#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pgb s VAL 17 N 0.00 5.31 -1.60 1.39 1.01 0.29 -4.17 120.40 122.63 2pgb s VAL 17 Ca 0.00 0.53 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 2pgb s VAL 17 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2pgb s VAL 17 CO 0.00 0.41 0.34 -0.62 0.00 0.00 0.00 175.10 175.22 2pgb n GLU 18 N 3.46 -3.41 0.00 2.72 -0.58 -1.26 -1.66 120.64 119.91 2pgb n GLU 18 Ca -0.12 0.92 0.00 0.00 -0.42 0.00 0.00 57.16 57.54 2pgb n GLU 18 Cb 0.52 -5.65 0.00 0.00 -0.57 0.00 0.00 31.44 25.74 2pgb n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pgb n GLY 19 N -1.30 2.43 3.30 0.62 0.00 -1.26 -4.63 105.19 104.35 2pgb n GLY 19 Ca -0.17 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 43.74 2pgb n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pgb s SER 20 N -0.80 0.10 0.24 1.61 1.04 -0.26 -4.93 113.70 110.70 2pgb s SER 20 Ca 0.00 -1.23 -0.30 0.00 0.48 0.00 0.00 55.95 54.90 2pgb s SER 20 Cb 0.00 0.42 -0.10 0.00 0.10 0.00 0.00 66.02 66.44 2pgb s SER 20 CO 0.00 -0.90 1.43 -1.81 0.98 0.00 0.00 173.24 172.94 2pgb s ASP 21 N -3.10 6.67 0.59 7.02 1.01 -1.26 -0.61 116.67 126.99 2pgb s ASP 21 Ca 0.32 2.64 -0.17 0.00 0.71 0.00 0.00 52.55 56.05 2pgb s ASP 21 Cb 0.05 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 2pgb s ASP 21 CO 0.09 -0.69 1.10 0.00 0.21 0.00 0.00 175.17 175.89 2pgb s ALA 22 N 0.05 2.62 0.54 5.23 0.00 0.09 -4.78 121.76 125.51 2pgb s ALA 22 Ca 0.59 0.63 -0.14 0.00 0.00 0.00 0.00 51.96 53.05 2pgb s ALA 22 Cb -0.41 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.33 2pgb s ALA 22 CO 0.42 -0.95 0.97 -1.21 0.00 0.00 0.00 175.76 175.00 2pgb s GLU 23 N -3.73 3.79 0.21 0.00 2.02 -1.26 -4.93 118.70 114.80 2pgb s GLU 23 Ca 0.69 0.80 -0.32 0.00 0.02 0.00 0.00 54.97 56.16 2pgb s GLU 23 Cb -0.21 -2.15 -0.12 0.00 0.10 0.00 0.00 34.13 31.75 2pgb s GLU 23 CO 0.34 -0.35 1.73 -0.89 0.02 0.00 0.00 175.26 176.11 2pgb n ILE 24 N -1.98 0.01 -0.98 -1.63 2.08 -1.26 -1.92 119.36 113.67 2pgb n ILE 24 Ca 0.06 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.36 2pgb n ILE 24 Cb 0.54 -1.99 0.00 0.00 -0.75 0.00 0.00 39.64 37.44 2pgb n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2pgb n GLY 25 N 3.96 0.43 0.16 7.39 0.00 -1.26 -4.91 105.19 110.96 2pgb n GLY 25 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2pgb n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2pgb h MET 26 N 0.96 0.01 -2.04 1.61 -1.53 -1.76 -3.34 114.93 108.84 2pgb h MET 26 Ca 0.00 -0.01 -0.55 0.00 -3.44 0.00 0.00 59.70 55.70 2pgb h MET 26 Cb 0.21 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 30.86 2pgb h MET 26 CO 0.00 0.50 -1.03 0.45 0.14 0.00 0.00 176.91 176.97 2pgb n SER 27 N -3.96 1.00 0.00 1.39 2.88 -1.26 -4.97 113.62 108.70 2pgb n SER 27 Ca -0.02 -2.90 0.05 0.00 -1.33 0.00 0.00 58.87 54.68 2pgb n SER 27 Cb 0.51 -0.64 0.25 0.00 -0.75 0.00 0.00 64.21 63.58 2pgb n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2pgb n PRO 28 N 1.07 0.09 0.00 -1.46 -0.04 -1.26 -0.97 135.00 132.43 2pgb n PRO 28 Ca 0.23 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 64.06 2pgb n PRO 28 Cb 0.53 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.78 2pgb n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2pgb n TRP 29 N -1.38 0.00 -2.08 0.54 2.14 -0.98 -1.65 117.44 114.03 2pgb n TRP 29 Ca 0.04 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.20 2pgb n TRP 29 Cb 0.10 -0.05 -0.03 0.00 -0.81 0.00 0.00 31.31 30.53 2pgb n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2pgb s GLN 30 N -2.30 4.31 0.01 -2.67 2.00 -0.14 -0.57 119.66 120.29 2pgb s GLN 30 Ca 0.27 2.21 0.06 0.00 -2.00 0.00 0.00 55.36 55.90 2pgb s GLN 30 Cb 0.20 -3.15 -0.02 0.00 0.80 0.00 0.00 33.01 30.83 2pgb s GLN 30 CO 0.46 -0.38 -0.19 0.08 -0.50 0.00 0.00 175.29 174.75 2pgb s VAL 31 N 0.23 1.51 -0.23 1.34 1.01 -0.34 -4.03 120.40 119.88 2pgb s VAL 31 Ca 0.60 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 2pgb s VAL 31 Cb -0.40 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2pgb s VAL 31 CO 0.39 0.29 0.07 -0.32 0.00 0.00 0.00 175.10 175.53 2pgb s MET 32 N -0.81 3.72 -0.24 2.72 1.75 -0.13 -1.77 119.30 124.55 2pgb s MET 32 Ca 0.07 -0.45 -0.22 0.00 -1.25 0.00 0.00 55.69 53.84 2pgb s MET 32 Cb -0.08 -3.29 -0.02 0.00 2.84 0.00 0.00 34.83 34.28 2pgb s MET 32 CO 0.00 -0.09 0.70 -0.51 -0.65 0.00 0.00 175.02 174.48 2pgb s LEU 33 N 1.34 4.09 -0.06 4.11 1.43 -0.10 -1.05 118.68 128.44 2pgb s LEU 33 Ca 0.05 0.85 0.06 0.00 -1.03 0.00 0.00 54.13 54.06 2pgb s LEU 33 Cb -0.15 -2.98 -0.01 0.00 0.03 0.00 0.00 46.19 43.09 2pgb s LEU 33 CO 0.03 -0.40 -0.23 0.12 0.23 0.00 0.00 176.35 176.11 2pgb s PHE 34 N 2.48 2.29 -0.08 0.29 2.19 -0.27 -0.57 117.98 124.30 2pgb s PHE 34 Ca 0.30 -0.69 -0.26 0.00 0.33 0.00 0.00 56.93 56.61 2pgb s PHE 34 Cb -0.16 -1.51 -0.03 0.00 -1.31 0.00 0.00 43.02 40.02 2pgb s PHE 34 CO 0.09 -0.22 0.81 0.50 1.83 0.00 0.00 175.22 178.23 2pgb s ARG 35 N -0.08 4.43 0.07 10.12 3.52 -0.18 -0.98 118.95 135.86 2pgb s ARG 35 Ca -0.05 1.06 -0.22 0.00 -0.13 0.00 0.00 55.73 56.39 2pgb s ARG 35 Cb -0.14 -3.48 -0.13 0.00 -1.56 0.00 0.00 34.95 29.64 2pgb s ARG 35 CO 0.04 -0.07 1.62 0.87 -0.81 0.00 0.00 175.30 176.95 2pgb h LYS 36 N 6.92 0.13 -2.49 5.12 1.57 -1.55 -3.10 116.57 123.17 2pgb h LYS 36 Ca -0.38 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.19 2pgb h LYS 36 Cb 1.18 -0.02 -0.31 0.00 0.08 0.00 0.00 32.23 33.16 2pgb h LYS 36 CO 0.78 0.23 -0.50 -1.12 -0.57 0.00 0.00 179.45 178.27 2pgb s SER 36 N -5.45 0.37 0.78 0.86 0.01 -1.26 -3.56 113.70 105.45 2pgb s SER 36 Ca -0.14 0.45 -0.11 0.00 1.31 0.00 0.00 55.95 57.47 2pgb s SER 36 Cb 0.06 0.89 0.06 0.00 0.21 0.00 0.00 66.02 67.24 2pgb s SER 36 CO 0.68 -0.27 1.09 -2.16 0.41 0.00 0.00 173.24 172.99 2pgb s PRO 37 N 2.48 2.18 -0.19 12.44 0.04 -1.26 -5.08 135.00 145.61 2pgb s PRO 37 Ca 0.04 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.87 2pgb s PRO 37 Cb -0.13 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 2pgb s PRO 37 CO -0.12 -1.67 1.27 -0.65 0.04 0.00 0.00 177.00 175.87 2pgb s GLN 38 N -4.93 4.18 -0.12 4.56 -0.21 -1.23 -4.60 119.66 117.31 2pgb s GLN 38 Ca 0.61 1.60 -0.30 0.00 0.02 0.00 0.00 55.36 57.29 2pgb s GLN 38 Cb -0.17 -3.78 0.12 0.00 1.00 0.00 0.00 33.01 30.18 2pgb s GLN 38 CO 0.56 -0.77 0.96 -1.83 -2.12 0.00 0.00 175.29 172.09 2pgb s GLU 39 N 3.61 0.67 0.13 2.91 -1.05 -1.17 -4.99 118.70 118.81 2pgb s GLU 39 Ca 0.55 0.04 -0.31 0.00 -0.15 0.00 0.00 54.97 55.10 2pgb s GLU 39 Cb -0.21 0.31 -0.08 0.00 -0.44 0.00 0.00 34.13 33.71 2pgb s GLU 39 CO 0.16 -0.23 1.38 -1.17 0.95 0.00 0.00 175.26 176.34 2pgb s LEU 40 N -1.47 4.38 -0.27 1.83 2.96 -1.26 -1.01 118.68 123.84 2pgb s LEU 40 Ca -0.00 2.34 -0.06 0.00 -0.22 0.00 0.00 54.13 56.18 2pgb s LEU 40 Cb -0.01 -3.59 -0.14 0.00 0.50 0.00 0.00 46.19 42.95 2pgb s LEU 40 CO -0.01 -0.63 -0.29 0.18 -1.32 0.00 0.00 176.35 174.28 2pgb n LEU 41 N 3.71 2.43 -3.84 -0.68 4.77 0.26 -4.88 117.00 118.78 2pgb n LEU 41 Ca 0.11 0.11 -0.01 0.00 -0.03 0.00 0.00 56.01 56.18 2pgb n LEU 41 Cb 0.42 -0.85 0.01 0.00 -2.33 0.00 0.00 43.42 40.67 2pgb n LEU 41 CO 0.58 0.74 0.88 0.00 -1.33 0.00 0.00 177.39 178.27 2pgb s GLY 43 N -3.32 1.84 0.20 0.00 0.00 0.74 -0.92 107.32 105.85 2pgb s GLY 43 Ca 0.20 -1.57 -0.22 0.00 0.00 0.00 0.00 44.72 43.14 2pgb s GLY 43 CO 0.02 -1.25 1.03 0.00 0.00 0.00 0.00 173.10 172.91 2pgb s ALA 44 N -2.70 -1.56 0.01 3.20 0.00 -0.73 -3.44 121.76 116.54 2pgb s ALA 44 Ca 0.59 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 2pgb s ALA 44 Cb -0.09 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 2pgb s ALA 44 CO 0.38 -1.06 0.02 -1.54 0.00 0.00 0.00 175.76 173.55 2pgb s SER 45 N -3.44 0.13 -0.27 0.00 1.04 0.06 -1.20 113.70 110.03 2pgb s SER 45 Ca 0.23 -0.31 -0.20 0.00 0.48 0.00 0.00 55.95 56.14 2pgb s SER 45 Cb -0.03 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.19 2pgb s SER 45 CO 0.06 -0.25 0.64 -0.22 0.98 0.00 0.00 173.24 174.45 2pgb s LEU 46 N -1.11 4.08 0.00 2.42 2.96 0.26 -0.51 118.68 126.78 2pgb s LEU 46 Ca -0.12 0.66 0.12 0.00 -0.22 0.00 0.00 54.13 54.57 2pgb s LEU 46 Cb -0.07 -2.86 -0.09 0.00 0.50 0.00 0.00 46.19 43.66 2pgb s LEU 46 CO -0.00 -0.40 0.57 2.30 -1.32 0.00 0.00 176.35 177.49 2pgb n ILE 47 N 5.25 0.00 -3.55 6.68 -5.35 -0.62 -1.66 119.36 120.11 2pgb n ILE 47 Ca -0.00 -0.27 -0.03 0.00 -0.27 0.00 0.00 62.75 62.18 2pgb n ILE 47 Cb 0.49 1.04 0.01 0.00 -1.74 0.00 0.00 39.64 39.45 2pgb n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2pgb n SER 48 N -0.96 -1.10 0.00 7.28 3.41 -1.20 -4.72 113.62 116.33 2pgb n SER 48 Ca 0.03 -1.68 0.10 0.00 -0.26 0.00 0.00 58.87 57.06 2pgb n SER 48 Cb 0.21 1.81 0.53 0.00 -0.26 0.00 0.00 64.21 66.50 2pgb n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2pgb n ASP 49 N -1.13 0.00 0.00 4.04 5.68 -1.26 -3.66 116.55 120.22 2pgb n ASP 49 Ca -0.03 -0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.23 2pgb n ASP 49 Cb 0.32 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 2pgb n ASP 49 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 2pgb n ARG 50 N -1.28 -0.18 -4.83 0.11 0.63 -1.26 -0.73 116.66 109.12 2pgb n ARG 50 Ca 0.10 -0.12 -0.25 0.00 -0.92 0.00 0.00 57.85 56.66 2pgb n ARG 50 Cb 0.17 -0.60 -0.16 0.00 0.45 0.00 0.00 32.46 32.32 2pgb n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2pgb s TRP 51 N -0.01 1.63 -0.04 -0.14 0.52 -1.24 -0.71 118.94 118.96 2pgb s TRP 51 Ca 0.00 -0.39 0.05 0.00 0.02 0.00 0.00 56.10 55.78 2pgb s TRP 51 Cb 0.00 -1.08 -0.01 0.00 -1.15 0.00 0.00 33.47 31.24 2pgb s TRP 51 CO 0.00 -0.10 -0.19 0.08 0.02 0.00 0.00 176.95 176.76 2pgb s VAL 52 N -0.18 1.57 -0.12 4.03 1.01 -0.29 -1.59 120.40 124.84 2pgb s VAL 52 Ca 0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 2pgb s VAL 52 Cb -0.09 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 2pgb s VAL 52 CO 0.01 0.45 0.01 -0.22 0.00 0.00 0.00 175.10 175.35 2pgb s LEU 53 N -0.12 3.60 0.00 3.92 2.96 0.33 -0.46 118.68 128.90 2pgb s LEU 53 Ca -0.01 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2pgb s LEU 53 Cb -0.11 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.74 2pgb s LEU 53 CO 0.02 0.31 0.10 1.07 -1.32 0.00 0.00 176.35 176.52 2pgb n THR 54 N 2.63 0.00 -3.45 3.68 5.66 -0.32 -0.76 114.28 121.73 2pgb n THR 54 Ca -0.18 -0.33 -0.38 0.00 -3.05 0.00 0.00 64.05 60.12 2pgb n THR 54 Cb 0.53 0.21 -0.06 0.00 -1.55 0.00 0.00 70.33 69.46 2pgb n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2pgb s ALA 55 N -1.76 3.67 0.35 1.79 0.00 -1.26 -1.19 121.76 123.37 2pgb s ALA 55 Ca 0.05 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 51.88 2pgb s ALA 55 Cb -0.00 -2.44 0.66 0.00 0.00 0.00 0.00 23.12 21.33 2pgb s ALA 55 CO 0.04 0.47 1.98 0.00 0.00 0.00 0.00 175.76 178.25 2pgb h ALA 56 N 4.58 1.60 0.00 0.00 0.00 -1.71 -2.05 119.26 121.67 2pgb h ALA 56 Ca -0.51 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2pgb h ALA 56 Cb 1.22 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2pgb h ALA 56 CO 0.62 0.34 0.00 1.12 0.00 0.00 0.00 179.25 181.33 2pgb h HIS 57 N 0.84 0.00 0.00 0.00 2.07 -1.89 0.11 115.15 116.28 2pgb h HIS 57 Ca 0.27 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.76 2pgb h HIS 57 Cb 0.05 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.02 2pgb h HIS 57 CO -0.00 0.00 -0.17 0.00 -3.07 0.00 0.00 177.93 174.69 2pgb n LEU 59 N -3.36 0.87 -3.71 0.00 4.77 -0.35 -4.91 117.00 110.31 2pgb n LEU 59 Ca -0.00 -0.02 -0.24 0.00 -0.03 0.00 0.00 56.01 55.72 2pgb n LEU 59 Cb 0.38 0.04 -0.17 0.00 -2.33 0.00 0.00 43.42 41.33 2pgb n LEU 59 CO 0.32 0.35 -0.36 -0.22 -1.33 0.00 0.00 177.39 176.15 2pgb s LEU 60 N -4.94 0.55 0.24 2.23 2.96 0.23 -0.88 118.68 119.07 2pgb s LEU 60 Ca -0.07 -0.29 -0.14 0.00 -0.22 0.00 0.00 54.13 53.40 2pgb s LEU 60 Cb 0.03 -0.36 -0.00 0.00 0.50 0.00 0.00 46.19 46.36 2pgb s LEU 60 CO 0.33 -0.26 0.50 -0.47 -1.32 0.00 0.00 176.35 175.13 2pgb s TYR 60 N 2.03 0.28 0.00 5.38 5.04 0.14 -4.16 117.35 126.06 2pgb s TYR 60 Ca 0.03 -0.65 0.00 0.00 -2.44 0.00 0.00 57.07 54.01 2pgb s TYR 60 Cb -0.14 0.24 0.00 0.00 0.35 0.00 0.00 41.96 42.42 2pgb s TYR 60 CO -0.06 -1.00 0.00 -2.30 -1.34 0.00 0.00 175.55 170.85 2pgb n PRO 60 N -0.38 0.00 -0.28 4.97 -0.02 -1.26 -2.13 135.00 135.90 2pgb n PRO 60 Ca -0.03 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.52 2pgb n PRO 60 Cb 0.62 0.00 0.20 0.00 -0.02 0.00 0.00 33.50 34.30 2pgb n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2pgb n TRP 60 N 0.00 0.67 -3.95 6.00 7.02 -1.26 -4.96 117.44 120.96 2pgb n TRP 60 Ca 0.00 -0.57 -0.29 0.00 -1.02 0.00 0.00 57.50 55.62 2pgb n TRP 60 Cb 0.00 -0.09 0.01 0.00 -2.42 0.00 0.00 31.31 28.81 2pgb n TRP 60 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 2pgb n ASP 60 N 0.50 -2.89 -4.55 -0.99 4.64 -1.15 -4.96 116.55 107.15 2pgb n ASP 60 Ca 0.16 -0.88 -0.37 0.00 -1.38 0.00 0.00 54.79 52.32 2pgb n ASP 60 Cb 0.56 -3.50 -0.11 0.00 -1.04 0.00 0.00 41.12 37.03 2pgb n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 2pgb s LYS 60 N -6.56 3.85 -0.51 -0.67 2.20 -0.91 -5.00 119.74 112.14 2pgb s LYS 60 Ca 0.43 -0.38 0.07 0.00 -0.36 0.00 0.00 55.97 55.72 2pgb s LYS 60 Cb -0.22 -3.42 0.19 0.00 -1.51 0.00 0.00 37.83 32.87 2pgb s LYS 60 CO 0.86 -0.07 0.69 -1.71 -0.36 0.00 0.00 175.35 174.77 2pgb n ASN 60 N 4.62 -3.19 -4.77 1.43 5.15 -1.24 -0.68 115.26 116.57 2pgb n ASN 60 Ca -0.15 -2.87 -0.38 0.00 -0.60 0.00 0.00 54.58 50.58 2pgb n ASN 60 Cb 0.52 1.55 -0.04 0.00 -0.53 0.00 0.00 39.78 41.28 2pgb n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2pgb s PHE 60 N 0.79 3.28 0.36 1.20 0.08 -0.06 -5.02 117.98 118.62 2pgb s PHE 60 Ca 0.30 1.64 0.08 0.00 0.12 0.00 0.00 56.93 59.07 2pgb s PHE 60 Cb 0.00 -3.21 -0.04 0.00 -0.57 0.00 0.00 43.02 39.20 2pgb s PHE 60 CO -0.06 -0.77 0.17 -0.08 -0.10 0.00 0.00 175.22 174.38 2pgb s THR 60 N -1.51 2.84 0.30 0.64 -1.32 -1.26 -4.92 115.64 110.41 2pgb s THR 60 Ca 0.55 -1.66 0.06 0.00 -1.21 0.00 0.00 61.69 59.43 2pgb s THR 60 Cb -0.26 -2.99 0.30 0.00 -1.51 0.00 0.00 72.50 68.04 2pgb s THR 60 CO 0.32 -0.13 1.77 -0.33 -2.21 0.00 0.00 174.62 174.05 2pgb h GLU 61 N 1.47 0.73 0.00 7.08 3.07 -1.93 -1.15 114.58 123.84 2pgb h GLU 61 Ca -0.43 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 2pgb h GLU 61 Cb 1.25 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2pgb h GLU 61 CO 0.64 0.48 0.00 0.09 -1.40 0.00 0.00 179.01 178.82 2pgb n ASN 62 N -4.78 0.00 0.12 1.42 3.02 -1.26 -3.41 115.26 110.38 2pgb n ASN 62 Ca 0.23 0.19 0.13 0.00 -0.03 0.00 0.00 54.58 55.10 2pgb n ASN 62 Cb 0.57 -0.39 0.29 0.00 -0.61 0.00 0.00 39.78 39.64 2pgb n ASN 62 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2pgb h ASP 63 N 0.00 0.00 -3.76 6.41 3.32 -1.60 -3.47 116.42 117.31 2pgb h ASP 63 Ca 0.00 -0.04 -0.39 0.00 0.02 0.00 0.00 57.03 56.62 2pgb h ASP 63 Cb 0.35 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.76 2pgb h ASP 63 CO 0.00 0.02 -0.67 -0.76 -1.72 0.00 0.00 179.24 176.11 2pgb s LEU 64 N -4.85 2.29 0.04 1.55 1.43 -1.22 -1.40 118.68 116.52 2pgb s LEU 64 Ca 0.08 -1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.00 2pgb s LEU 64 Cb 0.11 -0.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.96 2pgb s LEU 64 CO 0.65 -0.45 -0.03 -1.48 0.23 0.00 0.00 176.35 175.27 2pgb s LEU 65 N -3.30 2.39 0.01 1.79 2.34 -0.15 -4.52 118.68 117.24 2pgb s LEU 65 Ca 0.26 -0.83 0.06 0.00 0.06 0.00 0.00 54.13 53.69 2pgb s LEU 65 Cb 0.05 0.18 -0.03 0.00 -0.56 0.00 0.00 46.19 45.83 2pgb s LEU 65 CO 0.08 -0.50 -0.15 0.68 -1.06 0.00 0.00 176.35 175.39 2pgb s VAL 66 N -3.09 2.98 -0.16 1.48 -7.23 -0.33 -1.11 120.40 112.93 2pgb s VAL 66 Ca -0.01 -1.01 0.01 0.00 -1.81 0.00 0.00 61.98 59.16 2pgb s VAL 66 Cb 0.02 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.74 2pgb s VAL 66 CO -0.07 0.41 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.82 2pgb s ARG 67 N -1.26 2.70 0.11 4.82 0.52 -0.21 -0.80 118.95 124.82 2pgb s ARG 67 Ca 0.14 -0.72 0.09 0.00 -0.52 0.00 0.00 55.73 54.72 2pgb s ARG 67 Cb -0.11 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.96 2pgb s ARG 67 CO 0.05 -0.21 -0.19 0.42 0.02 0.00 0.00 175.30 175.38 2pgb s ILE 68 N 1.35 2.74 0.00 1.52 1.01 0.38 -0.96 121.20 127.24 2pgb s ILE 68 Ca 0.04 -1.50 0.00 0.00 0.00 0.00 0.00 60.65 59.20 2pgb s ILE 68 Cb -0.13 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.11 2pgb s ILE 68 CO -0.12 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.57 2pgb n GLY 69 N 0.93 0.62 3.87 6.18 0.00 -1.26 -0.01 105.19 115.52 2pgb n GLY 69 Ca -0.16 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 2pgb n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pgb s LYS 70 N -0.39 3.78 0.16 1.61 1.02 -1.26 -4.35 119.74 120.31 2pgb s LYS 70 Ca 0.00 0.66 0.00 0.00 0.02 0.00 0.00 55.97 56.65 2pgb s LYS 70 Cb 0.00 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 2pgb s LYS 70 CO 0.00 -0.22 0.00 1.58 -0.92 0.00 0.00 175.35 175.79 2pgb n HIS 71 N -1.74 -1.02 -1.91 3.18 -0.00 -1.26 -4.91 115.22 107.56 2pgb n HIS 71 Ca 0.04 0.18 -0.40 0.00 -0.00 0.00 0.00 57.72 57.54 2pgb n HIS 71 Cb 0.54 0.26 0.00 0.00 -0.00 0.00 0.00 29.99 30.79 2pgb n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2pgb s SER 72 N -5.44 6.18 0.15 0.26 0.15 -1.26 -0.93 113.70 112.81 2pgb s SER 72 Ca 0.00 2.84 -0.08 0.00 0.70 0.00 0.00 55.95 59.41 2pgb s SER 72 Cb 0.00 -2.65 -0.03 0.00 -1.71 0.00 0.00 66.02 61.63 2pgb s SER 72 CO 0.00 -0.96 1.41 -0.09 1.20 0.00 0.00 173.24 174.80 2pgb h ARG 73 N 2.66 0.70 0.00 5.44 2.43 -1.34 -3.39 114.38 120.87 2pgb h ARG 73 Ca -0.50 -0.49 -0.17 0.00 -0.81 0.00 0.00 59.98 58.01 2pgb h ARG 73 Cb 1.25 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.85 2pgb h ARG 73 CO 0.62 1.11 -1.65 0.25 -1.51 0.00 0.00 179.97 178.80 2pgb n THR 74 N -3.95 0.63 -2.17 0.20 -2.24 -1.26 -5.03 114.28 100.46 2pgb n THR 74 Ca -0.05 -0.40 -0.39 0.00 -2.27 0.00 0.00 64.05 60.95 2pgb n THR 74 Cb 0.66 -0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 68.19 2pgb n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2pgb s ARG 75 N -2.25 3.95 -0.42 -0.78 3.52 -1.26 -4.95 118.95 116.75 2pgb s ARG 75 Ca -0.05 1.98 -0.26 0.00 -0.13 0.00 0.00 55.73 57.28 2pgb s ARG 75 Cb 0.03 -2.67 0.02 0.00 -1.56 0.00 0.00 34.95 30.78 2pgb s ARG 75 CO 0.40 -0.45 0.95 -0.47 -0.81 0.00 0.00 175.30 174.91 2pgb s TYR 76 N -1.35 2.98 -1.28 5.12 6.04 -1.26 -4.86 117.35 122.73 2pgb s TYR 76 Ca 0.58 0.59 -0.12 0.00 0.04 0.00 0.00 57.07 58.16 2pgb s TYR 76 Cb -0.34 -3.88 0.15 0.00 -1.04 0.00 0.00 41.96 36.85 2pgb s TYR 76 CO 0.43 -1.00 1.78 0.39 -1.54 0.00 0.00 175.55 175.61 2pgb n GLU 77 N 7.06 3.43 -1.62 4.97 1.02 -1.26 -4.98 120.64 129.26 2pgb n GLU 77 Ca 0.07 -3.50 -0.47 0.00 -0.02 0.00 0.00 57.16 53.25 2pgb n GLU 77 Cb 0.48 -3.04 -0.03 0.00 -0.02 0.00 0.00 31.44 28.83 2pgb n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2pgb n ARG 77 N 4.98 1.60 -0.91 3.49 0.63 -1.26 -0.77 116.66 124.41 2pgb n ARG 77 Ca 0.41 0.57 0.00 0.00 -0.92 0.00 0.00 57.85 57.91 2pgb n ARG 77 Cb 0.39 -2.14 0.00 0.00 0.45 0.00 0.00 32.46 31.17 2pgb n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2pgb n ASN 78 N 2.03 -2.74 0.05 6.15 3.02 -1.26 -4.70 115.26 117.81 2pgb n ASN 78 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 2pgb n ASN 78 Cb 0.28 -1.61 0.00 0.00 -0.61 0.00 0.00 39.78 37.84 2pgb n ASN 78 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2pgb n ILE 79 N -2.34 0.43 -2.11 2.41 2.08 -0.46 -5.07 119.36 114.29 2pgb n ILE 79 Ca 0.00 0.14 -0.29 0.00 0.56 0.00 0.00 62.75 63.16 2pgb n ILE 79 Cb 0.14 -1.18 0.02 0.00 -0.75 0.00 0.00 39.64 37.87 2pgb n ILE 79 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2pgb s GLU 80 N -2.00 3.38 -0.08 0.38 -1.05 0.05 -4.73 118.70 114.65 2pgb s GLU 80 Ca 0.00 0.48 0.03 0.00 -0.15 0.00 0.00 54.97 55.33 2pgb s GLU 80 Cb 0.00 -2.16 0.01 0.00 -0.44 0.00 0.00 34.13 31.54 2pgb s GLU 80 CO 0.00 -0.58 -0.15 0.21 0.95 0.00 0.00 175.26 175.69 2pgb s LYS 81 N -5.09 2.09 -0.21 -4.83 2.47 0.99 -4.89 119.74 110.27 2pgb s LYS 81 Ca 0.54 -0.54 -0.05 0.00 -1.56 0.00 0.00 55.97 54.35 2pgb s LYS 81 Cb -0.11 -1.67 -0.02 0.00 -1.46 0.00 0.00 37.83 34.57 2pgb s LYS 81 CO 0.50 0.06 0.00 0.42 0.16 0.00 0.00 175.35 176.50 2pgb s ILE 82 N 0.60 3.91 0.06 5.43 1.01 -1.26 -0.47 121.20 130.49 2pgb s ILE 82 Ca -0.15 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.26 2pgb s ILE 82 Cb -0.16 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 2pgb s ILE 82 CO 0.05 0.42 -0.23 -0.44 0.00 0.00 0.00 174.94 174.73 2pgb s SER 83 N 1.13 2.81 0.38 3.58 0.01 0.02 -4.98 113.70 116.65 2pgb s SER 83 Ca 0.03 -0.59 0.01 0.00 1.31 0.00 0.00 55.95 56.71 2pgb s SER 83 Cb -0.14 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.84 2pgb s SER 83 CO 0.01 0.18 0.57 -0.04 0.41 0.00 0.00 173.24 174.38 2pgb s MET 84 N -1.39 3.27 -0.14 12.44 -1.94 -1.26 -1.19 119.30 129.10 2pgb s MET 84 Ca 0.10 -0.51 -0.06 0.00 -1.71 0.00 0.00 55.69 53.51 2pgb s MET 84 Cb -0.09 -2.66 -0.04 0.00 2.01 0.00 0.00 34.83 34.05 2pgb s MET 84 CO 0.03 -0.01 0.08 -0.51 -0.01 0.00 0.00 175.02 174.60 2pgb s LEU 85 N -4.37 4.02 -0.14 -0.03 1.43 -1.26 -1.50 118.68 116.83 2pgb s LEU 85 Ca 0.43 0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 53.60 2pgb s LEU 85 Cb -0.10 -1.98 -0.25 0.00 0.03 0.00 0.00 46.19 43.90 2pgb s LEU 85 CO 0.36 0.32 0.49 -0.08 0.23 0.00 0.00 176.35 177.67 2pgb h GLU 86 N 5.65 0.13 -2.07 1.70 4.81 -0.45 -3.43 114.58 120.91 2pgb h GLU 86 Ca -0.48 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 58.47 2pgb h GLU 86 Cb 1.20 0.08 -0.20 0.00 0.63 0.00 0.00 28.75 30.46 2pgb h GLU 86 CO 0.62 1.10 0.14 0.21 -0.73 0.00 0.00 179.01 180.36 2pgb s LYS 87 N -2.40 0.98 -0.09 1.92 2.20 -1.13 -4.98 119.74 116.25 2pgb s LYS 87 Ca -0.22 0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.78 2pgb s LYS 87 Cb 0.04 0.47 -0.02 0.00 -1.51 0.00 0.00 37.83 36.80 2pgb s LYS 87 CO 0.70 -0.27 -0.10 0.42 -0.36 0.00 0.00 175.35 175.74 2pgb s ILE 88 N -0.87 3.37 -0.16 5.43 1.01 -1.26 -0.97 121.20 127.75 2pgb s ILE 88 Ca -0.09 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 59.98 2pgb s ILE 88 Cb -0.01 -2.38 0.03 0.00 0.01 0.00 0.00 42.46 40.10 2pgb s ILE 88 CO 0.08 0.56 -0.13 -0.31 0.00 0.00 0.00 174.94 175.14 2pgb s TYR 89 N -0.34 2.26 -0.12 3.97 1.51 0.44 -5.00 117.35 120.06 2pgb s TYR 89 Ca 0.04 -1.34 -0.07 0.00 -1.01 0.00 0.00 57.07 54.69 2pgb s TYR 89 Cb -0.13 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 2pgb s TYR 89 CO 0.02 -0.70 0.13 0.42 -1.11 0.00 0.00 175.55 174.32 2pgb s ILE 90 N 1.46 5.43 0.14 2.71 -1.09 -1.26 -0.66 121.20 127.92 2pgb s ILE 90 Ca 0.03 0.18 -0.33 0.00 -2.23 0.00 0.00 60.65 58.30 2pgb s ILE 90 Cb -0.14 -3.37 -0.13 0.00 -1.58 0.00 0.00 42.46 37.24 2pgb s ILE 90 CO -0.10 0.61 1.66 1.57 -1.23 0.00 0.00 174.94 177.45 2pgb n HIS 91 N 2.11 2.39 0.33 3.97 -0.00 -0.94 -4.83 115.22 118.24 2pgb n HIS 91 Ca -0.20 0.16 0.22 0.00 0.46 0.00 0.00 57.72 58.37 2pgb n HIS 91 Cb 0.55 -2.60 1.18 0.00 -0.12 0.00 0.00 29.99 29.00 2pgb n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2pgb h PRO 92 N 6.69 0.00 -0.56 1.57 0.13 -1.94 -1.90 132.00 135.99 2pgb h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2pgb h PRO 92 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2pgb h PRO 92 CO 0.91 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.22 2pgb n ARG 93 N -3.11 3.21 -1.68 0.86 5.12 -1.26 -4.97 116.66 114.82 2pgb n ARG 93 Ca -0.03 -2.64 -0.45 0.00 -1.93 0.00 0.00 57.85 52.81 2pgb n ARG 93 Cb 0.09 -1.66 -0.04 0.00 -1.16 0.00 0.00 32.46 29.69 2pgb n ARG 93 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2pgb n TYR 94 N 0.96 2.44 -3.44 -1.55 9.36 -0.72 -4.69 117.16 119.52 2pgb n TYR 94 Ca 0.22 -0.04 -0.43 0.00 3.32 0.00 0.00 57.90 60.97 2pgb n TYR 94 Cb 0.72 -2.68 -0.03 0.00 -0.63 0.00 0.00 39.34 36.72 2pgb n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2pgb s ASN 95 N 2.99 6.58 0.44 2.98 3.84 -0.04 -4.84 114.94 126.88 2pgb s ASN 95 Ca 0.86 -3.15 0.24 0.00 0.21 0.00 0.00 52.86 51.02 2pgb s ASN 95 Cb -0.59 -2.11 0.46 0.00 -0.55 0.00 0.00 41.25 38.47 2pgb s ASN 95 CO 0.43 -0.39 1.65 4.11 -2.79 0.00 0.00 177.10 180.11 2pgb h TRP 96 N 7.05 0.00 0.00 0.43 5.08 -1.91 0.39 115.95 127.00 2pgb h TRP 96 Ca 0.12 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.03 2pgb h TRP 96 Cb 0.94 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.09 2pgb h TRP 96 CO 0.86 0.00 -0.28 0.00 -1.28 0.00 0.00 178.44 177.74 2pgb h ARG 97 N 0.00 0.00 0.00 0.12 3.08 -2.00 -3.42 114.38 112.16 2pgb h ARG 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pgb h ARG 97 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2pgb h ARG 97 CO 0.00 0.28 0.00 0.39 -1.07 0.00 0.00 179.97 179.57 2pgb n GLU 97 N -3.74 0.00 0.00 0.04 1.02 -1.25 -5.02 120.64 111.69 2pgb n GLU 97 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2pgb n GLU 97 Cb 0.38 -0.35 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 2pgb n GLU 97 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2pgb n ASN 98 N -3.39 0.08 -1.65 1.62 0.23 -1.22 -4.89 115.26 106.05 2pgb n ASN 98 Ca 0.00 -1.03 -0.14 0.00 -0.53 0.00 0.00 54.58 52.88 2pgb n ASN 98 Cb 0.00 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2pgb n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2pgb n LEU 99 N -0.02 -1.70 -4.77 -4.53 4.32 0.14 -4.97 117.00 105.48 2pgb n LEU 99 Ca 0.00 -0.03 -0.39 0.00 -0.02 0.00 0.00 56.01 55.57 2pgb n LEU 99 Cb 0.39 -2.15 0.00 0.00 -1.62 0.00 0.00 43.42 40.04 2pgb n LEU 99 CO 0.00 -0.12 0.97 -0.62 -1.22 0.00 0.00 177.39 176.40 2pgb s ASP 100 N -2.40 6.13 -1.26 -1.43 3.68 -1.23 -2.78 116.67 117.37 2pgb s ASP 100 Ca 0.02 2.68 -0.03 0.00 2.13 0.00 0.00 52.55 57.35 2pgb s ASP 100 Cb -0.01 -2.64 0.01 0.00 -1.45 0.00 0.00 42.92 38.83 2pgb s ASP 100 CO 0.02 -0.98 1.03 0.54 0.13 0.00 0.00 175.17 175.91 2pgb n ARG 101 N -0.09 -6.86 -2.52 4.34 1.74 -1.26 -0.86 116.66 111.15 2pgb n ARG 101 Ca 0.05 0.82 -0.43 0.00 -0.77 0.00 0.00 57.85 57.52 2pgb n ARG 101 Cb 0.44 -5.81 0.00 0.00 -1.02 0.00 0.00 32.46 26.06 2pgb n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2pgb n ASP 102 N -3.09 4.85 -3.76 0.55 2.03 -1.12 -4.25 116.55 111.77 2pgb n ASP 102 Ca -0.20 -2.92 -0.13 0.00 0.52 0.00 0.00 54.79 52.06 2pgb n ASP 102 Cb 0.64 -1.70 -0.10 0.00 -0.72 0.00 0.00 41.12 39.23 2pgb n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2pgb s ILE 103 N 3.58 0.01 0.01 5.18 2.07 -1.26 -3.79 121.20 127.00 2pgb s ILE 103 Ca 0.51 -0.10 -0.10 0.00 -1.41 0.00 0.00 60.65 59.55 2pgb s ILE 103 Cb 0.04 -0.49 0.01 0.00 0.13 0.00 0.00 42.46 42.15 2pgb s ILE 103 CO 0.04 -0.05 0.20 0.00 -1.91 0.00 0.00 174.94 173.22 2pgb s ALA 104 N -0.12 -0.47 0.08 1.50 0.00 -0.33 -2.22 121.76 120.19 2pgb s ALA 104 Ca -0.03 -0.04 0.10 0.00 0.00 0.00 0.00 51.96 51.99 2pgb s ALA 104 Cb -0.03 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 2pgb s ALA 104 CO 0.01 -0.26 -0.26 -0.51 0.00 0.00 0.00 175.76 174.75 2pgb s LEU 105 N -1.54 2.28 -0.08 0.00 1.43 0.17 -1.18 118.68 119.76 2pgb s LEU 105 Ca -0.12 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 2pgb s LEU 105 Cb -0.05 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.89 2pgb s LEU 105 CO 0.01 0.23 -0.10 -0.04 0.23 0.00 0.00 176.35 176.68 2pgb s MET 106 N -1.57 1.58 -0.19 1.70 -1.94 0.39 -0.42 119.30 118.84 2pgb s MET 106 Ca 0.13 -0.33 -0.15 0.00 -1.71 0.00 0.00 55.69 53.63 2pgb s MET 106 Cb -0.10 -1.44 -0.04 0.00 2.01 0.00 0.00 34.83 35.26 2pgb s MET 106 CO 0.04 -0.09 0.36 0.21 -0.01 0.00 0.00 175.02 175.52 2pgb s LYS 107 N 1.07 4.18 0.58 2.03 2.20 -0.14 -1.14 119.74 128.52 2pgb s LYS 107 Ca -0.07 0.14 -0.17 0.00 -0.36 0.00 0.00 55.97 55.51 2pgb s LYS 107 Cb -0.14 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 2pgb s LYS 107 CO -0.01 0.03 1.06 -0.51 -0.36 0.00 0.00 175.35 175.56 2pgb s LEU 108 N 1.10 3.56 0.40 5.43 1.43 0.11 0.18 118.68 130.90 2pgb s LEU 108 Ca 0.18 1.85 0.08 0.00 -1.03 0.00 0.00 54.13 55.20 2pgb s LEU 108 Cb -0.14 -4.54 0.82 0.00 0.03 0.00 0.00 46.19 42.35 2pgb s LEU 108 CO 0.07 -1.11 1.98 0.11 0.23 0.00 0.00 176.35 177.63 2pgb h LYS 109 N 0.64 0.38 -3.14 1.70 1.57 -1.53 -3.39 116.57 112.79 2pgb h LYS 109 Ca -0.47 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.16 2pgb h LYS 109 Cb 1.22 -0.07 -0.18 0.00 0.08 0.00 0.00 32.23 33.29 2pgb h LYS 109 CO 0.58 0.37 -0.21 -1.59 -0.57 0.00 0.00 179.45 178.03 2pgb s LYS 110 N -5.06 0.81 0.74 3.15 -2.85 -1.26 -4.94 119.74 110.33 2pgb s LYS 110 Ca -0.07 -0.38 -0.14 0.00 -1.00 0.00 0.00 55.97 54.38 2pgb s LYS 110 Cb 0.16 0.36 0.05 0.00 -2.06 0.00 0.00 37.83 36.34 2pgb s LYS 110 CO 0.73 -0.26 1.20 -1.25 0.10 0.00 0.00 175.35 175.87 2pgb s PRO 111 N -2.22 2.07 0.10 1.78 0.04 -1.26 -4.89 135.00 130.61 2pgb s PRO 111 Ca -0.07 1.72 0.04 0.00 0.04 0.00 0.00 61.00 62.73 2pgb s PRO 111 Cb -0.02 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 2pgb s PRO 111 CO -0.01 -1.88 0.05 0.14 0.04 0.00 0.00 177.00 175.34 2pgb s VAL 112 N -2.07 4.29 0.12 -0.36 -7.23 0.09 -5.01 120.40 110.22 2pgb s VAL 112 Ca 0.73 -0.92 -0.20 0.00 -1.81 0.00 0.00 61.98 59.77 2pgb s VAL 112 Cb -0.28 -3.08 -0.07 0.00 0.56 0.00 0.00 36.38 33.51 2pgb s VAL 112 CO 0.46 0.08 0.63 0.00 -0.31 0.00 0.00 175.10 175.97 2pgb s ALA 113 N -1.42 3.54 0.63 1.32 0.00 -1.26 -4.80 121.76 119.77 2pgb s ALA 113 Ca 0.28 0.11 -0.11 0.00 0.00 0.00 0.00 51.96 52.24 2pgb s ALA 113 Cb -0.12 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2pgb s ALA 113 CO 0.21 0.37 1.04 -0.06 0.00 0.00 0.00 175.76 177.31 2pgb s PHE 114 N -1.20 3.57 0.03 0.00 0.08 -1.26 -4.92 117.98 114.28 2pgb s PHE 114 Ca 0.33 1.29 -0.01 0.00 0.12 0.00 0.00 56.93 58.66 2pgb s PHE 114 Cb -0.20 -2.75 0.00 0.00 -0.57 0.00 0.00 43.02 39.51 2pgb s PHE 114 CO 0.21 -0.76 0.05 -1.13 -0.10 0.00 0.00 175.22 173.49 2pgb n SER 115 N -2.79 -0.15 0.26 1.36 3.41 -0.24 -4.94 113.62 110.52 2pgb n SER 115 Ca 0.06 -1.14 0.17 0.00 -0.26 0.00 0.00 58.87 57.70 2pgb n SER 115 Cb 0.54 0.26 0.79 0.00 -0.26 0.00 0.00 64.21 65.54 2pgb n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2pgb h ASP 116 N 0.16 0.00 -0.00 4.04 3.32 -1.98 -2.98 116.42 118.98 2pgb h ASP 116 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2pgb h ASP 116 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2pgb h ASP 116 CO 0.03 0.00 -0.33 -1.22 -1.72 0.00 0.00 179.24 176.00 2pgb n TYR 117 N -2.88 0.00 -3.80 4.55 4.01 -1.26 -4.75 117.16 113.03 2pgb n TYR 117 Ca -0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.47 2pgb n TYR 117 Cb 0.21 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.07 2pgb n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2pgb s ILE 118 N -1.65 0.72 -0.24 -0.72 1.01 -1.12 -4.02 121.20 115.18 2pgb s ILE 118 Ca 0.07 -0.50 -0.26 0.00 0.00 0.00 0.00 60.65 59.96 2pgb s ILE 118 Cb 0.08 -1.06 0.07 0.00 0.01 0.00 0.00 42.46 41.57 2pgb s ILE 118 CO 0.33 -0.02 0.74 -2.28 0.00 0.00 0.00 174.94 173.71 2pgb s HIS 119 N 1.79 -0.75 0.45 3.97 2.46 -0.66 -1.08 115.29 121.46 2pgb s HIS 119 Ca 0.00 1.76 -0.21 0.00 0.47 0.00 0.00 55.06 57.08 2pgb s HIS 119 Cb -0.16 0.30 -0.10 0.00 -0.13 0.00 0.00 32.58 32.49 2pgb s HIS 119 CO -0.07 -0.40 1.00 -1.25 -2.47 0.00 0.00 174.74 171.55 2pgb s PRO 120 N 0.14 4.04 0.33 2.88 0.04 -1.26 -2.32 135.00 138.86 2pgb s PRO 120 Ca -0.01 1.28 -0.05 0.00 0.04 0.00 0.00 61.00 62.25 2pgb s PRO 120 Cb -0.04 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 2pgb s PRO 120 CO 0.02 -0.21 0.60 0.54 0.04 0.00 0.00 177.00 177.99 2pgb s VAL 121 N -2.02 4.99 0.35 -0.36 0.11 -0.67 -4.91 120.40 117.89 2pgb s VAL 121 Ca 0.64 0.09 -0.14 0.00 -2.93 0.00 0.00 61.98 59.63 2pgb s VAL 121 Cb -0.14 -3.76 -0.08 0.00 -1.53 0.00 0.00 36.38 30.87 2pgb s VAL 121 CO 0.18 -0.42 0.75 0.00 -3.33 0.00 0.00 175.10 172.28 2pgb s LEU 123 N -3.20 4.39 0.48 0.00 1.43 -1.26 -0.96 118.68 119.56 2pgb s LEU 123 Ca 0.54 0.93 -0.22 0.00 -1.03 0.00 0.00 54.13 54.34 2pgb s LEU 123 Cb -0.10 -2.94 -0.07 0.00 0.03 0.00 0.00 46.19 43.11 2pgb s LEU 123 CO 0.20 0.20 1.18 -2.16 0.23 0.00 0.00 176.35 176.00 2pgb s PRO 124 N -1.67 3.63 0.53 1.29 0.04 -1.26 -4.93 135.00 132.64 2pgb s PRO 124 Ca 0.32 1.80 0.07 0.00 0.04 0.00 0.00 61.00 63.22 2pgb s PRO 124 Cb -0.15 -2.33 0.06 0.00 0.04 0.00 0.00 34.50 32.11 2pgb s PRO 124 CO 0.17 -0.66 0.73 0.16 0.04 0.00 0.00 177.00 177.44 2pgb s ASP 125 N -1.38 5.24 0.37 6.66 -4.77 -1.26 -4.88 116.67 116.65 2pgb s ASP 125 Ca 0.66 -0.55 0.12 0.00 -3.30 0.00 0.00 52.55 49.48 2pgb s ASP 125 Cb -0.29 -0.21 0.71 0.00 -1.09 0.00 0.00 42.92 42.03 2pgb s ASP 125 CO 0.35 -1.17 1.82 0.08 0.70 0.00 0.00 175.17 176.95 2pgb h ARG 126 N 0.26 0.01 -0.11 2.11 0.11 -1.99 -2.72 114.38 112.05 2pgb h ARG 126 Ca -0.36 -0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.53 2pgb h ARG 126 Cb 1.28 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.36 2pgb h ARG 126 CO 0.43 0.38 -0.71 0.93 0.10 0.00 0.00 179.97 181.11 2pgb h GLU 127 N 0.01 0.49 -1.16 0.08 5.08 -2.04 -0.37 114.58 116.68 2pgb h GLU 127 Ca -0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2pgb h GLU 127 Cb 0.67 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2pgb h GLU 127 CO 0.05 1.01 0.00 2.41 -1.00 0.00 0.00 179.01 181.48 2pgb n THR 128 N -3.87 0.21 0.00 1.13 -1.04 -1.03 -1.19 114.28 108.49 2pgb n THR 128 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2pgb n THR 128 Cb 0.70 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 2pgb n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pgb n ALA 129 N 0.64 0.00 0.10 2.41 0.00 -0.15 -1.01 120.51 122.50 2pgb n ALA 129 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2pgb n ALA 129 Cb 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.47 2pgb n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2pgb h SER 129 N 0.00 0.71 0.17 0.00 0.02 -1.41 -3.39 113.55 109.65 2pgb h SER 129 Ca 0.00 -0.67 -0.01 0.00 -0.84 0.00 0.00 61.79 60.27 2pgb h SER 129 Cb 0.00 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 2pgb h SER 129 CO 0.00 1.49 -1.83 0.18 -1.14 0.00 0.00 176.83 175.53 2pgb n LEU 129 N -3.71 0.15 -4.51 5.07 4.77 -0.18 -4.65 117.00 113.93 2pgb n LEU 129 Ca -0.12 0.06 -0.43 0.00 -0.03 0.00 0.00 56.01 55.49 2pgb n LEU 129 Cb 0.98 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.07 2pgb n LEU 129 CO 0.56 -0.03 1.62 -0.76 -1.33 0.00 0.00 177.39 177.46 2pgb s LEU 130 N -4.68 4.48 0.02 2.23 1.43 -1.26 -4.83 118.68 116.06 2pgb s LEU 130 Ca -0.07 -2.66 0.02 0.00 -1.03 0.00 0.00 54.13 50.39 2pgb s LEU 130 Cb 0.13 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 2pgb s LEU 130 CO 0.89 -0.97 -0.07 -1.10 0.23 0.00 0.00 176.35 175.33 2pgb s GLN 131 N 2.87 0.48 0.30 1.70 -1.52 -1.26 -4.98 119.66 117.25 2pgb s GLN 131 Ca 0.47 -0.44 -0.30 0.00 -1.95 0.00 0.00 55.36 53.15 2pgb s GLN 131 Cb 0.00 -0.38 -0.11 0.00 -0.22 0.00 0.00 33.01 32.30 2pgb s GLN 131 CO 0.02 0.09 1.57 0.00 -0.25 0.00 0.00 175.29 176.73 2pgb s ALA 132 N -0.66 3.72 0.00 6.09 0.00 -1.26 -1.58 121.76 128.07 2pgb s ALA 132 Ca -0.03 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.50 2pgb s ALA 132 Cb -0.05 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2pgb s ALA 132 CO 0.00 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.18 2pgb n GLY 133 N 1.93 3.25 3.74 0.00 0.00 0.42 -4.95 105.19 109.58 2pgb n GLY 133 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2pgb n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pgb s TYR 134 N -2.34 3.49 0.02 1.61 1.51 -0.61 -4.61 117.35 116.42 2pgb s TYR 134 Ca 0.00 1.52 -0.08 0.00 -1.01 0.00 0.00 57.07 57.50 2pgb s TYR 134 Cb 0.00 -3.37 -0.05 0.00 -0.11 0.00 0.00 41.96 38.43 2pgb s TYR 134 CO 0.00 -0.93 0.31 0.15 -1.11 0.00 0.00 175.55 173.96 2pgb s LYS 135 N -0.55 3.65 0.47 -0.62 1.02 -1.26 -0.44 119.74 122.00 2pgb s LYS 135 Ca 0.50 0.03 0.03 0.00 0.02 0.00 0.00 55.97 56.55 2pgb s LYS 135 Cb -0.32 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 2pgb s LYS 135 CO 0.37 0.64 0.02 0.20 -0.92 0.00 0.00 175.35 175.66 2pgb s GLY 136 N -1.63 2.81 -0.06 -3.33 0.00 -0.22 -4.86 107.32 100.04 2pgb s GLY 136 Ca 0.28 -1.05 0.05 0.00 0.00 0.00 0.00 44.72 43.99 2pgb s GLY 136 CO 0.16 -2.13 -0.21 -1.60 0.00 0.00 0.00 173.10 169.32 2pgb s ARG 137 N -3.82 2.25 -0.01 2.90 3.52 0.75 -0.40 118.95 124.14 2pgb s ARG 137 Ca 0.17 -0.75 0.07 0.00 -0.13 0.00 0.00 55.73 55.09 2pgb s ARG 137 Cb 0.04 -1.88 -0.02 0.00 -1.56 0.00 0.00 34.95 31.53 2pgb s ARG 137 CO 0.09 0.27 -0.23 0.08 -0.81 0.00 0.00 175.30 174.69 2pgb s VAL 138 N 0.05 2.32 0.04 7.11 1.01 0.07 -0.74 120.40 130.26 2pgb s VAL 138 Ca -0.07 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.84 2pgb s VAL 138 Cb -0.14 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2pgb s VAL 138 CO 0.04 0.51 -0.10 0.42 0.00 0.00 0.00 175.10 175.97 2pgb s THR 139 N -0.70 0.73 0.00 3.92 -4.23 -1.25 -1.09 115.64 113.02 2pgb s THR 139 Ca 0.11 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 2pgb s THR 139 Cb -0.10 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 73.01 2pgb s THR 139 CO 0.01 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 2pgb n GLY 140 N 1.75 -0.34 0.87 3.99 0.00 -0.68 -4.63 105.19 106.14 2pgb n GLY 140 Ca -0.20 -1.03 0.08 0.00 0.00 0.00 0.00 46.02 44.87 2pgb n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2pgb n TRP 141 N -0.29 0.85 -0.99 1.61 8.01 -1.26 -1.69 117.44 123.68 2pgb n TRP 141 Ca 0.00 -0.76 -0.18 0.00 -1.31 0.00 0.00 57.50 55.24 2pgb n TRP 141 Cb 0.00 -0.24 0.15 0.00 -2.01 0.00 0.00 31.31 29.21 2pgb n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2pgb n GLY 142 N -0.15 -2.38 3.60 6.99 0.00 -1.26 -4.57 105.19 107.41 2pgb n GLY 142 Ca 0.19 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.29 2pgb n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pgb n ASN 143 N -4.03 0.79 0.07 1.61 3.02 -0.14 -2.82 115.26 113.75 2pgb n ASN 143 Ca 0.10 0.89 0.11 0.00 -0.03 0.00 0.00 54.58 55.65 2pgb n ASN 143 Cb 0.36 -1.35 -0.03 0.00 -0.61 0.00 0.00 39.78 38.15 2pgb n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2pgb n LEU 144 N -0.08 0.61 -4.31 3.41 4.77 -0.69 -0.33 117.00 120.39 2pgb n LEU 144 Ca 0.11 0.20 -0.27 0.00 -0.03 0.00 0.00 56.01 56.02 2pgb n LEU 144 Cb 0.44 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.34 2pgb n LEU 144 CO 0.53 -0.11 -0.54 -0.54 -1.33 0.00 0.00 177.39 175.40 2pgb s LYS 145 N -3.37 1.46 -0.14 3.23 3.01 0.21 -4.13 119.74 120.02 2pgb s LYS 145 Ca -0.01 -1.10 -0.16 0.00 -1.01 0.00 0.00 55.97 53.68 2pgb s LYS 145 Cb 0.11 -1.68 -0.14 0.00 -1.01 0.00 0.00 37.83 35.11 2pgb s LYS 145 CO 0.82 0.42 0.34 1.49 0.51 0.00 0.00 175.35 178.93 2pgb h GLU 146 N 4.54 0.00 0.00 1.68 4.81 -1.84 -3.44 114.58 120.32 2pgb h GLU 146 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2pgb h GLU 146 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2pgb h GLU 146 CO 0.42 0.57 0.00 0.25 -0.73 0.00 0.00 179.01 179.52 2pgb n THR 147 N -4.64 0.00 -2.76 0.32 -2.24 -1.26 -4.91 114.28 98.79 2pgb n THR 147 Ca -0.10 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2pgb n THR 147 Cb 0.33 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 2pgb n THR 147 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2pgb n TRP 148 N 0.00 0.00 0.00 4.78 -0.00 -1.26 -5.10 117.44 115.86 2pgb n TRP 148 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2pgb n TRP 148 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 2pgb n TRP 148 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 2pgb n THR 149 N 0.00 0.00 -1.97 -1.67 -2.24 -1.26 -3.32 114.28 103.82 2pgb n THR 149 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 2pgb n THR 149 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2pgb n THR 149 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2pgb s GLY 149 N 0.00 2.92 0.00 3.38 0.00 -1.26 -5.03 107.32 107.34 2pgb s GLY 149 Ca 0.00 1.32 0.21 0.00 0.00 0.00 0.00 44.72 46.24 2pgb s GLY 149 CO 0.00 1.91 1.48 0.28 0.00 0.00 0.00 173.10 176.78 2pgb n LYS 149 N 0.06 1.96 0.00 2.90 4.01 -1.21 -4.96 118.16 120.91 2pgb n LYS 149 Ca 0.04 -1.44 0.00 0.00 -0.51 0.00 0.00 58.31 56.40 2pgb n LYS 149 Cb 0.43 -1.42 0.00 0.00 -0.51 0.00 0.00 35.03 33.53 2pgb n LYS 149 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2pgb n GLY 150 N 1.23 -2.44 3.03 0.72 0.00 -1.26 0.68 105.19 107.15 2pgb n GLY 150 Ca 0.17 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 2pgb n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pgb s GLN 151 N -5.33 1.31 0.44 1.61 -0.21 -1.26 -1.96 119.66 114.26 2pgb s GLN 151 Ca 0.00 -0.39 -0.17 0.00 0.02 0.00 0.00 55.36 54.82 2pgb s GLN 151 Cb 0.00 -1.16 -0.09 0.00 1.00 0.00 0.00 33.01 32.75 2pgb s GLN 151 CO 0.00 0.11 0.91 -1.25 -2.12 0.00 0.00 175.29 172.94 2pgb s PRO 152 N 0.31 4.05 0.17 2.91 0.04 -1.26 -4.97 135.00 136.25 2pgb s PRO 152 Ca -0.07 0.93 0.02 0.00 0.04 0.00 0.00 61.00 61.92 2pgb s PRO 152 Cb -0.11 -2.22 0.02 0.00 0.04 0.00 0.00 34.50 32.23 2pgb s PRO 152 CO 0.02 -0.09 1.40 1.03 0.04 0.00 0.00 177.00 179.39 2pgb h SER 153 N 1.53 0.31 -4.85 6.66 0.87 -1.98 -3.42 113.55 112.67 2pgb h SER 153 Ca -0.48 -0.24 -0.27 0.00 -1.23 0.00 0.00 61.79 59.58 2pgb h SER 153 Cb 1.18 -0.09 -0.15 0.00 -0.44 0.00 0.00 62.40 62.90 2pgb h SER 153 CO 0.62 1.01 -0.64 0.68 -0.53 0.00 0.00 176.83 177.97 2pgb s VAL 154 N -3.32 0.43 0.21 2.23 -7.23 -1.26 -1.05 120.40 110.41 2pgb s VAL 154 Ca -0.04 -1.97 -0.31 0.00 -1.81 0.00 0.00 61.98 57.85 2pgb s VAL 154 Cb 0.10 -2.26 -0.15 0.00 0.56 0.00 0.00 36.38 34.63 2pgb s VAL 154 CO 0.83 -0.32 1.12 -0.11 -0.31 0.00 0.00 175.10 176.31 2pgb n LEU 155 N -0.26 1.59 -4.68 1.32 7.94 -0.10 -4.83 117.00 117.98 2pgb n LEU 155 Ca -0.04 1.15 -0.28 0.00 -1.11 0.00 0.00 56.01 55.73 2pgb n LEU 155 Cb 0.64 -1.24 -0.08 0.00 0.53 0.00 0.00 43.42 43.28 2pgb n LEU 155 CO 0.34 -1.34 -0.33 -1.10 -1.11 0.00 0.00 177.39 173.85 2pgb s GLN 156 N -0.69 2.48 0.02 1.96 -1.52 -0.68 -0.74 119.66 120.48 2pgb s GLN 156 Ca 0.69 -0.98 0.03 0.00 -1.95 0.00 0.00 55.36 53.14 2pgb s GLN 156 Cb -0.81 -2.45 -0.01 0.00 -0.22 0.00 0.00 33.01 29.52 2pgb s GLN 156 CO 0.54 0.49 -0.08 0.54 -0.25 0.00 0.00 175.29 176.53 2pgb s VAL 157 N -1.55 0.61 -0.05 1.09 0.11 0.22 -1.69 120.40 119.15 2pgb s VAL 157 Ca 0.27 -0.63 -0.09 0.00 -2.93 0.00 0.00 61.98 58.60 2pgb s VAL 157 Cb -0.10 -0.57 0.02 0.00 -1.53 0.00 0.00 36.38 34.19 2pgb s VAL 157 CO 0.19 -0.03 0.21 0.54 -3.33 0.00 0.00 175.10 172.68 2pgb s VAL 158 N -0.62 0.03 -0.14 2.04 0.11 -0.25 -1.11 120.40 120.46 2pgb s VAL 158 Ca -0.01 -0.26 -0.05 0.00 -2.93 0.00 0.00 61.98 58.73 2pgb s VAL 158 Cb -0.06 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 2pgb s VAL 158 CO 0.00 -0.14 0.04 0.20 -3.33 0.00 0.00 175.10 171.88 2pgb s ASN 159 N -0.49 5.52 -0.00 3.54 0.01 -1.26 -0.75 114.94 121.51 2pgb s ASN 159 Ca -0.06 0.12 0.02 0.00 -0.71 0.00 0.00 52.86 52.23 2pgb s ASN 159 Cb -0.04 -1.82 -0.00 0.00 0.41 0.00 0.00 41.25 39.79 2pgb s ASN 159 CO 0.01 0.26 -0.06 -0.76 -1.51 0.00 0.00 177.10 175.04 2pgb s LEU 160 N -0.15 2.02 0.19 0.60 1.43 0.47 -4.95 118.68 118.28 2pgb s LEU 160 Ca 0.06 -0.12 -0.26 0.00 -1.03 0.00 0.00 54.13 52.79 2pgb s LEU 160 Cb -0.12 -0.29 -0.08 0.00 0.03 0.00 0.00 46.19 45.73 2pgb s LEU 160 CO 0.01 0.06 0.81 -2.16 0.23 0.00 0.00 176.35 175.31 2pgb s PRO 161 N -0.18 4.63 0.40 1.29 0.04 -1.26 -1.05 135.00 138.86 2pgb s PRO 161 Ca 0.02 1.23 -0.26 0.00 0.04 0.00 0.00 61.00 62.02 2pgb s PRO 161 Cb -0.02 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.18 2pgb s PRO 161 CO -0.00 0.55 1.31 0.42 0.04 0.00 0.00 177.00 179.32 2pgb s ILE 162 N -1.17 2.58 -0.01 0.56 1.01 0.42 -0.77 121.20 123.81 2pgb s ILE 162 Ca 0.37 0.52 0.01 0.00 0.00 0.00 0.00 60.65 61.56 2pgb s ILE 162 Cb -0.24 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 2pgb s ILE 162 CO 0.27 0.08 0.00 -0.69 0.00 0.00 0.00 174.94 174.61 2pgb s VAL 163 N -1.25 4.18 0.31 2.92 1.01 -0.32 -0.44 120.40 126.81 2pgb s VAL 163 Ca 0.56 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 2pgb s VAL 163 Cb -0.39 -2.86 -0.13 0.00 0.00 0.00 0.00 36.38 33.01 2pgb s VAL 163 CO 0.50 0.39 1.36 -0.62 0.00 0.00 0.00 175.10 176.73 2pgb n GLU 164 N 1.44 2.17 -0.32 2.72 4.71 -1.26 -4.64 120.64 125.46 2pgb n GLU 164 Ca -0.15 0.77 0.06 0.00 -0.01 0.00 0.00 57.16 57.83 2pgb n GLU 164 Cb 0.53 -2.40 0.21 0.00 -1.01 0.00 0.00 31.44 28.77 2pgb n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2pgb h ARG 165 N 3.30 0.82 -0.08 3.49 3.08 -1.97 -1.11 114.38 121.91 2pgb h ARG 165 Ca -0.46 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.49 2pgb h ARG 165 Cb 1.27 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 2pgb h ARG 165 CO 0.68 0.55 -0.21 -1.35 -1.07 0.00 0.00 179.97 178.57 2pgb h PRO 166 N 0.85 0.13 -0.16 0.04 0.11 -1.99 -0.14 132.00 130.85 2pgb h PRO 166 Ca 0.46 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 66.33 2pgb h PRO 166 Cb 0.48 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.58 2pgb h PRO 166 CO -0.28 0.34 -0.69 0.28 -0.21 0.00 0.00 178.00 177.44 2pgb h VAL 167 N 0.12 1.30 -0.10 3.15 2.07 -1.66 -0.51 116.25 120.62 2pgb h VAL 167 Ca 0.02 -1.91 0.02 0.00 0.82 0.00 0.00 66.70 65.65 2pgb h VAL 167 Cb 0.44 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 2pgb h VAL 167 CO 0.03 0.60 -0.03 0.00 0.02 0.00 0.00 177.57 178.19 2pgb h LYS 169 N -0.01 1.14 0.00 0.00 1.57 -1.03 -2.24 116.57 116.00 2pgb h LYS 169 Ca 0.05 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 2pgb h LYS 169 Cb 0.09 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 2pgb h LYS 169 CO -0.11 0.91 -0.13 0.22 -0.57 0.00 0.00 179.45 179.77 2pgb h ASP 170 N 1.11 0.00 0.97 0.86 3.58 -0.95 -3.11 116.42 118.87 2pgb h ASP 170 Ca 0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 2pgb h ASP 170 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2pgb h ASP 170 CO -0.03 0.13 -0.00 -1.54 -2.88 0.00 0.00 179.24 174.92 2pgb n SER 171 N -3.53 0.00 -3.95 2.28 3.41 -0.79 -4.87 113.62 106.18 2pgb n SER 171 Ca -0.01 0.46 -0.09 0.00 -0.26 0.00 0.00 58.87 58.96 2pgb n SER 171 Cb 0.27 -0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 63.64 2pgb n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2pgb s THR 172 N -2.97 0.14 -1.34 6.66 -1.32 -1.18 -4.90 115.64 110.72 2pgb s THR 172 Ca 0.15 -1.13 0.26 0.00 -1.21 0.00 0.00 61.69 59.76 2pgb s THR 172 Cb 0.19 -0.86 0.16 0.00 -1.51 0.00 0.00 72.50 70.48 2pgb s THR 172 CO 0.53 -0.62 1.55 0.54 -2.21 0.00 0.00 174.62 174.40 2pgb n ARG 173 N 0.83 0.37 -2.44 7.08 1.74 -1.26 -4.88 116.66 118.10 2pgb n ARG 173 Ca -0.19 -0.20 -0.38 0.00 -0.77 0.00 0.00 57.85 56.31 2pgb n ARG 173 Cb 0.58 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.49 2pgb n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2pgb s ILE 174 N -2.77 3.46 -0.45 0.55 -1.09 -1.26 -4.95 121.20 114.69 2pgb s ILE 174 Ca 0.18 1.24 -0.29 0.00 -2.23 0.00 0.00 60.65 59.55 2pgb s ILE 174 Cb 0.18 -3.70 0.01 0.00 -1.58 0.00 0.00 42.46 37.38 2pgb s ILE 174 CO 0.60 0.12 1.40 -0.60 -1.23 0.00 0.00 174.94 175.24 2pgb s ARG 175 N -2.16 3.51 0.25 2.79 3.52 -1.26 -4.99 118.95 120.60 2pgb s ARG 175 Ca 0.54 0.80 -0.25 0.00 -0.13 0.00 0.00 55.73 56.69 2pgb s ARG 175 Cb -0.28 -4.05 -0.09 0.00 -1.56 0.00 0.00 34.95 28.98 2pgb s ARG 175 CO 0.35 -1.66 0.86 0.42 -0.81 0.00 0.00 175.30 174.46 2pgb s ILE 176 N 5.57 4.29 0.46 4.11 -1.09 -1.26 -4.84 121.20 128.44 2pgb s ILE 176 Ca 0.59 1.74 0.06 0.00 -2.23 0.00 0.00 60.65 60.80 2pgb s ILE 176 Cb -0.13 -4.07 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 2pgb s ILE 176 CO 0.31 0.32 0.16 0.42 -1.23 0.00 0.00 174.94 174.92 2pgb s THR 177 N -1.40 1.89 -1.32 2.92 -4.23 -1.26 -5.00 115.64 107.24 2pgb s THR 177 Ca 0.43 -1.76 0.16 0.00 -1.18 0.00 0.00 61.69 59.34 2pgb s THR 177 Cb -0.21 -2.66 0.25 0.00 1.34 0.00 0.00 72.50 71.23 2pgb s THR 177 CO 0.25 0.00 1.49 0.47 -0.54 0.00 0.00 174.62 176.29 2pgb n ASP 178 N -1.31 0.00 -1.23 3.99 8.00 -1.26 -2.32 116.55 122.42 2pgb n ASP 178 Ca -0.06 0.16 0.07 0.00 0.71 0.00 0.00 54.79 55.68 2pgb n ASP 178 Cb 0.65 -0.34 0.26 0.00 -0.02 0.00 0.00 41.12 41.68 2pgb n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pgb n ASN 179 N -1.34 3.59 -4.06 -2.24 3.02 -1.26 -4.87 115.26 108.10 2pgb n ASN 179 Ca 0.07 -2.30 -0.10 0.00 -0.03 0.00 0.00 54.58 52.21 2pgb n ASN 179 Cb 0.14 -0.48 -0.11 0.00 -0.61 0.00 0.00 39.78 38.72 2pgb n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pgb s MET 180 N -1.72 0.53 0.10 3.52 0.23 -0.98 -0.67 119.30 120.31 2pgb s MET 180 Ca 0.38 -0.89 -0.01 0.00 -1.03 0.00 0.00 55.69 54.13 2pgb s MET 180 Cb 0.24 -0.08 -0.04 0.00 -1.53 0.00 0.00 34.83 33.42 2pgb s MET 180 CO 0.19 -0.02 0.03 -0.59 -2.03 0.00 0.00 175.02 172.60 2pgb s PHE 181 N -2.21 0.72 0.21 3.16 -0.12 -0.33 -4.82 117.98 114.59 2pgb s PHE 181 Ca -0.05 -1.16 0.10 0.00 -0.05 0.00 0.00 56.93 55.77 2pgb s PHE 181 Cb -0.04 -0.44 -0.05 0.00 -0.63 0.00 0.00 43.02 41.86 2pgb s PHE 181 CO -0.03 -0.47 -0.19 0.00 -0.05 0.00 0.00 175.22 174.49 2pgb s ALA 183 N -2.25 -0.28 0.00 0.00 0.00 -0.50 -1.17 121.76 117.57 2pgb s ALA 183 Ca 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2pgb s ALA 183 Cb -0.05 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.35 2pgb s ALA 183 CO 0.09 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.91 2pgb n GLY 184 N 0.69 3.83 3.83 0.00 0.00 0.05 -1.94 105.19 111.65 2pgb n GLY 184 Ca -0.19 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 2pgb n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pgb s TYR 184 N -2.00 3.36 0.54 1.61 2.02 -1.26 -4.53 117.35 117.09 2pgb s TYR 184 Ca 0.00 1.40 -0.08 0.00 -0.37 0.00 0.00 57.07 58.02 2pgb s TYR 184 Cb 0.00 -2.68 -0.04 0.00 -0.40 0.00 0.00 41.96 38.85 2pgb s TYR 184 CO 0.00 0.02 0.90 0.15 -1.57 0.00 0.00 175.55 175.05 2pgb s LYS 185 N -3.01 3.58 0.28 -0.62 1.02 -1.26 -4.65 119.74 115.08 2pgb s LYS 185 Ca 0.57 0.46 0.02 0.00 0.02 0.00 0.00 55.97 57.03 2pgb s LYS 185 Cb -0.10 -2.24 0.68 0.00 -0.52 0.00 0.00 37.83 35.65 2pgb s LYS 185 CO 0.16 -0.37 1.68 -1.35 -0.92 0.00 0.00 175.35 174.55 2pgb h PRO 186 N 0.00 0.32 -0.18 -1.68 0.11 -1.93 -1.32 132.00 127.31 2pgb h PRO 186 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2pgb h PRO 186 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2pgb h PRO 186 CO 0.62 0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 178.22 2pgb n ASP 186 N -5.11 1.16 -0.13 -2.05 5.68 -1.26 -3.56 116.55 111.27 2pgb n ASP 186 Ca 0.21 -1.85 0.13 0.00 -0.50 0.00 0.00 54.79 52.78 2pgb n ASP 186 Cb 0.63 -0.12 0.39 0.00 -1.14 0.00 0.00 41.12 40.88 2pgb n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2pgb n GLU 186 N 0.07 0.50 0.00 0.11 1.02 -0.50 -4.94 120.64 116.91 2pgb n GLU 186 Ca 0.11 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 2pgb n GLU 186 Cb 0.21 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 2pgb n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pgb n GLY 186 N 1.39 0.77 3.76 0.62 0.00 -1.23 -4.93 105.19 105.57 2pgb n GLY 186 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2pgb n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pgb s LYS 186 N 0.00 3.35 0.49 1.61 1.02 -1.26 -5.05 119.74 119.89 2pgb s LYS 186 Ca 0.00 1.78 0.00 0.00 0.02 0.00 0.00 55.97 57.77 2pgb s LYS 186 Cb 0.00 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 2pgb s LYS 186 CO 0.00 -0.89 0.04 0.54 -0.92 0.00 0.00 175.35 174.11 2pgb n ARG 187 N -1.12 0.81 0.00 1.68 1.74 -1.26 -4.71 116.66 113.81 2pgb n ARG 187 Ca 0.11 -3.52 0.00 0.00 -0.77 0.00 0.00 57.85 53.67 2pgb n ARG 187 Cb 0.49 0.89 0.00 0.00 -1.02 0.00 0.00 32.46 32.82 2pgb n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pgb n GLY 188 N -0.85 4.53 3.58 -0.13 0.00 -1.25 -4.92 105.19 106.16 2pgb n GLY 188 Ca -0.18 -0.98 -0.05 0.00 0.00 0.00 0.00 46.02 44.80 2pgb n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pgb s ASP 189 N 0.00 -0.21 0.58 1.61 2.15 -0.66 -4.63 116.67 115.51 2pgb s ASP 189 Ca 0.00 -0.06 -0.10 0.00 0.43 0.00 0.00 52.55 52.81 2pgb s ASP 189 Cb 0.00 0.27 -0.04 0.00 -0.30 0.00 0.00 42.92 42.85 2pgb s ASP 189 CO 0.00 -0.46 0.97 0.00 -0.17 0.00 0.00 175.17 175.51 2pgb s ALA 190 N -2.77 3.16 0.21 3.66 0.00 -1.26 -0.54 121.76 124.22 2pgb s ALA 190 Ca 0.09 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.93 2pgb s ALA 190 Cb -0.00 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 2pgb s ALA 190 CO -0.05 -0.58 0.17 0.00 0.00 0.00 0.00 175.76 175.30 2pgb n ALA 191 N -2.55 0.44 -1.67 0.00 0.00 -1.26 -4.58 120.51 110.88 2pgb n ALA 191 Ca 0.05 -1.23 -0.46 0.00 0.00 0.00 0.00 53.44 51.80 2pgb n ALA 191 Cb 0.54 0.98 -0.04 0.00 0.00 0.00 0.00 19.45 20.93 2pgb n ALA 191 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2pgb n GLU 192 N -0.41 2.19 0.00 0.00 0.00 -1.26 -1.47 120.64 119.68 2pgb n GLU 192 Ca 0.04 0.79 0.00 0.00 0.00 0.00 0.00 57.16 57.99 2pgb n GLU 192 Cb 0.38 -2.57 0.00 0.00 0.00 0.00 0.00 31.44 29.25 2pgb n GLU 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2pgb n GLY 193 N 3.51 2.86 0.04 8.31 0.00 -1.26 -0.97 105.19 117.68 2pgb n GLY 193 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 2pgb n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pgb n ASP 194 N 0.00 0.64 -4.58 1.61 8.00 -0.54 -3.60 116.55 118.07 2pgb n ASP 194 Ca 0.00 -0.11 -0.43 0.00 0.71 0.00 0.00 54.79 54.96 2pgb n ASP 194 Cb 0.00 0.53 -0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2pgb n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2pgb n SER 195 N -1.97 1.03 0.00 -2.24 7.64 -1.25 -1.64 113.62 115.19 2pgb n SER 195 Ca 0.03 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.99 2pgb n SER 195 Cb 0.43 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 2pgb n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pgb n GLY 196 N 1.27 3.09 3.79 0.23 0.00 -0.04 -0.19 105.19 113.35 2pgb n GLY 196 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2pgb n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pgb s GLY 197 N -1.84 1.62 0.19 -0.02 0.00 -0.65 -3.40 107.32 103.22 2pgb s GLY 197 Ca 0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 44.72 43.78 2pgb s GLY 197 CO 0.00 -0.10 0.67 2.56 0.00 0.00 0.00 173.10 176.23 2pgb s PRO 198 N -5.46 4.19 -0.31 2.90 0.04 -1.26 -0.71 135.00 134.39 2pgb s PRO 198 Ca 0.67 0.77 -0.06 0.00 0.04 0.00 0.00 61.00 62.42 2pgb s PRO 198 Cb -0.11 -2.94 0.03 0.00 0.04 0.00 0.00 34.50 31.52 2pgb s PRO 198 CO 0.53 0.44 0.07 0.12 0.04 0.00 0.00 177.00 178.21 2pgb s PHE 199 N -1.46 3.19 0.21 0.56 2.19 -0.15 -3.89 117.98 118.64 2pgb s PHE 199 Ca 0.40 -1.29 0.11 0.00 0.33 0.00 0.00 56.93 56.48 2pgb s PHE 199 Cb -0.17 -2.23 -0.04 0.00 -1.31 0.00 0.00 43.02 39.26 2pgb s PHE 199 CO 0.21 -0.67 -0.18 0.14 1.83 0.00 0.00 175.22 176.54 2pgb s VAL 200 N 1.42 2.65 0.03 3.12 -7.23 0.08 -0.98 120.40 119.50 2pgb s VAL 200 Ca -0.00 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 2pgb s VAL 200 Cb -0.18 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 2pgb s VAL 200 CO 0.02 -0.17 -0.08 -0.04 -0.31 0.00 0.00 175.10 174.51 2pgb s MET 201 N -2.90 0.59 -0.26 4.82 -1.94 -0.08 -0.18 119.30 119.36 2pgb s MET 201 Ca 0.24 -0.56 -0.12 0.00 -1.71 0.00 0.00 55.69 53.54 2pgb s MET 201 Cb -0.08 -0.49 -0.05 0.00 2.01 0.00 0.00 34.83 36.23 2pgb s MET 201 CO 0.13 0.12 0.24 0.21 -0.01 0.00 0.00 175.02 175.70 2pgb s LYS 202 N -0.97 4.03 0.15 2.03 2.20 -1.26 -0.93 119.74 124.98 2pgb s LYS 202 Ca -0.03 -0.18 -0.31 0.00 -0.36 0.00 0.00 55.97 55.09 2pgb s LYS 202 Cb -0.07 -3.61 -0.09 0.00 -1.51 0.00 0.00 37.83 32.56 2pgb s LYS 202 CO 0.00 -0.10 1.40 0.45 -0.36 0.00 0.00 175.35 176.74 2pgb s SER 203 N 1.43 6.79 0.20 1.43 0.15 0.08 -4.89 113.70 118.89 2pgb s SER 203 Ca 0.10 2.41 0.26 0.00 0.70 0.00 0.00 55.95 59.41 2pgb s SER 203 Cb -0.15 -2.60 0.88 0.00 -1.71 0.00 0.00 66.02 62.44 2pgb s SER 203 CO 0.08 -0.65 1.77 -0.81 1.20 0.00 0.00 173.24 174.83 2pgb n PRO 204 N 3.54 0.22 0.13 5.44 -0.04 -1.26 -0.98 135.00 142.06 2pgb n PRO 204 Ca 0.10 0.25 -0.24 0.00 -0.04 0.00 0.00 63.50 63.57 2pgb n PRO 204 Cb 0.42 -1.79 -0.16 0.00 -0.04 0.00 0.00 33.50 31.93 2pgb n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2pgb h PHE 204 N 0.00 0.92 0.00 0.54 -1.00 -1.97 -3.41 116.94 112.03 2pgb h PHE 204 Ca 0.00 -0.67 0.00 0.00 2.81 0.00 0.00 57.97 60.11 2pgb h PHE 204 Cb 0.63 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.15 2pgb h PHE 204 CO 0.00 1.57 0.00 0.27 -1.61 0.00 0.00 178.31 178.54 2pgb n ASN 204 N -3.69 0.47 -2.05 2.17 2.04 -1.25 -5.02 115.26 107.93 2pgb n ASN 204 Ca -0.18 -1.18 -0.16 0.00 -0.44 0.00 0.00 54.58 52.62 2pgb n ASN 204 Cb 1.10 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 38.32 2pgb n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2pgb n ASN 205 N -0.09 -4.66 -4.92 0.53 3.02 -0.15 -4.99 115.26 104.00 2pgb n ASN 205 Ca 0.00 0.22 -0.28 0.00 -0.03 0.00 0.00 54.58 54.49 2pgb n ASN 205 Cb 0.33 -4.03 -0.03 0.00 -0.61 0.00 0.00 39.78 35.44 2pgb n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2pgb s ARG 206 N -4.40 3.55 -0.04 3.52 0.52 -1.26 -4.77 118.95 116.07 2pgb s ARG 206 Ca 0.00 -0.25 -0.18 0.00 -0.52 0.00 0.00 55.73 54.78 2pgb s ARG 206 Cb 0.00 -2.79 -0.05 0.00 0.52 0.00 0.00 34.95 32.63 2pgb s ARG 206 CO 0.00 0.35 0.49 -1.58 0.02 0.00 0.00 175.30 174.59 2pgb s TRP 207 N -1.92 3.64 -0.03 -0.53 0.52 -1.26 -0.74 118.94 118.62 2pgb s TRP 207 Ca 0.40 1.02 0.07 0.00 0.02 0.00 0.00 56.10 57.61 2pgb s TRP 207 Cb -0.11 -2.49 -0.01 0.00 -1.15 0.00 0.00 33.47 29.70 2pgb s TRP 207 CO 0.29 0.37 -0.22 0.71 0.02 0.00 0.00 176.95 178.12 2pgb s TYR 208 N -0.17 2.05 -0.49 -1.98 2.02 -0.11 -1.83 117.35 116.84 2pgb s TYR 208 Ca 0.27 -0.44 -0.23 0.00 -0.37 0.00 0.00 57.07 56.29 2pgb s TYR 208 Cb -0.17 -1.33 0.03 0.00 -0.40 0.00 0.00 41.96 40.10 2pgb s TYR 208 CO 0.13 -0.08 0.83 -1.14 -1.57 0.00 0.00 175.55 173.73 2pgb s GLN 209 N -0.41 3.37 0.04 -0.62 0.74 -0.13 -0.90 119.66 121.74 2pgb s GLN 209 Ca 0.06 -0.20 0.21 0.00 0.05 0.00 0.00 55.36 55.48 2pgb s GLN 209 Cb -0.10 -3.99 -0.19 0.00 1.10 0.00 0.00 33.01 29.83 2pgb s GLN 209 CO 0.00 -1.25 0.67 -1.33 -0.55 0.00 0.00 175.29 172.83 2pgb n MET 210 N 6.94 0.64 -4.01 1.67 2.81 -0.15 -4.31 117.12 120.70 2pgb n MET 210 Ca 0.02 -0.01 -0.10 0.00 -1.81 0.00 0.00 57.70 55.80 2pgb n MET 210 Cb 0.48 -1.66 -0.08 0.00 -0.71 0.00 0.00 33.22 31.25 2pgb n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2pgb s GLY 211 N -4.61 0.61 -0.07 3.03 0.00 -0.81 -1.85 107.32 103.61 2pgb s GLY 211 Ca -0.05 -1.04 0.05 0.00 0.00 0.00 0.00 44.72 43.68 2pgb s GLY 211 CO 0.85 -0.98 -0.24 -0.42 0.00 0.00 0.00 173.10 172.32 2pgb s ILE 212 N -3.99 1.98 0.00 0.90 1.01 -0.98 -0.97 121.20 119.15 2pgb s ILE 212 Ca 0.19 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 2pgb s ILE 212 Cb 0.04 -1.69 -0.08 0.00 0.01 0.00 0.00 42.46 40.74 2pgb s ILE 212 CO 0.00 0.55 1.95 -0.69 0.00 0.00 0.00 174.94 176.75 2pgb s VAL 213 N 0.08 3.08 -0.02 2.92 1.01 0.11 -1.00 120.40 126.58 2pgb s VAL 213 Ca -0.10 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 2pgb s VAL 213 Cb -0.15 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 2pgb s VAL 213 CO 0.06 -0.01 -0.15 -0.24 0.00 0.00 0.00 175.10 174.75 2pgb n SER 214 N 7.86 1.45 -3.67 3.32 2.88 -0.34 -0.86 113.62 124.26 2pgb n SER 214 Ca 0.20 0.22 -0.09 0.00 -1.33 0.00 0.00 58.87 57.87 2pgb n SER 214 Cb 0.42 -0.51 -0.02 0.00 -0.75 0.00 0.00 64.21 63.35 2pgb n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2pgb s TRP 215 N -2.37 -0.32 0.38 0.66 1.48 -1.04 -4.90 118.94 112.82 2pgb s TRP 215 Ca -0.12 -0.02 -0.13 0.00 -1.06 0.00 0.00 56.10 54.76 2pgb s TRP 215 Cb 0.02 0.61 0.05 0.00 -1.16 0.00 0.00 33.47 32.99 2pgb s TRP 215 CO 0.18 -1.04 0.74 0.41 -4.06 0.00 0.00 176.95 173.18 2pgb n GLY 216 N -0.41 1.10 2.49 3.67 0.00 -1.26 -0.01 105.19 110.76 2pgb n GLY 216 Ca -0.10 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.37 2pgb n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pgb s GLU 217 N -2.14 1.10 0.00 1.61 2.02 -1.26 -4.97 118.70 115.06 2pgb s GLU 217 Ca 0.16 -2.19 0.00 0.00 0.02 0.00 0.00 54.97 52.96 2pgb s GLU 217 Cb -0.04 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.46 2pgb s GLU 217 CO 0.12 -1.34 0.00 0.41 0.02 0.00 0.00 175.26 174.47 2pgb n GLY 219 N 2.89 -2.61 3.77 -1.39 0.00 -1.26 -4.81 105.19 101.78 2pgb n GLY 219 Ca 0.26 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 2pgb n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pgb s ALA 220 N 0.00 3.24 0.00 4.61 0.00 -1.26 -2.73 121.76 125.62 2pgb s ALA 220 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.61 2pgb s ALA 220 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2pgb s ALA 220 CO 0.00 0.03 0.00 -3.47 0.00 0.00 0.00 175.76 172.32 2pgb n ASP 221 N 0.69 0.00 -4.57 0.00 2.03 -1.26 -4.43 116.55 109.00 2pgb n ASP 221 Ca 0.01 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.91 2pgb n ASP 221 Cb 0.48 -1.01 -0.03 0.00 -0.72 0.00 0.00 41.12 39.85 2pgb n ASP 221 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2pgb s ARG 221 N -0.31 3.27 0.40 -0.67 3.52 -1.10 -4.90 118.95 119.16 2pgb s ARG 221 Ca 0.00 0.29 -0.26 0.00 -0.13 0.00 0.00 55.73 55.62 2pgb s ARG 221 Cb 0.00 -4.14 -0.10 0.00 -1.56 0.00 0.00 34.95 29.15 2pgb s ARG 221 CO 0.00 -1.99 1.32 -0.40 -0.81 0.00 0.00 175.30 173.42 2pgb n ASP 222 N 9.56 2.86 0.00 -2.12 5.75 -1.26 -1.18 116.55 130.16 2pgb n ASP 222 Ca 0.10 1.15 0.00 0.00 -0.01 0.00 0.00 54.79 56.03 2pgb n ASP 222 Cb 0.49 -1.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.06 2pgb n ASP 222 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pgb n GLY 223 N 0.72 3.16 3.64 6.12 0.00 -1.26 -4.93 105.19 112.64 2pgb n GLY 223 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2pgb n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pgb s LYS 224 N -0.47 2.30 0.19 1.61 -0.14 -0.33 -4.87 119.74 118.03 2pgb s LYS 224 Ca 0.00 -1.15 0.04 0.00 -1.36 0.00 0.00 55.97 53.50 2pgb s LYS 224 Cb 0.00 -2.30 -0.05 0.00 -1.68 0.00 0.00 37.83 33.80 2pgb s LYS 224 CO 0.00 0.45 -0.07 0.71 -0.76 0.00 0.00 175.35 175.68 2pgb s TYR 225 N -1.72 1.42 0.12 3.18 2.02 -1.26 -4.75 117.35 116.37 2pgb s TYR 225 Ca 0.27 -0.80 -0.13 0.00 -0.37 0.00 0.00 57.07 56.03 2pgb s TYR 225 Cb -0.09 -0.76 -0.06 0.00 -0.40 0.00 0.00 41.96 40.64 2pgb s TYR 225 CO 0.18 0.06 0.49 0.20 -1.57 0.00 0.00 175.55 174.91 2pgb s GLY 226 N -3.24 2.42 0.01 0.71 0.00 -0.82 -4.40 107.32 102.01 2pgb s GLY 226 Ca 0.22 -0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.74 2pgb s GLY 226 CO 0.04 0.05 0.03 -1.36 0.00 0.00 0.00 173.10 171.87 2pgb s PHE 227 N -1.42 3.14 0.01 1.90 0.40 0.99 -1.40 117.98 121.59 2pgb s PHE 227 Ca 0.36 0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.82 2pgb s PHE 227 Cb -0.15 -1.67 -0.01 0.00 0.51 0.00 0.00 43.02 41.70 2pgb s PHE 227 CO 0.19 0.50 -0.09 0.71 0.70 0.00 0.00 175.22 177.22 2pgb s TYR 228 N -1.17 0.83 0.11 0.36 1.51 0.56 -1.20 117.35 118.36 2pgb s TYR 228 Ca 0.22 -0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.74 2pgb s TYR 228 Cb -0.12 -0.52 -0.07 0.00 -0.11 0.00 0.00 41.96 41.15 2pgb s TYR 228 CO 0.13 -0.01 1.23 0.99 -1.11 0.00 0.00 175.55 176.78 2pgb s THR 229 N -0.50 3.77 -0.79 -0.71 2.01 -0.17 -1.19 115.64 118.06 2pgb s THR 229 Ca 0.01 1.33 -0.26 0.00 0.31 0.00 0.00 61.69 63.08 2pgb s THR 229 Cb -0.05 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.63 2pgb s THR 229 CO 0.00 0.14 1.43 -2.28 -0.69 0.00 0.00 174.62 173.21 2pgb s HIS 230 N 0.73 2.22 0.16 4.92 2.46 0.15 -2.33 115.29 123.61 2pgb s HIS 230 Ca 0.58 -0.06 -0.15 0.00 0.47 0.00 0.00 55.06 55.90 2pgb s HIS 230 Cb -0.32 -4.54 0.03 0.00 -0.13 0.00 0.00 32.58 27.62 2pgb s HIS 230 CO 0.32 -2.07 1.82 0.28 -2.47 0.00 0.00 174.74 172.62 2pgb h VAL 231 N 6.36 1.12 -0.73 0.89 2.07 -1.67 -2.24 116.25 122.05 2pgb h VAL 231 Ca -0.16 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.19 2pgb h VAL 231 Cb 1.06 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 2pgb h VAL 231 CO 1.30 0.12 0.43 0.15 0.02 0.00 0.00 177.57 179.58 2pgb h PHE 232 N 0.61 0.78 0.00 1.57 3.57 -1.86 -1.37 116.94 120.24 2pgb h PHE 232 Ca 0.16 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 2pgb h PHE 232 Cb -0.06 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.43 2pgb h PHE 232 CO -0.04 0.39 -0.08 0.00 -2.23 0.00 0.00 178.31 176.35 2pgb h ARG 233 N 0.79 0.00 -0.48 1.11 3.08 -1.79 -1.90 114.38 115.19 2pgb h ARG 233 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2pgb h ARG 233 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2pgb h ARG 233 CO -0.17 0.08 0.00 1.28 -1.07 0.00 0.00 179.97 180.08 2pgb n LEU 234 N -3.79 4.36 0.08 3.04 4.77 -0.62 -4.63 117.00 120.22 2pgb n LEU 234 Ca -0.02 -2.60 0.00 0.00 -0.03 0.00 0.00 56.01 53.36 2pgb n LEU 234 Cb 0.17 -0.53 0.31 0.00 -2.33 0.00 0.00 43.42 41.05 2pgb n LEU 234 CO 0.29 0.74 0.81 0.50 -1.33 0.00 0.00 177.39 178.40 2pgb h LYS 235 N 3.09 0.31 -0.31 3.23 3.64 -0.44 -2.46 116.57 123.62 2pgb h LYS 235 Ca 0.00 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 2pgb h LYS 235 Cb 1.41 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 2pgb h LYS 235 CO 0.23 0.50 -0.15 0.87 -2.27 0.00 0.00 179.45 178.63 2pgb h LYS 236 N 0.28 0.54 -0.33 1.90 1.57 -1.82 -0.04 116.57 118.67 2pgb h LYS 236 Ca 0.05 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 2pgb h LYS 236 Cb 0.52 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2pgb h LYS 236 CO 0.03 0.68 -0.02 2.35 -0.57 0.00 0.00 179.45 181.92 2pgb h TRP 237 N 0.49 0.65 -0.40 -1.35 7.01 -1.80 -0.65 115.95 119.91 2pgb h TRP 237 Ca 0.09 -0.12 0.04 0.00 2.11 0.00 0.00 58.89 61.00 2pgb h TRP 237 Cb 0.55 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.41 2pgb h TRP 237 CO 0.02 0.73 0.17 0.82 -2.79 0.00 0.00 178.44 177.39 2pgb h ILE 238 N 0.39 0.92 -0.47 2.65 2.04 -1.03 -1.65 117.51 120.37 2pgb h ILE 238 Ca 0.09 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 2pgb h ILE 238 Cb 0.48 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2pgb h ILE 238 CO 0.02 0.06 -0.02 1.56 0.00 0.00 0.00 178.15 179.78 2pgb h GLN 239 N 0.35 0.78 -0.76 2.37 4.20 -0.84 -1.80 115.11 119.41 2pgb h GLN 239 Ca 0.18 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2pgb h GLN 239 Cb 0.13 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 2pgb h GLN 239 CO -0.15 0.80 0.42 -0.22 -0.67 0.00 0.00 178.83 179.00 2pgb h LYS 240 N 0.72 1.05 -0.17 1.46 3.64 -0.68 -0.39 116.57 122.21 2pgb h LYS 240 Ca 0.14 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2pgb h LYS 240 Cb 0.47 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2pgb h LYS 240 CO 0.02 0.78 -0.05 0.28 -2.27 0.00 0.00 179.45 178.21 2pgb h VAL 241 N 1.04 1.29 -0.21 2.00 2.07 -1.01 -3.00 116.25 118.43 2pgb h VAL 241 Ca 0.27 -1.03 -0.10 0.00 0.82 0.00 0.00 66.70 66.65 2pgb h VAL 241 Cb 0.03 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2pgb h VAL 241 CO -0.04 0.31 -0.32 0.40 0.02 0.00 0.00 177.57 177.94 2pgb h ILE 242 N 0.03 1.28 -0.90 4.57 2.04 -1.14 -2.33 117.51 121.06 2pgb h ILE 242 Ca 0.04 -1.38 -0.55 0.00 1.00 0.00 0.00 64.86 63.97 2pgb h ILE 242 Cb 0.49 1.47 -0.27 0.00 -0.74 0.00 0.00 36.82 37.77 2pgb h ILE 242 CO 0.02 0.43 0.71 0.47 0.00 0.00 0.00 178.15 179.78 2pgb n ASP 243 N -4.08 5.92 0.00 1.72 8.00 -0.17 -3.71 116.55 124.23 2pgb n ASP 243 Ca -0.01 -3.57 0.00 0.00 0.71 0.00 0.00 54.79 51.92 2pgb n ASP 243 Cb 0.44 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 2pgb n ASP 243 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2pgb n GLN 244 N -0.81 3.95 0.00 -1.24 0.00 -0.92 -4.96 117.38 113.40 2pgb n GLN 244 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.56 2pgb n GLN 244 Cb 1.02 -0.60 0.00 0.00 0.00 0.00 0.00 30.24 30.66 2pgb n GLN 244 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25