.00 0.00 44.72 44.62 1ypg s GLY 136 CO 0.11 -2.18 -0.13 -1.60 0.00 0.00 0.00 173.10 169.30 1ypg s ARG 137 N -3.92 1.59 -0.06 2.90 3.52 0.11 -1.20 118.95 121.89 1ypg s ARG 137 Ca 0.07 -0.44 0.05 0.00 -0.13 0.00 0.00 55.73 55.28 1ypg s ARG 137 Cb 0.01 -1.35 -0.02 0.00 -1.56 0.00 0.00 34.95 32.03 1ypg s ARG 137 CO 0.04 0.09 -0.20 0.08 -0.81 0.00 0.00 175.30 174.49 1ypg s VAL 138 N 0.44 2.49 0.05 7.11 1.01 -0.38 -0.99 120.40 130.13 1ypg s VAL 138 Ca -0.10 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.00 1ypg s VAL 138 Cb -0.14 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1ypg s VAL 138 CO 0.03 0.57 -0.12 0.42 0.00 0.00 0.00 175.10 176.00 1ypg s THR 139 N -0.37 0.95 0.00 3.92 -4.23 -1.24 -1.69 115.64 112.98 1ypg s THR 139 Ca 0.03 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1ypg s THR 139 Cb -0.12 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.81 1ypg s THR 139 CO 0.02 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1ypg n GLY 140 N 1.70 0.50 0.94 3.99 0.00 -1.04 -4.53 105.19 106.75 1ypg n GLY 140 Ca -0.20 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 44.96 1ypg n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ypg n TRP 141 N -0.28 0.84 -0.59 1.61 8.01 -1.26 -2.18 117.44 123.59 1ypg n TRP 141 Ca 0.00 -0.63 -0.29 0.00 -1.31 0.00 0.00 57.50 55.27 1ypg n TRP 141 Cb 0.00 -0.16 0.26 0.00 -2.01 0.00 0.00 31.31 29.40 1ypg n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1ypg s GLY 142 N -1.25 1.51 0.52 6.99 0.00 -1.24 -4.61 107.32 109.23 1ypg s GLY 142 Ca 0.36 -0.38 -0.21 0.00 0.00 0.00 0.00 44.72 44.48 1ypg s GLY 142 CO 0.16 0.42 0.96 0.70 0.00 0.00 0.00 173.10 175.34 1ypg n ASN 143 N -5.05 0.90 0.03 1.64 5.03 0.14 -2.70 115.26 115.25 1ypg n ASN 143 Ca 0.05 0.90 0.13 0.00 0.87 0.00 0.00 54.58 56.54 1ypg n ASN 143 Cb 0.56 -1.36 0.47 0.00 -1.02 0.00 0.00 39.78 38.43 1ypg n ASN 143 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1ypg n LEU 144 N -0.10 0.34 -3.74 3.41 4.77 0.59 -0.60 117.00 121.68 1ypg n LEU 144 Ca 0.11 0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 56.38 1ypg n LEU 144 Cb 0.44 -0.39 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1ypg n LEU 144 CO 0.53 -0.03 0.06 -0.54 -1.33 0.00 0.00 177.39 176.08 1ypg s LYS 145 N -3.04 0.63 0.25 3.23 1.02 -1.26 -4.28 119.74 116.29 1ypg s LYS 145 Ca 0.12 0.06 -0.03 0.00 0.02 0.00 0.00 55.97 56.14 1ypg s LYS 145 Cb 0.17 0.29 0.39 0.00 -0.52 0.00 0.00 37.83 38.16 1ypg s LYS 145 CO 0.59 -0.15 1.85 1.49 -0.92 0.00 0.00 175.35 178.21 1ypg h GLU 146 N 4.33 0.97 -1.15 1.68 4.81 -1.90 -3.48 114.58 119.83 1ypg h GLU 146 Ca -0.29 -0.06 -0.38 0.00 -0.13 0.00 0.00 59.36 58.51 1ypg h GLU 146 Cb 1.18 -0.22 -0.32 0.00 0.63 0.00 0.00 28.75 30.02 1ypg h GLU 146 CO 0.36 0.64 -0.94 0.25 -0.73 0.00 0.00 179.01 178.59 1ypg n THR 147 N -4.61 0.10 0.00 0.32 -2.24 -1.26 -4.96 114.28 101.63 1ypg n THR 147 Ca 0.14 -3.29 0.00 0.00 -2.27 0.00 0.00 64.05 58.64 1ypg n THR 147 Cb 0.22 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1ypg n THR 147 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ypg n LYS 149 N 0.15 0.00 0.03 -0.78 3.00 -1.26 -5.07 118.16 114.23 1ypg n LYS 149 Ca 0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.34 1ypg n LYS 149 Cb 0.72 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.66 1ypg n LYS 149 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1ypg h GLY 150 N 0.00 -0.14 -4.72 3.14 0.00 -1.93 -3.45 103.07 95.97 1ypg h GLY 150 Ca 0.00 0.05 -0.58 0.00 0.00 0.00 0.00 47.33 46.80 1ypg h GLY 150 CO 0.00 -0.05 -0.85 1.20 0.00 0.00 0.00 176.54 176.84 1ypg s GLN 151 N -3.60 1.52 0.48 4.80 -0.21 -1.26 -0.30 119.66 121.10 1ypg s GLN 151 Ca -0.14 -0.79 -0.16 0.00 0.02 0.00 0.00 55.36 54.29 1ypg s GLN 151 Cb 0.01 -1.53 -0.08 0.00 1.00 0.00 0.00 33.01 32.40 1ypg s GLN 151 CO 0.56 0.41 0.94 -1.25 -2.12 0.00 0.00 175.29 173.83 1ypg s PRO 152 N -0.72 3.96 0.06 2.91 0.04 -1.26 -4.94 135.00 135.05 1ypg s PRO 152 Ca 0.07 0.89 0.01 0.00 0.04 0.00 0.00 61.00 62.01 1ypg s PRO 152 Cb -0.08 -2.19 -0.25 0.00 0.04 0.00 0.00 34.50 32.01 1ypg s PRO 152 CO 0.00 -0.19 1.09 1.03 0.04 0.00 0.00 177.00 178.97 1ypg h SER 153 N 1.13 0.24 -4.64 6.66 0.87 -1.97 -3.43 113.55 112.41 1ypg h SER 153 Ca -0.47 -0.29 -0.41 0.00 -1.23 0.00 0.00 61.79 59.39 1ypg h SER 153 Cb 1.18 -0.08 -0.14 0.00 -0.44 0.00 0.00 62.40 62.92 1ypg h SER 153 CO 0.62 1.23 -0.57 0.68 -0.53 0.00 0.00 176.83 178.26 1ypg s VAL 154 N -2.66 0.38 0.17 2.23 -7.23 -1.26 -1.67 120.40 110.36 1ypg s VAL 154 Ca -0.03 -2.00 -0.33 0.00 -1.81 0.00 0.00 61.98 57.80 1ypg s VAL 154 Cb 0.08 -2.53 -0.15 0.00 0.56 0.00 0.00 36.38 34.34 1ypg s VAL 154 CO 0.85 0.00 1.38 -0.11 -0.31 0.00 0.00 175.10 176.91 1ypg n LEU 155 N -0.57 2.46 -4.76 1.32 7.94 0.25 -4.83 117.00 118.80 1ypg n LEU 155 Ca 0.01 1.12 -0.27 0.00 -1.11 0.00 0.00 56.01 55.76 1ypg n LEU 155 Cb 0.65 -1.33 -0.06 0.00 0.53 0.00 0.00 43.42 43.21 1ypg n LEU 155 CO 0.35 -0.73 -0.25 -1.10 -1.11 0.00 0.00 177.39 174.55 1ypg s GLN 156 N 0.12 2.77 -0.02 1.96 -1.52 -0.93 0.66 119.66 122.71 1ypg s GLN 156 Ca 0.75 -0.91 -0.03 0.00 -1.95 0.00 0.00 55.36 53.22 1ypg s GLN 156 Cb -0.76 -2.58 0.00 0.00 -0.22 0.00 0.00 33.01 29.45 1ypg s GLN 156 CO 0.47 0.49 0.08 0.54 -0.25 0.00 0.00 175.29 176.61 1ypg s VAL 157 N -1.70 0.02 -0.14 1.09 0.11 0.58 -2.49 120.40 117.87 1ypg s VAL 157 Ca 0.30 -0.20 -0.12 0.00 -2.93 0.00 0.00 61.98 59.03 1ypg s VAL 157 Cb -0.10 -0.19 0.04 0.00 -1.53 0.00 0.00 36.38 34.60 1ypg s VAL 157 CO 0.22 -0.11 0.36 0.54 -3.33 0.00 0.00 175.10 172.78 1ypg s VAL 158 N -0.33 -0.01 -0.09 2.04 0.11 -0.68 -0.47 120.40 120.97 1ypg s VAL 158 Ca -0.04 0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 58.97 1ypg s VAL 158 Cb -0.03 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 1ypg s VAL 158 CO 0.00 0.01 0.16 0.20 -3.33 0.00 0.00 175.10 172.14 1ypg s ASN 159 N 0.41 6.40 -0.02 3.54 0.01 -1.26 -1.25 114.94 122.77 1ypg s ASN 159 Ca -0.02 0.45 -0.01 0.00 -0.71 0.00 0.00 52.86 52.57 1ypg s ASN 159 Cb -0.04 -2.06 0.01 0.00 0.41 0.00 0.00 41.25 39.57 1ypg s ASN 159 CO -0.02 0.37 0.05 -0.76 -1.51 0.00 0.00 177.10 175.23 1ypg s LEU 160 N -1.29 1.71 0.33 0.60 1.43 -0.34 -4.97 118.68 116.15 1ypg s LEU 160 Ca 0.19 0.09 -0.26 0.00 -1.03 0.00 0.00 54.13 53.12 1ypg s LEU 160 Cb -0.12 0.14 -0.10 0.00 0.03 0.00 0.00 46.19 46.14 1ypg s LEU 160 CO 0.08 -0.03 0.98 -2.16 0.23 0.00 0.00 176.35 175.45 1ypg s PRO 161 N 0.17 4.52 0.46 1.29 0.04 -1.26 -1.12 135.00 139.10 1ypg s PRO 161 Ca -0.01 1.42 -0.24 0.00 0.04 0.00 0.00 61.00 62.21 1ypg s PRO 161 Cb -0.02 -2.81 -0.07 0.00 0.04 0.00 0.00 34.50 31.63 1ypg s PRO 161 CO -0.01 0.20 1.24 0.42 0.04 0.00 0.00 177.00 178.90 1ypg s ILE 162 N -1.56 2.76 0.03 0.56 1.01 -0.06 -0.48 121.20 123.47 1ypg s ILE 162 Ca 0.51 0.60 0.06 0.00 0.00 0.00 0.00 60.65 61.82 1ypg s ILE 162 Cb -0.21 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 1ypg s ILE 162 CO 0.27 0.03 -0.15 -0.69 0.00 0.00 0.00 174.94 174.39 1ypg s VAL 163 N -1.40 2.99 0.28 2.92 1.01 -0.49 -0.70 120.40 125.01 1ypg s VAL 163 Ca 0.63 -1.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 1ypg s VAL 163 Cb -0.34 -2.27 -0.14 0.00 0.00 0.00 0.00 36.38 33.64 1ypg s VAL 163 CO 0.42 0.35 1.22 -0.62 0.00 0.00 0.00 175.10 176.47 1ypg n GLU 164 N 1.54 1.75 -0.35 2.72 4.71 -1.26 -4.64 120.64 125.11 1ypg n GLU 164 Ca -0.16 0.62 0.06 0.00 -0.01 0.00 0.00 57.16 57.67 1ypg n GLU 164 Cb 0.52 -2.15 0.22 0.00 -1.01 0.00 0.00 31.44 29.02 1ypg n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ypg h ARG 165 N 2.95 0.97 -0.86 3.49 3.08 -1.98 -1.78 114.38 120.25 1ypg h ARG 165 Ca -0.43 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 59.56 1ypg h ARG 165 Cb 1.31 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 31.09 1ypg h ARG 165 CO 0.67 0.64 0.57 -1.35 -1.07 0.00 0.00 179.97 179.42 1ypg h PRO 166 N 1.00 1.13 -0.45 0.04 0.11 -2.00 -1.11 132.00 130.72 1ypg h PRO 166 Ca 0.47 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.41 1ypg h PRO 166 Cb 0.41 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 1ypg h PRO 166 CO -0.25 0.75 -0.12 0.28 -0.21 0.00 0.00 178.00 178.45 1ypg h VAL 167 N 1.17 1.26 0.02 3.15 2.07 -1.70 -0.86 116.25 121.36 1ypg h VAL 167 Ca 0.31 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1ypg h VAL 167 Cb -0.13 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1ypg h VAL 167 CO -0.07 0.42 -0.01 0.00 0.02 0.00 0.00 177.57 177.93 1ypg h LYS 169 N -0.12 1.17 0.00 0.00 2.10 -1.02 -2.66 116.57 116.04 1ypg h LYS 169 Ca -0.00 -0.20 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1ypg h LYS 169 Cb 0.11 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.25 1ypg h LYS 169 CO 0.00 0.93 0.00 -0.25 -2.00 0.00 0.00 179.45 178.14 1ypg n ASP 170 N -4.31 0.00 -0.00 7.07 8.00 -0.34 -2.84 116.55 124.12 1ypg n ASP 170 Ca 0.07 0.42 0.12 0.00 0.71 0.00 0.00 54.79 56.12 1ypg n ASP 170 Cb 0.17 -0.47 0.27 0.00 -0.02 0.00 0.00 41.12 41.07 1ypg n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ypg n SER 171 N -1.47 0.47 -4.00 -2.24 3.41 -0.98 -4.95 113.62 103.86 1ypg n SER 171 Ca 0.06 -0.20 -0.08 0.00 -0.26 0.00 0.00 58.87 58.38 1ypg n SER 171 Cb 0.22 0.20 -0.09 0.00 -0.26 0.00 0.00 64.21 64.29 1ypg n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ypg s THR 172 N -3.00 0.18 -0.41 6.66 -1.32 -1.13 -4.84 115.64 111.78 1ypg s THR 172 Ca 0.11 -1.49 0.23 0.00 -1.21 0.00 0.00 61.69 59.34 1ypg s THR 172 Cb 0.18 -1.30 0.07 0.00 -1.51 0.00 0.00 72.50 69.94 1ypg s THR 172 CO 0.69 -0.82 1.23 0.03 -2.21 0.00 0.00 174.62 173.54 1ypg h ARG 173 N 3.23 0.00 -6.92 7.08 3.08 -1.93 -3.47 114.38 115.44 1ypg h ARG 173 Ca -0.34 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.18 1ypg h ARG 173 Cb 1.17 0.00 0.09 0.00 0.08 0.00 0.00 29.97 31.31 1ypg h ARG 173 CO 0.60 0.00 0.73 0.42 -1.07 0.00 0.00 179.97 180.64 1ypg s ILE 174 N -3.27 2.29 -0.29 2.04 -1.09 -1.26 -4.96 121.20 114.65 1ypg s ILE 174 Ca 0.03 0.29 -0.29 0.00 -2.23 0.00 0.00 60.65 58.45 1ypg s ILE 174 Cb 0.10 -3.18 -0.00 0.00 -1.58 0.00 0.00 42.46 37.79 1ypg s ILE 174 CO 0.75 0.07 1.40 -0.60 -1.23 0.00 0.00 174.94 175.32 1ypg s ARG 175 N -2.01 3.84 0.12 2.79 3.52 -1.26 -5.01 118.95 120.95 1ypg s ARG 175 Ca 0.52 1.31 -0.21 0.00 -0.13 0.00 0.00 55.73 57.22 1ypg s ARG 175 Cb -0.44 -3.94 -0.07 0.00 -1.56 0.00 0.00 34.95 28.94 1ypg s ARG 175 CO 0.59 -1.23 0.65 0.42 -0.81 0.00 0.00 175.30 174.93 1ypg s ILE 176 N 4.74 4.60 0.34 4.11 -1.09 -1.26 -4.92 121.20 127.72 1ypg s ILE 176 Ca 0.61 1.36 0.09 0.00 -2.23 0.00 0.00 60.65 60.48 1ypg s ILE 176 Cb -0.18 -3.96 -0.06 0.00 -1.58 0.00 0.00 42.46 36.67 1ypg s ILE 176 CO 0.26 0.49 -0.04 0.42 -1.23 0.00 0.00 174.94 174.84 1ypg s THR 177 N -1.19 2.44 -0.31 2.92 -4.23 -1.26 -5.02 115.64 108.99 1ypg s THR 177 Ca 0.33 -2.09 0.25 0.00 -1.18 0.00 0.00 61.69 59.00 1ypg s THR 177 Cb -0.20 -2.72 0.27 0.00 1.34 0.00 0.00 72.50 71.19 1ypg s THR 177 CO 0.22 -0.20 1.76 0.44 -0.54 0.00 0.00 174.62 176.29 1ypg h ASP 178 N 1.92 0.00 -0.11 3.99 3.32 -2.03 -1.94 116.42 121.57 1ypg h ASP 178 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1ypg h ASP 178 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1ypg h ASP 178 CO 0.68 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.79 1ypg n ASN 179 N -2.38 1.11 -4.07 6.45 3.02 -1.26 -4.87 115.26 113.27 1ypg n ASN 179 Ca 0.01 -2.06 -0.14 0.00 -0.03 0.00 0.00 54.58 52.35 1ypg n ASN 179 Cb 0.19 -0.26 -0.12 0.00 -0.61 0.00 0.00 39.78 38.98 1ypg n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ypg s MET 180 N -1.62 0.57 0.13 3.52 -1.94 -0.73 -1.03 119.30 118.20 1ypg s MET 180 Ca 0.09 -0.72 -0.00 0.00 -1.71 0.00 0.00 55.69 53.34 1ypg s MET 180 Cb 0.05 -0.40 -0.04 0.00 2.01 0.00 0.00 34.83 36.45 1ypg s MET 180 CO 0.04 0.08 0.04 -0.59 -0.01 0.00 0.00 175.02 174.58 1ypg s PHE 181 N -1.21 0.90 0.18 -0.03 -0.12 -0.06 -4.83 117.98 112.81 1ypg s PHE 181 Ca -0.07 -1.17 0.10 0.00 -0.05 0.00 0.00 56.93 55.73 1ypg s PHE 181 Cb -0.09 -0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 41.74 1ypg s PHE 181 CO 0.01 -0.44 -0.21 0.00 -0.05 0.00 0.00 175.22 174.53 1ypg s ALA 183 N -1.90 -0.27 0.00 0.00 0.00 0.10 -1.40 121.76 118.29 1ypg s ALA 183 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1ypg s ALA 183 Cb -0.07 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1ypg s ALA 183 CO 0.08 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1ypg n GLY 184 N 0.54 4.04 3.86 0.00 0.00 0.37 -2.07 105.19 111.92 1ypg n GLY 184 Ca -0.18 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 1ypg n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ypg s TYR 184 N -2.00 3.42 0.53 1.61 2.02 -1.26 -4.52 117.35 117.15 1ypg s TYR 184 Ca 0.00 1.09 -0.09 0.00 -0.37 0.00 0.00 57.07 57.70 1ypg s TYR 184 Cb 0.00 -2.46 -0.05 0.00 -0.40 0.00 0.00 41.96 39.06 1ypg s TYR 184 CO 0.00 0.02 0.90 0.15 -1.57 0.00 0.00 175.55 175.05 1ypg s LYS 185 N -3.37 3.63 0.31 -0.62 1.02 -1.26 -4.81 119.74 114.65 1ypg s LYS 185 Ca 0.52 0.52 0.04 0.00 0.02 0.00 0.00 55.97 57.07 1ypg s LYS 185 Cb -0.10 -2.24 0.65 0.00 -0.52 0.00 0.00 37.83 35.61 1ypg s LYS 185 CO 0.24 -0.33 1.87 -1.35 -0.92 0.00 0.00 175.35 174.86 1ypg h PRO 186 N 0.22 0.87 0.00 -1.68 0.11 -1.96 -1.50 132.00 128.06 1ypg h PRO 186 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ypg h PRO 186 Cb 1.19 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1ypg h PRO 186 CO 0.62 0.57 0.00 -0.44 -0.21 0.00 0.00 178.00 178.54 1ypg h ASP 186 N 0.89 0.00 0.56 -2.05 5.19 -1.96 -2.53 116.42 116.52 1ypg h ASP 186 Ca 0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.86 1ypg h ASP 186 Cb 0.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1ypg h ASP 186 CO -0.21 0.00 -0.49 -0.62 -3.12 0.00 0.00 179.24 174.80 1ypg n GLU 186 N -2.59 0.03 0.00 3.56 1.02 -0.56 -4.94 120.64 117.15 1ypg n GLU 186 Ca -0.01 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ypg n GLU 186 Cb 0.13 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1ypg n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ypg n GLY 186 N 1.49 1.15 3.89 0.62 0.00 -0.95 -4.94 105.19 106.43 1ypg n GLY 186 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1ypg n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypg s LYS 186 N 0.00 3.36 0.35 1.61 1.02 -1.26 -5.07 119.74 119.75 1ypg s LYS 186 Ca 0.00 0.42 0.01 0.00 0.02 0.00 0.00 55.97 56.43 1ypg s LYS 186 Cb 0.00 -2.19 -0.01 0.00 -0.52 0.00 0.00 37.83 35.11 1ypg s LYS 186 CO 0.00 -0.55 0.05 0.54 -0.92 0.00 0.00 175.35 174.47 1ypg n ARG 187 N -2.62 0.89 0.00 1.68 1.74 -1.26 -4.66 116.66 112.44 1ypg n ARG 187 Ca 0.04 -2.70 0.00 0.00 -0.77 0.00 0.00 57.85 54.43 1ypg n ARG 187 Cb 0.55 1.05 0.00 0.00 -1.02 0.00 0.00 32.46 33.04 1ypg n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ypg n GLY 188 N 0.24 4.05 3.49 -0.13 0.00 -1.26 -4.91 105.19 106.67 1ypg n GLY 188 Ca -0.11 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 1ypg n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ypg s ASP 189 N 0.00 -0.46 0.88 1.61 -1.08 -1.05 -4.60 116.67 111.96 1ypg s ASP 189 Ca 0.00 0.11 -0.12 0.00 -0.52 0.00 0.00 52.55 52.02 1ypg s ASP 189 Cb 0.00 0.46 0.12 0.00 -1.46 0.00 0.00 42.92 42.04 1ypg s ASP 189 CO 0.00 -0.70 1.12 0.00 0.52 0.00 0.00 175.17 176.11 1ypg s ALA 190 N -2.92 1.90 0.16 3.66 0.00 -1.26 -0.08 121.76 123.22 1ypg s ALA 190 Ca 0.01 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.51 1ypg s ALA 190 Cb -0.01 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 20.07 1ypg s ALA 190 CO -0.07 -2.12 0.31 0.00 0.00 0.00 0.00 175.76 173.88 1ypg n GLU 192 N -0.21 1.70 -0.05 0.00 2.13 -1.26 -0.62 120.64 122.32 1ypg n GLU 192 Ca -0.03 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.40 1ypg n GLU 192 Cb 0.24 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.60 1ypg n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ypg n GLY 193 N 3.32 0.89 0.04 8.31 0.00 -1.26 0.24 105.19 116.72 1ypg n GLY 193 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1ypg n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ypg n ASP 194 N 0.00 0.55 -4.57 1.61 8.00 0.20 -3.71 116.55 118.63 1ypg n ASP 194 Ca 0.00 -0.15 -0.48 0.00 0.71 0.00 0.00 54.79 54.87 1ypg n ASP 194 Cb 0.00 0.99 -0.03 0.00 -0.02 0.00 0.00 41.12 42.06 1ypg n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ypg n SER 195 N -2.09 1.23 0.00 -2.24 7.64 -1.26 -1.94 113.62 114.96 1ypg n SER 195 Ca 0.01 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1ypg n SER 195 Cb 0.47 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1ypg n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ypg n GLY 196 N 1.85 2.07 3.83 0.23 0.00 -0.39 0.17 105.19 112.94 1ypg n GLY 196 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1ypg n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ypg s GLY 197 N -1.96 1.59 0.19 -0.02 0.00 -0.82 -3.08 107.32 103.22 1ypg s GLY 197 Ca 0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 44.72 44.09 1ypg s GLY 197 CO 0.00 0.02 0.61 2.56 0.00 0.00 0.00 173.10 176.29 1ypg s PRO 198 N -5.33 4.03 -0.39 2.90 0.04 -1.26 -0.44 135.00 134.54 1ypg s PRO 198 Ca 0.62 0.58 -0.10 0.00 0.04 0.00 0.00 61.00 62.13 1ypg s PRO 198 Cb -0.13 -2.86 0.05 0.00 0.04 0.00 0.00 34.50 31.60 1ypg s PRO 198 CO 0.52 0.42 0.23 0.12 0.04 0.00 0.00 177.00 178.33 1ypg s PHE 199 N -1.55 3.28 0.26 0.56 2.19 0.06 -3.67 117.98 119.11 1ypg s PHE 199 Ca 0.41 -1.20 0.10 0.00 0.33 0.00 0.00 56.93 56.57 1ypg s PHE 199 Cb -0.15 -2.66 -0.04 0.00 -1.31 0.00 0.00 43.02 38.86 1ypg s PHE 199 CO 0.20 -0.74 -0.06 0.14 1.83 0.00 0.00 175.22 176.59 1ypg s VAL 200 N 1.50 3.19 0.01 3.12 -7.23 -0.16 -1.16 120.40 119.66 1ypg s VAL 200 Ca 0.02 -2.02 -0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1ypg s VAL 200 Cb -0.21 -2.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.04 1ypg s VAL 200 CO 0.05 -0.36 -0.00 -0.04 -0.31 0.00 0.00 175.10 174.43 1ypg s MET 201 N -3.57 0.14 -0.41 4.82 -1.94 0.37 0.10 119.30 118.81 1ypg s MET 201 Ca 0.31 -0.25 -0.15 0.00 -1.71 0.00 0.00 55.69 53.88 1ypg s MET 201 Cb -0.06 0.05 0.02 0.00 2.01 0.00 0.00 34.83 36.85 1ypg s MET 201 CO 0.18 -0.02 0.32 0.21 -0.01 0.00 0.00 175.02 175.70 1ypg s LYS 202 N -0.62 3.01 0.21 2.03 2.20 -1.26 -0.73 119.74 124.57 1ypg s LYS 202 Ca -0.07 -0.97 -0.31 0.00 -0.36 0.00 0.00 55.97 54.26 1ypg s LYS 202 Cb -0.04 -3.97 -0.11 0.00 -1.51 0.00 0.00 37.83 32.19 1ypg s LYS 202 CO -0.00 -0.76 1.62 0.45 -0.36 0.00 0.00 175.35 176.30 1ypg s SER 203 N 1.70 6.47 0.00 1.43 0.15 0.08 -4.87 113.70 118.67 1ypg s SER 203 Ca 0.06 2.78 0.30 0.00 0.70 0.00 0.00 55.95 59.79 1ypg s SER 203 Cb -0.19 -2.61 1.38 0.00 -1.71 0.00 0.00 66.02 62.90 1ypg s SER 203 CO 0.11 -0.89 1.97 -0.81 1.20 0.00 0.00 173.24 174.82 1ypg n PRO 204 N 3.52 0.39 -0.04 5.44 -0.04 -1.26 -0.91 135.00 142.11 1ypg n PRO 204 Ca 0.13 -0.05 -0.20 0.00 -0.04 0.00 0.00 63.50 63.34 1ypg n PRO 204 Cb 0.37 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 1ypg n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1ypg h PHE 204 N 0.11 0.24 0.00 0.54 0.04 -1.97 -3.41 116.94 112.49 1ypg h PHE 204 Ca 0.00 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1ypg h PHE 204 Cb 0.34 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1ypg h PHE 204 CO 0.00 1.43 0.00 0.27 -0.60 0.00 0.00 178.31 179.41 1ypg n ASN 204 N -4.20 1.76 -1.65 2.17 0.23 -1.25 -5.01 115.26 107.31 1ypg n ASN 204 Ca -0.24 -1.82 -0.19 0.00 -0.53 0.00 0.00 54.58 51.80 1ypg n ASN 204 Cb 0.76 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.40 1ypg n ASN 204 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ypg n ASN 205 N -0.41 -5.35 -4.81 0.53 3.02 -0.08 -4.98 115.26 103.17 1ypg n ASN 205 Ca 0.00 0.35 -0.31 0.00 -0.03 0.00 0.00 54.58 54.59 1ypg n ASN 205 Cb 0.24 -4.50 -0.06 0.00 -0.61 0.00 0.00 39.78 34.85 1ypg n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ypg s ARG 206 N -3.96 3.03 -0.02 3.52 0.52 -1.25 -4.81 118.95 115.98 1ypg s ARG 206 Ca 0.00 -0.60 -0.27 0.00 -0.52 0.00 0.00 55.73 54.34 1ypg s ARG 206 Cb 0.00 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 1ypg s ARG 206 CO 0.00 0.59 0.83 -1.58 0.02 0.00 0.00 175.30 175.16 1ypg s TRP 207 N -1.39 3.64 -0.08 -0.53 0.52 -1.26 -0.74 118.94 119.10 1ypg s TRP 207 Ca 0.30 1.48 0.04 0.00 0.02 0.00 0.00 56.10 57.94 1ypg s TRP 207 Cb -0.12 -2.95 -0.01 0.00 -1.15 0.00 0.00 33.47 29.24 1ypg s TRP 207 CO 0.22 0.07 -0.21 0.71 0.02 0.00 0.00 176.95 177.76 1ypg s TYR 208 N 0.77 2.56 -0.44 -1.98 2.02 0.09 -1.73 117.35 118.65 1ypg s TYR 208 Ca 0.44 -0.70 -0.20 0.00 -0.37 0.00 0.00 57.07 56.25 1ypg s TYR 208 Cb -0.20 -1.67 0.02 0.00 -0.40 0.00 0.00 41.96 39.72 1ypg s TYR 208 CO 0.23 -0.20 0.59 -1.14 -1.57 0.00 0.00 175.55 173.46 1ypg s GLN 209 N -0.05 3.23 0.04 -0.62 0.74 -0.08 -0.48 119.66 122.44 1ypg s GLN 209 Ca -0.06 -0.48 0.16 0.00 0.05 0.00 0.00 55.36 55.04 1ypg s GLN 209 Cb -0.15 -3.96 -0.15 0.00 1.10 0.00 0.00 33.01 29.86 1ypg s GLN 209 CO 0.05 -0.98 0.78 -1.33 -0.55 0.00 0.00 175.29 173.26 1ypg n MET 210 N 6.10 0.62 -4.13 1.67 2.81 -0.31 -4.38 117.12 119.51 1ypg n MET 210 Ca -0.03 0.22 -0.09 0.00 -1.81 0.00 0.00 57.70 55.99 1ypg n MET 210 Cb 0.48 -1.80 -0.10 0.00 -0.71 0.00 0.00 33.22 31.09 1ypg n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ypg s GLY 211 N -4.84 0.78 -0.09 3.03 0.00 -0.73 -1.61 107.32 103.86 1ypg s GLY 211 Ca -0.03 -1.37 0.03 0.00 0.00 0.00 0.00 44.72 43.35 1ypg s GLY 211 CO 0.81 -1.35 -0.18 -0.42 0.00 0.00 0.00 173.10 171.96 1ypg s ILE 212 N -3.98 1.60 -0.10 0.90 1.01 -1.04 -0.76 121.20 118.83 1ypg s ILE 212 Ca 0.17 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.78 1ypg s ILE 212 Cb 0.08 -1.41 -0.08 0.00 0.01 0.00 0.00 42.46 41.05 1ypg s ILE 212 CO -0.03 0.46 2.08 0.52 0.00 0.00 0.00 174.94 177.97 1ypg n VAL 213 N 3.73 0.55 0.01 2.92 0.31 0.42 -1.23 118.33 125.03 1ypg n VAL 213 Ca -0.21 -0.27 -0.02 0.00 -0.01 0.00 0.00 64.34 63.82 1ypg n VAL 213 Cb 0.52 -2.34 -0.01 0.00 -0.91 0.00 0.00 33.84 31.11 1ypg n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ypg n SER 214 N 9.27 0.90 -3.78 4.52 2.88 -0.84 -1.27 113.62 125.30 1ypg n SER 214 Ca 0.26 0.13 -0.09 0.00 -1.33 0.00 0.00 58.87 57.83 1ypg n SER 214 Cb 0.40 -0.30 -0.03 0.00 -0.75 0.00 0.00 64.21 63.53 1ypg n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ypg s TRP 215 N -2.11 -0.11 0.14 0.66 1.48 -1.00 -4.95 118.94 113.04 1ypg s TRP 215 Ca -0.05 -0.26 -0.24 0.00 -1.06 0.00 0.00 56.10 54.49 1ypg s TRP 215 Cb 0.01 0.48 0.08 0.00 -1.16 0.00 0.00 33.47 32.89 1ypg s TRP 215 CO 0.07 -1.03 1.07 0.20 -4.06 0.00 0.00 176.95 173.20 1ypg s GLY 216 N -2.90 -0.06 -0.37 3.67 0.00 -1.26 -0.89 107.32 105.52 1ypg s GLY 216 Ca 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.74 1ypg s GLY 216 CO 0.01 1.78 0.13 -0.54 0.00 0.00 0.00 173.10 174.48 1ypg s GLU 217 N -2.48 2.09 1.76 2.90 2.02 -1.26 -4.98 118.70 118.76 1ypg s GLU 217 Ca 0.19 -1.65 0.00 0.00 0.02 0.00 0.00 54.97 53.54 1ypg s GLU 217 Cb -0.01 -3.43 0.00 0.00 0.10 0.00 0.00 34.13 30.79 1ypg s GLU 217 CO 0.03 -0.92 0.00 0.41 0.02 0.00 0.00 175.26 174.80 1ypg n GLY 219 N 4.58 -1.39 2.75 -1.39 0.00 -1.26 -4.72 105.19 103.75 1ypg n GLY 219 Ca -0.05 -1.27 -0.17 0.00 0.00 0.00 0.00 46.02 44.53 1ypg n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ypg n ASP 221 N 4.56 -5.83 -4.77 0.00 2.03 -1.26 -4.56 116.55 106.73 1ypg n ASP 221 Ca -0.20 -0.57 -0.40 0.00 0.52 0.00 0.00 54.79 54.15 1ypg n ASP 221 Cb 0.50 -4.94 -0.06 0.00 -0.72 0.00 0.00 41.12 35.91 1ypg n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ypg s ARG 221 N -6.26 4.53 0.19 -0.67 0.52 -1.26 -4.94 118.95 111.06 1ypg s ARG 221 Ca 0.54 1.11 -0.33 0.00 -0.52 0.00 0.00 55.73 56.53 1ypg s ARG 221 Cb -0.24 -3.30 -0.14 0.00 0.52 0.00 0.00 34.95 31.79 1ypg s ARG 221 CO 0.74 0.46 1.43 -0.25 0.02 0.00 0.00 175.30 177.69 1ypg n ASP 222 N 2.08 2.59 0.00 0.23 9.92 -1.26 -1.91 116.55 128.19 1ypg n ASP 222 Ca -0.04 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.34 1ypg n ASP 222 Cb 0.49 -1.38 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 1ypg n ASP 222 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ypg n GLY 223 N 2.57 1.21 3.47 0.44 0.00 -1.26 -5.03 105.19 106.59 1ypg n GLY 223 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1ypg n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypg s LYS 224 N -0.18 1.70 0.06 1.61 -0.14 -0.80 -4.76 119.74 117.22 1ypg s LYS 224 Ca 0.00 -1.38 0.07 0.00 -1.36 0.00 0.00 55.97 53.30 1ypg s LYS 224 Cb 0.00 -1.98 -0.03 0.00 -1.68 0.00 0.00 37.83 34.14 1ypg s LYS 224 CO 0.00 0.43 -0.20 0.71 -0.76 0.00 0.00 175.35 175.53 1ypg s TYR 225 N -1.54 1.73 0.29 3.18 2.02 -1.26 -4.63 117.35 117.14 1ypg s TYR 225 Ca 0.21 -0.38 -0.29 0.00 -0.37 0.00 0.00 57.07 56.23 1ypg s TYR 225 Cb -0.09 -1.01 -0.10 0.00 -0.40 0.00 0.00 41.96 40.36 1ypg s TYR 225 CO 0.11 0.11 1.19 0.20 -1.57 0.00 0.00 175.55 175.59 1ypg s GLY 226 N -1.33 3.00 0.02 0.71 0.00 -0.88 -4.66 107.32 104.19 1ypg s GLY 226 Ca 0.06 1.04 0.03 0.00 0.00 0.00 0.00 44.72 45.86 1ypg s GLY 226 CO 0.02 1.69 -0.04 -1.36 0.00 0.00 0.00 173.10 173.41 1ypg s PHE 227 N -1.04 2.94 -0.04 1.90 0.40 -0.06 -0.72 117.98 121.35 1ypg s PHE 227 Ca 0.47 -0.02 0.02 0.00 -0.60 0.00 0.00 56.93 56.80 1ypg s PHE 227 Cb -0.35 -1.60 0.01 0.00 0.51 0.00 0.00 43.02 41.60 1ypg s PHE 227 CO 0.45 0.42 -0.07 0.71 0.70 0.00 0.00 175.22 177.42 1ypg s TYR 228 N -1.09 0.93 0.20 0.36 1.51 0.31 -1.98 117.35 117.60 1ypg s TYR 228 Ca 0.19 -0.27 -0.32 0.00 -1.01 0.00 0.00 57.07 55.67 1ypg s TYR 228 Cb -0.11 -0.72 -0.12 0.00 -0.11 0.00 0.00 41.96 40.90 1ypg s TYR 228 CO 0.10 -0.16 1.70 0.99 -1.11 0.00 0.00 175.55 177.06 1ypg s THR 229 N 0.57 2.13 -0.71 -0.71 2.01 -0.37 -0.88 115.64 117.67 1ypg s THR 229 Ca -0.09 0.09 -0.24 0.00 0.31 0.00 0.00 61.69 61.76 1ypg s THR 229 Cb -0.12 -3.06 0.06 0.00 0.01 0.00 0.00 72.50 69.39 1ypg s THR 229 CO 0.01 0.01 1.10 -2.28 -0.69 0.00 0.00 174.62 172.77 1ypg s HIS 230 N 1.15 2.55 0.13 4.92 2.46 -0.20 -2.48 115.29 123.82 1ypg s HIS 230 Ca 0.74 -0.43 -0.19 0.00 0.47 0.00 0.00 55.06 55.65 1ypg s HIS 230 Cb -0.49 -4.43 -0.05 0.00 -0.13 0.00 0.00 32.58 27.49 1ypg s HIS 230 CO 0.32 -1.80 1.75 0.28 -2.47 0.00 0.00 174.74 172.82 1ypg h VAL 231 N 6.02 0.97 -0.60 0.89 2.07 -1.60 -2.53 116.25 121.47 1ypg h VAL 231 Ca -0.25 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1ypg h VAL 231 Cb 1.06 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1ypg h VAL 231 CO 1.22 0.03 0.40 0.15 0.02 0.00 0.00 177.57 179.40 1ypg h PHE 232 N 0.19 0.67 0.00 1.57 3.57 -1.86 0.76 116.94 121.84 1ypg h PHE 232 Ca 0.09 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1ypg h PHE 232 Cb 0.04 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1ypg h PHE 232 CO -0.11 0.39 -0.16 0.00 -2.23 0.00 0.00 178.31 176.20 1ypg h ARG 233 N 0.70 0.00 -0.32 1.11 2.47 -1.83 -2.11 114.38 114.39 1ypg h ARG 233 Ca 0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1ypg h ARG 233 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1ypg h ARG 233 CO -0.07 0.16 0.00 1.28 0.56 0.00 0.00 179.97 181.91 1ypg n LEU 234 N -3.82 3.68 0.10 3.04 4.77 0.19 -4.61 117.00 120.35 1ypg n LEU 234 Ca -0.02 -2.64 0.03 0.00 -0.03 0.00 0.00 56.01 53.35 1ypg n LEU 234 Cb 0.26 -0.45 0.41 0.00 -2.33 0.00 0.00 43.42 41.31 1ypg n LEU 234 CO 0.32 0.70 0.94 0.50 -1.33 0.00 0.00 177.39 178.52 1ypg h LYS 235 N 2.08 0.28 -0.56 3.23 1.63 -0.64 -1.79 116.57 120.81 1ypg h LYS 235 Ca 0.00 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.78 1ypg h LYS 235 Cb 1.22 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.77 1ypg h LYS 235 CO 0.16 0.36 0.32 0.87 -3.45 0.00 0.00 179.45 177.71 1ypg h LYS 236 N 0.27 0.61 -0.56 1.90 1.57 -1.81 0.49 116.57 119.04 1ypg h LYS 236 Ca 0.06 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1ypg h LYS 236 Cb 0.29 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1ypg h LYS 236 CO 0.01 0.40 0.10 2.35 -0.57 0.00 0.00 179.45 181.75 1ypg h TRP 237 N 0.62 0.97 -0.40 -1.35 7.01 -1.75 -1.68 115.95 119.36 1ypg h TRP 237 Ca 0.23 -0.13 0.03 0.00 2.11 0.00 0.00 58.89 61.14 1ypg h TRP 237 Cb 0.07 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 26.83 1ypg h TRP 237 CO -0.07 0.85 0.19 0.82 -2.79 0.00 0.00 178.44 177.44 1ypg h ILE 238 N 0.81 0.96 -0.51 2.65 2.04 -0.70 -1.71 117.51 121.05 1ypg h ILE 238 Ca 0.17 -0.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.77 1ypg h ILE 238 Cb 0.39 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1ypg h ILE 238 CO 0.01 0.07 -0.16 1.56 0.00 0.00 0.00 178.15 179.63 1ypg h GLN 239 N 0.39 1.01 -0.74 2.37 4.20 -0.78 -1.97 115.11 119.60 1ypg h GLN 239 Ca 0.17 -0.40 0.02 0.00 0.06 0.00 0.00 58.65 58.50 1ypg h GLN 239 Cb 0.09 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1ypg h GLN 239 CO -0.13 1.08 0.48 -0.22 -0.67 0.00 0.00 178.83 179.37 1ypg h LYS 240 N 0.89 0.93 0.31 1.46 3.64 -1.16 0.43 116.57 123.05 1ypg h LYS 240 Ca 0.13 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1ypg h LYS 240 Cb 0.73 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1ypg h LYS 240 CO 0.06 0.61 -0.15 0.28 -2.27 0.00 0.00 179.45 177.98 1ypg h VAL 241 N 0.95 0.70 -0.18 2.00 2.07 -1.05 -2.11 116.25 118.64 1ypg h VAL 241 Ca 0.29 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 1ypg h VAL 241 Cb -0.04 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1ypg h VAL 241 CO -0.09 0.11 -0.30 0.40 0.02 0.00 0.00 177.57 177.72 1ypg h ILE 242 N -0.73 1.27 0.00 4.57 2.04 -1.26 0.18 117.51 123.58 1ypg h ILE 242 Ca -0.04 -1.29 -0.12 0.00 1.00 0.00 0.00 64.86 64.40 1ypg h ILE 242 Cb 0.49 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1ypg h ILE 242 CO 0.07 0.40 -0.58 0.44 0.00 0.00 0.00 178.15 178.47 1ypg h ASP 243 N 0.30 0.00 0.66 1.72 3.45 -0.14 -3.14 116.42 119.28 1ypg h ASP 243 Ca 0.04 0.00 -0.27 0.00 0.43 0.00 0.00 57.03 57.23 1ypg h ASP 243 Cb 0.68 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.45 1ypg h ASP 243 CO 0.05 0.58 -1.28 -0.61 -1.57 0.00 0.00 179.24 176.41 1ypg h GLN 244 N 0.00 0.20 0.00 3.56 4.15 -1.02 -3.51 115.11 118.50 1ypg h GLN 244 Ca -0.01 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 59.07 1ypg h GLN 244 Cb 1.06 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1ypg h GLN 244 CO 0.08 1.12 0.00 1.19 -1.93 0.00 0.00 178.83 179.29