#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pux s VAL 17 N 0.00 5.42 -1.47 1.39 1.01 0.15 -4.10 120.40 122.80 2pux s VAL 17 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 2pux s VAL 17 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2pux s VAL 17 CO 0.00 0.50 0.05 -0.62 0.00 0.00 0.00 175.10 175.03 2pux n GLU 18 N 3.00 -1.63 -0.14 2.72 -0.58 -1.26 -2.46 120.64 120.29 2pux n GLU 18 Ca -0.17 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.40 2pux n GLU 18 Cb 0.53 -5.31 0.00 0.00 -0.57 0.00 0.00 31.44 26.09 2pux n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pux n GLY 19 N -1.05 2.09 3.30 0.62 0.00 -1.26 -4.79 105.19 104.10 2pux n GLY 19 Ca -0.20 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.68 2pux n GLY 19 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2pux s TRP 20 N 1.83 0.18 0.39 1.61 -2.14 -0.32 -4.92 118.94 115.57 2pux s TRP 20 Ca 0.00 -0.56 -0.27 0.00 2.66 0.00 0.00 56.10 57.93 2pux s TRP 20 Cb 0.00 0.02 -0.11 0.00 -3.10 0.00 0.00 33.47 30.28 2pux s TRP 20 CO 0.00 -0.66 1.36 -0.25 -2.66 0.00 0.00 176.95 174.74 2pux n ASP 21 N -0.17 3.08 -4.83 -2.66 8.00 -1.26 -1.42 116.55 117.29 2pux n ASP 21 Ca -0.12 1.17 -0.33 0.00 0.71 0.00 0.00 54.79 56.23 2pux n ASP 21 Cb 0.63 -1.55 -0.07 0.00 -0.02 0.00 0.00 41.12 40.12 2pux n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pux s ALA 22 N -1.14 3.13 0.54 2.24 0.00 -0.39 -4.77 121.76 121.38 2pux s ALA 22 Ca 0.57 0.29 -0.16 0.00 0.00 0.00 0.00 51.96 52.65 2pux s ALA 22 Cb -0.51 -3.03 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 2pux s ALA 22 CO 0.61 0.20 1.01 -1.21 0.00 0.00 0.00 175.76 176.37 2pux s GLU 23 N -3.10 3.71 0.41 0.00 2.02 -1.26 -4.96 118.70 115.52 2pux s GLU 23 Ca 0.59 1.07 -0.26 0.00 0.02 0.00 0.00 54.97 56.39 2pux s GLU 23 Cb -0.10 -2.10 -0.09 0.00 0.10 0.00 0.00 34.13 31.95 2pux s GLU 23 CO 0.15 -0.48 1.40 0.15 0.02 0.00 0.00 175.26 176.50 2pux s LYS 24 N -4.03 3.93 0.00 1.61 1.02 -1.26 -2.28 119.74 118.73 2pux s LYS 24 Ca 0.61 2.37 0.00 0.00 0.02 0.00 0.00 55.97 58.97 2pux s LYS 24 Cb -0.12 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 2pux s LYS 24 CO 0.33 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.56 2pux n GLY 25 N 0.59 0.17 0.24 -3.33 0.00 -1.26 -4.86 105.19 96.74 2pux n GLY 25 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 2pux n GLY 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2pux h ILE 26 N 0.00 0.52 -1.72 -0.61 2.10 -1.83 -3.33 117.51 112.64 2pux h ILE 26 Ca 0.00 -0.90 -0.51 0.00 1.08 0.00 0.00 64.86 64.54 2pux h ILE 26 Cb 0.62 1.62 -0.35 0.00 -1.09 0.00 0.00 36.82 37.61 2pux h ILE 26 CO 0.00 0.18 -1.00 0.00 -1.08 0.00 0.00 178.15 176.25 2pux n ALA 27 N -2.23 1.83 0.10 0.18 0.00 -1.26 -4.99 120.51 114.13 2pux n ALA 27 Ca -0.00 -3.05 0.07 0.00 0.00 0.00 0.00 53.44 50.45 2pux n ALA 27 Cb 0.36 -0.89 0.35 0.00 0.00 0.00 0.00 19.45 19.27 2pux n ALA 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2pux n PRO 28 N 1.57 0.08 0.00 0.00 -0.04 -1.25 -0.80 135.00 134.56 2pux n PRO 28 Ca 0.20 0.58 0.12 0.00 -0.04 0.00 0.00 63.50 64.36 2pux n PRO 28 Cb 0.54 -1.78 0.24 0.00 -0.04 0.00 0.00 33.50 32.47 2pux n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2pux n TRP 29 N -1.95 0.00 -2.00 0.54 2.14 -0.91 -2.00 117.44 113.25 2pux n TRP 29 Ca -0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.14 2pux n TRP 29 Cb 0.02 -0.08 -0.03 0.00 -0.81 0.00 0.00 31.31 30.41 2pux n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2pux s GLN 30 N -2.52 4.24 0.13 -2.67 2.00 0.02 -0.53 119.66 120.32 2pux s GLN 30 Ca 0.22 2.26 0.10 0.00 -2.00 0.00 0.00 55.36 55.94 2pux s GLN 30 Cb 0.19 -3.35 -0.04 0.00 0.80 0.00 0.00 33.01 30.61 2pux s GLN 30 CO 0.55 -0.61 -0.24 0.08 -0.50 0.00 0.00 175.29 174.56 2pux s VAL 31 N 1.71 2.07 -0.20 1.34 1.01 0.42 -4.08 120.40 122.66 2pux s VAL 31 Ca 0.70 -1.71 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 2pux s VAL 31 Cb -0.40 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 2pux s VAL 31 CO 0.31 0.01 -0.02 -0.32 0.00 0.00 0.00 175.10 175.08 2pux s MET 32 N -2.07 3.54 -0.32 2.72 1.75 0.14 -1.41 119.30 123.65 2pux s MET 32 Ca 0.12 -0.56 -0.21 0.00 -1.25 0.00 0.00 55.69 53.79 2pux s MET 32 Cb -0.10 -3.04 -0.00 0.00 2.84 0.00 0.00 34.83 34.53 2pux s MET 32 CO 0.06 -0.03 0.68 -1.17 -0.65 0.00 0.00 175.02 173.90 2pux s LEU 33 N 1.10 4.15 -0.16 4.11 2.96 -0.05 -0.60 118.68 130.19 2pux s LEU 33 Ca 0.02 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 2pux s LEU 33 Cb -0.14 -2.89 0.01 0.00 0.50 0.00 0.00 46.19 43.67 2pux s LEU 33 CO 0.01 -0.56 -0.18 0.12 -1.32 0.00 0.00 176.35 174.42 2pux s PHE 34 N 2.75 2.76 0.21 5.38 2.19 0.04 -0.30 117.98 131.03 2pux s PHE 34 Ca 0.27 -1.34 -0.30 0.00 0.33 0.00 0.00 56.93 55.90 2pux s PHE 34 Cb -0.14 -1.90 -0.08 0.00 -1.31 0.00 0.00 43.02 39.59 2pux s PHE 34 CO 0.13 -0.64 1.08 0.50 1.83 0.00 0.00 175.22 178.12 2pux s ARG 35 N 1.04 4.63 0.10 10.12 3.52 0.45 -0.76 118.95 138.05 2pux s ARG 35 Ca -0.01 1.72 -0.13 0.00 -0.13 0.00 0.00 55.73 57.18 2pux s ARG 35 Cb -0.14 -3.25 -0.14 0.00 -1.56 0.00 0.00 34.95 29.85 2pux s ARG 35 CO -0.05 0.16 1.33 0.87 -0.81 0.00 0.00 175.30 176.79 2pux h LYS 36 N 4.62 0.79 -2.29 5.12 1.57 -1.65 -3.11 116.57 121.62 2pux h LYS 36 Ca -0.45 -0.60 -0.09 0.00 -1.87 0.00 0.00 60.65 57.63 2pux h LYS 36 Cb 1.21 0.11 -0.27 0.00 0.08 0.00 0.00 32.23 33.36 2pux h LYS 36 CO 0.70 1.22 -0.38 0.45 -0.57 0.00 0.00 179.45 180.87 2pux s SER 36 N -7.01 -0.23 0.84 0.86 0.15 -1.26 -3.64 113.70 103.41 2pux s SER 36 Ca -0.11 0.84 -0.11 0.00 0.70 0.00 0.00 55.95 57.27 2pux s SER 36 Cb 0.09 1.38 0.10 0.00 -1.71 0.00 0.00 66.02 65.87 2pux s SER 36 CO 0.89 -0.25 1.09 -2.16 1.20 0.00 0.00 173.24 174.02 2pux s PRO 37 N 2.62 1.72 0.12 5.44 0.04 -1.26 -5.06 135.00 138.63 2pux s PRO 37 Ca 0.02 0.77 -0.31 0.00 0.04 0.00 0.00 61.00 61.52 2pux s PRO 37 Cb -0.13 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 2pux s PRO 37 CO -0.14 -1.90 1.45 -0.65 0.04 0.00 0.00 177.00 175.80 2pux s GLN 38 N -5.03 4.28 -0.23 4.56 -0.21 -1.24 -4.62 119.66 117.17 2pux s GLN 38 Ca 0.62 2.16 -0.26 0.00 0.02 0.00 0.00 55.36 57.90 2pux s GLN 38 Cb -0.16 -3.26 0.08 0.00 1.00 0.00 0.00 33.01 30.67 2pux s GLN 38 CO 0.56 -0.50 0.78 -2.00 -2.12 0.00 0.00 175.29 172.01 2pux s GLU 39 N 1.26 0.80 -0.31 2.91 2.12 -1.18 -4.96 118.70 119.35 2pux s GLU 39 Ca 0.66 0.77 -0.23 0.00 0.36 0.00 0.00 54.97 56.53 2pux s GLU 39 Cb -0.38 0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.39 2pux s GLU 39 CO 0.30 -0.13 0.79 -1.17 -0.54 0.00 0.00 175.26 174.51 2pux s LEU 40 N 0.05 4.09 -0.18 2.70 2.96 -1.26 -0.41 118.68 126.62 2pux s LEU 40 Ca -0.01 0.66 -0.12 0.00 -0.22 0.00 0.00 54.13 54.44 2pux s LEU 40 Cb -0.04 -3.08 -0.21 0.00 0.50 0.00 0.00 46.19 43.36 2pux s LEU 40 CO 0.01 -0.62 0.17 0.18 -1.32 0.00 0.00 176.35 174.78 2pux n LEU 41 N 6.21 2.31 -3.85 -0.68 4.77 0.60 -4.96 117.00 121.40 2pux n LEU 41 Ca 0.04 0.27 -0.04 0.00 -0.03 0.00 0.00 56.01 56.25 2pux n LEU 41 Cb 0.48 -1.01 0.01 0.00 -2.33 0.00 0.00 43.42 40.57 2pux n LEU 41 CO 0.50 0.62 0.78 0.00 -1.33 0.00 0.00 177.39 177.96 2pux n GLY 43 N -0.65 1.21 3.80 0.00 0.00 0.04 -0.87 105.19 108.73 2pux n GLY 43 Ca -0.04 -2.11 0.01 0.00 0.00 0.00 0.00 46.02 43.89 2pux n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pux s ALA 44 N -2.92 -2.23 0.03 4.61 0.00 -0.50 -3.66 121.76 117.10 2pux s ALA 44 Ca 0.57 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.84 2pux s ALA 44 Cb -0.04 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.69 2pux s ALA 44 CO 0.37 -1.09 -0.06 -1.54 0.00 0.00 0.00 175.76 173.44 2pux s SER 45 N -3.35 0.59 -0.19 0.00 1.04 0.20 -0.44 113.70 111.55 2pux s SER 45 Ca 0.21 -0.46 -0.16 0.00 0.48 0.00 0.00 55.95 56.02 2pux s SER 45 Cb 0.02 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 2pux s SER 45 CO -0.01 -0.20 0.42 -0.22 0.98 0.00 0.00 173.24 174.21 2pux s LEU 46 N -1.31 4.16 0.00 2.42 2.96 0.30 0.11 118.68 127.33 2pux s LEU 46 Ca -0.10 0.56 0.06 0.00 -0.22 0.00 0.00 54.13 54.43 2pux s LEU 46 Cb -0.09 -2.56 0.04 0.00 0.50 0.00 0.00 46.19 44.09 2pux s LEU 46 CO -0.00 -0.08 0.66 2.30 -1.32 0.00 0.00 176.35 177.91 2pux n ILE 47 N 4.30 0.00 -3.90 6.68 -0.00 -0.75 -1.82 119.36 123.88 2pux n ILE 47 Ca -0.08 -0.49 -0.01 0.00 -0.00 0.00 0.00 62.75 62.17 2pux n ILE 47 Cb 0.51 1.11 0.02 0.00 -0.00 0.00 0.00 39.64 41.28 2pux n ILE 47 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2pux n SER 48 N 0.26 -1.30 -0.01 7.28 3.41 -1.22 -4.72 113.62 117.32 2pux n SER 48 Ca 0.03 -1.55 0.14 0.00 -0.26 0.00 0.00 58.87 57.23 2pux n SER 48 Cb 0.14 2.09 0.83 0.00 -0.26 0.00 0.00 64.21 67.00 2pux n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2pux n ASP 49 N -1.09 0.03 0.00 4.04 5.75 -1.26 -3.90 116.55 120.12 2pux n ASP 49 Ca 0.00 -1.13 0.00 0.00 -0.01 0.00 0.00 54.79 53.65 2pux n ASP 49 Cb 0.50 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 2pux n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2pux n ARG 50 N -0.92 3.22 -5.03 0.11 1.74 -1.26 -0.32 116.66 114.20 2pux n ARG 50 Ca 0.21 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 57.00 2pux n ARG 50 Cb 0.10 -0.56 -0.15 0.00 -1.02 0.00 0.00 32.46 30.82 2pux n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2pux s TRP 51 N -0.90 2.07 -0.02 -1.55 0.52 -1.25 -0.93 118.94 116.89 2pux s TRP 51 Ca 0.00 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.77 2pux s TRP 51 Cb 0.00 -1.30 -0.01 0.00 -1.15 0.00 0.00 33.47 31.01 2pux s TRP 51 CO 0.00 0.01 -0.15 0.08 0.02 0.00 0.00 176.95 176.91 2pux s VAL 52 N -0.62 1.20 -0.09 4.03 1.01 -0.37 -1.81 120.40 123.76 2pux s VAL 52 Ca 0.09 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 2pux s VAL 52 Cb -0.09 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 2pux s VAL 52 CO -0.00 0.34 -0.01 -0.22 0.00 0.00 0.00 175.10 175.21 2pux s LEU 53 N -0.21 3.49 0.00 3.92 2.96 0.12 0.14 118.68 129.09 2pux s LEU 53 Ca 0.03 0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 2pux s LEU 53 Cb -0.07 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.84 2pux s LEU 53 CO 0.00 0.36 0.28 1.07 -1.32 0.00 0.00 176.35 176.74 2pux n THR 54 N 2.25 0.00 -3.39 3.68 5.66 -0.57 -0.63 114.28 121.28 2pux n THR 54 Ca -0.18 -0.72 -0.36 0.00 -3.05 0.00 0.00 64.05 59.73 2pux n THR 54 Cb 0.53 0.50 -0.06 0.00 -1.55 0.00 0.00 70.33 69.76 2pux n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2pux s ALA 55 N -1.94 3.62 0.26 1.79 0.00 -1.26 -1.16 121.76 123.08 2pux s ALA 55 Ca 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 51.96 51.91 2pux s ALA 55 Cb -0.01 -2.49 0.34 0.00 0.00 0.00 0.00 23.12 20.95 2pux s ALA 55 CO 0.08 0.46 1.79 0.00 0.00 0.00 0.00 175.76 178.10 2pux h ALA 56 N 4.02 1.15 0.00 0.00 0.00 -1.72 -2.66 119.26 120.06 2pux h ALA 56 Ca -0.49 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2pux h ALA 56 Cb 1.20 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2pux h ALA 56 CO 0.64 0.57 0.00 -2.39 0.00 0.00 0.00 179.25 178.08 2pux n HIS 57 N -4.25 0.45 0.36 0.00 1.44 -1.26 -0.91 115.22 111.04 2pux n HIS 57 Ca 0.04 0.20 0.14 0.00 -2.01 0.00 0.00 57.72 56.08 2pux n HIS 57 Cb 0.25 -0.82 0.42 0.00 0.12 0.00 0.00 29.99 29.96 2pux n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2pux n ILE 59 N -2.77 0.68 -3.92 0.00 5.41 -0.09 -4.91 119.36 113.76 2pux n ILE 59 Ca 0.03 -0.25 -0.28 0.00 1.00 0.00 0.00 62.75 63.25 2pux n ILE 59 Cb 0.40 -0.96 -0.17 0.00 -0.71 0.00 0.00 39.64 38.20 2pux n ILE 59 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2pux s LEU 60 N -5.75 1.37 0.23 1.39 2.96 -0.31 -0.96 118.68 117.62 2pux s LEU 60 Ca -0.16 -0.42 -0.16 0.00 -0.22 0.00 0.00 54.13 53.17 2pux s LEU 60 Cb 0.04 -0.91 0.01 0.00 0.50 0.00 0.00 46.19 45.83 2pux s LEU 60 CO 0.27 -0.13 0.53 -0.47 -1.32 0.00 0.00 176.35 175.23 2pux s TYR 60 N 1.65 0.10 0.00 5.38 5.04 0.62 -4.35 117.35 125.79 2pux s TYR 60 Ca 0.04 -0.47 0.00 0.00 -2.44 0.00 0.00 57.07 54.19 2pux s TYR 60 Cb -0.13 0.34 0.00 0.00 0.35 0.00 0.00 41.96 42.52 2pux s TYR 60 CO -0.08 -1.00 0.00 -2.30 -1.34 0.00 0.00 175.55 170.82 2pux n PRO 60 N -0.37 0.00 -0.59 4.97 -0.02 -1.26 -1.55 135.00 136.18 2pux n PRO 60 Ca -0.05 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.51 2pux n PRO 60 Cb 0.62 0.00 0.32 0.00 -0.02 0.00 0.00 33.50 34.42 2pux n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2pux n TRP 60 N 0.00 1.37 -2.61 6.00 5.03 -1.26 -4.92 117.44 121.05 2pux n TRP 60 Ca 0.00 -0.70 -0.21 0.00 3.03 0.00 0.00 57.50 59.62 2pux n TRP 60 Cb 0.00 -0.30 0.01 0.00 -1.03 0.00 0.00 31.31 29.99 2pux n TRP 60 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 2pux n ASP 60 N 0.50 -5.86 -4.63 -0.99 8.00 -1.17 -4.96 116.55 107.44 2pux n ASP 60 Ca 0.23 -0.11 -0.40 0.00 0.71 0.00 0.00 54.79 55.22 2pux n ASP 60 Cb 0.91 -4.81 -0.07 0.00 -0.02 0.00 0.00 41.12 37.13 2pux n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2pux s LYS 60 N -5.25 4.10 -0.50 -1.24 2.20 -0.60 -4.95 119.74 113.50 2pux s LYS 60 Ca 0.11 0.33 0.07 0.00 -0.36 0.00 0.00 55.97 56.11 2pux s LYS 60 Cb -0.05 -3.63 0.21 0.00 -1.51 0.00 0.00 37.83 32.85 2pux s LYS 60 CO 0.13 -0.30 0.75 -1.71 -0.36 0.00 0.00 175.35 173.87 2pux n ASN 60 N 5.34 -2.99 -4.75 1.43 5.15 -1.22 -0.28 115.26 117.94 2pux n ASN 60 Ca -0.04 -3.00 -0.41 0.00 -0.60 0.00 0.00 54.58 50.52 2pux n ASN 60 Cb 0.50 1.57 -0.04 0.00 -0.53 0.00 0.00 39.78 41.28 2pux n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2pux s PHE 60 N 0.70 3.48 0.45 1.20 0.08 -0.13 -5.02 117.98 118.74 2pux s PHE 60 Ca 0.31 1.55 0.08 0.00 0.12 0.00 0.00 56.93 58.99 2pux s PHE 60 Cb 0.08 -3.37 0.01 0.00 -0.57 0.00 0.00 43.02 39.17 2pux s PHE 60 CO -0.12 -0.92 0.47 0.95 -0.10 0.00 0.00 175.22 175.49 2pux s THR 60 N -0.56 2.53 0.59 0.64 -4.23 -1.26 -4.90 115.64 108.45 2pux s THR 60 Ca 0.49 -1.26 0.29 0.00 -1.18 0.00 0.00 61.69 60.03 2pux s THR 60 Cb -0.32 -2.78 0.36 0.00 1.34 0.00 0.00 72.50 71.09 2pux s THR 60 CO 0.39 0.00 2.10 1.05 -0.54 0.00 0.00 174.62 177.62 2pux h GLU 61 N 0.81 0.00 0.00 3.99 -0.00 -1.91 -0.15 114.58 117.33 2pux h GLU 61 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.97 2pux h GLU 61 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.03 2pux h GLU 61 CO 0.53 0.00 -0.18 0.09 -0.00 0.00 0.00 179.01 179.45 2pux n ASN 62 N -3.79 0.39 0.10 3.06 5.03 -1.26 -3.86 115.26 114.93 2pux n ASN 62 Ca 0.02 0.33 0.12 0.00 0.87 0.00 0.00 54.58 55.91 2pux n ASN 62 Cb 0.33 -0.35 0.08 0.00 -1.02 0.00 0.00 39.78 38.83 2pux n ASN 62 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 2pux h ASP 63 N 0.00 0.00 -5.54 6.41 3.32 -1.40 -3.48 116.42 115.73 2pux h ASP 63 Ca 0.00 -0.07 -0.22 0.00 0.02 0.00 0.00 57.03 56.76 2pux h ASP 63 Cb 0.59 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.00 2pux h ASP 63 CO 0.00 0.04 -0.58 -1.48 -1.72 0.00 0.00 179.24 175.50 2pux s LEU 64 N -5.08 1.14 0.21 1.55 0.05 -1.25 -1.68 118.68 113.62 2pux s LEU 64 Ca 0.03 -1.33 0.04 0.00 0.05 0.00 0.00 54.13 52.91 2pux s LEU 64 Cb 0.10 0.49 -0.05 0.00 -2.05 0.00 0.00 46.19 44.68 2pux s LEU 64 CO 0.75 -0.85 -0.02 -0.76 -0.55 0.00 0.00 176.35 174.91 2pux s LEU 65 N -3.14 2.25 -0.02 1.48 1.43 0.06 -4.36 118.68 116.37 2pux s LEU 65 Ca 0.36 -1.17 0.07 0.00 -1.03 0.00 0.00 54.13 52.36 2pux s LEU 65 Cb 0.06 -0.27 -0.02 0.00 0.03 0.00 0.00 46.19 46.00 2pux s LEU 65 CO 0.11 -0.48 -0.22 0.68 0.23 0.00 0.00 176.35 176.66 2pux s VAL 66 N -3.42 2.37 -0.23 -1.59 -7.23 -0.70 -0.78 120.40 108.82 2pux s VAL 66 Ca 0.26 -1.01 -0.01 0.00 -1.81 0.00 0.00 61.98 59.41 2pux s VAL 66 Cb 0.05 -1.86 0.02 0.00 0.56 0.00 0.00 36.38 35.15 2pux s VAL 66 CO 0.07 0.57 -0.10 -0.13 -0.31 0.00 0.00 175.10 175.19 2pux s ARG 67 N -0.69 2.86 -0.06 4.82 0.52 0.23 -1.25 118.95 125.38 2pux s ARG 67 Ca 0.11 -0.95 -0.00 0.00 -0.52 0.00 0.00 55.73 54.37 2pux s ARG 67 Cb -0.10 -2.86 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 2pux s ARG 67 CO -0.00 -0.35 -0.03 0.42 0.02 0.00 0.00 175.30 175.36 2pux s ILE 68 N 1.30 4.02 0.00 1.52 1.01 -0.15 -0.69 121.20 128.22 2pux s ILE 68 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.25 2pux s ILE 68 Cb -0.16 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.62 2pux s ILE 68 CO -0.07 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.04 2pux n GLY 69 N 2.04 0.51 3.88 6.18 0.00 -1.26 -0.48 105.19 116.06 2pux n GLY 69 Ca -0.18 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 2pux n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pux s LYS 70 N -1.25 3.71 0.11 1.61 1.02 -1.26 -4.14 119.74 119.54 2pux s LYS 70 Ca 0.00 0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.54 2pux s LYS 70 Cb 0.00 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 2pux s LYS 70 CO 0.00 -0.23 0.00 1.58 -0.92 0.00 0.00 175.35 175.78 2pux n HIS 71 N -1.90 -0.71 -1.95 3.18 -0.00 -1.26 -4.94 115.22 107.64 2pux n HIS 71 Ca 0.03 0.13 -0.38 0.00 -0.00 0.00 0.00 57.72 57.49 2pux n HIS 71 Cb 0.54 0.25 0.02 0.00 -0.00 0.00 0.00 29.99 30.80 2pux n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2pux s SER 72 N -5.13 5.78 0.11 0.26 0.15 -1.26 -1.21 113.70 112.40 2pux s SER 72 Ca 0.00 2.66 -0.10 0.00 0.70 0.00 0.00 55.95 59.21 2pux s SER 72 Cb 0.00 -2.63 -0.14 0.00 -1.71 0.00 0.00 66.02 61.54 2pux s SER 72 CO 0.00 -1.21 1.29 -0.09 1.20 0.00 0.00 173.24 174.43 2pux h ARG 73 N 1.98 0.66 0.00 5.44 2.43 -1.51 -3.41 114.38 119.97 2pux h ARG 73 Ca -0.50 -0.61 -0.16 0.00 -0.81 0.00 0.00 59.98 57.90 2pux h ARG 73 Cb 1.27 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.94 2pux h ARG 73 CO 0.60 1.22 -1.69 0.25 -1.51 0.00 0.00 179.97 178.83 2pux n THR 74 N -3.87 0.62 -2.06 0.20 -2.24 -1.26 -5.04 114.28 100.63 2pux n THR 74 Ca -0.08 -0.42 -0.34 0.00 -2.27 0.00 0.00 64.05 60.94 2pux n THR 74 Cb 0.79 -0.58 0.02 0.00 -2.10 0.00 0.00 70.33 68.46 2pux n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2pux s ARG 75 N -2.33 3.13 -0.40 -0.78 1.81 -1.26 -4.98 118.95 114.13 2pux s ARG 75 Ca -0.05 1.55 -0.24 0.00 -1.72 0.00 0.00 55.73 55.27 2pux s ARG 75 Cb 0.04 -1.98 0.02 0.00 -0.45 0.00 0.00 34.95 32.57 2pux s ARG 75 CO 0.44 -1.02 0.81 -0.47 -0.68 0.00 0.00 175.30 174.38 2pux s TYR 76 N -1.96 3.05 -1.25 -0.53 6.04 -1.26 -4.88 117.35 116.55 2pux s TYR 76 Ca 0.71 0.44 -0.08 0.00 0.04 0.00 0.00 57.07 58.17 2pux s TYR 76 Cb -0.23 -3.56 0.18 0.00 -1.04 0.00 0.00 41.96 37.31 2pux s TYR 76 CO 0.32 -0.86 1.86 0.39 -1.54 0.00 0.00 175.55 175.73 2pux n GLU 77 N 6.62 3.83 -1.64 4.97 1.02 -1.26 -4.99 120.64 129.19 2pux n GLU 77 Ca 0.03 -3.67 -0.46 0.00 -0.02 0.00 0.00 57.16 53.04 2pux n GLU 77 Cb 0.48 -2.84 -0.03 0.00 -0.02 0.00 0.00 31.44 29.03 2pux n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2pux n ARG 77 N 3.32 1.74 -0.87 3.49 0.63 -1.26 -0.84 116.66 122.87 2pux n ARG 77 Ca 0.40 0.62 0.00 0.00 -0.92 0.00 0.00 57.85 57.95 2pux n ARG 77 Cb 0.35 -2.25 0.00 0.00 0.45 0.00 0.00 32.46 31.01 2pux n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2pux n ASN 78 N 2.28 -0.60 0.04 6.15 3.02 -1.26 -4.73 115.26 120.15 2pux n ASN 78 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2pux n ASN 78 Cb 0.28 -0.88 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 2pux n ASN 78 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2pux n VAL 79 N -2.10 0.86 -2.01 2.41 0.31 -0.40 -5.07 118.33 112.32 2pux n VAL 79 Ca 0.00 0.28 -0.28 0.00 -0.01 0.00 0.00 64.34 64.33 2pux n VAL 79 Cb 0.02 -1.52 0.11 0.00 -0.91 0.00 0.00 33.84 31.54 2pux n VAL 79 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2pux s GLU 80 N -2.00 1.72 -0.03 5.55 -1.05 -0.02 -4.77 118.70 118.09 2pux s GLU 80 Ca 0.00 -0.15 -0.01 0.00 -0.15 0.00 0.00 54.97 54.66 2pux s GLU 80 Cb 0.00 -2.00 0.03 0.00 -0.44 0.00 0.00 34.13 31.72 2pux s GLU 80 CO 0.00 -1.68 0.07 0.15 0.95 0.00 0.00 175.26 174.74 2pux s LYS 81 N -5.54 0.01 -0.29 -4.83 1.02 0.37 -4.88 119.74 105.60 2pux s LYS 81 Ca 0.64 0.22 -0.08 0.00 0.02 0.00 0.00 55.97 56.77 2pux s LYS 81 Cb -0.09 -0.18 -0.01 0.00 -0.52 0.00 0.00 37.83 37.03 2pux s LYS 81 CO 0.49 -0.14 0.11 0.42 -0.92 0.00 0.00 175.35 175.31 2pux s ILE 82 N 0.91 4.39 0.06 2.17 1.01 -1.26 -0.98 121.20 127.49 2pux s ILE 82 Ca -0.07 -0.38 0.09 0.00 0.00 0.00 0.00 60.65 60.29 2pux s ILE 82 Cb -0.10 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 2pux s ILE 82 CO -0.03 0.17 -0.26 -0.44 0.00 0.00 0.00 174.94 174.38 2pux s SER 83 N 1.59 3.24 0.61 3.58 0.01 -0.38 -4.97 113.70 117.38 2pux s SER 83 Ca 0.05 -0.60 -0.07 0.00 1.31 0.00 0.00 55.95 56.64 2pux s SER 83 Cb -0.16 -0.30 0.01 0.00 0.21 0.00 0.00 66.02 65.77 2pux s SER 83 CO 0.05 0.25 0.94 -0.04 0.41 0.00 0.00 173.24 174.85 2pux s MET 84 N -1.36 2.97 -0.05 12.44 -1.94 -1.26 -1.72 119.30 128.39 2pux s MET 84 Ca 0.12 0.14 0.02 0.00 -1.71 0.00 0.00 55.69 54.26 2pux s MET 84 Cb -0.10 -2.22 -0.03 0.00 2.01 0.00 0.00 34.83 34.49 2pux s MET 84 CO 0.03 -0.74 -0.08 -0.51 -0.01 0.00 0.00 175.02 173.71 2pux s LEU 85 N -5.06 3.11 -0.08 -0.03 1.43 -1.26 -1.75 118.68 115.03 2pux s LEU 85 Ca 0.54 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.45 2pux s LEU 85 Cb -0.11 -1.70 -0.29 0.00 0.03 0.00 0.00 46.19 44.13 2pux s LEU 85 CO 0.47 0.34 0.56 -0.08 0.23 0.00 0.00 176.35 177.87 2pux h GLU 86 N 5.08 0.32 -2.89 1.70 4.81 -0.45 -3.43 114.58 119.71 2pux h GLU 86 Ca -0.48 -0.55 -0.03 0.00 -0.13 0.00 0.00 59.36 58.17 2pux h GLU 86 Cb 1.17 0.20 -0.13 0.00 0.63 0.00 0.00 28.75 30.62 2pux h GLU 86 CO 0.52 1.26 0.18 0.21 -0.73 0.00 0.00 179.01 180.46 2pux s LYS 87 N -2.54 1.23 -0.05 1.92 2.47 -1.16 -4.91 119.74 116.70 2pux s LYS 87 Ca -0.19 -0.38 0.03 0.00 -1.56 0.00 0.00 55.97 53.87 2pux s LYS 87 Cb 0.05 0.57 0.00 0.00 -1.46 0.00 0.00 37.83 37.00 2pux s LYS 87 CO 0.81 -0.52 -0.14 0.42 0.16 0.00 0.00 175.35 176.08 2pux s ILE 88 N -3.39 1.24 -0.26 5.43 1.01 -1.26 -0.98 121.20 122.99 2pux s ILE 88 Ca -0.01 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.09 2pux s ILE 88 Cb -0.01 -1.10 0.06 0.00 0.01 0.00 0.00 42.46 41.43 2pux s ILE 88 CO -0.10 0.37 -0.09 -0.31 0.00 0.00 0.00 174.94 174.82 2pux s TYR 89 N 0.33 3.09 0.06 3.97 1.51 -0.00 -5.00 117.35 121.31 2pux s TYR 89 Ca -0.09 -2.24 -0.16 0.00 -1.01 0.00 0.00 57.07 53.57 2pux s TYR 89 Cb -0.13 -1.91 -0.06 0.00 -0.11 0.00 0.00 41.96 39.75 2pux s TYR 89 CO 0.03 -0.86 0.49 0.08 -1.11 0.00 0.00 175.55 174.18 2pux s VAL 90 N 1.16 4.89 0.17 0.71 1.01 -1.26 -0.84 120.40 126.24 2pux s VAL 90 Ca -0.07 0.96 -0.33 0.00 0.00 0.00 0.00 61.98 62.54 2pux s VAL 90 Cb -0.20 -3.78 -0.13 0.00 0.00 0.00 0.00 36.38 32.27 2pux s VAL 90 CO -0.06 0.50 1.62 1.57 0.00 0.00 0.00 175.10 178.73 2pux n HIS 91 N 1.56 2.40 0.31 5.22 -0.00 -0.78 -4.84 115.22 119.08 2pux n HIS 91 Ca -0.11 0.21 0.20 0.00 0.46 0.00 0.00 57.72 58.48 2pux n HIS 91 Cb 0.52 -2.58 1.04 0.00 -0.12 0.00 0.00 29.99 28.85 2pux n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2pux h PRO 92 N 6.19 0.00 -0.14 1.57 0.13 -1.94 -2.39 132.00 135.42 2pux h PRO 92 Ca -0.44 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 2pux h PRO 92 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2pux h PRO 92 CO 0.91 0.00 -0.16 0.54 -0.23 0.00 0.00 178.00 179.05 2pux n ARG 93 N -2.93 1.80 -1.83 0.86 5.12 -1.26 -5.00 116.66 113.41 2pux n ARG 93 Ca -0.02 -2.99 -0.42 0.00 -1.93 0.00 0.00 57.85 52.48 2pux n ARG 93 Cb 0.10 -1.68 -0.03 0.00 -1.16 0.00 0.00 32.46 29.69 2pux n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2pux s TYR 94 N -3.07 2.33 -1.10 -1.55 5.04 -0.90 -4.72 117.35 113.37 2pux s TYR 94 Ca 0.39 0.18 -0.11 0.00 -2.44 0.00 0.00 57.07 55.09 2pux s TYR 94 Cb 0.35 -4.06 0.24 0.00 0.35 0.00 0.00 41.96 38.85 2pux s TYR 94 CO 0.00 -4.28 1.15 1.21 -1.34 0.00 0.00 175.55 172.29 2pux s ASN 95 N 2.49 7.19 0.28 4.32 3.84 0.30 -4.84 114.94 128.51 2pux s ASN 95 Ca 0.77 -3.31 0.13 0.00 0.21 0.00 0.00 52.86 50.65 2pux s ASN 95 Cb -0.43 -2.26 0.34 0.00 -0.55 0.00 0.00 41.25 38.35 2pux s ASN 95 CO 0.34 -0.45 1.58 4.11 -2.79 0.00 0.00 177.10 179.89 2pux h TRP 96 N 6.97 0.00 -0.44 0.43 5.08 -1.91 0.30 115.95 126.39 2pux h TRP 96 Ca 0.20 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.09 2pux h TRP 96 Cb 0.90 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.04 2pux h TRP 96 CO 0.88 0.60 -0.05 0.00 -1.28 0.00 0.00 178.44 178.59 2pux h ARG 97 N 0.00 0.74 0.00 0.12 3.08 -2.00 -3.42 114.38 112.90 2pux h ARG 97 Ca -0.01 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 2pux h ARG 97 Cb 1.17 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 2pux h ARG 97 CO 0.08 0.78 -0.58 -1.91 -1.07 0.00 0.00 179.97 177.27 2pux n GLU 97 N -4.20 0.29 -0.13 0.04 2.13 -1.24 -4.97 120.64 112.56 2pux n GLU 97 Ca 0.02 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.96 2pux n GLU 97 Cb 0.32 -1.01 0.00 0.00 0.27 0.00 0.00 31.44 31.02 2pux n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2pux n ASN 98 N -4.02 0.16 -2.14 4.31 0.23 -1.21 -4.90 115.26 107.69 2pux n ASN 98 Ca -0.08 -1.35 -0.18 0.00 -0.53 0.00 0.00 54.58 52.44 2pux n ASN 98 Cb 0.30 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 2pux n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2pux n LEU 99 N -0.06 -1.97 -4.76 -4.53 4.77 0.10 -4.95 117.00 105.61 2pux n LEU 99 Ca 0.00 -0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.50 2pux n LEU 99 Cb 0.54 -2.57 -0.01 0.00 -2.33 0.00 0.00 43.42 39.05 2pux n LEU 99 CO 0.00 -0.10 1.21 -0.62 -1.33 0.00 0.00 177.39 176.55 2pux s ASP 100 N -2.33 6.37 -1.08 -1.43 3.68 -1.21 -2.67 116.67 117.99 2pux s ASP 100 Ca 0.06 2.97 -0.01 0.00 2.13 0.00 0.00 52.55 57.70 2pux s ASP 100 Cb -0.03 -2.64 0.00 0.00 -1.45 0.00 0.00 42.92 38.80 2pux s ASP 100 CO 0.07 -0.89 0.91 0.54 0.13 0.00 0.00 175.17 175.93 2pux n ARG 101 N 1.65 -6.03 -2.44 4.34 1.74 -1.26 -0.54 116.66 114.13 2pux n ARG 101 Ca 0.06 0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 57.47 2pux n ARG 101 Cb 0.38 -5.51 -0.00 0.00 -1.02 0.00 0.00 32.46 26.31 2pux n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2pux n ASP 102 N -2.86 4.70 -3.71 0.55 2.03 -1.09 -4.36 116.55 111.80 2pux n ASP 102 Ca -0.23 -2.90 -0.14 0.00 0.52 0.00 0.00 54.79 52.04 2pux n ASP 102 Cb 0.64 -1.73 -0.09 0.00 -0.72 0.00 0.00 41.12 39.22 2pux n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2pux s ILE 103 N 4.42 0.02 -0.01 5.18 2.07 -1.26 -3.64 121.20 127.97 2pux s ILE 103 Ca 0.54 -0.14 -0.09 0.00 -1.41 0.00 0.00 60.65 59.54 2pux s ILE 103 Cb 0.05 -0.66 0.01 0.00 0.13 0.00 0.00 42.46 41.99 2pux s ILE 103 CO 0.06 -0.08 0.19 0.00 -1.91 0.00 0.00 174.94 173.20 2pux s ALA 104 N -0.39 -0.46 -0.10 1.50 0.00 -0.31 -1.87 121.76 120.13 2pux s ALA 104 Ca -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 2pux s ALA 104 Cb -0.03 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2pux s ALA 104 CO 0.03 -0.21 -0.06 -0.51 0.00 0.00 0.00 175.76 175.01 2pux s LEU 105 N -1.18 3.18 -0.14 0.00 1.43 -0.02 -1.51 118.68 120.43 2pux s LEU 105 Ca -0.13 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2pux s LEU 105 Cb -0.06 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 2pux s LEU 105 CO 0.02 0.29 -0.16 -0.76 0.23 0.00 0.00 176.35 175.97 2pux s LEU 106 N -0.37 2.47 -0.25 1.79 1.43 0.12 -0.82 118.68 123.05 2pux s LEU 106 Ca 0.05 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.60 2pux s LEU 106 Cb -0.12 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 2pux s LEU 106 CO 0.02 0.11 0.16 -0.75 0.23 0.00 0.00 176.35 176.12 2pux s LYS 107 N 0.66 4.02 0.54 1.70 2.20 -0.15 -1.23 119.74 127.47 2pux s LYS 107 Ca -0.08 -0.29 -0.19 0.00 -0.36 0.00 0.00 55.97 55.04 2pux s LYS 107 Cb -0.16 -3.55 -0.06 0.00 -1.51 0.00 0.00 37.83 32.55 2pux s LYS 107 CO 0.02 -0.00 1.11 -0.51 -0.36 0.00 0.00 175.35 175.61 2pux s LEU 108 N 1.24 3.74 0.10 5.43 1.43 -0.10 0.18 118.68 130.70 2pux s LEU 108 Ca 0.07 2.12 -0.17 0.00 -1.03 0.00 0.00 54.13 55.12 2pux s LEU 108 Cb -0.14 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.45 2pux s LEU 108 CO 0.06 -1.16 1.57 0.50 0.23 0.00 0.00 176.35 177.55 2pux h LYS 109 N 1.19 0.50 -5.58 1.70 3.64 -1.61 -3.38 116.57 113.03 2pux h LYS 109 Ca -0.50 -0.14 -0.46 0.00 -1.27 0.00 0.00 60.65 58.29 2pux h LYS 109 Cb 1.25 -0.06 -0.22 0.00 -0.41 0.00 0.00 32.23 32.80 2pux h LYS 109 CO 0.57 0.61 -0.80 0.15 -2.27 0.00 0.00 179.45 177.71 2pux s LYS 110 N -5.16 0.93 0.51 1.90 1.02 -1.26 -4.92 119.74 112.75 2pux s LYS 110 Ca -0.13 -0.98 -0.21 0.00 0.02 0.00 0.00 55.97 54.66 2pux s LYS 110 Cb 0.08 -1.01 -0.06 0.00 -0.52 0.00 0.00 37.83 36.32 2pux s LYS 110 CO 0.75 0.23 1.18 -1.25 -0.92 0.00 0.00 175.35 175.34 2pux s PRO 111 N -1.69 3.49 -0.17 -1.68 0.04 -1.26 -4.89 135.00 128.84 2pux s PRO 111 Ca 0.01 1.79 -0.10 0.00 0.04 0.00 0.00 61.00 62.74 2pux s PRO 111 Cb -0.10 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 2pux s PRO 111 CO 0.03 -0.78 0.16 0.54 0.04 0.00 0.00 177.00 176.99 2pux s VAL 112 N -1.58 5.41 0.31 -0.36 0.11 0.57 -5.01 120.40 119.84 2pux s VAL 112 Ca 0.68 0.27 -0.29 0.00 -2.93 0.00 0.00 61.98 59.71 2pux s VAL 112 Cb -0.29 -3.48 -0.10 0.00 -1.53 0.00 0.00 36.38 30.98 2pux s VAL 112 CO 0.34 0.48 1.23 -2.84 -3.33 0.00 0.00 175.10 170.98 2pux s PRO 113 N -0.01 4.46 0.62 1.54 0.02 -1.26 -4.72 135.00 135.65 2pux s PRO 113 Ca 0.11 2.06 -0.09 0.00 0.02 0.00 0.00 61.00 63.10 2pux s PRO 113 Cb -0.12 -3.12 -0.01 0.00 0.02 0.00 0.00 34.50 31.27 2pux s PRO 113 CO 0.01 -0.04 0.99 -0.06 -0.33 0.00 0.00 177.00 177.57 2pux s PHE 114 N -1.13 3.47 0.13 6.54 0.08 -1.26 -4.93 117.98 120.87 2pux s PHE 114 Ca 0.47 1.04 -0.04 0.00 0.12 0.00 0.00 56.93 58.52 2pux s PHE 114 Cb -0.37 -2.77 0.02 0.00 -0.57 0.00 0.00 43.02 39.33 2pux s PHE 114 CO 0.48 -0.80 0.24 -1.13 -0.10 0.00 0.00 175.22 173.91 2pux n SER 115 N -2.73 -0.69 0.27 1.36 3.41 -0.36 -4.94 113.62 109.96 2pux n SER 115 Ca 0.05 -1.56 0.13 0.00 -0.26 0.00 0.00 58.87 57.23 2pux n SER 115 Cb 0.56 1.17 0.78 0.00 -0.26 0.00 0.00 64.21 66.46 2pux n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2pux h ASP 116 N 0.66 0.00 -0.01 4.04 3.32 -1.99 -2.91 116.42 119.53 2pux h ASP 116 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2pux h ASP 116 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2pux h ASP 116 CO 0.14 0.07 -0.15 -1.22 -1.72 0.00 0.00 179.24 176.36 2pux n TYR 117 N -3.82 0.00 -3.81 4.55 4.01 -1.26 -4.76 117.16 112.08 2pux n TYR 117 Ca -0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.43 2pux n TYR 117 Cb 0.17 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.04 2pux n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2pux s ILE 118 N -1.46 0.93 -0.25 -0.72 1.01 -1.10 -4.13 121.20 115.49 2pux s ILE 118 Ca 0.14 -0.90 -0.19 0.00 0.00 0.00 0.00 60.65 59.70 2pux s ILE 118 Cb 0.12 -1.38 0.07 0.00 0.01 0.00 0.00 42.46 41.27 2pux s ILE 118 CO 0.27 -0.22 0.64 -2.28 0.00 0.00 0.00 174.94 173.35 2pux s HIS 119 N 1.66 -0.83 0.56 3.97 2.46 -0.85 -1.22 115.29 121.04 2pux s HIS 119 Ca -0.02 1.84 -0.18 0.00 0.47 0.00 0.00 55.06 57.18 2pux s HIS 119 Cb -0.18 0.38 -0.05 0.00 -0.13 0.00 0.00 32.58 32.60 2pux s HIS 119 CO -0.09 -0.41 1.07 -1.25 -2.47 0.00 0.00 174.74 171.60 2pux s PRO 120 N 0.87 3.40 0.28 2.88 0.04 -1.26 -2.15 135.00 139.07 2pux s PRO 120 Ca -0.04 1.37 -0.00 0.00 0.04 0.00 0.00 61.00 62.36 2pux s PRO 120 Cb -0.05 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2pux s PRO 120 CO -0.07 -0.76 0.48 0.54 0.04 0.00 0.00 177.00 177.22 2pux s VAL 121 N -2.15 5.14 0.34 -0.36 0.11 -0.76 -4.91 120.40 117.82 2pux s VAL 121 Ca 0.67 -0.42 -0.17 0.00 -2.93 0.00 0.00 61.98 59.14 2pux s VAL 121 Cb -0.18 -3.80 -0.09 0.00 -1.53 0.00 0.00 36.38 30.77 2pux s VAL 121 CO 0.30 -0.38 0.78 0.00 -3.33 0.00 0.00 175.10 172.47 2pux s LEU 123 N -2.97 4.42 0.57 0.00 1.43 -1.26 -0.65 118.68 120.22 2pux s LEU 123 Ca 0.55 0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 54.35 2pux s LEU 123 Cb -0.10 -2.73 -0.05 0.00 0.03 0.00 0.00 46.19 43.34 2pux s LEU 123 CO 0.17 0.27 1.14 -2.16 0.23 0.00 0.00 176.35 175.99 2pux s PRO 124 N -1.41 3.21 0.45 1.29 0.04 -1.26 -4.90 135.00 132.42 2pux s PRO 124 Ca 0.27 1.60 0.07 0.00 0.04 0.00 0.00 61.00 62.98 2pux s PRO 124 Cb -0.15 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2pux s PRO 124 CO 0.15 -0.96 0.25 0.16 0.04 0.00 0.00 177.00 176.64 2pux s ASP 125 N -1.88 4.55 0.17 6.66 3.84 -1.26 -4.87 116.67 123.89 2pux s ASP 125 Ca 0.72 -1.09 -0.16 0.00 -0.00 0.00 0.00 52.55 52.02 2pux s ASP 125 Cb -0.24 -0.25 0.13 0.00 -1.38 0.00 0.00 42.92 41.18 2pux s ASP 125 CO 0.30 -0.70 1.67 0.50 -0.00 0.00 0.00 175.17 176.94 2pux h LYS 126 N 1.21 0.03 -0.52 2.11 3.64 -1.99 -1.72 116.57 119.34 2pux h LYS 126 Ca -0.41 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.04 2pux h LYS 126 Cb 1.27 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.02 2pux h LYS 126 CO 0.65 0.02 0.19 0.37 -2.27 0.00 0.00 179.45 178.42 2pux h GLN 127 N 0.03 0.36 -0.52 1.90 -0.00 -1.99 0.11 115.11 115.01 2pux h GLN 127 Ca 0.21 -0.02 -0.10 0.00 -0.00 0.00 0.00 58.65 58.74 2pux h GLN 127 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.71 2pux h GLN 127 CO -0.42 0.24 -0.08 1.15 0.00 0.00 0.00 178.83 179.71 2pux h THR 128 N 0.37 1.27 -0.46 2.39 2.02 -1.86 -2.04 112.91 114.60 2pux h THR 128 Ca 0.25 -1.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.12 2pux h THR 128 Cb 0.27 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2pux h THR 128 CO -0.25 0.43 -0.07 0.58 0.37 0.00 0.00 175.52 176.58 2pux h VAL 129 N 0.84 1.27 0.00 3.16 2.07 -0.61 -1.50 116.25 121.47 2pux h VAL 129 Ca 0.14 -1.17 -0.13 0.00 0.82 0.00 0.00 66.70 66.36 2pux h VAL 129 Cb 0.64 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2pux h VAL 129 CO 0.04 0.40 -0.61 0.71 0.02 0.00 0.00 177.57 178.14 2pux h THR 129 N 0.70 1.43 0.00 2.57 1.35 -0.76 -1.78 112.91 116.42 2pux h THR 129 Ca 0.12 -2.08 -0.21 0.00 -0.55 0.00 0.00 66.41 63.69 2pux h THR 129 Cb 0.60 2.13 -0.03 0.00 -1.73 0.00 0.00 68.15 69.11 2pux h THR 129 CO 0.04 0.59 -1.27 0.77 -0.25 0.00 0.00 175.52 175.41 2pux h SER 129 N 0.00 0.00 0.00 5.36 4.64 -1.32 -3.42 113.55 118.80 2pux h SER 129 Ca -0.01 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 2pux h SER 129 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2pux h SER 129 CO 0.08 0.81 -1.36 0.18 -0.87 0.00 0.00 176.83 175.67 2pux n LEU 129 N -3.11 0.00 -3.78 5.97 4.77 -0.57 -4.79 117.00 115.50 2pux n LEU 129 Ca -0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.48 2pux n LEU 129 Cb 0.92 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 2pux n LEU 129 CO 0.44 0.07 2.41 -0.11 -1.33 0.00 0.00 177.39 178.87 2pux n LEU 130 N -1.95 6.80 -4.12 2.23 7.94 -0.67 -4.74 117.00 122.49 2pux n LEU 130 Ca -0.05 -4.34 -0.13 0.00 -1.11 0.00 0.00 56.01 50.38 2pux n LEU 130 Cb 0.40 -1.59 -0.11 0.00 0.53 0.00 0.00 43.42 42.65 2pux n LEU 130 CO 0.14 1.22 -0.41 0.00 -1.11 0.00 0.00 177.39 177.23 2pux s ARG 131 N 2.11 0.68 0.11 1.96 1.70 -1.26 -4.92 118.95 119.33 2pux s ARG 131 Ca 0.44 -0.97 -0.36 0.00 -0.47 0.00 0.00 55.73 54.38 2pux s ARG 131 Cb 0.12 -0.39 -0.16 0.00 -0.57 0.00 0.00 34.95 33.95 2pux s ARG 131 CO -0.05 0.06 1.28 0.00 -1.08 0.00 0.00 175.30 175.50 2pux n ALA 132 N 0.98 -0.98 0.00 7.88 0.00 -1.26 -0.93 120.51 126.20 2pux n ALA 132 Ca -0.19 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2pux n ALA 132 Cb 0.56 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2pux n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pux n GLY 133 N 2.34 3.14 3.74 0.00 0.00 0.14 -4.92 105.19 109.62 2pux n GLY 133 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2pux n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pux s TYR 134 N -2.16 3.61 0.09 1.61 1.51 -0.10 -4.58 117.35 117.34 2pux s TYR 134 Ca 0.00 1.61 -0.17 0.00 -1.01 0.00 0.00 57.07 57.50 2pux s TYR 134 Cb 0.00 -3.25 -0.07 0.00 -0.11 0.00 0.00 41.96 38.53 2pux s TYR 134 CO 0.00 -0.53 0.54 0.15 -1.11 0.00 0.00 175.55 174.59 2pux s LYS 135 N -0.24 4.07 0.38 -0.62 1.02 -1.26 -1.03 119.74 122.07 2pux s LYS 135 Ca 0.50 0.60 0.06 0.00 0.02 0.00 0.00 55.97 57.14 2pux s LYS 135 Cb -0.29 -3.13 -0.07 0.00 -0.52 0.00 0.00 37.83 33.82 2pux s LYS 135 CO 0.34 0.59 0.02 0.20 -0.92 0.00 0.00 175.35 175.58 2pux s GLY 136 N -1.32 2.37 -0.03 -3.33 0.00 0.18 -4.85 107.32 100.33 2pux s GLY 136 Ca 0.31 -2.23 0.07 0.00 0.00 0.00 0.00 44.72 42.88 2pux s GLY 136 CO 0.18 -2.01 -0.24 -1.60 0.00 0.00 0.00 173.10 169.43 2pux s ARG 137 N -3.76 2.03 -0.02 2.90 3.52 0.80 -0.39 118.95 124.03 2pux s ARG 137 Ca 0.35 -0.85 0.07 0.00 -0.13 0.00 0.00 55.73 55.17 2pux s ARG 137 Cb 0.09 -1.91 -0.02 0.00 -1.56 0.00 0.00 34.95 31.56 2pux s ARG 137 CO 0.17 0.49 -0.22 0.08 -0.81 0.00 0.00 175.30 175.00 2pux s VAL 138 N -0.48 1.77 0.13 7.11 1.01 -0.03 -0.41 120.40 129.50 2pux s VAL 138 Ca 0.07 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.15 2pux s VAL 138 Cb -0.10 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2pux s VAL 138 CO -0.00 0.50 -0.13 0.42 0.00 0.00 0.00 175.10 175.89 2pux s THR 139 N -0.52 1.30 0.00 3.92 -4.23 -1.25 -1.55 115.64 113.30 2pux s THR 139 Ca 0.09 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 2pux s THR 139 Cb -0.09 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 72.15 2pux s THR 139 CO -0.01 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 2pux n GLY 140 N 0.35 0.55 0.90 3.99 0.00 -0.64 -4.58 105.19 105.75 2pux n GLY 140 Ca -0.14 -0.98 0.07 0.00 0.00 0.00 0.00 46.02 44.98 2pux n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2pux n TRP 141 N -0.38 0.94 -1.08 1.61 8.01 -1.26 -0.86 117.44 124.41 2pux n TRP 141 Ca 0.00 -0.95 -0.29 0.00 -1.31 0.00 0.00 57.50 54.94 2pux n TRP 141 Cb 0.00 -0.33 0.21 0.00 -2.01 0.00 0.00 31.31 29.18 2pux n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2pux s GLY 142 N -2.02 1.57 0.50 6.99 0.00 -1.26 -4.71 107.32 108.40 2pux s GLY 142 Ca 0.42 -0.66 -0.23 0.00 0.00 0.00 0.00 44.72 44.25 2pux s GLY 142 CO 0.08 0.10 1.33 0.70 0.00 0.00 0.00 173.10 175.31 2pux n ASN 143 N -4.54 2.69 0.23 1.64 3.02 -0.12 -2.63 115.26 115.54 2pux n ASN 143 Ca 0.09 1.02 0.14 0.00 -0.03 0.00 0.00 54.58 55.80 2pux n ASN 143 Cb 0.58 -1.56 0.38 0.00 -0.61 0.00 0.00 39.78 38.58 2pux n ASN 143 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2pux h LEU 144 N 1.69 0.00 -7.73 3.41 3.38 -0.56 -1.36 115.31 114.14 2pux h LEU 144 Ca -0.50 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.39 2pux h LEU 144 Cb 1.30 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.91 2pux h LEU 144 CO 0.58 0.00 -0.32 -0.13 0.09 0.00 0.00 178.44 178.66 2pux s ARG 145 N -3.37 0.87 0.26 1.13 1.81 -1.26 -4.19 118.95 114.19 2pux s ARG 145 Ca 0.05 -0.87 -0.02 0.00 -1.72 0.00 0.00 55.73 53.16 2pux s ARG 145 Cb 0.07 0.36 0.45 0.00 -0.45 0.00 0.00 34.95 35.38 2pux s ARG 145 CO 0.61 -0.29 1.82 1.49 -0.68 0.00 0.00 175.30 178.25 2pux h GLU 146 N 2.76 0.84 -4.11 3.54 4.81 -1.89 -3.45 114.58 117.08 2pux h GLU 146 Ca -0.34 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 58.63 2pux h GLU 146 Cb 1.21 -0.19 -0.10 0.00 0.63 0.00 0.00 28.75 30.30 2pux h GLU 146 CO 0.54 0.55 -0.26 -0.08 -0.73 0.00 0.00 179.01 179.03 2pux s THR 147 N -6.00 0.00 0.00 0.32 -1.32 -1.26 -4.97 115.64 102.41 2pux s THR 147 Ca -0.12 -1.64 0.00 0.00 -1.21 0.00 0.00 61.69 58.72 2pux s THR 147 Cb 0.20 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.71 2pux s THR 147 CO 0.79 0.00 0.00 -2.67 -2.21 0.00 0.00 174.62 170.53 2pux n TRP 148 N -0.46 0.00 -0.35 9.09 2.14 -1.26 -4.97 117.44 121.63 2pux n TRP 148 Ca 0.01 0.00 -0.01 0.00 2.07 0.00 0.00 57.50 59.57 2pux n TRP 148 Cb 0.62 0.00 0.03 0.00 -0.81 0.00 0.00 31.31 31.16 2pux n TRP 148 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 2pux n THR 149 N 0.00 -0.48 -4.77 -1.67 -1.04 -1.26 -5.06 114.28 100.00 2pux n THR 149 Ca 0.00 2.12 -0.27 0.00 -2.04 0.00 0.00 64.05 63.86 2pux n THR 149 Cb 0.00 -2.79 -0.14 0.00 -1.82 0.00 0.00 70.33 65.57 2pux n THR 149 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2pux s ASN 149 N -5.33 2.70 0.32 8.00 0.01 -1.26 -5.03 114.94 114.35 2pux s ASN 149 Ca -0.12 -0.53 0.04 0.00 -0.71 0.00 0.00 52.86 51.53 2pux s ASN 149 Cb 0.18 -0.24 0.64 0.00 0.41 0.00 0.00 41.25 42.24 2pux s ASN 149 CO 0.64 0.20 1.90 0.40 -1.51 0.00 0.00 177.10 178.73 2pux h ILE 149 N 4.34 0.98 0.00 0.60 1.08 -2.02 -2.65 117.51 119.84 2pux h ILE 149 Ca -0.43 -0.31 -0.00 0.00 -0.39 0.00 0.00 64.86 63.73 2pux h ILE 149 Cb 1.15 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.91 2pux h ILE 149 CO 0.44 0.16 -0.00 -0.55 -0.69 0.00 0.00 178.15 177.51 2pux h ASN 149 N 0.90 0.00 0.42 1.72 -0.00 -1.95 -1.96 115.58 114.70 2pux h ASN 149 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.71 2pux h ASN 149 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.70 2pux h ASN 149 CO -0.17 0.00 0.00 1.05 -0.00 0.00 0.00 177.43 178.31 2pux h GLU 149 N 0.00 0.00 -0.09 4.14 4.11 -1.91 -2.99 114.58 117.84 2pux h GLU 149 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2pux h GLU 149 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2pux h GLU 149 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 179.01 179.52 2pux n ILE 150 N -2.76 0.29 -3.70 -1.06 -5.35 -0.74 -4.89 119.36 101.16 2pux n ILE 150 Ca -0.01 -0.64 -0.37 0.00 -0.27 0.00 0.00 62.75 61.46 2pux n ILE 150 Cb 0.16 0.99 -0.11 0.00 -1.74 0.00 0.00 39.64 38.94 2pux n ILE 150 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2pux s GLN 151 N -0.83 3.92 0.50 6.28 -0.21 -1.13 0.01 119.66 128.19 2pux s GLN 151 Ca 0.13 -0.35 -0.20 0.00 0.02 0.00 0.00 55.36 54.96 2pux s GLN 151 Cb 0.08 -3.50 -0.08 0.00 1.00 0.00 0.00 33.01 30.52 2pux s GLN 151 CO 0.12 -0.07 1.07 -1.25 -2.12 0.00 0.00 175.29 173.04 2pux s PRO 152 N 1.38 3.70 0.06 2.91 0.04 -1.26 -4.98 135.00 136.85 2pux s PRO 152 Ca 0.06 1.44 0.13 0.00 0.04 0.00 0.00 61.00 62.68 2pux s PRO 152 Cb -0.15 -2.10 -0.16 0.00 0.04 0.00 0.00 34.50 32.13 2pux s PRO 152 CO 0.06 -0.53 0.91 0.66 0.04 0.00 0.00 177.00 178.15 2pux h SER 153 N 1.53 0.00 -4.98 6.66 4.64 -1.97 -3.43 113.55 116.00 2pux h SER 153 Ca -0.50 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.59 2pux h SER 153 Cb 1.23 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 2pux h SER 153 CO 0.59 0.80 -0.65 0.68 -0.87 0.00 0.00 176.83 177.37 2pux s VAL 154 N -2.77 0.37 0.13 0.95 -7.23 -1.26 -1.42 120.40 109.17 2pux s VAL 154 Ca -0.02 -1.95 -0.35 0.00 -1.81 0.00 0.00 61.98 57.85 2pux s VAL 154 Cb 0.08 -2.12 -0.16 0.00 0.56 0.00 0.00 36.38 34.75 2pux s VAL 154 CO 0.81 -0.43 1.31 -0.11 -0.31 0.00 0.00 175.10 176.36 2pux n LEU 155 N -0.18 1.82 -4.76 1.32 7.94 -0.35 -4.85 117.00 117.95 2pux n LEU 155 Ca -0.05 1.12 -0.28 0.00 -1.11 0.00 0.00 56.01 55.69 2pux n LEU 155 Cb 0.64 -1.23 -0.06 0.00 0.53 0.00 0.00 43.42 43.29 2pux n LEU 155 CO 0.32 -1.03 -0.26 -1.10 -1.11 0.00 0.00 177.39 174.21 2pux s GLN 156 N 0.19 2.79 0.05 1.96 -1.52 -0.04 -1.26 119.66 121.82 2pux s GLN 156 Ca 0.79 -0.82 0.05 0.00 -1.95 0.00 0.00 55.36 53.43 2pux s GLN 156 Cb -0.88 -2.63 -0.02 0.00 -0.22 0.00 0.00 33.01 29.26 2pux s GLN 156 CO 0.48 0.52 -0.13 0.54 -0.25 0.00 0.00 175.29 176.45 2pux s VAL 157 N -1.54 1.04 -0.06 1.09 0.11 -0.51 -1.62 120.40 118.90 2pux s VAL 157 Ca 0.29 -1.08 -0.15 0.00 -2.93 0.00 0.00 61.98 58.11 2pux s VAL 157 Cb -0.11 -0.97 0.03 0.00 -1.53 0.00 0.00 36.38 33.80 2pux s VAL 157 CO 0.22 -0.10 0.36 0.54 -3.33 0.00 0.00 175.10 172.78 2pux s VAL 158 N -1.01 0.03 -0.14 2.04 0.11 -0.59 -1.17 120.40 119.66 2pux s VAL 158 Ca -0.01 -0.27 -0.04 0.00 -2.93 0.00 0.00 61.98 58.73 2pux s VAL 158 Cb -0.09 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.13 2pux s VAL 158 CO 0.01 -0.15 -0.01 0.20 -3.33 0.00 0.00 175.10 171.83 2pux s ASN 159 N -0.76 5.07 0.00 3.54 0.01 -1.26 -0.85 114.94 120.69 2pux s ASN 159 Ca -0.08 -0.02 0.02 0.00 -0.71 0.00 0.00 52.86 52.07 2pux s ASN 159 Cb -0.04 -1.72 -0.01 0.00 0.41 0.00 0.00 41.25 39.89 2pux s ASN 159 CO 0.03 0.23 -0.05 -0.76 -1.51 0.00 0.00 177.10 175.04 2pux s LEU 160 N 0.02 2.05 0.10 0.60 1.43 0.47 -4.96 118.68 118.40 2pux s LEU 160 Ca 0.02 -0.17 -0.23 0.00 -1.03 0.00 0.00 54.13 52.73 2pux s LEU 160 Cb -0.13 -0.23 -0.07 0.00 0.03 0.00 0.00 46.19 45.80 2pux s LEU 160 CO 0.02 0.01 0.69 -2.16 0.23 0.00 0.00 176.35 175.14 2pux s PRO 161 N -0.37 4.41 0.45 1.29 0.04 -1.26 -0.65 135.00 138.91 2pux s PRO 161 Ca -0.00 0.96 -0.24 0.00 0.04 0.00 0.00 61.00 61.76 2pux s PRO 161 Cb -0.03 -3.28 -0.08 0.00 0.04 0.00 0.00 34.50 31.15 2pux s PRO 161 CO -0.00 0.53 1.27 0.42 0.04 0.00 0.00 177.00 179.26 2pux s ILE 162 N -0.87 2.66 0.02 0.56 1.01 -0.20 -1.26 121.20 123.13 2pux s ILE 162 Ca 0.33 0.54 0.06 0.00 0.00 0.00 0.00 60.65 61.58 2pux s ILE 162 Cb -0.21 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 2pux s ILE 162 CO 0.22 0.04 -0.14 -0.69 0.00 0.00 0.00 174.94 174.38 2pux s VAL 163 N -1.35 3.11 0.35 2.92 1.01 -0.62 0.26 120.40 126.07 2pux s VAL 163 Ca 0.62 -1.01 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 2pux s VAL 163 Cb -0.36 -2.32 -0.12 0.00 0.00 0.00 0.00 36.38 33.59 2pux s VAL 163 CO 0.44 0.37 1.25 -0.62 0.00 0.00 0.00 175.10 176.55 2pux n GLU 164 N 1.60 2.01 -0.30 2.72 4.71 -1.26 -4.61 120.64 125.50 2pux n GLU 164 Ca -0.16 0.71 0.02 0.00 -0.01 0.00 0.00 57.16 57.72 2pux n GLU 164 Cb 0.52 -2.29 0.15 0.00 -1.01 0.00 0.00 31.44 28.82 2pux n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 2pux h ARG 165 N 2.40 0.88 -0.58 3.49 2.43 -1.99 -0.87 114.38 120.14 2pux h ARG 165 Ca -0.46 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.62 2pux h ARG 165 Cb 1.29 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 2pux h ARG 165 CO 0.62 0.58 0.18 -1.35 -1.51 0.00 0.00 179.97 178.49 2pux h PRO 166 N 0.90 0.87 -0.47 0.20 0.11 -1.99 -0.50 132.00 131.12 2pux h PRO 166 Ca 0.39 -0.16 -0.10 0.00 0.11 0.00 0.00 66.00 66.24 2pux h PRO 166 Cb 0.26 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 2pux h PRO 166 CO -0.20 0.75 -0.09 0.28 -0.21 0.00 0.00 178.00 178.53 2pux h VAL 167 N 0.85 1.27 -0.08 3.15 2.07 -1.75 -1.33 116.25 120.42 2pux h VAL 167 Ca 0.19 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.52 2pux h VAL 167 Cb 0.24 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2pux h VAL 167 CO -0.01 0.41 0.03 0.00 0.02 0.00 0.00 177.57 178.03 2pux h LYS 169 N 0.07 0.85 0.00 0.00 1.57 -0.97 -2.34 116.57 115.74 2pux h LYS 169 Ca 0.03 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2pux h LYS 169 Cb 0.01 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2pux h LYS 169 CO -0.03 0.56 -0.25 0.00 -0.57 0.00 0.00 179.45 179.16 2pux h ALA 170 N 1.57 0.97 -0.00 3.86 0.00 -0.88 -3.23 119.26 121.54 2pux h ALA 170 Ca 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2pux h ALA 170 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2pux h ALA 170 CO -0.12 0.31 -0.03 -1.13 0.00 0.00 0.00 179.25 178.29 2pux n SER 171 N -3.34 0.09 -3.79 0.00 3.41 -0.88 -4.90 113.62 104.21 2pux n SER 171 Ca 0.01 -0.25 -0.11 0.00 -0.26 0.00 0.00 58.87 58.26 2pux n SER 171 Cb 0.48 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 64.12 2pux n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2pux s THR 172 N -2.54 0.10 -0.42 6.66 -1.32 -1.22 -4.82 115.64 112.07 2pux s THR 172 Ca 0.29 -0.81 0.23 0.00 -1.21 0.00 0.00 61.69 60.19 2pux s THR 172 Cb 0.20 -1.01 0.19 0.00 -1.51 0.00 0.00 72.50 70.37 2pux s THR 172 CO 0.46 -0.45 1.41 0.08 -2.21 0.00 0.00 174.62 173.91 2pux h ARG 173 N 3.15 0.00 -6.95 7.08 0.11 -1.90 -3.47 114.38 112.40 2pux h ARG 173 Ca -0.32 0.00 -0.52 0.00 0.10 0.00 0.00 59.98 59.24 2pux h ARG 173 Cb 1.20 0.00 0.07 0.00 1.11 0.00 0.00 29.97 32.35 2pux h ARG 173 CO 0.48 0.00 0.57 0.42 0.10 0.00 0.00 179.97 181.54 2pux s ILE 174 N -3.25 2.81 -0.37 0.08 1.01 -1.26 -4.94 121.20 115.28 2pux s ILE 174 Ca 0.05 0.70 -0.29 0.00 0.00 0.00 0.00 60.65 61.11 2pux s ILE 174 Cb 0.08 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 39.15 2pux s ILE 174 CO 0.71 0.08 1.39 -0.60 0.00 0.00 0.00 174.94 176.52 2pux s ARG 175 N -2.30 3.67 -0.02 2.79 3.52 -1.26 -4.99 118.95 120.36 2pux s ARG 175 Ca 0.58 1.05 -0.23 0.00 -0.13 0.00 0.00 55.73 57.00 2pux s ARG 175 Cb -0.35 -3.99 -0.05 0.00 -1.56 0.00 0.00 34.95 29.01 2pux s ARG 175 CO 0.44 -1.44 0.68 0.42 -0.81 0.00 0.00 175.30 174.60 2pux s ILE 176 N 5.15 4.94 0.48 4.11 -1.09 -1.26 -4.85 121.20 128.68 2pux s ILE 176 Ca 0.60 1.42 0.07 0.00 -2.23 0.00 0.00 60.65 60.52 2pux s ILE 176 Cb -0.15 -4.02 0.01 0.00 -1.58 0.00 0.00 42.46 36.72 2pux s ILE 176 CO 0.30 0.33 0.42 0.42 -1.23 0.00 0.00 174.94 175.17 2pux s THR 177 N 0.32 2.23 -0.85 2.92 -4.23 -1.26 -5.00 115.64 109.77 2pux s THR 177 Ca 0.36 -1.38 0.18 0.00 -1.18 0.00 0.00 61.69 59.67 2pux s THR 177 Cb -0.18 -2.61 0.17 0.00 1.34 0.00 0.00 72.50 71.22 2pux s THR 177 CO 0.19 0.00 1.57 0.47 -0.54 0.00 0.00 174.62 176.30 2pux n ASP 178 N -1.68 0.20 -0.41 3.99 8.00 -1.26 -2.46 116.55 122.94 2pux n ASP 178 Ca 0.03 0.55 0.03 0.00 0.71 0.00 0.00 54.79 56.10 2pux n ASP 178 Cb 0.63 -0.59 0.08 0.00 -0.02 0.00 0.00 41.12 41.22 2pux n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pux n ASN 179 N -1.72 1.13 -3.98 -2.24 3.02 -1.26 -4.85 115.26 105.37 2pux n ASN 179 Ca 0.03 -2.04 -0.08 0.00 -0.03 0.00 0.00 54.58 52.46 2pux n ASN 179 Cb 0.20 -0.19 -0.09 0.00 -0.61 0.00 0.00 39.78 39.09 2pux n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pux s MET 180 N -1.71 0.67 0.13 3.52 0.23 -1.03 -0.98 119.30 120.14 2pux s MET 180 Ca 0.12 -1.04 -0.02 0.00 -1.03 0.00 0.00 55.69 53.72 2pux s MET 180 Cb 0.07 0.25 -0.04 0.00 -1.53 0.00 0.00 34.83 33.58 2pux s MET 180 CO 0.07 -0.17 0.07 -0.59 -2.03 0.00 0.00 175.02 172.38 2pux s PHE 181 N -3.60 0.79 0.16 3.16 -0.12 -0.02 -4.79 117.98 113.56 2pux s PHE 181 Ca 0.04 -1.17 0.06 0.00 -0.05 0.00 0.00 56.93 55.81 2pux s PHE 181 Cb 0.05 -0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 2pux s PHE 181 CO -0.09 -0.53 -0.14 0.00 -0.05 0.00 0.00 175.22 174.41 2pux s ALA 183 N -2.75 0.03 0.00 0.00 0.00 -0.61 -1.59 121.76 116.84 2pux s ALA 183 Ca 0.17 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2pux s ALA 183 Cb -0.02 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.51 2pux s ALA 183 CO 0.04 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.75 2pux n GLY 184 N 0.01 3.11 3.87 0.00 0.00 -0.39 -1.83 105.19 109.97 2pux n GLY 184 Ca -0.15 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 2pux n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pux s PHE 184 N -2.00 3.42 0.76 1.61 0.40 -1.26 -4.44 117.98 116.48 2pux s PHE 184 Ca 0.00 1.01 -0.13 0.00 -0.60 0.00 0.00 56.93 57.21 2pux s PHE 184 Cb 0.00 -2.38 0.06 0.00 0.51 0.00 0.00 43.02 41.21 2pux s PHE 184 CO 0.00 0.10 1.14 0.15 0.70 0.00 0.00 175.22 177.32 2pux s LYS 185 N -3.22 2.09 0.00 0.44 -0.14 -1.26 -4.79 119.74 112.86 2pux s LYS 185 Ca 0.50 1.48 0.00 0.00 -1.36 0.00 0.00 55.97 56.59 2pux s LYS 185 Cb -0.11 -1.85 0.00 0.00 -1.68 0.00 0.00 37.83 34.19 2pux s LYS 185 CO 0.23 -1.82 0.52 1.55 -0.76 0.00 0.00 175.35 175.08 2pux n VAL 186 N -3.16 0.42 -2.69 3.17 3.14 -1.26 -1.50 118.33 116.45 2pux n VAL 186 Ca 0.11 0.39 -0.07 0.00 -2.96 0.00 0.00 64.34 61.81 2pux n VAL 186 Cb 0.52 -1.39 0.08 0.00 -1.06 0.00 0.00 33.84 31.99 2pux n VAL 186 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2pux n ASN 186 N -1.02 -0.43 -4.99 6.55 2.04 -1.26 -4.83 115.26 111.31 2pux n ASN 186 Ca 0.00 -2.51 -0.19 0.00 -0.44 0.00 0.00 54.58 51.44 2pux n ASN 186 Cb 0.28 0.33 0.02 0.00 -2.53 0.00 0.00 39.78 37.88 2pux n ASN 186 CO 0.00 0.00 0.00 -1.81 -0.44 0.00 0.00 177.26 175.01 2pux s ASP 186 N -2.06 5.60 -0.02 0.53 1.01 -0.56 -5.02 116.67 116.15 2pux s ASP 186 Ca 0.23 -0.20 -0.20 0.00 0.71 0.00 0.00 52.55 53.09 2pux s ASP 186 Cb 0.42 -0.88 -0.12 0.00 1.01 0.00 0.00 42.92 43.35 2pux s ASP 186 CO -0.04 -0.82 0.85 0.00 0.21 0.00 0.00 175.17 175.36 2pux h THR 186 N 0.48 0.28 -4.23 -1.27 1.03 -2.00 -3.46 112.91 103.75 2pux h THR 186 Ca -0.42 -0.66 -0.52 0.00 -0.01 0.00 0.00 66.41 64.79 2pux h THR 186 Cb 1.28 0.45 0.16 0.00 -1.07 0.00 0.00 68.15 68.97 2pux h THR 186 CO 0.49 0.06 0.32 -0.54 -0.01 0.00 0.00 175.52 175.85 2pux s LYS 186 N -3.76 1.81 0.29 0.00 1.02 -1.26 -5.08 119.74 112.76 2pux s LYS 186 Ca -0.11 1.58 0.02 0.00 0.02 0.00 0.00 55.97 57.48 2pux s LYS 186 Cb 0.01 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 2pux s LYS 186 CO 0.36 -2.05 0.12 1.03 -0.92 0.00 0.00 175.35 173.90 2pux s ARG 187 N -4.32 1.53 0.00 1.68 0.52 -1.26 -4.81 118.95 112.29 2pux s ARG 187 Ca 0.69 -1.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.04 2pux s ARG 187 Cb -0.25 -0.26 0.00 0.00 0.52 0.00 0.00 34.95 34.96 2pux s ARG 187 CO 0.51 -0.36 0.00 0.41 0.02 0.00 0.00 175.30 175.88 2pux n GLY 188 N -0.56 4.09 0.00 -3.53 0.00 -1.26 -4.84 105.19 99.10 2pux n GLY 188 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2pux n GLY 188 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pux n ASP 189 N 0.00 0.00 -4.83 1.61 2.03 -1.03 -4.60 116.55 109.73 2pux n ASP 189 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 2pux n ASP 189 Cb 0.00 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.49 2pux n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pux s ALA 190 N -2.00 3.02 0.37 -1.67 0.00 -1.26 -0.67 121.76 119.55 2pux s ALA 190 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 2pux s ALA 190 Cb 0.00 -2.63 0.03 0.00 0.00 0.00 0.00 23.12 20.52 2pux s ALA 190 CO 0.00 -1.49 0.64 0.00 0.00 0.00 0.00 175.76 174.91 2pux n GLU 192 N -0.56 0.97 0.00 0.00 4.07 -1.26 -0.42 120.64 123.45 2pux n GLU 192 Ca -0.04 0.34 0.00 0.00 -0.06 0.00 0.00 57.16 57.40 2pux n GLU 192 Cb 0.61 -2.09 0.00 0.00 -0.06 0.00 0.00 31.44 29.90 2pux n GLU 192 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2pux n GLY 193 N 4.96 2.40 0.10 8.31 0.00 -1.26 -0.94 105.19 118.76 2pux n GLY 193 Ca 0.32 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.46 2pux n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pux h ASP 194 N 0.30 0.00 -2.12 1.61 3.32 -1.08 -3.28 116.42 115.17 2pux h ASP 194 Ca 0.00 -0.10 -0.63 0.00 0.02 0.00 0.00 57.03 56.32 2pux h ASP 194 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 2pux h ASP 194 CO 0.00 0.05 0.20 0.00 -1.72 0.00 0.00 179.24 177.77 2pux n ALA 195 N -1.93 -0.60 0.00 3.45 0.00 -1.26 -0.83 120.51 119.35 2pux n ALA 195 Ca 0.03 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2pux n ALA 195 Cb 0.47 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.90 2pux n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pux n GLY 196 N 1.74 2.57 3.73 0.00 0.00 0.32 -0.78 105.19 112.78 2pux n GLY 196 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2pux n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pux s GLY 197 N -2.09 1.57 0.14 -0.02 0.00 -0.01 -3.01 107.32 103.89 2pux s GLY 197 Ca 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 44.72 44.19 2pux s GLY 197 CO 0.00 0.13 0.40 2.56 0.00 0.00 0.00 173.10 176.19 2pux s PRO 198 N -5.13 3.67 -0.31 2.90 0.04 -1.26 -0.76 135.00 134.14 2pux s PRO 198 Ca 0.65 0.01 -0.07 0.00 0.04 0.00 0.00 61.00 61.63 2pux s PRO 198 Cb -0.17 -2.85 0.02 0.00 0.04 0.00 0.00 34.50 31.55 2pux s PRO 198 CO 0.56 0.46 0.09 0.12 0.04 0.00 0.00 177.00 178.27 2pux s PHE 199 N -1.63 3.19 0.23 0.56 2.19 0.11 -3.80 117.98 118.83 2pux s PHE 199 Ca 0.40 -1.17 0.10 0.00 0.33 0.00 0.00 56.93 56.59 2pux s PHE 199 Cb -0.12 -2.26 -0.04 0.00 -1.31 0.00 0.00 43.02 39.28 2pux s PHE 199 CO 0.23 -0.65 -0.11 0.14 1.83 0.00 0.00 175.22 176.66 2pux s VAL 200 N 1.46 3.00 0.01 3.12 -7.23 0.45 -1.30 120.40 119.91 2pux s VAL 200 Ca 0.01 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.25 2pux s VAL 200 Cb -0.18 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 2pux s VAL 200 CO 0.03 -0.25 -0.04 -0.04 -0.31 0.00 0.00 175.10 174.48 2pux s MET 201 N -3.20 0.35 -0.39 4.82 -1.94 0.26 -0.14 119.30 119.05 2pux s MET 201 Ca 0.27 -0.27 -0.16 0.00 -1.71 0.00 0.00 55.69 53.83 2pux s MET 201 Cb -0.07 -0.28 0.01 0.00 2.01 0.00 0.00 34.83 36.50 2pux s MET 201 CO 0.16 0.07 0.38 0.21 -0.01 0.00 0.00 175.02 175.83 2pux s LYS 202 N -0.41 3.21 0.00 2.03 2.20 -1.26 0.41 119.74 125.91 2pux s LYS 202 Ca -0.01 -0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 54.57 2pux s LYS 202 Cb -0.03 -3.92 -0.06 0.00 -1.51 0.00 0.00 37.83 32.31 2pux s LYS 202 CO -0.00 -0.73 1.50 0.45 -0.36 0.00 0.00 175.35 176.21 2pux s SER 203 N 1.76 6.76 0.27 1.43 0.15 0.13 -4.89 113.70 119.30 2pux s SER 203 Ca 0.10 2.21 0.24 0.00 0.70 0.00 0.00 55.95 59.21 2pux s SER 203 Cb -0.17 -2.56 0.98 0.00 -1.71 0.00 0.00 66.02 62.56 2pux s SER 203 CO 0.12 -0.80 1.73 -2.65 1.20 0.00 0.00 173.24 172.84 2pux n PRO 204 N 5.74 0.21 -0.02 5.44 -0.02 -1.26 -0.55 135.00 144.54 2pux n PRO 204 Ca 0.14 0.41 -0.17 0.00 -2.02 0.00 0.00 63.50 61.86 2pux n PRO 204 Cb 0.43 -1.88 -0.08 0.00 -0.02 0.00 0.00 33.50 31.94 2pux n PRO 204 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2pux h PHE 204 N 0.00 0.87 0.00 6.00 0.04 -1.96 -3.39 116.94 118.49 2pux h PHE 204 Ca 0.00 -0.39 0.00 0.00 2.80 0.00 0.00 57.97 60.38 2pux h PHE 204 Cb 0.41 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.43 2pux h PHE 204 CO 0.00 1.20 0.00 0.27 -0.60 0.00 0.00 178.31 179.18 2pux n ASN 204 N -4.10 0.77 -0.56 2.17 2.04 -1.18 -5.01 115.26 109.39 2pux n ASN 204 Ca -0.08 -1.38 -0.07 0.00 -0.44 0.00 0.00 54.58 52.61 2pux n ASN 204 Cb 0.68 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.89 2pux n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 2pux n ASN 205 N -0.19 -4.62 -4.91 0.53 5.15 0.29 -5.00 115.26 106.51 2pux n ASN 205 Ca 0.00 0.18 -0.26 0.00 -0.60 0.00 0.00 54.58 53.90 2pux n ASN 205 Cb 0.39 -2.76 -0.04 0.00 -0.53 0.00 0.00 39.78 36.84 2pux n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2pux s ARG 206 N -2.27 3.29 -0.09 1.20 0.52 -1.24 -4.84 118.95 115.52 2pux s ARG 206 Ca 0.00 -0.68 -0.17 0.00 -0.52 0.00 0.00 55.73 54.36 2pux s ARG 206 Cb 0.00 -2.87 -0.05 0.00 0.52 0.00 0.00 34.95 32.55 2pux s ARG 206 CO 0.00 0.51 0.46 -1.58 0.02 0.00 0.00 175.30 174.70 2pux s TRP 207 N -1.76 3.56 0.01 -0.53 0.52 -1.26 -0.69 118.94 118.79 2pux s TRP 207 Ca 0.34 0.90 0.08 0.00 0.02 0.00 0.00 56.10 57.44 2pux s TRP 207 Cb -0.11 -2.49 -0.03 0.00 -1.15 0.00 0.00 33.47 29.70 2pux s TRP 207 CO 0.27 0.27 -0.24 0.71 0.02 0.00 0.00 176.95 177.98 2pux s TYR 208 N 0.24 2.39 -0.49 -1.98 2.02 0.16 -2.01 117.35 117.69 2pux s TYR 208 Ca 0.25 -0.38 -0.19 0.00 -0.37 0.00 0.00 57.07 56.38 2pux s TYR 208 Cb -0.15 -1.46 0.05 0.00 -0.40 0.00 0.00 41.96 39.99 2pux s TYR 208 CO 0.11 0.08 0.60 -1.14 -1.57 0.00 0.00 175.55 173.63 2pux s GLN 209 N -0.97 3.14 0.03 -0.62 0.74 0.18 -0.57 119.66 121.58 2pux s GLN 209 Ca 0.11 -0.81 0.13 0.00 0.05 0.00 0.00 55.36 54.84 2pux s GLN 209 Cb -0.10 -4.06 -0.19 0.00 1.10 0.00 0.00 33.01 29.76 2pux s GLN 209 CO 0.01 -1.15 0.86 0.52 -0.55 0.00 0.00 175.29 174.98 2pux h MET 210 N 8.94 0.00 -4.15 1.67 2.86 -1.52 -3.37 114.93 119.36 2pux h MET 210 Ca -0.27 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.22 2pux h MET 210 Cb 1.10 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.63 2pux h MET 210 CO 0.93 0.54 -0.41 0.20 1.06 0.00 0.00 176.91 179.24 2pux s GLY 211 N -4.93 0.95 -0.10 8.32 0.00 -0.87 -1.72 107.32 108.97 2pux s GLY 211 Ca -0.03 -1.28 0.03 0.00 0.00 0.00 0.00 44.72 43.44 2pux s GLY 211 CO 0.82 -1.05 -0.20 -0.42 0.00 0.00 0.00 173.10 172.25 2pux s ILE 212 N -4.07 1.75 0.02 0.90 1.01 -1.02 -0.71 121.20 119.07 2pux s ILE 212 Ca 0.29 -0.83 -0.32 0.00 0.00 0.00 0.00 60.65 59.79 2pux s ILE 212 Cb 0.04 -1.54 -0.10 0.00 0.01 0.00 0.00 42.46 40.87 2pux s ILE 212 CO 0.08 0.49 1.91 0.52 0.00 0.00 0.00 174.94 177.94 2pux n VAL 213 N 3.73 0.61 -0.00 2.92 0.31 0.06 -1.35 118.33 124.60 2pux n VAL 213 Ca -0.20 -0.11 -0.01 0.00 -0.01 0.00 0.00 64.34 64.01 2pux n VAL 213 Cb 0.52 -2.11 -0.00 0.00 -0.91 0.00 0.00 33.84 31.34 2pux n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2pux n SER 214 N 6.74 0.40 -3.68 4.52 2.88 -0.49 -0.52 113.62 123.46 2pux n SER 214 Ca 0.20 0.06 -0.10 0.00 -1.33 0.00 0.00 58.87 57.71 2pux n SER 214 Cb 0.36 -0.30 -0.03 0.00 -0.75 0.00 0.00 64.21 63.49 2pux n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2pux s TRP 215 N -1.37 -0.21 0.25 0.66 1.48 -0.96 -4.85 118.94 113.94 2pux s TRP 215 Ca -0.03 -0.12 -0.18 0.00 -1.06 0.00 0.00 56.10 54.71 2pux s TRP 215 Cb 0.00 0.44 0.02 0.00 -1.16 0.00 0.00 33.47 32.78 2pux s TRP 215 CO 0.05 -0.92 0.60 0.20 -4.06 0.00 0.00 176.95 172.82 2pux s GLY 216 N -2.85 0.07 -0.62 3.67 0.00 -1.26 -0.06 107.32 106.26 2pux s GLY 216 Ca 0.07 -0.42 -0.06 0.00 0.00 0.00 0.00 44.72 44.31 2pux s GLY 216 CO -0.04 -0.27 0.47 -0.54 0.00 0.00 0.00 173.10 172.71 2pux s GLU 217 N -3.93 2.72 1.08 2.90 2.02 -1.26 -4.97 118.70 117.26 2pux s GLU 217 Ca 0.14 -2.32 0.00 0.00 0.02 0.00 0.00 54.97 52.80 2pux s GLU 217 Cb -0.03 -3.90 0.00 0.00 0.10 0.00 0.00 34.13 30.30 2pux s GLU 217 CO 0.05 -1.19 0.00 0.41 0.02 0.00 0.00 175.26 174.54 2pux n GLY 219 N 3.94 -1.99 2.90 -1.39 0.00 -1.26 -4.79 105.19 102.60 2pux n GLY 219 Ca 0.05 -1.46 -0.19 0.00 0.00 0.00 0.00 46.02 44.42 2pux n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pux n ASP 221 N 3.93 -5.17 -4.68 0.00 2.03 -1.26 -4.47 116.55 106.93 2pux n ASP 221 Ca -0.25 -0.17 -0.42 0.00 0.52 0.00 0.00 54.79 54.48 2pux n ASP 221 Cb 0.51 -4.25 -0.03 0.00 -0.72 0.00 0.00 41.12 36.63 2pux n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2pux s ARG 221 N -5.52 4.35 0.37 -0.67 0.52 -1.26 -4.94 118.95 111.80 2pux s ARG 221 Ca 0.21 1.16 -0.28 0.00 -0.52 0.00 0.00 55.73 56.30 2pux s ARG 221 Cb -0.10 -3.55 -0.11 0.00 0.52 0.00 0.00 34.95 31.71 2pux s ARG 221 CO 0.26 -0.30 1.41 0.15 0.02 0.00 0.00 175.30 176.84 2pux s LYS 222 N 2.03 4.17 0.00 3.54 -0.14 -1.26 -1.12 119.74 126.96 2pux s LYS 222 Ca 0.42 2.42 0.00 0.00 -1.36 0.00 0.00 55.97 57.45 2pux s LYS 222 Cb -0.17 -2.98 0.00 0.00 -1.68 0.00 0.00 37.83 33.00 2pux s LYS 222 CO 0.15 -0.42 0.00 0.41 -0.76 0.00 0.00 175.35 174.73 2pux n GLY 223 N 0.59 1.44 3.62 -3.33 0.00 -1.26 -4.99 105.19 101.26 2pux n GLY 223 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 2pux n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pux s LYS 224 N -0.50 2.22 0.05 1.61 -0.14 -0.28 -4.73 119.74 117.98 2pux s LYS 224 Ca 0.00 -1.37 0.01 0.00 -1.36 0.00 0.00 55.97 53.25 2pux s LYS 224 Cb 0.00 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.96 2pux s LYS 224 CO 0.00 0.39 -0.05 0.71 -0.76 0.00 0.00 175.35 175.64 2pux s TYR 225 N -2.13 0.55 0.32 3.18 2.02 -1.26 -4.76 117.35 115.27 2pux s TYR 225 Ca 0.29 -0.75 -0.24 0.00 -0.37 0.00 0.00 57.07 56.00 2pux s TYR 225 Cb -0.07 -0.36 -0.10 0.00 -0.40 0.00 0.00 41.96 41.03 2pux s TYR 225 CO 0.18 -0.21 0.91 0.20 -1.57 0.00 0.00 175.55 175.06 2pux s GLY 226 N -2.21 2.70 -0.02 0.71 0.00 -0.76 -4.65 107.32 103.10 2pux s GLY 226 Ca -0.03 0.44 0.02 0.00 0.00 0.00 0.00 44.72 45.15 2pux s GLY 226 CO -0.04 0.84 -0.04 -1.36 0.00 0.00 0.00 173.10 172.51 2pux s PHE 227 N -1.69 2.99 0.05 1.90 0.40 0.91 -1.58 117.98 120.95 2pux s PHE 227 Ca 0.51 0.04 0.05 0.00 -0.60 0.00 0.00 56.93 56.93 2pux s PHE 227 Cb -0.17 -1.66 -0.02 0.00 0.51 0.00 0.00 43.02 41.68 2pux s PHE 227 CO 0.22 0.41 -0.16 0.71 0.70 0.00 0.00 175.22 177.10 2pux s TYR 228 N -0.99 1.36 -0.03 0.36 1.51 0.11 -1.39 117.35 118.27 2pux s TYR 228 Ca 0.17 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.56 2pux s TYR 228 Cb -0.11 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 2pux s TYR 228 CO 0.07 0.06 1.21 0.99 -1.11 0.00 0.00 175.55 176.76 2pux s THR 229 N -0.89 4.21 -0.88 -0.71 2.01 -0.46 -0.84 115.64 118.08 2pux s THR 229 Ca 0.03 1.55 -0.25 0.00 0.31 0.00 0.00 61.69 63.32 2pux s THR 229 Cb -0.08 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.46 2pux s THR 229 CO 0.02 0.02 1.51 -2.28 -0.69 0.00 0.00 174.62 173.19 2pux s HIS 230 N 2.01 2.27 0.19 4.92 2.46 -0.15 -2.44 115.29 124.56 2pux s HIS 230 Ca 0.57 -0.24 -0.12 0.00 0.47 0.00 0.00 55.06 55.74 2pux s HIS 230 Cb -0.26 -4.53 0.22 0.00 -0.13 0.00 0.00 32.58 27.88 2pux s HIS 230 CO 0.23 -1.99 1.74 0.28 -2.47 0.00 0.00 174.74 172.53 2pux h VAL 231 N 6.63 0.78 -0.90 0.89 2.07 -1.65 -2.47 116.25 121.60 2pux h VAL 231 Ca -0.01 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.53 2pux h VAL 231 Cb 1.04 0.40 -0.09 0.00 -1.52 0.00 0.00 31.29 31.12 2pux h VAL 231 CO 1.33 0.06 0.52 0.15 0.02 0.00 0.00 177.57 179.66 2pux h PHE 232 N 0.35 0.93 -0.02 1.57 3.57 -1.87 -0.36 116.94 121.10 2pux h PHE 232 Ca 0.27 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.81 2pux h PHE 232 Cb 0.32 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 2pux h PHE 232 CO -0.18 0.30 0.01 0.00 -2.23 0.00 0.00 178.31 176.21 2pux h ARG 233 N 0.78 0.00 -0.60 1.11 2.47 -1.82 -1.94 114.38 114.38 2pux h ARG 233 Ca 0.47 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.19 2pux h ARG 233 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2pux h ARG 233 CO -0.31 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.50 2pux n LEU 234 N -4.33 3.88 -0.22 3.04 4.32 -0.19 -4.58 117.00 118.91 2pux n LEU 234 Ca -0.03 -2.14 0.04 0.00 -0.02 0.00 0.00 56.01 53.86 2pux n LEU 234 Cb 0.10 -0.45 0.29 0.00 -1.62 0.00 0.00 43.42 41.75 2pux n LEU 234 CO 0.32 0.88 1.23 0.50 -1.22 0.00 0.00 177.39 179.10 2pux h LYS 235 N 3.58 0.88 -0.75 3.23 3.64 -0.83 -1.95 116.57 124.36 2pux h LYS 235 Ca 0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 2pux h LYS 235 Cb 1.05 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 2pux h LYS 235 CO 0.06 0.58 0.33 0.00 -2.27 0.00 0.00 179.45 178.15 2pux h ARG 236 N 0.91 1.10 -0.58 1.90 3.08 -1.81 -0.73 114.38 118.25 2pux h ARG 236 Ca 0.32 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 60.09 2pux h ARG 236 Cb 0.12 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2pux h ARG 236 CO -0.10 0.87 -0.04 2.35 -1.07 0.00 0.00 179.97 181.97 2pux h TRP 237 N 1.08 1.17 -0.51 3.04 7.01 -1.71 -0.18 115.95 125.85 2pux h TRP 237 Ca 0.26 -0.22 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 2pux h TRP 237 Cb 0.16 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 26.90 2pux h TRP 237 CO 0.02 1.04 0.29 0.82 -2.79 0.00 0.00 178.44 177.82 2pux h ILE 238 N 0.96 1.16 -0.34 2.65 2.04 -0.94 -0.75 117.51 122.29 2pux h ILE 238 Ca 0.16 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2pux h ILE 238 Cb 0.61 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2pux h ILE 238 CO 0.04 0.17 0.14 -0.61 0.00 0.00 0.00 178.15 177.89 2pux h GLN 239 N 0.68 0.50 -0.21 2.37 4.15 -0.95 -1.60 115.11 120.05 2pux h GLN 239 Ca 0.18 -0.09 0.03 0.00 0.77 0.00 0.00 58.65 59.54 2pux h GLN 239 Cb 0.01 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 2pux h GLN 239 CO -0.03 0.49 0.03 -0.22 -1.93 0.00 0.00 178.83 177.17 2pux h LYS 240 N 0.40 0.10 0.04 1.69 3.64 -0.74 -1.89 116.57 119.81 2pux h LYS 240 Ca 0.11 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2pux h LYS 240 Cb 0.17 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2pux h LYS 240 CO -0.01 0.07 -0.02 0.28 -2.27 0.00 0.00 179.45 177.50 2pux h VAL 241 N 0.10 1.11 -0.24 2.00 2.07 -1.05 -2.32 116.25 117.93 2pux h VAL 241 Ca 0.10 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.17 2pux h VAL 241 Cb 0.10 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2pux h VAL 241 CO -0.14 0.12 0.03 0.40 0.02 0.00 0.00 177.57 178.00 2pux h ILE 242 N -0.26 0.87 0.00 4.57 5.03 -1.20 3.33 117.51 129.85 2pux h ILE 242 Ca -0.01 -0.04 0.00 0.00 -0.12 0.00 0.00 64.86 64.69 2pux h ILE 242 Cb 0.24 0.74 0.00 0.00 -3.03 0.00 0.00 36.82 34.77 2pux h ILE 242 CO 0.01 0.02 0.00 -0.90 -0.68 0.00 0.00 178.15 176.60 2pux n ASP 243 N -5.10 0.12 -0.09 1.72 5.75 -0.72 -2.76 116.55 115.47 2pux n ASP 243 Ca -0.01 0.51 -0.13 0.00 -0.01 0.00 0.00 54.79 55.15 2pux n ASP 243 Cb 0.11 -0.55 -0.14 0.00 -1.03 0.00 0.00 41.12 39.51 2pux n ASP 243 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2pux n GLN 244 N -1.62 0.68 -2.63 0.11 7.27 -0.83 -4.98 117.38 115.37 2pux n GLN 244 Ca 0.06 0.10 -0.07 0.00 0.07 0.00 0.00 57.00 57.16 2pux n GLN 244 Cb 0.34 -1.57 0.03 0.00 2.41 0.00 0.00 30.24 31.45 2pux n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2pux n PHE 245 N -2.99 -0.87 -0.55 3.69 3.72 1.09 -5.06 117.46 116.50 2pux n PHE 245 Ca -0.34 0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2pux n PHE 245 Cb 1.09 -2.93 0.00 0.00 -0.94 0.00 0.00 39.48 36.70 2pux n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12