#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2za5 s VAL 17 N 0.00 5.26 0.00 1.39 1.01 0.01 -3.98 120.40 124.10 2za5 s VAL 17 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2za5 s VAL 17 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2za5 s VAL 17 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2za5 n GLY 18 N 3.11 -0.91 7.00 4.51 0.00 -1.24 -2.54 105.19 115.12 2za5 n GLY 18 Ca -0.17 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2za5 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2za5 n GLY 19 N 0.00 0.90 3.81 -0.02 0.00 -1.26 -4.84 105.19 103.78 2za5 n GLY 19 Ca 0.00 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 2za5 n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2za5 s GLN 20 N 0.00 1.85 0.26 1.61 0.74 -0.61 -4.96 119.66 118.55 2za5 s GLN 20 Ca 0.00 -1.12 -0.30 0.00 0.05 0.00 0.00 55.36 53.99 2za5 s GLN 20 Cb 0.00 0.59 -0.11 0.00 1.10 0.00 0.00 33.01 34.60 2za5 s GLN 20 CO 0.00 -0.84 1.50 -2.00 -0.55 0.00 0.00 175.29 173.40 2za5 s GLU 21 N -3.60 4.21 0.35 1.67 2.12 -1.26 -1.14 118.70 121.05 2za5 s GLU 21 Ca 0.14 2.41 -0.27 0.00 0.36 0.00 0.00 54.97 57.61 2za5 s GLU 21 Cb -0.05 -3.08 -0.09 0.00 0.26 0.00 0.00 34.13 31.17 2za5 s GLU 21 CO 0.08 -0.50 1.13 0.00 -0.54 0.00 0.00 175.26 175.43 2za5 s ALA 22 N 0.03 3.25 0.63 6.30 0.00 0.38 -4.82 121.76 127.53 2za5 s ALA 22 Ca 0.61 0.90 -0.18 0.00 0.00 0.00 0.00 51.96 53.30 2za5 s ALA 22 Cb -0.44 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.32 2za5 s ALA 22 CO 0.45 -0.34 1.20 -2.14 0.00 0.00 0.00 175.76 174.93 2za5 s PRO 23 N -2.01 2.75 0.49 0.00 0.02 -1.26 -4.91 135.00 130.08 2za5 s PRO 23 Ca 0.52 1.78 0.17 0.00 0.02 0.00 0.00 61.00 63.50 2za5 s PRO 23 Cb -0.30 -1.91 1.20 0.00 0.02 0.00 0.00 34.50 33.52 2za5 s PRO 23 CO 0.38 -1.37 2.07 -0.09 -0.33 0.00 0.00 177.00 177.66 2za5 h ARG 24 N 0.52 0.00 -0.00 5.54 2.43 -2.00 -2.11 114.38 118.76 2za5 h ARG 24 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2za5 h ARG 24 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2za5 h ARG 24 CO 0.54 0.10 -0.12 -1.13 -1.51 0.00 0.00 179.97 177.85 2za5 n SER 25 N -4.29 0.44 -4.94 -3.80 3.41 -1.26 -4.91 113.62 98.27 2za5 n SER 25 Ca -0.03 -0.50 -0.26 0.00 -0.26 0.00 0.00 58.87 57.83 2za5 n SER 25 Cb 0.18 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 2za5 n SER 25 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2za5 s LYS 26 N -2.52 3.50 -1.19 4.33 1.02 -0.80 -4.62 119.74 119.47 2za5 s LYS 26 Ca 0.27 -0.41 -0.12 0.00 0.02 0.00 0.00 55.97 55.73 2za5 s LYS 26 Cb 0.20 -2.82 -0.02 0.00 -0.52 0.00 0.00 37.83 34.67 2za5 s LYS 26 CO 0.49 0.37 0.75 0.91 -0.92 0.00 0.00 175.35 176.95 2za5 n TRP 27 N -0.95 -1.96 0.67 3.18 5.03 -1.26 -4.87 117.44 117.28 2za5 n TRP 27 Ca -0.05 0.62 0.07 0.00 3.03 0.00 0.00 57.50 61.16 2za5 n TRP 27 Cb 0.55 -3.76 0.36 0.00 -1.03 0.00 0.00 31.31 27.43 2za5 n TRP 27 CO 0.00 0.00 0.00 -0.35 -0.03 0.00 0.00 177.69 177.31 2za5 n PRO 28 N -4.09 0.18 0.00 -0.99 -0.04 -1.26 -2.38 135.00 126.43 2za5 n PRO 28 Ca -0.15 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 2za5 n PRO 28 Cb 0.62 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.85 2za5 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2za5 n TRP 29 N -1.31 0.00 -2.21 0.54 2.14 -1.14 -2.49 117.44 112.97 2za5 n TRP 29 Ca 0.07 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.22 2za5 n TRP 29 Cb 0.12 -0.05 -0.03 0.00 -0.81 0.00 0.00 31.31 30.54 2za5 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2za5 s GLN 30 N -2.35 4.35 0.35 -2.67 2.00 -1.00 -0.39 119.66 119.96 2za5 s GLN 30 Ca 0.26 2.03 0.05 0.00 -2.00 0.00 0.00 55.36 55.70 2za5 s GLN 30 Cb 0.19 -3.25 -0.07 0.00 0.80 0.00 0.00 33.01 30.69 2za5 s GLN 30 CO 0.48 -0.36 0.04 0.14 -0.50 0.00 0.00 175.29 175.08 2za5 s VAL 31 N 0.83 1.47 -0.07 1.34 -7.23 -0.44 -1.89 120.40 114.41 2za5 s VAL 31 Ca 0.62 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.82 2za5 s VAL 31 Cb -0.36 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.74 2za5 s VAL 31 CO 0.32 -0.01 -0.18 -0.55 -0.31 0.00 0.00 175.10 174.37 2za5 s SER 32 N -3.56 2.41 -0.08 4.85 0.15 0.21 -2.36 113.70 115.32 2za5 s SER 32 Ca 0.36 -0.42 -0.14 0.00 0.70 0.00 0.00 55.95 56.44 2za5 s SER 32 Cb 0.09 -1.00 -0.05 0.00 -1.71 0.00 0.00 66.02 63.35 2za5 s SER 32 CO 0.16 0.12 0.37 -0.76 1.20 0.00 0.00 173.24 174.32 2za5 s LEU 33 N 0.38 4.36 -0.03 3.45 1.43 0.10 -0.73 118.68 127.65 2za5 s LEU 33 Ca -0.14 0.76 0.07 0.00 -1.03 0.00 0.00 54.13 53.80 2za5 s LEU 33 Cb -0.16 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 2za5 s LEU 33 CO 0.05 0.20 -0.25 -0.13 0.23 0.00 0.00 176.35 176.46 2za5 s ARG 34 N -0.30 2.20 -0.07 1.70 1.81 -0.17 -1.31 118.95 122.81 2za5 s ARG 34 Ca 0.21 -0.91 0.01 0.00 -1.72 0.00 0.00 55.73 53.32 2za5 s ARG 34 Cb -0.15 -2.08 -0.03 0.00 -0.45 0.00 0.00 34.95 32.25 2za5 s ARG 34 CO 0.09 0.54 -0.10 0.54 -0.68 0.00 0.00 175.30 175.70 2za5 s VAL 35 N -0.55 3.46 0.50 3.52 0.11 -0.44 -1.98 120.40 125.02 2za5 s VAL 35 Ca 0.08 -0.56 -0.22 0.00 -2.93 0.00 0.00 61.98 58.35 2za5 s VAL 35 Cb -0.11 -2.41 -0.06 0.00 -1.53 0.00 0.00 36.38 32.27 2za5 s VAL 35 CO -0.00 0.58 1.19 -2.28 -3.33 0.00 0.00 175.10 171.26 2za5 s HIS 36 N -0.61 2.70 0.00 1.54 2.46 -0.34 -1.96 115.29 119.09 2za5 s HIS 36 Ca 0.09 1.51 0.00 0.00 0.47 0.00 0.00 55.06 57.13 2za5 s HIS 36 Cb -0.11 -3.44 0.00 0.00 -0.13 0.00 0.00 32.58 28.90 2za5 s HIS 36 CO 0.02 -1.80 0.00 0.41 -2.47 0.00 0.00 174.74 170.90 2za5 n GLY 37 N 0.45 0.93 0.40 1.59 0.00 -1.26 -4.89 105.19 102.41 2za5 n GLY 37 Ca 0.09 -0.38 0.22 0.00 0.00 0.00 0.00 46.02 45.95 2za5 n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2za5 h PRO 38 N 0.00 0.00 -3.64 1.61 0.11 -2.05 -3.41 132.00 124.62 2za5 h PRO 38 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 2za5 h PRO 38 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 2za5 h PRO 38 CO 0.00 0.00 -0.11 1.52 -0.21 0.00 0.00 178.00 179.20 2za5 s TYR 39 N -4.82 0.36 -1.02 0.65 1.13 -1.26 -5.08 117.35 107.32 2za5 s TYR 39 Ca -0.05 -0.73 -0.23 0.00 -1.41 0.00 0.00 57.07 54.66 2za5 s TYR 39 Cb 0.18 0.20 0.05 0.00 -1.10 0.00 0.00 41.96 41.29 2za5 s TYR 39 CO 0.65 -1.01 1.45 -1.58 -2.51 0.00 0.00 175.55 172.55 2za5 s TRP 40 N -3.97 2.53 0.04 -3.49 0.52 -1.26 -4.65 118.94 108.66 2za5 s TRP 40 Ca 0.22 -0.84 -0.22 0.00 0.02 0.00 0.00 56.10 55.29 2za5 s TRP 40 Cb -0.01 -4.70 -0.06 0.00 -1.15 0.00 0.00 33.47 27.55 2za5 s TRP 40 CO 0.09 -1.94 0.64 1.41 0.02 0.00 0.00 176.95 177.18 2za5 s MET 41 N 4.97 4.36 0.23 4.98 1.75 -0.83 -4.66 119.30 130.10 2za5 s MET 41 Ca 0.46 0.85 -0.31 0.00 -1.25 0.00 0.00 55.69 55.44 2za5 s MET 41 Cb -0.00 -3.32 -0.11 0.00 2.84 0.00 0.00 34.83 34.24 2za5 s MET 41 CO -0.10 0.42 1.54 -1.58 -0.65 0.00 0.00 175.02 174.65 2za5 s HIS 42 N -0.41 2.96 0.00 4.11 2.46 -1.26 -1.32 115.29 121.83 2za5 s HIS 42 Ca 0.33 0.78 0.00 0.00 0.47 0.00 0.00 55.06 56.63 2za5 s HIS 42 Cb -0.19 -3.94 0.00 0.00 -0.13 0.00 0.00 32.58 28.31 2za5 s HIS 42 CO 0.20 -3.28 0.00 1.97 -2.47 0.00 0.00 174.74 171.16 2za5 n PHE 43 N 2.97 0.00 -3.47 3.88 -1.74 -0.43 -4.92 117.46 113.76 2za5 n PHE 43 Ca 0.10 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.87 2za5 n PHE 43 Cb 0.39 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.36 2za5 n PHE 43 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2za5 s GLY 45 N -2.28 1.72 0.16 0.00 0.00 0.19 0.03 107.32 107.13 2za5 s GLY 45 Ca -0.00 -2.09 -0.15 0.00 0.00 0.00 0.00 44.72 42.48 2za5 s GLY 45 CO -0.07 -1.56 0.73 0.61 0.00 0.00 0.00 173.10 172.81 2za5 n GLY 46 N -2.45 0.86 2.97 0.20 0.00 -0.99 -3.45 105.19 102.32 2za5 n GLY 46 Ca 0.16 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 2za5 n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2za5 s SER 47 N -2.75 0.02 -0.34 1.61 1.04 0.17 -1.33 113.70 112.13 2za5 s SER 47 Ca 0.16 -0.07 -0.29 0.00 0.48 0.00 0.00 55.95 56.23 2za5 s SER 47 Cb -0.02 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.24 2za5 s SER 47 CO 0.05 -0.13 1.08 -0.22 0.98 0.00 0.00 173.24 175.00 2za5 s LEU 48 N -0.52 3.90 0.00 2.42 2.96 0.48 -0.20 118.68 127.72 2za5 s LEU 48 Ca -0.06 0.98 0.12 0.00 -0.22 0.00 0.00 54.13 54.95 2za5 s LEU 48 Cb -0.04 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 43.00 2za5 s LEU 48 CO 0.00 -0.93 0.51 2.30 -1.32 0.00 0.00 176.35 176.91 2za5 n ILE 49 N 5.99 0.00 -3.54 6.68 -5.35 -0.21 -1.56 119.36 121.37 2za5 n ILE 49 Ca 0.12 -0.24 -0.15 0.00 -0.27 0.00 0.00 62.75 62.21 2za5 n ILE 49 Cb 0.47 1.01 -0.05 0.00 -1.74 0.00 0.00 39.64 39.33 2za5 n ILE 49 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2za5 s HIS 50 N -2.04 -0.53 0.61 4.28 5.04 -1.13 -4.71 115.29 116.81 2za5 s HIS 50 Ca 0.05 0.72 0.27 0.00 -1.54 0.00 0.00 55.06 54.57 2za5 s HIS 50 Cb 0.09 0.39 1.50 0.00 0.04 0.00 0.00 32.58 34.60 2za5 s HIS 50 CO 0.46 -0.65 1.83 -1.35 -2.34 0.00 0.00 174.74 172.70 2za5 h PRO 51 N 2.82 0.00 0.00 2.88 0.11 -1.94 -1.35 132.00 134.52 2za5 h PRO 51 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2za5 h PRO 51 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2za5 h PRO 51 CO 0.40 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 179.13 2za5 n GLN 52 N -2.80 1.97 -4.17 1.05 7.27 -1.26 0.20 117.38 119.64 2za5 n GLN 52 Ca -0.02 -1.22 -0.19 0.00 0.07 0.00 0.00 57.00 55.64 2za5 n GLN 52 Cb 0.40 -0.97 -0.16 0.00 2.41 0.00 0.00 30.24 31.92 2za5 n GLN 52 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2za5 s TRP 53 N -0.73 0.66 -0.09 3.69 0.52 -0.51 -1.17 118.94 121.31 2za5 s TRP 53 Ca 0.00 -0.16 -0.01 0.00 0.02 0.00 0.00 56.10 55.96 2za5 s TRP 53 Cb 0.00 -0.56 -0.03 0.00 -1.15 0.00 0.00 33.47 31.73 2za5 s TRP 53 CO 0.00 -0.13 -0.04 0.08 0.02 0.00 0.00 176.95 176.88 2za5 s VAL 54 N 0.60 3.95 -0.11 4.03 1.01 -0.07 -1.04 120.40 128.77 2za5 s VAL 54 Ca -0.08 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 2za5 s VAL 54 Cb -0.11 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2za5 s VAL 54 CO 0.00 0.59 0.00 -0.22 0.00 0.00 0.00 175.10 175.47 2za5 s LEU 55 N -0.69 3.57 0.00 3.92 2.96 0.71 -0.88 118.68 128.27 2za5 s LEU 55 Ca 0.11 0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 54.09 2za5 s LEU 55 Cb -0.11 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.76 2za5 s LEU 55 CO 0.02 0.33 0.19 1.07 -1.32 0.00 0.00 176.35 176.64 2za5 n THR 56 N 2.48 0.00 -3.43 3.68 5.66 -0.68 -0.65 114.28 121.33 2za5 n THR 56 Ca -0.18 -0.32 -0.38 0.00 -3.05 0.00 0.00 64.05 60.12 2za5 n THR 56 Cb 0.53 0.28 -0.06 0.00 -1.55 0.00 0.00 70.33 69.53 2za5 n THR 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2za5 s ALA 57 N -1.45 3.66 0.33 1.79 0.00 -1.26 -1.33 121.76 123.51 2za5 s ALA 57 Ca 0.05 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 51.90 2za5 s ALA 57 Cb -0.01 -2.47 0.64 0.00 0.00 0.00 0.00 23.12 21.29 2za5 s ALA 57 CO 0.04 0.46 1.92 0.00 0.00 0.00 0.00 175.76 178.18 2za5 h ALA 58 N 4.52 1.62 0.00 0.00 0.00 -1.67 -2.27 119.26 121.46 2za5 h ALA 58 Ca -0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2za5 h ALA 58 Cb 1.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2za5 h ALA 58 CO 0.63 0.24 0.00 -2.39 0.00 0.00 0.00 179.25 177.72 2za5 n HIS 59 N -4.50 0.00 0.12 0.00 1.44 -1.26 -0.65 115.22 110.37 2za5 n HIS 59 Ca 0.13 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.83 2za5 n HIS 59 Cb 0.24 -0.46 0.08 0.00 0.12 0.00 0.00 29.99 29.98 2za5 n HIS 59 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2za5 n VAL 61 N -3.47 0.00 -3.55 0.00 0.24 -0.70 -5.04 118.33 105.80 2za5 n VAL 61 Ca 0.00 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 2za5 n VAL 61 Cb 0.73 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 34.19 2za5 n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2za5 n GLY 62 N 0.45 3.77 0.25 7.63 0.00 0.17 -4.46 105.19 113.00 2za5 n GLY 62 Ca 0.00 -1.45 0.14 0.00 0.00 0.00 0.00 46.02 44.71 2za5 n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2za5 h PRO 63 N 0.00 0.00 -6.66 1.61 0.13 -1.82 -3.40 132.00 121.86 2za5 h PRO 63 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 2za5 h PRO 63 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 2za5 h PRO 63 CO 0.00 0.09 0.55 -0.51 -0.23 0.00 0.00 178.00 177.91 2za5 s ASP 64 N -5.93 7.10 0.02 1.44 1.01 -1.26 -4.99 116.67 114.06 2za5 s ASP 64 Ca 0.01 2.22 -0.30 0.00 0.71 0.00 0.00 52.55 55.19 2za5 s ASP 64 Cb 0.09 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.36 2za5 s ASP 64 CO 0.59 -0.36 1.28 -0.69 0.21 0.00 0.00 175.17 176.20 2za5 s VAL 65 N -0.05 3.90 0.41 -1.27 1.01 -1.26 -4.97 120.40 118.16 2za5 s VAL 65 Ca 0.53 1.32 0.07 0.00 0.00 0.00 0.00 61.98 63.89 2za5 s VAL 65 Cb -0.32 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 2za5 s VAL 65 CO 0.36 0.05 0.16 -0.54 0.00 0.00 0.00 175.10 175.14 2za5 s LYS 66 N 1.70 2.20 -0.10 2.72 1.02 -1.26 -5.08 119.74 120.95 2za5 s LYS 66 Ca 0.60 -1.86 -0.29 0.00 0.02 0.00 0.00 55.97 54.44 2za5 s LYS 66 Cb -0.30 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.02 2za5 s LYS 66 CO 0.27 -0.10 1.50 0.34 -0.92 0.00 0.00 175.35 176.44 2za5 s ASP 67 N -3.88 6.78 0.34 2.83 -1.08 -1.26 -4.90 116.67 115.50 2za5 s ASP 67 Ca 0.40 2.03 0.13 0.00 -0.52 0.00 0.00 52.55 54.59 2za5 s ASP 67 Cb 0.04 -2.54 1.01 0.00 -1.46 0.00 0.00 42.92 39.98 2za5 s ASP 67 CO 0.22 -0.86 1.70 0.25 0.52 0.00 0.00 175.17 177.00 2za5 h LEU 68 N 10.03 0.57 0.00 -1.34 5.85 -1.96 -0.76 115.31 127.70 2za5 h LEU 68 Ca -0.34 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2za5 h LEU 68 Cb 1.15 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2za5 h LEU 68 CO 0.96 -0.00 0.00 0.00 -0.34 0.00 0.00 178.44 179.06 2za5 n ALA 69 N -2.33 1.88 -0.04 1.25 0.00 -1.26 -2.35 120.51 117.66 2za5 n ALA 69 Ca 0.29 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.77 2za5 n ALA 69 Cb 0.88 -1.28 0.28 0.00 0.00 0.00 0.00 19.45 19.34 2za5 n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2za5 n ALA 70 N -1.37 2.40 -2.43 0.00 0.00 -0.29 -4.92 120.51 113.90 2za5 n ALA 70 Ca 0.07 -1.15 -0.27 0.00 0.00 0.00 0.00 53.44 52.09 2za5 n ALA 70 Cb 0.16 -0.93 -0.14 0.00 0.00 0.00 0.00 19.45 18.54 2za5 n ALA 70 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2za5 s LEU 71 N -1.17 2.17 0.06 0.00 2.96 -0.99 -1.19 118.68 120.52 2za5 s LEU 71 Ca 0.44 -0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 53.75 2za5 s LEU 71 Cb 0.24 -1.09 -0.02 0.00 0.50 0.00 0.00 46.19 45.82 2za5 s LEU 71 CO 0.32 0.19 0.08 -0.13 -1.32 0.00 0.00 176.35 175.49 2za5 s ARG 72 N -1.24 0.69 -0.10 1.98 1.81 -0.84 -4.45 118.95 116.81 2za5 s ARG 72 Ca 0.09 -1.01 0.01 0.00 -1.72 0.00 0.00 55.73 53.09 2za5 s ARG 72 Cb -0.09 0.26 -0.02 0.00 -0.45 0.00 0.00 34.95 34.65 2za5 s ARG 72 CO 0.02 -0.18 -0.10 0.08 -0.68 0.00 0.00 175.30 174.44 2za5 s VAL 73 N -3.59 3.35 -0.19 3.52 1.01 -0.08 -0.99 120.40 123.43 2za5 s VAL 73 Ca 0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 2za5 s VAL 73 Cb 0.05 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 34.04 2za5 s VAL 73 CO -0.09 0.56 -0.10 -1.58 0.00 0.00 0.00 175.10 173.88 2za5 s GLN 74 N -0.23 3.29 0.94 2.72 2.00 0.10 -0.81 119.66 127.66 2za5 s GLN 74 Ca 0.02 -0.69 -0.14 0.00 -2.00 0.00 0.00 55.36 52.55 2za5 s GLN 74 Cb -0.13 -2.81 0.16 0.00 0.80 0.00 0.00 33.01 31.03 2za5 s GLN 74 CO 0.03 -0.10 1.18 -0.51 -0.50 0.00 0.00 175.29 175.39 2za5 s LEU 75 N 1.15 2.07 -0.46 3.68 1.43 -1.26 -0.62 118.68 124.67 2za5 s LEU 75 Ca 0.01 0.75 -0.42 0.00 -1.03 0.00 0.00 54.13 53.44 2za5 s LEU 75 Cb -0.14 -2.97 -0.18 0.00 0.03 0.00 0.00 46.19 42.93 2za5 s LEU 75 CO -0.03 -2.68 1.69 -1.14 0.23 0.00 0.00 176.35 174.42 2za5 n ARG 76 N -3.82 0.00 -4.82 1.70 3.00 -0.79 -4.77 116.66 107.15 2za5 n ARG 76 Ca 0.09 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.67 2za5 n ARG 76 Cb 0.60 -1.38 -0.15 0.00 0.00 0.00 0.00 32.46 31.53 2za5 n ARG 76 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2za5 s GLU 77 N 3.97 1.58 0.14 -0.14 2.02 -1.26 -5.00 118.70 120.01 2za5 s GLU 77 Ca 1.03 -0.92 -0.14 0.00 0.02 0.00 0.00 54.97 54.96 2za5 s GLU 77 Cb -1.38 -1.65 0.01 0.00 0.10 0.00 0.00 34.13 31.21 2za5 s GLU 77 CO 0.69 0.43 1.65 1.96 0.02 0.00 0.00 175.26 180.02 2za5 h GLN 78 N 5.09 0.73 -4.25 1.61 1.08 -1.94 -3.42 115.11 114.01 2za5 h GLN 78 Ca -0.42 -0.17 -0.51 0.00 -1.45 0.00 0.00 58.65 56.10 2za5 h GLN 78 Cb 1.15 -0.10 -0.36 0.00 -0.05 0.00 0.00 27.48 28.12 2za5 h GLN 78 CO 0.45 0.71 -0.80 -1.01 -0.95 0.00 0.00 178.83 177.23 2za5 s HIS 79 N -5.35 1.37 0.22 2.96 3.76 -1.26 -0.74 115.29 116.26 2za5 s HIS 79 Ca -0.13 -0.62 -0.31 0.00 -0.15 0.00 0.00 55.06 53.85 2za5 s HIS 79 Cb 0.11 -1.13 -0.15 0.00 1.11 0.00 0.00 32.58 32.53 2za5 s HIS 79 CO 0.78 -0.43 1.18 1.28 -0.85 0.00 0.00 174.74 176.71 2za5 n LEU 80 N 4.64 2.02 0.00 0.89 4.77 -0.63 -3.13 117.00 125.56 2za5 n LEU 80 Ca -0.15 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.98 2za5 n LEU 80 Cb 0.50 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 2za5 n LEU 80 CO 0.19 -1.12 0.00 -1.22 -1.33 0.00 0.00 177.39 173.91 2za5 n TYR 81 N 1.22 0.00 -0.11 -1.77 4.01 -1.26 -4.83 117.16 114.41 2za5 n TYR 81 Ca 0.12 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.75 2za5 n TYR 81 Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.28 2za5 n TYR 81 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 2za5 h TYR 82 N 0.00 0.72 -2.11 -0.72 0.05 -1.92 -3.30 116.97 109.69 2za5 h TYR 82 Ca 0.00 -0.17 -0.53 0.00 0.05 0.00 0.00 58.73 58.08 2za5 h TYR 82 Cb 0.00 -0.17 -0.41 0.00 1.01 0.00 0.00 36.73 37.16 2za5 h TYR 82 CO 0.00 0.83 -0.97 1.04 -1.05 0.00 0.00 178.16 178.01 2za5 n GLN 83 N -4.42 1.78 -1.79 4.88 6.02 -1.26 -5.10 117.38 117.49 2za5 n GLN 83 Ca -0.03 -3.93 -0.42 0.00 -0.01 0.00 0.00 57.00 52.62 2za5 n GLN 83 Cb 0.35 -1.86 -0.02 0.00 1.02 0.00 0.00 30.24 29.73 2za5 n GLN 83 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2za5 s ASP 84 N -2.64 6.41 -0.44 1.08 1.11 -1.25 -4.99 116.67 115.95 2za5 s ASP 84 Ca 0.42 2.87 0.02 0.00 0.18 0.00 0.00 52.55 56.05 2za5 s ASP 84 Cb 0.30 -2.62 0.13 0.00 1.07 0.00 0.00 42.92 41.79 2za5 s ASP 84 CO -0.10 -0.91 0.21 -1.10 1.18 0.00 0.00 175.17 174.45 2za5 s GLN 85 N 0.17 1.43 0.21 8.23 -0.21 -1.26 -5.12 119.66 123.11 2za5 s GLN 85 Ca 0.67 -2.06 -0.30 0.00 0.02 0.00 0.00 55.36 53.69 2za5 s GLN 85 Cb -0.48 -2.66 -0.08 0.00 1.00 0.00 0.00 33.01 30.79 2za5 s GLN 85 CO 0.41 -1.11 0.99 -0.51 -2.12 0.00 0.00 175.29 172.96 2za5 s LEU 86 N 0.37 4.58 -0.11 2.90 1.43 -1.26 -4.57 118.68 122.01 2za5 s LEU 86 Ca 0.16 1.99 0.03 0.00 -1.03 0.00 0.00 54.13 55.27 2za5 s LEU 86 Cb -0.24 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.37 2za5 s LEU 86 CO -0.03 0.01 -0.21 -0.76 0.23 0.00 0.00 176.35 175.59 2za5 s LEU 87 N -0.85 2.27 0.68 1.79 1.43 0.01 -4.91 118.68 119.10 2za5 s LEU 87 Ca 0.44 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 2za5 s LEU 87 Cb -0.27 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.48 2za5 s LEU 87 CO 0.33 0.16 1.06 -2.16 0.23 0.00 0.00 176.35 175.97 2za5 s PRO 88 N 0.35 3.00 0.03 1.29 0.04 -1.26 -0.90 135.00 137.55 2za5 s PRO 88 Ca -0.17 0.98 0.06 0.00 0.04 0.00 0.00 61.00 61.91 2za5 s PRO 88 Cb -0.17 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 2za5 s PRO 88 CO 0.08 -1.05 -0.13 0.08 0.04 0.00 0.00 177.00 176.02 2za5 s VAL 89 N -2.98 3.16 -0.11 -0.36 1.01 -1.26 -2.50 120.40 117.35 2za5 s VAL 89 Ca 0.59 -1.02 0.15 0.00 0.00 0.00 0.00 61.98 61.70 2za5 s VAL 89 Cb -0.14 -2.35 -0.22 0.00 0.00 0.00 0.00 36.38 33.66 2za5 s VAL 89 CO 0.53 0.35 0.17 -1.54 0.00 0.00 0.00 175.10 174.61 2za5 n SER 90 N 1.52 1.06 -3.77 3.32 3.41 0.98 -4.72 113.62 115.43 2za5 n SER 90 Ca -0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.32 2za5 n SER 90 Cb 0.52 1.22 -0.13 0.00 -0.26 0.00 0.00 64.21 65.56 2za5 n SER 90 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2za5 s ARG 91 N -2.68 0.15 -0.24 4.33 0.52 -1.17 -4.99 118.95 114.87 2za5 s ARG 91 Ca -0.07 0.36 -0.06 0.00 -0.52 0.00 0.00 55.73 55.43 2za5 s ARG 91 Cb 0.07 -0.08 -0.02 0.00 0.52 0.00 0.00 34.95 35.44 2za5 s ARG 91 CO 0.68 -0.12 0.04 0.42 0.02 0.00 0.00 175.30 176.33 2za5 s ILE 92 N 0.84 4.03 -0.29 1.52 1.01 -1.26 -0.36 121.20 126.69 2za5 s ILE 92 Ca -0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 2za5 s ILE 92 Cb -0.08 -2.87 0.04 0.00 0.01 0.00 0.00 42.46 39.56 2za5 s ILE 92 CO -0.05 0.36 -0.01 -0.63 0.00 0.00 0.00 174.94 174.62 2za5 s ILE 93 N 1.57 3.01 -0.12 2.92 -1.09 0.17 -4.99 121.20 122.66 2za5 s ILE 93 Ca 0.06 -1.29 -0.05 0.00 -2.23 0.00 0.00 60.65 57.15 2za5 s ILE 93 Cb -0.15 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.01 2za5 s ILE 93 CO 0.02 -0.04 0.05 -0.69 -1.23 0.00 0.00 174.94 173.04 2za5 s VAL 94 N 1.28 4.71 0.08 2.92 1.01 -1.26 -0.68 120.40 128.46 2za5 s VAL 94 Ca -0.04 -0.09 -0.34 0.00 0.00 0.00 0.00 61.98 61.51 2za5 s VAL 94 Cb -0.19 -3.04 -0.13 0.00 0.00 0.00 0.00 36.38 33.02 2za5 s VAL 94 CO -0.02 0.57 1.66 1.57 0.00 0.00 0.00 175.10 178.88 2za5 n HIS 95 N 2.49 2.26 0.46 5.22 -0.00 -0.99 -4.83 115.22 119.83 2za5 n HIS 95 Ca -0.18 0.20 0.07 0.00 0.46 0.00 0.00 57.72 58.26 2za5 n HIS 95 Cb 0.54 -2.57 0.29 0.00 -0.12 0.00 0.00 29.99 28.13 2za5 n HIS 95 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2za5 n PRO 96 N 4.35 0.00 0.09 1.57 -0.04 -1.26 -1.52 135.00 138.19 2za5 n PRO 96 Ca 0.19 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 2za5 n PRO 96 Cb 0.28 -1.51 0.37 0.00 -0.04 0.00 0.00 33.50 32.61 2za5 n PRO 96 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2za5 n GLN 97 N -1.52 0.25 -2.55 0.54 1.13 -1.26 -4.91 117.38 109.06 2za5 n GLN 97 Ca 0.03 0.17 -0.41 0.00 -1.94 0.00 0.00 57.00 54.85 2za5 n GLN 97 Cb 0.16 -1.76 -0.04 0.00 0.11 0.00 0.00 30.24 28.72 2za5 n GLN 97 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 2za5 s PHE 98 N -3.10 3.61 0.00 1.08 5.36 -0.57 -4.86 117.98 119.49 2za5 s PHE 98 Ca 0.10 1.59 0.00 0.00 -0.96 0.00 0.00 56.93 57.66 2za5 s PHE 98 Cb 0.13 -3.25 0.00 0.00 -0.34 0.00 0.00 43.02 39.56 2za5 s PHE 98 CO 0.62 -0.53 0.00 2.48 -1.46 0.00 0.00 175.22 176.32 2za5 n TYR 99 N 2.84 0.00 -3.82 10.12 0.18 -1.26 -4.89 117.16 120.34 2za5 n TYR 99 Ca 0.04 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.70 2za5 n TYR 99 Cb 0.47 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.32 2za5 n TYR 99 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 2za5 s THR 100 N 0.00 0.04 0.33 -3.48 -1.32 -1.26 -4.63 115.64 105.32 2za5 s THR 100 Ca 0.00 -0.29 0.01 0.00 -1.21 0.00 0.00 61.69 60.20 2za5 s THR 100 Cb 0.00 -0.40 0.23 0.00 -1.51 0.00 0.00 72.50 70.82 2za5 s THR 100 CO 0.00 -0.16 1.96 0.00 -2.21 0.00 0.00 174.62 174.20 2za5 h ALA 101 N 5.02 1.45 0.00 11.08 0.00 -1.95 -2.16 119.26 132.71 2za5 h ALA 101 Ca -0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2za5 h ALA 101 Cb 1.19 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2za5 h ALA 101 CO 0.38 0.46 -0.05 1.96 0.00 0.00 0.00 179.25 182.01 2za5 h GLN 102 N 0.83 0.00 0.01 0.00 7.50 -1.96 -2.26 115.11 119.23 2za5 h GLN 102 Ca 0.21 0.00 -0.31 0.00 0.50 0.00 0.00 58.65 59.05 2za5 h GLN 102 Cb 0.02 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.50 2za5 h GLN 102 CO -0.04 0.05 -1.87 -0.89 -1.50 0.00 0.00 178.83 174.58 2za5 n ILE 103 N -3.29 1.57 0.00 2.54 5.41 -0.84 -4.97 119.36 119.78 2za5 n ILE 103 Ca -0.01 -0.80 0.00 0.00 1.00 0.00 0.00 62.75 62.94 2za5 n ILE 103 Cb 0.21 -0.96 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 2za5 n ILE 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2za5 n GLY 104 N 1.62 -0.39 2.78 7.39 0.00 -0.85 -4.99 105.19 110.75 2za5 n GLY 104 Ca -0.21 -2.21 -0.19 0.00 0.00 0.00 0.00 46.02 43.41 2za5 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2za5 n ALA 105 N -0.65 -0.86 -2.22 4.61 0.00 -1.26 -4.52 120.51 115.60 2za5 n ALA 105 Ca 0.00 0.15 -0.43 0.00 0.00 0.00 0.00 53.44 53.16 2za5 n ALA 105 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 16.99 2za5 n ALA 105 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2za5 n ASP 106 N -2.12 4.55 -3.76 0.00 2.03 -1.26 -4.33 116.55 111.66 2za5 n ASP 106 Ca -0.13 -2.93 -0.13 0.00 0.52 0.00 0.00 54.79 52.13 2za5 n ASP 106 Cb 0.61 -1.64 -0.10 0.00 -0.72 0.00 0.00 41.12 39.27 2za5 n ASP 106 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2za5 s ILE 107 N 2.79 0.04 0.16 5.18 2.07 -1.26 -3.75 121.20 126.42 2za5 s ILE 107 Ca 0.47 -0.29 -0.18 0.00 -1.41 0.00 0.00 60.65 59.24 2za5 s ILE 107 Cb 0.08 -0.55 0.04 0.00 0.13 0.00 0.00 42.46 42.17 2za5 s ILE 107 CO -0.01 -0.16 0.48 0.00 -1.91 0.00 0.00 174.94 173.33 2za5 s ALA 108 N -0.73 -1.05 -0.03 1.50 0.00 -0.44 -2.35 121.76 118.66 2za5 s ALA 108 Ca -0.08 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 51.90 2za5 s ALA 108 Cb -0.04 0.79 -0.00 0.00 0.00 0.00 0.00 23.12 23.86 2za5 s ALA 108 CO 0.03 -0.73 -0.14 -0.51 0.00 0.00 0.00 175.76 174.41 2za5 s LEU 109 N -2.82 1.90 -0.15 0.00 1.43 0.15 -1.69 118.68 117.50 2za5 s LEU 109 Ca 0.05 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 2za5 s LEU 109 Cb 0.00 -0.81 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 2za5 s LEU 109 CO -0.09 0.14 -0.06 -0.76 0.23 0.00 0.00 176.35 175.81 2za5 s LEU 110 N -0.01 3.13 -0.21 1.79 1.43 -0.06 -0.66 118.68 124.10 2za5 s LEU 110 Ca -0.01 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.75 2za5 s LEU 110 Cb -0.09 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2za5 s LEU 110 CO 0.01 0.17 0.43 -0.70 0.23 0.00 0.00 176.35 176.48 2za5 s GLU 111 N 0.36 4.16 0.44 1.70 2.12 0.52 -0.89 118.70 127.11 2za5 s GLU 111 Ca -0.06 0.23 -0.22 0.00 0.36 0.00 0.00 54.97 55.29 2za5 s GLU 111 Cb -0.15 -3.56 -0.09 0.00 0.26 0.00 0.00 34.13 30.59 2za5 s GLU 111 CO 0.04 -0.10 1.02 -0.51 -0.54 0.00 0.00 175.26 175.17 2za5 s LEU 112 N 1.49 3.99 0.34 2.70 1.43 -0.32 -0.01 118.68 128.31 2za5 s LEU 112 Ca 0.20 1.91 0.08 0.00 -1.03 0.00 0.00 54.13 55.29 2za5 s LEU 112 Cb -0.15 -4.40 0.79 0.00 0.03 0.00 0.00 46.19 42.47 2za5 s LEU 112 CO 0.08 -0.56 1.85 -0.33 0.23 0.00 0.00 176.35 177.63 2za5 h GLU 113 N 2.04 0.70 -4.40 1.70 5.08 -1.77 -3.42 114.58 114.51 2za5 h GLU 113 Ca -0.49 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 57.62 2za5 h GLU 113 Cb 1.21 -0.16 -0.19 0.00 0.50 0.00 0.00 28.75 30.11 2za5 h GLU 113 CO 0.61 0.46 -0.71 -1.21 -1.00 0.00 0.00 179.01 177.16 2za5 s GLU 114 N -5.72 0.56 0.51 2.33 0.41 -1.26 -4.98 118.70 110.54 2za5 s GLU 114 Ca -0.10 -0.93 -0.23 0.00 -0.41 0.00 0.00 54.97 53.30 2za5 s GLU 114 Cb 0.22 -0.10 -0.06 0.00 -1.78 0.00 0.00 34.13 32.41 2za5 s GLU 114 CO 0.79 -0.01 1.32 -1.25 -0.49 0.00 0.00 175.26 175.62 2za5 s PRO 115 N -2.45 3.40 0.12 0.39 0.04 -1.26 -4.81 135.00 130.43 2za5 s PRO 115 Ca -0.04 2.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 2za5 s PRO 115 Cb -0.04 -2.38 -0.06 0.00 0.04 0.00 0.00 34.50 32.07 2za5 s PRO 115 CO -0.03 -0.96 1.03 0.08 0.04 0.00 0.00 177.00 177.16 2za5 s VAL 116 N -1.34 4.29 -0.71 -0.36 1.01 0.13 -4.98 120.40 118.43 2za5 s VAL 116 Ca 0.67 1.88 -0.24 0.00 0.00 0.00 0.00 61.98 64.29 2za5 s VAL 116 Cb -0.38 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 31.85 2za5 s VAL 116 CO 0.46 0.28 1.12 -0.75 0.00 0.00 0.00 175.10 176.21 2za5 s LYS 117 N 0.04 3.17 0.51 2.72 2.47 -1.26 -4.83 119.74 122.55 2za5 s LYS 117 Ca 0.49 -0.60 -0.22 0.00 -1.56 0.00 0.00 55.97 54.09 2za5 s LYS 117 Cb -0.26 -4.25 -0.06 0.00 -1.46 0.00 0.00 37.83 31.80 2za5 s LYS 117 CO 0.31 -1.98 1.22 0.14 0.16 0.00 0.00 175.35 175.20 2za5 s VAL 118 N 4.81 2.78 0.00 4.02 -7.23 -1.26 -5.00 120.40 118.53 2za5 s VAL 118 Ca 0.29 0.56 0.00 0.00 -1.81 0.00 0.00 61.98 61.02 2za5 s VAL 118 Cb -0.12 -3.28 0.00 0.00 0.56 0.00 0.00 36.38 33.54 2za5 s VAL 118 CO 0.11 -0.03 0.00 -1.54 -0.31 0.00 0.00 175.10 173.34 2za5 n SER 119 N -0.83 0.29 0.01 4.85 3.41 0.60 -5.00 113.62 116.95 2za5 n SER 119 Ca 0.09 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.81 2za5 n SER 119 Cb 0.48 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 2za5 n SER 119 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2za5 n SER 120 N 0.00 0.70 0.02 4.04 3.41 -1.26 -4.02 113.62 116.51 2za5 n SER 120 Ca 0.00 -0.55 0.11 0.00 -0.26 0.00 0.00 58.87 58.17 2za5 n SER 120 Cb 0.00 0.94 -0.11 0.00 -0.26 0.00 0.00 64.21 64.78 2za5 n SER 120 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2za5 n HIS 121 N -1.71 0.20 -3.77 7.33 -0.00 -1.26 -4.83 115.22 111.18 2za5 n HIS 121 Ca 0.03 0.06 -0.27 0.00 -0.00 0.00 0.00 57.72 57.53 2za5 n HIS 121 Cb 0.39 -0.51 -0.17 0.00 -0.00 0.00 0.00 29.99 29.70 2za5 n HIS 121 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2za5 s VAL 122 N -3.38 0.62 0.35 3.57 1.01 -1.26 -4.56 120.40 116.75 2za5 s VAL 122 Ca -0.03 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 2za5 s VAL 122 Cb 0.14 -1.03 0.04 0.00 0.00 0.00 0.00 36.38 35.52 2za5 s VAL 122 CO 0.87 -0.10 0.73 -1.38 0.00 0.00 0.00 175.10 175.22 2za5 s HIS 123 N 1.82 0.11 0.59 5.22 -0.00 -1.04 -0.29 115.29 121.71 2za5 s HIS 123 Ca -0.00 -0.68 -0.14 0.00 -0.00 0.00 0.00 55.06 54.23 2za5 s HIS 123 Cb -0.16 0.70 -0.05 0.00 -0.00 0.00 0.00 32.58 33.08 2za5 s HIS 123 CO -0.07 -1.42 1.03 0.95 -0.00 0.00 0.00 174.74 175.22 2za5 s THR 124 N -2.90 4.26 0.13 -5.38 -4.23 -1.26 -2.86 115.64 103.39 2za5 s THR 124 Ca 0.16 0.96 -0.00 0.00 -1.18 0.00 0.00 61.69 61.62 2za5 s THR 124 Cb -0.05 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 2za5 s THR 124 CO 0.11 -0.74 0.29 0.54 -0.54 0.00 0.00 174.62 174.28 2za5 s VAL 125 N -2.74 5.30 0.08 2.29 0.11 -0.60 -4.84 120.40 120.00 2za5 s VAL 125 Ca 0.59 -0.40 -0.24 0.00 -2.93 0.00 0.00 61.98 59.01 2za5 s VAL 125 Cb -0.13 -3.68 -0.06 0.00 -1.53 0.00 0.00 36.38 30.98 2za5 s VAL 125 CO 0.41 -0.00 0.74 -0.89 -3.33 0.00 0.00 175.10 172.02 2za5 s THR 126 N -1.67 4.64 0.46 5.04 2.01 -1.24 -4.73 115.64 120.15 2za5 s THR 126 Ca 0.37 1.58 -0.15 0.00 0.31 0.00 0.00 61.69 63.79 2za5 s THR 126 Cb -0.12 -4.09 -0.08 0.00 0.01 0.00 0.00 72.50 68.22 2za5 s THR 126 CO 0.28 0.43 0.91 -0.76 -0.69 0.00 0.00 174.62 174.79 2za5 s LEU 127 N -0.47 3.75 0.59 4.42 1.43 -1.26 -1.36 118.68 125.77 2za5 s LEU 127 Ca 0.36 1.45 -0.16 0.00 -1.03 0.00 0.00 54.13 54.75 2za5 s LEU 127 Cb -0.21 -4.35 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 2za5 s LEU 127 CO 0.23 -0.48 1.06 -2.16 0.23 0.00 0.00 176.35 175.23 2za5 s PRO 128 N -3.82 3.32 0.74 1.29 0.05 -1.26 -4.83 135.00 130.48 2za5 s PRO 128 Ca 0.57 1.24 -0.14 0.00 0.05 0.00 0.00 61.00 62.72 2za5 s PRO 128 Cb -0.10 -2.03 0.05 0.00 0.05 0.00 0.00 34.50 32.47 2za5 s PRO 128 CO 0.28 -0.82 1.17 -1.25 0.05 0.00 0.00 177.00 176.44 2za5 s PRO 129 N -3.98 2.12 0.56 0.56 0.04 -1.26 -4.90 135.00 128.13 2za5 s PRO 129 Ca 0.64 1.62 0.27 0.00 0.04 0.00 0.00 61.00 63.58 2za5 s PRO 129 Cb -0.17 -1.84 1.49 0.00 0.04 0.00 0.00 34.50 34.02 2za5 s PRO 129 CO 0.36 -1.82 2.00 0.00 0.04 0.00 0.00 177.00 177.57 2za5 h ALA 130 N -0.50 2.23 0.00 8.56 0.00 -1.96 -2.63 119.26 124.96 2za5 h ALA 130 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2za5 h ALA 130 Cb 1.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2za5 h ALA 130 CO 0.49 -0.58 -0.14 -1.13 0.00 0.00 0.00 179.25 177.90 2za5 n SER 131 N -4.04 0.81 -4.68 0.00 3.41 -1.26 -4.86 113.62 103.00 2za5 n SER 131 Ca 0.07 0.48 -0.43 0.00 -0.26 0.00 0.00 58.87 58.73 2za5 n SER 131 Cb 0.55 -0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 2za5 n SER 131 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2za5 s GLU 132 N -3.12 4.36 -0.00 4.33 2.56 -0.99 -4.92 118.70 120.92 2za5 s GLU 132 Ca 0.10 1.36 0.21 0.00 0.00 0.00 0.00 54.97 56.63 2za5 s GLU 132 Cb 0.12 -3.58 -0.24 0.00 2.00 0.00 0.00 34.13 32.44 2za5 s GLU 132 CO 0.63 -0.42 0.82 2.41 -0.56 0.00 0.00 175.26 178.14 2za5 n THR 133 N 4.81 0.00 -3.73 -1.70 -1.04 -1.26 -4.93 114.28 106.43 2za5 n THR 133 Ca 0.10 -0.08 -0.28 0.00 -2.04 0.00 0.00 64.05 61.74 2za5 n THR 133 Cb 0.48 0.85 0.02 0.00 -1.82 0.00 0.00 70.33 69.86 2za5 n THR 133 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2za5 n PHE 134 N -1.60 -1.99 -1.26 -1.42 3.72 -1.26 -4.95 117.46 108.70 2za5 n PHE 134 Ca 0.03 0.60 -0.30 0.00 -0.05 0.00 0.00 57.45 57.73 2za5 n PHE 134 Cb 0.36 -3.12 0.12 0.00 -0.94 0.00 0.00 39.48 35.90 2za5 n PHE 134 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2za5 s PRO 135 N -5.51 1.68 0.56 -1.08 0.04 -1.26 -4.87 135.00 124.56 2za5 s PRO 135 Ca 0.23 0.92 -0.20 0.00 0.04 0.00 0.00 61.00 62.00 2za5 s PRO 135 Cb -0.10 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 2za5 s PRO 135 CO 0.89 -1.98 0.99 -2.30 0.04 0.00 0.00 177.00 174.64 2za5 n PRO 136 N -3.72 1.05 0.00 0.56 -0.02 -1.26 -2.97 135.00 128.64 2za5 n PRO 136 Ca 0.08 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2za5 n PRO 136 Cb 0.55 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2za5 n PRO 136 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2za5 n GLY 137 N 1.24 1.98 3.74 -1.23 0.00 -1.26 -5.05 105.19 104.61 2za5 n GLY 137 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2za5 n GLY 137 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2za5 s MET 138 N -0.94 4.51 -0.41 1.61 0.00 -1.16 -4.99 119.30 117.92 2za5 s MET 138 Ca 0.00 1.88 -0.29 0.00 0.00 0.00 0.00 55.69 57.28 2za5 s MET 138 Cb 0.00 -3.22 0.02 0.00 0.00 0.00 0.00 34.83 31.63 2za5 s MET 138 CO 0.00 -0.04 1.19 -1.25 0.00 0.00 0.00 175.02 174.92 2za5 s PRO 139 N -0.56 3.80 0.01 4.11 0.04 -1.26 -4.63 135.00 136.51 2za5 s PRO 139 Ca 0.51 0.81 0.02 0.00 0.04 0.00 0.00 61.00 62.39 2za5 s PRO 139 Cb -0.33 -3.89 -0.01 0.00 0.04 0.00 0.00 34.50 30.31 2za5 s PRO 139 CO 0.38 -1.28 -0.08 0.00 0.04 0.00 0.00 177.00 176.07 2za5 s TRP 141 N -0.51 1.63 -0.03 0.00 0.52 0.40 -1.58 118.94 119.38 2za5 s TRP 141 Ca -0.00 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 55.78 2za5 s TRP 141 Cb -0.05 -0.96 -0.03 0.00 -1.15 0.00 0.00 33.47 31.28 2za5 s TRP 141 CO 0.00 0.09 -0.12 0.08 0.02 0.00 0.00 176.95 177.02 2za5 s VAL 142 N -0.87 3.26 0.09 4.03 1.01 -0.55 -0.97 120.40 126.40 2za5 s VAL 142 Ca 0.05 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.35 2za5 s VAL 142 Cb -0.09 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2za5 s VAL 142 CO 0.02 0.53 -0.15 0.42 0.00 0.00 0.00 175.10 175.92 2za5 s THR 143 N -0.82 1.24 0.00 3.92 -4.23 -1.22 -1.77 115.64 112.77 2za5 s THR 143 Ca 0.13 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 2za5 s THR 143 Cb -0.11 -1.26 0.00 0.00 1.34 0.00 0.00 72.50 72.47 2za5 s THR 143 CO 0.03 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 2za5 n GLY 144 N 1.04 -0.10 1.50 3.99 0.00 -0.66 -4.44 105.19 106.52 2za5 n GLY 144 Ca -0.19 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 44.67 2za5 n GLY 144 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2za5 n TRP 145 N -0.56 1.75 -1.90 1.61 8.01 -1.26 -2.05 117.44 123.04 2za5 n TRP 145 Ca 0.00 -1.37 -0.26 0.00 -1.31 0.00 0.00 57.50 54.56 2za5 n TRP 145 Cb 0.00 -0.58 0.18 0.00 -2.01 0.00 0.00 31.31 28.90 2za5 n TRP 145 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2za5 n GLY 146 N -0.72 -1.30 3.59 6.99 0.00 -1.25 -4.73 105.19 107.77 2za5 n GLY 146 Ca 0.37 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 2za5 n GLY 146 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2za5 n ASP 147 N -3.72 0.85 -0.28 1.61 9.92 0.91 -2.73 116.55 123.11 2za5 n ASP 147 Ca 0.15 0.98 0.13 0.00 -0.53 0.00 0.00 54.79 55.52 2za5 n ASP 147 Cb 0.53 -1.32 0.36 0.00 -0.64 0.00 0.00 41.12 40.05 2za5 n ASP 147 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2za5 n VAL 148 N -0.72 0.00 -3.83 2.53 0.24 0.01 -0.13 118.33 116.43 2za5 n VAL 148 Ca 0.10 -0.14 -0.01 0.00 -2.04 0.00 0.00 64.34 62.25 2za5 n VAL 148 Cb 0.40 0.46 0.01 0.00 -1.47 0.00 0.00 33.84 33.24 2za5 n VAL 148 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2za5 s ASP 149 N -2.47 -0.04 -0.13 -1.34 -1.08 -1.19 -4.37 116.67 106.05 2za5 s ASP 149 Ca 0.25 -0.44 -0.37 0.00 -0.52 0.00 0.00 52.55 51.47 2za5 s ASP 149 Cb 0.19 0.37 -0.14 0.00 -1.46 0.00 0.00 42.92 41.88 2za5 s ASP 149 CO 0.51 -0.72 1.76 0.59 0.52 0.00 0.00 175.17 177.84 2za5 n ASN 150 N -0.93 2.87 -3.22 -0.34 3.02 -1.26 -1.46 115.26 113.94 2za5 n ASN 150 Ca -0.03 1.03 -0.23 0.00 -0.03 0.00 0.00 54.58 55.32 2za5 n ASN 150 Cb 0.60 -1.27 0.03 0.00 -0.61 0.00 0.00 39.78 38.53 2za5 n ASN 150 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2za5 n ASP 151 N 5.58 -5.54 -3.60 6.41 2.03 -1.26 -4.97 116.55 115.20 2za5 n ASP 151 Ca 0.23 -0.37 -0.28 0.00 0.52 0.00 0.00 54.79 54.89 2za5 n ASP 151 Cb 0.22 -4.48 -0.16 0.00 -0.72 0.00 0.00 41.12 35.99 2za5 n ASP 151 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2za5 s GLU 152 N -5.90 0.27 0.63 -0.67 2.12 -0.54 -5.10 118.70 109.51 2za5 s GLU 152 Ca 0.38 -0.50 -0.18 0.00 0.36 0.00 0.00 54.97 55.03 2za5 s GLU 152 Cb -0.18 -1.50 -0.02 0.00 0.26 0.00 0.00 34.13 32.70 2za5 s GLU 152 CO 0.47 -0.91 1.24 1.03 -0.54 0.00 0.00 175.26 176.55 2za5 s ARG 153 N 2.02 2.74 0.10 4.30 1.81 -1.26 -0.81 118.95 127.85 2za5 s ARG 153 Ca 0.07 1.90 -0.31 0.00 -1.72 0.00 0.00 55.73 55.67 2za5 s ARG 153 Cb -0.16 -1.89 -0.09 0.00 -0.45 0.00 0.00 34.95 32.36 2za5 s ARG 153 CO -0.27 -1.41 1.60 -1.17 -0.68 0.00 0.00 175.30 173.37 2za5 s LEU 154 N -4.30 4.36 0.45 2.53 2.96 -1.26 -4.42 118.68 119.01 2za5 s LEU 154 Ca 0.79 2.50 -0.21 0.00 -0.22 0.00 0.00 54.13 56.99 2za5 s LEU 154 Cb -0.33 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.70 2za5 s LEU 154 CO 0.37 -0.85 1.02 -2.84 -1.32 0.00 0.00 176.35 172.73 2za5 s PRO 155 N 2.08 3.98 0.70 0.98 0.02 -1.26 -4.80 135.00 136.70 2za5 s PRO 155 Ca 0.72 1.33 -0.16 0.00 0.02 0.00 0.00 61.00 62.91 2za5 s PRO 155 Cb -0.41 -2.21 -0.00 0.00 0.02 0.00 0.00 34.50 31.90 2za5 s PRO 155 CO 0.32 -0.27 0.94 -0.35 -0.33 0.00 0.00 177.00 177.30 2za5 n PRO 156 N -0.70 0.55 -0.46 5.54 -0.04 -1.26 -1.29 135.00 137.34 2za5 n PRO 156 Ca 0.08 0.24 -0.07 0.00 -0.04 0.00 0.00 63.50 63.70 2za5 n PRO 156 Cb 0.52 -2.19 0.09 0.00 -0.04 0.00 0.00 33.50 31.88 2za5 n PRO 156 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2za5 n PRO 157 N -1.67 1.67 -2.91 0.54 -0.04 -1.26 -4.96 135.00 126.37 2za5 n PRO 157 Ca 0.13 -1.20 -0.12 0.00 -0.04 0.00 0.00 63.50 62.27 2za5 n PRO 157 Cb 0.49 -1.52 0.06 0.00 -0.04 0.00 0.00 33.50 32.49 2za5 n PRO 157 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2za5 n PHE 158 N -0.09 -1.88 -2.45 0.54 3.72 -0.41 -3.96 117.46 112.94 2za5 n PHE 158 Ca 0.22 0.68 -0.36 0.00 -0.05 0.00 0.00 57.45 57.93 2za5 n PHE 158 Cb 0.91 -3.89 -0.03 0.00 -0.94 0.00 0.00 39.48 35.53 2za5 n PHE 158 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2za5 s PRO 159 N -4.27 3.98 0.18 -1.08 0.04 -1.26 -1.61 135.00 130.98 2za5 s PRO 159 Ca 0.29 1.58 -0.32 0.00 0.04 0.00 0.00 61.00 62.59 2za5 s PRO 159 Cb -0.04 -2.43 -0.11 0.00 0.04 0.00 0.00 34.50 31.96 2za5 s PRO 159 CO 0.57 -0.32 1.60 -1.17 0.04 0.00 0.00 177.00 177.73 2za5 s LEU 160 N -2.89 4.37 0.30 -3.56 2.96 0.08 -4.81 118.68 115.14 2za5 s LEU 160 Ca 0.61 2.69 0.08 0.00 -0.22 0.00 0.00 54.13 57.29 2za5 s LEU 160 Cb -0.23 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.82 2za5 s LEU 160 CO 0.29 -0.86 0.12 -0.54 -1.32 0.00 0.00 176.35 174.03 2za5 s LYS 161 N 1.04 2.46 -0.01 1.98 1.02 -0.87 -0.47 119.74 124.90 2za5 s LYS 161 Ca 0.71 -1.41 -0.07 0.00 0.02 0.00 0.00 55.97 55.22 2za5 s LYS 161 Cb -0.45 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 2za5 s LYS 161 CO 0.32 0.24 0.14 1.14 -0.92 0.00 0.00 175.35 176.28 2za5 s GLN 162 N -3.80 0.44 -0.12 1.68 -2.07 -0.29 -1.66 119.66 113.84 2za5 s GLN 162 Ca 0.35 -0.30 -0.08 0.00 -1.82 0.00 0.00 55.36 53.51 2za5 s GLN 162 Cb -0.05 0.19 0.04 0.00 -1.09 0.00 0.00 33.01 32.10 2za5 s GLN 162 CO 0.22 -0.10 0.30 0.54 -1.32 0.00 0.00 175.29 174.93 2za5 s VAL 163 N -1.16 -0.02 -0.10 3.63 0.11 -0.73 -1.58 120.40 120.56 2za5 s VAL 163 Ca -0.12 0.07 -0.30 0.00 -2.93 0.00 0.00 61.98 58.70 2za5 s VAL 163 Cb -0.07 -0.44 -0.01 0.00 -1.53 0.00 0.00 36.38 34.33 2za5 s VAL 163 CO 0.01 0.03 1.01 -0.75 -3.33 0.00 0.00 175.10 172.07 2za5 s LYS 164 N 0.76 4.43 -0.02 1.54 2.20 -1.26 -1.48 119.74 125.91 2za5 s LYS 164 Ca -0.05 1.40 0.07 0.00 -0.36 0.00 0.00 55.97 57.03 2za5 s LYS 164 Cb -0.06 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 2za5 s LYS 164 CO -0.05 -0.30 -0.22 0.14 -0.36 0.00 0.00 175.35 174.56 2za5 s VAL 165 N 1.94 1.77 -0.02 4.02 -7.23 -0.61 -4.92 120.40 115.35 2za5 s VAL 165 Ca 0.49 -0.96 -0.30 0.00 -1.81 0.00 0.00 61.98 59.40 2za5 s VAL 165 Cb -0.19 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 2za5 s VAL 165 CO 0.19 0.50 1.14 -2.16 -0.31 0.00 0.00 175.10 174.45 2za5 s PRO 166 N -0.52 4.42 0.36 4.82 0.04 -1.26 -4.39 135.00 138.47 2za5 s PRO 166 Ca 0.08 1.62 -0.26 0.00 0.04 0.00 0.00 61.00 62.48 2za5 s PRO 166 Cb -0.09 -3.48 -0.09 0.00 0.04 0.00 0.00 34.50 30.88 2za5 s PRO 166 CO -0.01 -0.31 1.07 0.42 0.04 0.00 0.00 177.00 178.22 2za5 s ILE 167 N 1.66 3.61 0.32 0.56 -1.09 -1.26 -1.35 121.20 123.64 2za5 s ILE 167 Ca 0.55 1.37 0.03 0.00 -2.23 0.00 0.00 60.65 60.37 2za5 s ILE 167 Cb -0.24 -3.77 -0.06 0.00 -1.58 0.00 0.00 42.46 36.80 2za5 s ILE 167 CO 0.24 0.14 0.06 0.00 -1.23 0.00 0.00 174.94 174.16 2za5 s MET 168 N -2.12 1.62 0.48 2.79 0.23 -0.62 -4.35 119.30 117.34 2za5 s MET 168 Ca 0.53 -1.89 -0.19 0.00 -1.03 0.00 0.00 55.69 53.10 2za5 s MET 168 Cb -0.26 -0.79 -0.09 0.00 -1.53 0.00 0.00 34.83 32.17 2za5 s MET 168 CO 0.33 -0.20 0.99 -1.21 -2.03 0.00 0.00 175.02 172.90 2za5 s GLU 169 N -3.91 3.95 0.24 3.16 2.02 -1.26 -4.43 118.70 118.47 2za5 s GLU 169 Ca 0.37 1.15 -0.05 0.00 0.02 0.00 0.00 54.97 56.46 2za5 s GLU 169 Cb 0.09 -2.13 0.37 0.00 0.10 0.00 0.00 34.13 32.55 2za5 s GLU 169 CO 0.15 -0.28 1.83 -0.91 0.02 0.00 0.00 175.26 176.07 2za5 h ASN 170 N 1.42 0.75 -0.40 -0.19 -0.26 -1.94 -1.40 115.58 113.56 2za5 h ASN 170 Ca -0.48 0.03 -0.07 0.00 -0.56 0.00 0.00 56.30 55.21 2za5 h ASN 170 Cb 1.20 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 38.32 2za5 h ASN 170 CO 0.60 0.45 -0.01 1.12 -1.06 0.00 0.00 177.43 178.54 2za5 h HIS 171 N 0.87 0.85 -0.21 1.19 2.07 -1.93 0.38 115.15 118.37 2za5 h HIS 171 Ca 0.39 -0.12 -0.20 0.00 -2.85 0.00 0.00 60.37 57.58 2za5 h HIS 171 Cb 0.27 -0.23 0.01 0.00 2.57 0.00 0.00 27.41 30.02 2za5 h HIS 171 CO -0.05 0.79 -0.67 0.97 -3.07 0.00 0.00 177.93 175.90 2za5 h ILE 172 N 0.74 1.28 -0.48 6.12 2.10 -1.84 -1.07 117.51 124.36 2za5 h ILE 172 Ca 0.14 -1.87 -0.00 0.00 1.08 0.00 0.00 64.86 64.21 2za5 h ILE 172 Cb 0.46 1.82 -0.02 0.00 -1.09 0.00 0.00 36.82 37.99 2za5 h ILE 172 CO 0.02 0.60 0.30 0.00 -1.08 0.00 0.00 178.15 177.99 2za5 h ASP 174 N 0.64 0.47 -0.23 0.00 3.58 -0.17 -2.44 116.42 118.27 2za5 h ASP 174 Ca 0.17 -0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.48 2za5 h ASP 174 Cb -0.03 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 2za5 h ASP 174 CO -0.03 0.35 -0.25 0.00 -2.88 0.00 0.00 179.24 176.43 2za5 h ALA 175 N 1.14 0.90 -0.77 -0.78 0.00 -0.91 -2.58 119.26 116.25 2za5 h ALA 175 Ca 0.15 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.76 2za5 h ALA 175 Cb -0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.53 2za5 h ALA 175 CO -0.03 0.62 0.43 0.87 0.00 0.00 0.00 179.25 181.14 2za5 h LYS 176 N 0.62 0.73 0.00 0.00 1.57 -0.33 -0.37 116.57 118.78 2za5 h LYS 176 Ca 0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2za5 h LYS 176 Cb 0.75 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2za5 h LYS 176 CO 0.06 0.48 0.00 1.88 -0.57 0.00 0.00 179.45 181.30 2za5 h TYR 177 N 0.75 0.00 0.00 -1.35 -1.99 -1.03 -1.66 116.97 111.69 2za5 h TYR 177 Ca 0.36 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.09 2za5 h TYR 177 Cb 0.31 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.04 2za5 h TYR 177 CO -0.07 0.00 -0.72 0.45 -0.00 0.00 0.00 178.16 177.82 2za5 h HIS 178 N 0.00 0.00 -2.68 4.88 3.86 -0.98 -3.43 115.15 116.80 2za5 h HIS 178 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 2za5 h HIS 178 Cb 0.25 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.73 2za5 h HIS 178 CO 0.00 0.03 1.01 -0.51 0.86 0.00 0.00 177.93 179.32 2za5 s LEU 179 N -5.65 4.36 -0.44 2.43 1.43 -0.62 -1.85 118.68 118.34 2za5 s LEU 179 Ca 0.02 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 2za5 s LEU 179 Cb 0.08 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2za5 s LEU 179 CO 0.76 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 177.06 2za5 n GLY 180 N 4.01 0.70 3.30 -3.19 0.00 -1.26 -5.02 105.19 103.73 2za5 n GLY 180 Ca 0.16 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 2za5 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2za5 s ALA 181 N -2.10 1.82 -0.32 4.61 0.00 -0.77 -5.05 121.76 119.95 2za5 s ALA 181 Ca 0.00 -1.47 0.26 0.00 0.00 0.00 0.00 51.96 50.76 2za5 s ALA 181 Cb 0.00 -0.12 0.69 0.00 0.00 0.00 0.00 23.12 23.69 2za5 s ALA 181 CO 0.00 0.14 1.73 1.88 0.00 0.00 0.00 175.76 179.51 2za5 h TYR 182 N 3.16 0.00 -3.28 0.00 0.05 -1.94 -3.47 116.97 111.48 2za5 h TYR 182 Ca -0.40 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 57.83 2za5 h TYR 182 Cb 1.21 0.00 0.09 0.00 1.01 0.00 0.00 36.73 39.04 2za5 h TYR 182 CO 0.68 0.00 0.75 2.41 -1.05 0.00 0.00 178.16 180.94 2za5 n THR 183 N -3.00 1.35 -1.71 -2.88 -1.04 -1.26 -4.91 114.28 100.83 2za5 n THR 183 Ca 0.03 -0.34 -0.41 0.00 -2.04 0.00 0.00 64.05 61.29 2za5 n THR 183 Cb 0.45 -1.80 0.01 0.00 -1.82 0.00 0.00 70.33 67.17 2za5 n THR 183 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2za5 n GLY 184 N 1.61 0.63 0.27 3.41 0.00 -1.26 -4.89 105.19 104.96 2za5 n GLY 184 Ca 0.07 0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.44 2za5 n GLY 184 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2za5 h ASP 185 N 2.22 0.00 0.41 1.61 3.32 -1.98 -1.55 116.42 120.46 2za5 h ASP 185 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2za5 h ASP 185 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2za5 h ASP 185 CO 0.61 0.09 -0.05 -0.90 -1.72 0.00 0.00 179.24 177.26 2za5 n ASP 186 N -3.71 0.21 -4.59 6.45 5.68 -1.26 -4.73 116.55 114.60 2za5 n ASP 186 Ca -0.02 -0.43 -0.41 0.00 -0.50 0.00 0.00 54.79 53.42 2za5 n ASP 186 Cb 0.19 -0.16 -0.06 0.00 -1.14 0.00 0.00 41.12 39.95 2za5 n ASP 186 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2za5 s VAL 187 N -2.46 4.91 -0.35 2.12 1.01 -0.58 -5.03 120.40 120.02 2za5 s VAL 187 Ca 0.31 0.82 -0.29 0.00 0.00 0.00 0.00 61.98 62.82 2za5 s VAL 187 Cb 0.20 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.56 2za5 s VAL 187 CO 0.46 -0.19 1.24 -0.13 0.00 0.00 0.00 175.10 176.47 2za5 s ARG 188 N 2.67 3.88 -0.19 2.72 1.81 -1.26 -4.89 118.95 123.68 2za5 s ARG 188 Ca 0.26 1.06 -0.21 0.00 -1.72 0.00 0.00 55.73 55.12 2za5 s ARG 188 Cb -0.15 -3.87 -0.18 0.00 -0.45 0.00 0.00 34.95 30.31 2za5 s ARG 188 CO 0.13 -1.17 0.23 0.82 -0.68 0.00 0.00 175.30 174.63 2za5 h ILE 189 N 6.02 0.90 -3.56 1.52 2.04 -1.96 -3.45 117.51 119.02 2za5 h ILE 189 Ca -0.25 -2.04 -0.63 0.00 1.00 0.00 0.00 64.86 62.95 2za5 h ILE 189 Cb 1.08 2.06 -0.13 0.00 -0.74 0.00 0.00 36.82 39.09 2za5 h ILE 189 CO 1.06 0.30 0.17 -0.69 0.00 0.00 0.00 178.15 178.99 2za5 s VAL 190 N -2.31 4.87 0.55 1.67 1.01 -1.26 -4.98 120.40 119.94 2za5 s VAL 190 Ca -0.25 0.62 0.03 0.00 0.00 0.00 0.00 61.98 62.37 2za5 s VAL 190 Cb 0.04 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.37 2za5 s VAL 190 CO 0.55 -0.33 0.76 -0.13 0.00 0.00 0.00 175.10 175.94 2za5 s ARG 191 N 2.76 2.47 0.57 2.72 0.52 -1.26 -4.83 118.95 121.90 2za5 s ARG 191 Ca 0.25 -1.00 0.35 0.00 -0.52 0.00 0.00 55.73 54.82 2za5 s ARG 191 Cb -0.14 -2.54 1.59 0.00 0.52 0.00 0.00 34.95 34.38 2za5 s ARG 191 CO 0.15 -0.73 2.07 -0.44 0.02 0.00 0.00 175.30 176.37 2za5 h ASP 192 N 0.12 0.00 -0.30 0.23 5.19 -1.99 -1.40 116.42 118.27 2za5 h ASP 192 Ca -0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 2za5 h ASP 192 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2za5 h ASP 192 CO 0.48 0.02 0.00 -0.90 -3.12 0.00 0.00 179.24 175.72 2za5 n ASP 193 N -3.15 1.62 -4.72 6.45 5.75 -1.26 -4.86 116.55 116.38 2za5 n ASP 193 Ca -0.00 -2.01 -0.25 0.00 -0.01 0.00 0.00 54.79 52.52 2za5 n ASP 193 Cb 0.25 -0.20 -0.08 0.00 -1.03 0.00 0.00 41.12 40.06 2za5 n ASP 193 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2za5 s MET 194 N -1.60 2.19 -0.14 0.11 -1.94 -0.53 0.26 119.30 117.65 2za5 s MET 194 Ca 0.20 -1.85 -0.11 0.00 -1.71 0.00 0.00 55.69 52.21 2za5 s MET 194 Cb 0.10 -1.95 0.04 0.00 2.01 0.00 0.00 34.83 35.04 2za5 s MET 194 CO 0.13 -0.08 0.36 -1.17 -0.01 0.00 0.00 175.02 174.25 2za5 s LEU 195 N -3.86 0.50 -0.03 -0.03 0.20 0.39 -4.51 118.68 111.32 2za5 s LEU 195 Ca 0.40 0.73 0.04 0.00 0.69 0.00 0.00 54.13 55.99 2za5 s LEU 195 Cb 0.04 1.20 -0.03 0.00 -0.43 0.00 0.00 46.19 46.97 2za5 s LEU 195 CO 0.22 -0.14 -0.14 0.00 -0.29 0.00 0.00 176.35 176.00 2za5 s ALA 197 N -0.78 -0.79 0.00 0.00 0.00 -0.69 -1.59 121.76 117.92 2za5 s ALA 197 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2za5 s ALA 197 Cb -0.11 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.67 2za5 s ALA 197 CO 0.02 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.57 2za5 n GLY 198 N -0.19 1.65 0.00 0.00 0.00 -0.46 -0.98 105.19 105.21 2za5 n GLY 198 Ca -0.16 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.82 2za5 n GLY 198 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2za5 n ASN 199 N 0.00 0.00 0.00 1.61 0.23 -0.04 -4.72 115.26 112.34 2za5 n ASN 199 Ca 0.00 -0.16 0.09 0.00 -0.53 0.00 0.00 54.58 53.98 2za5 n ASN 199 Cb 0.00 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.19 2za5 n ASN 199 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2za5 n THR 200 N 0.00 0.36 0.00 5.53 -2.24 -1.26 -3.26 114.28 113.41 2za5 n THR 200 Ca 0.00 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2za5 n THR 200 Cb 0.00 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 2za5 n THR 200 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2za5 n ARG 201 N -1.23 3.02 -3.73 -0.78 5.12 -1.26 -4.79 116.66 113.01 2za5 n ARG 201 Ca 0.10 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.81 2za5 n ARG 201 Cb 0.13 -0.75 -0.18 0.00 -1.16 0.00 0.00 32.46 30.51 2za5 n ARG 201 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2za5 s ARG 202 N -1.47 0.17 0.13 5.56 0.52 -1.20 -3.63 118.95 119.03 2za5 s ARG 202 Ca 0.00 0.26 -0.25 0.00 -0.52 0.00 0.00 55.73 55.23 2za5 s ARG 202 Cb 0.00 -0.64 0.07 0.00 0.52 0.00 0.00 34.95 34.90 2za5 s ARG 202 CO 0.00 -0.30 0.78 0.34 0.02 0.00 0.00 175.30 176.14 2za5 s ASP 203 N 1.98 -0.37 0.62 0.23 -1.08 -1.05 -0.86 116.67 116.13 2za5 s ASP 203 Ca 0.03 -0.20 -0.06 0.00 -0.52 0.00 0.00 52.55 51.80 2za5 s ASP 203 Cb -0.12 0.53 0.02 0.00 -1.46 0.00 0.00 42.92 41.89 2za5 s ASP 203 CO -0.04 -0.92 0.93 -0.94 0.52 0.00 0.00 175.17 174.73 2za5 s SER 204 N -2.74 5.43 0.17 -0.34 1.04 -1.26 -0.81 113.70 115.19 2za5 s SER 204 Ca 0.06 0.69 -0.00 0.00 0.48 0.00 0.00 55.95 57.18 2za5 s SER 204 Cb -0.02 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.50 2za5 s SER 204 CO -0.05 -1.19 0.22 0.00 0.98 0.00 0.00 173.24 173.20 2za5 n GLN 206 N -0.28 1.74 0.00 0.00 7.27 -1.26 -0.75 117.38 124.10 2za5 n GLN 206 Ca 0.01 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.71 2za5 n GLN 206 Cb 0.28 -2.36 0.00 0.00 2.41 0.00 0.00 30.24 30.57 2za5 n GLN 206 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2za5 n GLY 207 N 3.34 1.77 0.06 1.69 0.00 -1.26 -0.07 105.19 110.73 2za5 n GLY 207 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 2za5 n GLY 207 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2za5 n ASP 208 N 0.00 0.61 -4.45 1.61 8.00 0.07 -3.77 116.55 118.62 2za5 n ASP 208 Ca 0.00 0.06 -0.49 0.00 0.71 0.00 0.00 54.79 55.07 2za5 n ASP 208 Cb 0.00 0.79 -0.04 0.00 -0.02 0.00 0.00 41.12 41.86 2za5 n ASP 208 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2za5 n SER 209 N -2.30 -0.51 0.00 -2.24 7.64 -1.25 -1.38 113.62 113.58 2za5 n SER 209 Ca 0.00 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2za5 n SER 209 Cb 0.50 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 2za5 n SER 209 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2za5 n GLY 210 N 1.82 2.92 3.84 0.23 0.00 0.08 -0.64 105.19 113.45 2za5 n GLY 210 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2za5 n GLY 210 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2za5 s GLY 211 N -1.50 1.62 0.07 -0.02 0.00 -0.48 -3.60 107.32 103.42 2za5 s GLY 211 Ca 0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 44.72 43.81 2za5 s GLY 211 CO 0.00 -0.13 0.53 2.56 0.00 0.00 0.00 173.10 176.05 2za5 s PRO 212 N -5.52 4.10 -0.32 2.90 0.04 -1.26 -0.94 135.00 134.00 2za5 s PRO 212 Ca 0.66 0.62 -0.10 0.00 0.04 0.00 0.00 61.00 62.22 2za5 s PRO 212 Cb -0.11 -3.18 -0.00 0.00 0.04 0.00 0.00 34.50 31.24 2za5 s PRO 212 CO 0.52 0.63 0.15 -1.17 0.04 0.00 0.00 177.00 177.17 2za5 s LEU 213 N -1.24 4.16 -0.02 -3.56 2.96 0.10 -3.37 118.68 117.71 2za5 s LEU 213 Ca 0.29 -0.58 0.06 0.00 -0.22 0.00 0.00 54.13 53.68 2za5 s LEU 213 Cb -0.18 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 2za5 s LEU 213 CO 0.18 -0.21 -0.20 0.68 -1.32 0.00 0.00 176.35 175.48 2za5 s VAL 214 N 1.60 2.62 0.10 1.68 -7.23 -0.14 -0.20 120.40 118.83 2za5 s VAL 214 Ca 0.04 -0.95 0.10 0.00 -1.81 0.00 0.00 61.98 59.36 2za5 s VAL 214 Cb -0.17 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 2za5 s VAL 214 CO 0.06 0.55 -0.25 0.00 -0.31 0.00 0.00 175.10 175.15 2za5 s LYS 216 N -1.74 3.24 -0.12 0.00 2.20 -0.75 0.08 119.74 122.65 2za5 s LYS 216 Ca 0.11 -0.47 0.03 0.00 -0.36 0.00 0.00 55.97 55.29 2za5 s LYS 216 Cb -0.10 -3.97 0.01 0.00 -1.51 0.00 0.00 37.83 32.26 2za5 s LYS 216 CO 0.04 -1.02 -0.23 0.08 -0.36 0.00 0.00 175.35 173.87 2za5 s VAL 217 N 2.73 2.03 -1.57 4.02 1.01 0.23 -4.65 120.40 124.20 2za5 s VAL 217 Ca 0.21 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 2za5 s VAL 217 Cb -0.15 -1.78 0.10 0.00 0.00 0.00 0.00 36.38 34.55 2za5 s VAL 217 CO 0.18 0.55 0.90 -3.20 0.00 0.00 0.00 175.10 173.53 2za5 n ASN 218 N 3.80 -4.09 -1.73 3.32 5.15 -1.26 0.11 115.26 120.56 2za5 n ASN 218 Ca -0.20 -0.85 -0.20 0.00 -0.60 0.00 0.00 54.58 52.73 2za5 n ASN 218 Cb 0.52 -3.55 -0.07 0.00 -0.53 0.00 0.00 39.78 36.15 2za5 n ASN 218 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2za5 n GLY 219 N -1.62 1.39 3.18 8.20 0.00 -1.26 -4.99 105.19 110.09 2za5 n GLY 219 Ca 0.03 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2za5 n GLY 219 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2za5 s THR 220 N -2.81 1.60 -0.27 2.61 2.01 0.12 -5.11 115.64 113.79 2za5 s THR 220 Ca 0.00 -0.83 -0.27 0.00 0.31 0.00 0.00 61.69 60.91 2za5 s THR 220 Cb 0.00 -1.36 0.01 0.00 0.01 0.00 0.00 72.50 71.15 2za5 s THR 220 CO 0.00 0.46 0.94 0.26 -0.69 0.00 0.00 174.62 175.59 2za5 s TRP 221 N -0.11 3.25 -0.05 4.92 0.52 -1.26 0.77 118.94 126.99 2za5 s TRP 221 Ca -0.01 1.17 0.04 0.00 0.02 0.00 0.00 56.10 57.32 2za5 s TRP 221 Cb -0.11 -3.32 -0.02 0.00 -1.15 0.00 0.00 33.47 28.86 2za5 s TRP 221 CO 0.02 -0.56 -0.16 -0.51 0.02 0.00 0.00 176.95 175.76 2za5 s LEU 222 N 3.19 2.62 -0.49 2.99 1.43 0.11 -3.73 118.68 124.79 2za5 s LEU 222 Ca 0.40 -0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 52.97 2za5 s LEU 222 Cb -0.14 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.58 2za5 s LEU 222 CO 0.10 0.34 1.33 -1.58 0.23 0.00 0.00 176.35 176.76 2za5 s GLN 223 N -0.68 3.51 0.08 1.70 0.74 -0.46 -0.99 119.66 123.57 2za5 s GLN 223 Ca 0.10 0.62 -0.07 0.00 0.05 0.00 0.00 55.36 56.06 2za5 s GLN 223 Cb -0.11 -4.03 -0.24 0.00 1.10 0.00 0.00 33.01 29.73 2za5 s GLN 223 CO 0.00 -1.66 1.16 0.00 -0.55 0.00 0.00 175.29 174.25 2za5 h ALA 224 N 10.36 0.12 -2.86 1.58 0.00 -0.93 -3.37 119.26 124.15 2za5 h ALA 224 Ca -0.26 -0.82 -0.03 0.00 0.00 0.00 0.00 54.91 53.80 2za5 h ALA 224 Cb 1.09 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 2za5 h ALA 224 CO 1.14 0.86 -0.03 0.20 0.00 0.00 0.00 179.25 181.42 2za5 s GLY 225 N -4.56 0.27 -0.16 0.00 0.00 -0.85 -2.22 107.32 99.80 2za5 s GLY 225 Ca -0.06 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.06 2za5 s GLY 225 CO 0.89 -0.45 -0.20 0.14 0.00 0.00 0.00 173.10 173.48 2za5 s VAL 226 N -3.96 2.19 -0.20 1.40 1.01 -0.91 -0.72 120.40 119.21 2za5 s VAL 226 Ca 0.17 -0.92 -0.39 0.00 0.00 0.00 0.00 61.98 60.84 2za5 s VAL 226 Cb -0.02 -1.90 -0.16 0.00 0.00 0.00 0.00 36.38 34.31 2za5 s VAL 226 CO 0.05 0.54 1.68 0.52 0.00 0.00 0.00 175.10 177.89 2za5 n VAL 227 N 4.30 0.27 0.03 2.92 0.31 -0.12 -0.61 118.33 125.44 2za5 n VAL 227 Ca -0.20 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2za5 n VAL 227 Cb 0.51 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 2za5 n VAL 227 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2za5 n SER 228 N 4.95 0.51 -0.56 4.52 2.88 -0.77 -0.74 113.62 124.42 2za5 n SER 228 Ca 0.25 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2za5 n SER 228 Cb 0.15 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2za5 n SER 228 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2za5 n TRP 229 N -3.02 -0.51 0.00 0.66 4.27 -0.86 -4.93 117.44 113.05 2za5 n TRP 229 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2za5 n TRP 229 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 2za5 n TRP 229 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2za5 n GLY 230 N 0.00 1.86 3.48 -1.67 0.00 -1.26 -0.97 105.19 106.62 2za5 n GLY 230 Ca 0.00 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 2za5 n GLY 230 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2za5 s GLU 231 N -1.91 3.12 2.41 1.61 2.12 -1.26 -4.93 118.70 119.87 2za5 s GLU 231 Ca 0.00 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.58 2za5 s GLU 231 Cb 0.00 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.39 2za5 s GLU 231 CO 0.00 -0.95 0.00 0.41 -0.54 0.00 0.00 175.26 174.18 2za5 n GLY 232 N 5.11 -0.14 3.09 -1.50 0.00 -1.26 -4.61 105.19 105.88 2za5 n GLY 232 Ca -0.06 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 2za5 n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2za5 n ALA 234 N 3.47 -0.85 -2.36 0.00 0.00 -1.26 -4.67 120.51 114.84 2za5 n ALA 234 Ca -0.20 0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 2za5 n ALA 234 Cb 0.52 -3.12 -0.06 0.00 0.00 0.00 0.00 19.45 16.80 2za5 n ALA 234 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2za5 s GLN 235 N -5.47 3.94 0.11 0.00 -1.52 -1.26 -4.41 119.66 111.05 2za5 s GLN 235 Ca 0.19 0.45 -0.34 0.00 -1.95 0.00 0.00 55.36 53.71 2za5 s GLN 235 Cb -0.09 -2.82 -0.13 0.00 -0.22 0.00 0.00 33.01 29.74 2za5 s GLN 235 CO 0.24 0.41 1.63 -2.30 -0.25 0.00 0.00 175.29 175.02 2za5 n PRO 236 N 0.48 2.15 -1.26 2.91 -0.02 -1.26 -2.15 135.00 135.85 2za5 n PRO 236 Ca -0.03 0.78 -0.09 0.00 -2.02 0.00 0.00 63.50 62.14 2za5 n PRO 236 Cb 0.52 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 2za5 n PRO 236 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2za5 n ASN 237 N 4.02 -4.59 -3.28 2.55 5.03 -1.26 -4.93 115.26 112.80 2za5 n ASN 237 Ca 0.18 0.22 -0.25 0.00 0.87 0.00 0.00 54.58 55.60 2za5 n ASN 237 Cb 0.29 -2.87 -0.07 0.00 -1.02 0.00 0.00 39.78 36.11 2za5 n ASN 237 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2za5 n ARG 238 N -2.04 1.69 -0.91 3.52 5.12 -0.91 -3.72 116.66 119.40 2za5 n ARG 238 Ca -0.09 -3.98 -0.30 0.00 -1.93 0.00 0.00 57.85 51.55 2za5 n ARG 238 Cb 0.38 -1.77 0.18 0.00 -1.16 0.00 0.00 32.46 30.09 2za5 n ARG 238 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2za5 s PRO 239 N -1.96 0.57 0.33 5.56 0.04 -1.26 -4.44 135.00 133.83 2za5 s PRO 239 Ca 0.38 0.97 -0.28 0.00 0.04 0.00 0.00 61.00 62.11 2za5 s PRO 239 Cb 0.18 -1.72 -0.10 0.00 0.04 0.00 0.00 34.50 32.90 2za5 s PRO 239 CO -0.06 -2.76 1.21 0.20 0.04 0.00 0.00 177.00 175.63 2za5 s GLY 240 N -3.01 3.00 -0.11 0.56 0.00 -0.15 -4.70 107.32 102.91 2za5 s GLY 240 Ca 0.66 1.09 0.01 0.00 0.00 0.00 0.00 44.72 46.47 2za5 s GLY 240 CO 0.59 1.69 -0.12 -0.42 0.00 0.00 0.00 173.10 174.84 2za5 s ILE 241 N -1.20 3.16 0.17 0.90 1.01 -0.15 -1.71 121.20 123.38 2za5 s ILE 241 Ca 0.49 -0.64 0.10 0.00 0.00 0.00 0.00 60.65 60.59 2za5 s ILE 241 Cb -0.35 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 2za5 s ILE 241 CO 0.46 0.54 -0.21 -0.31 0.00 0.00 0.00 174.94 175.42 2za5 s TYR 242 N -0.01 2.03 0.03 3.97 1.51 0.49 -1.85 117.35 123.53 2za5 s TYR 242 Ca -0.03 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.31 2za5 s TYR 242 Cb -0.14 -1.02 -0.05 0.00 -0.11 0.00 0.00 41.96 40.63 2za5 s TYR 242 CO 0.04 0.39 1.22 0.99 -1.11 0.00 0.00 175.55 177.08 2za5 s THR 243 N -1.75 4.04 -0.64 -0.71 2.01 0.22 -0.46 115.64 118.34 2za5 s THR 243 Ca 0.17 1.44 -0.27 0.00 0.31 0.00 0.00 61.69 63.33 2za5 s THR 243 Cb -0.07 -3.92 0.01 0.00 0.01 0.00 0.00 72.50 68.53 2za5 s THR 243 CO 0.08 0.07 1.44 -0.60 -0.69 0.00 0.00 174.62 174.92 2za5 s ARG 244 N 1.48 3.14 0.40 4.92 3.52 0.14 -2.13 118.95 130.42 2za5 s ARG 244 Ca 0.59 0.21 0.14 0.00 -0.13 0.00 0.00 55.73 56.54 2za5 s ARG 244 Cb -0.29 -4.19 0.99 0.00 -1.56 0.00 0.00 34.95 29.90 2za5 s ARG 244 CO 0.27 -2.16 1.87 0.28 -0.81 0.00 0.00 175.30 174.75 2za5 h VAL 245 N 6.33 0.74 -0.19 7.11 2.07 -1.74 -0.71 116.25 129.87 2za5 h VAL 245 Ca -0.27 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2za5 h VAL 245 Cb 1.09 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2za5 h VAL 245 CO 1.22 0.09 0.06 0.71 0.02 0.00 0.00 177.57 179.67 2za5 h THR 246 N 0.50 1.09 0.00 2.57 1.35 -1.88 -1.92 112.91 114.61 2za5 h THR 246 Ca 0.45 -0.30 -0.01 0.00 -0.55 0.00 0.00 66.41 66.00 2za5 h THR 246 Cb 0.97 0.89 -0.00 0.00 -1.73 0.00 0.00 68.15 68.28 2za5 h THR 246 CO -0.18 0.11 -0.06 0.22 -0.25 0.00 0.00 175.52 175.36 2za5 h TYR 247 N 0.26 0.00 -0.18 4.73 5.03 -1.48 -2.94 116.97 122.39 2za5 h TYR 247 Ca 0.07 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.38 2za5 h TYR 247 Cb 0.09 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.37 2za5 h TYR 247 CO 0.00 0.06 0.00 0.66 -1.32 0.00 0.00 178.16 177.56 2za5 n TYR 248 N -3.95 0.50 -0.23 -3.82 4.01 -0.73 -4.72 117.16 108.21 2za5 n TYR 248 Ca -0.03 -0.78 0.00 0.00 -0.16 0.00 0.00 57.90 56.93 2za5 n TYR 248 Cb 0.15 -0.18 0.12 0.00 -0.31 0.00 0.00 39.34 39.11 2za5 n TYR 248 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2za5 h LEU 249 N 1.18 0.47 0.36 7.72 3.38 -1.42 -0.81 115.31 126.18 2za5 h LEU 249 Ca 0.00 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2za5 h LEU 249 Cb 1.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2za5 h LEU 249 CO 0.10 0.28 -0.17 0.44 0.09 0.00 0.00 178.44 179.17 2za5 h ASP 250 N 0.61 -0.41 -0.03 -0.43 3.32 -1.85 0.36 116.42 117.98 2za5 h ASP 250 Ca 0.33 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.43 2za5 h ASP 250 Cb 0.30 0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 2za5 h ASP 250 CO -0.24 -0.29 -0.32 -0.25 -1.72 0.00 0.00 179.24 176.41 2za5 h TRP 251 N -0.48 -0.89 -0.82 4.55 7.01 -1.86 -1.67 115.95 121.79 2za5 h TRP 251 Ca -0.05 0.03 0.16 0.00 2.11 0.00 0.00 58.89 61.15 2za5 h TRP 251 Cb 0.37 0.40 -0.10 0.00 -2.10 0.00 0.00 29.16 27.73 2za5 h TRP 251 CO -0.05 -0.41 0.36 0.82 -2.79 0.00 0.00 178.44 176.37 2za5 h ILE 252 N -0.46 0.63 0.00 2.65 2.04 -0.98 -0.95 117.51 120.45 2za5 h ILE 252 Ca 0.07 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2za5 h ILE 252 Cb 0.56 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2za5 h ILE 252 CO -0.29 0.09 0.00 1.41 0.00 0.00 0.00 178.15 179.36 2za5 n HIS 253 N -4.98 0.00 0.29 1.37 8.25 0.10 -0.74 115.22 119.51 2za5 n HIS 253 Ca 0.17 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.80 2za5 n HIS 253 Cb 0.48 -0.48 0.67 0.00 1.12 0.00 0.00 29.99 31.78 2za5 n HIS 253 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2za5 h HIS 254 N 0.00 0.00 0.00 4.41 3.86 -0.28 -3.38 115.15 119.76 2za5 h HIS 254 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 2za5 h HIS 254 Cb 0.37 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 2za5 h HIS 254 CO 0.00 0.00 -1.09 0.66 0.86 0.00 0.00 177.93 178.36 2za5 n TYR 255 N -2.99 0.00 -3.50 2.45 4.01 -0.53 -5.00 117.16 111.59 2za5 n TYR 255 Ca 0.01 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 2za5 n TYR 255 Cb 0.29 -0.06 -0.08 0.00 -0.31 0.00 0.00 39.34 39.18 2za5 n TYR 255 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2za5 s VAL 256 N -2.03 5.26 0.34 -0.72 1.01 0.08 -5.06 120.40 119.28 2za5 s VAL 256 Ca -0.02 0.49 -0.29 0.00 0.00 0.00 0.00 61.98 62.16 2za5 s VAL 256 Cb 0.01 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.65 2za5 s VAL 256 CO 0.04 0.29 1.35 -2.16 0.00 0.00 0.00 175.10 174.62 2za5 s PRO 257 N 1.23 4.30 0.00 2.72 0.04 -1.26 -4.46 135.00 137.57 2za5 s PRO 257 Ca 0.14 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2za5 s PRO 257 Cb -0.14 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2za5 s PRO 257 CO 0.07 -0.28 0.00 1.17 0.04 0.00 0.00 177.00 178.00