#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 5.38 0.00 1.39 1.01 -0.25 -4.16 120.40 123.77 2za5 s VAL 17 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.31 2za5 s VAL 17 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2za5 s VAL 17 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2za5 n GLY 18 N 3.00 -0.01 7.00 4.51 0.00 -1.24 -3.04 105.19 115.41 2za5 n GLY 18 Ca -0.16 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 0.08 3.60 -0.02 0.00 -1.26 -4.90 105.19 102.68 2za5 n GLY 19 Ca 0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 2za5 n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2za5 s GLN 20 N 0.00 1.83 0.31 1.61 -0.21 -0.22 -4.94 119.66 118.04 2za5 s GLN 20 Ca 0.00 -1.49 -0.29 0.00 0.02 0.00 0.00 55.36 53.60 2za5 s GLN 20 Cb 0.00 0.49 -0.10 0.00 1.00 0.00 0.00 33.01 34.40 2za5 s GLN 20 CO 0.00 -0.79 1.41 -2.00 -2.12 0.00 0.00 175.29 171.80 2za5 s GLU 21 N -3.30 4.26 0.40 2.91 2.12 -1.26 -0.14 118.70 123.69 2za5 s GLU 21 Ca 0.24 2.35 -0.23 0.00 0.36 0.00 0.00 54.97 57.69 2za5 s GLU 21 Cb -0.02 -3.06 -0.10 0.00 0.26 0.00 0.00 34.13 31.22 2za5 s GLU 21 CO 0.14 -0.37 0.98 0.00 -0.54 0.00 0.00 175.26 175.46 2za5 s ALA 22 N -0.66 3.08 0.60 6.30 0.00 0.29 -4.78 121.76 126.58 2za5 s ALA 22 Ca 0.54 0.52 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 2za5 s ALA 22 Cb -0.42 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 2za5 s ALA 22 CO 0.51 0.03 1.16 -2.14 0.00 0.00 0.00 175.76 175.32 2za5 s PRO 23 N -2.74 3.01 0.53 0.00 0.02 -1.26 -4.93 135.00 129.63 2za5 s PRO 23 Ca 0.59 1.66 0.25 0.00 0.02 0.00 0.00 61.00 63.51 2za5 s PRO 23 Cb -0.15 -1.95 1.49 0.00 0.02 0.00 0.00 34.50 33.91 2za5 s PRO 23 CO 0.20 -1.14 2.14 0.00 -0.33 0.00 0.00 177.00 177.86 2za5 h ARG 24 N 0.73 0.00 -0.06 5.54 3.08 -2.00 -2.31 114.38 119.37 2za5 h ARG 24 Ca -0.49 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.41 2za5 h ARG 24 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 2za5 h ARG 24 CO 0.55 0.07 -0.63 0.66 -1.07 0.00 0.00 179.97 179.55 2za5 h SER 25 N 0.00 0.24 -3.85 7.04 4.64 -1.97 -3.48 113.55 116.19 2za5 h SER 25 Ca -0.00 -0.15 -0.49 0.00 -0.47 0.00 0.00 61.79 60.69 2za5 h SER 25 Cb 0.17 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2za5 h SER 25 CO 0.01 0.81 0.19 -0.54 -0.87 0.00 0.00 176.83 176.44 2za5 s LYS 26 N -3.69 3.84 -1.17 4.77 1.02 -0.87 -4.36 119.74 119.29 2za5 s LYS 26 Ca -0.04 0.63 -0.00 0.00 0.02 0.00 0.00 55.97 56.58 2za5 s LYS 26 Cb 0.12 -2.32 -0.00 0.00 -0.52 0.00 0.00 37.83 35.11 2za5 s LYS 26 CO 0.80 -0.09 0.97 0.91 -0.92 0.00 0.00 175.35 177.02 2za5 n TRP 27 N -1.33 -2.15 0.19 3.18 5.03 -1.26 -4.89 117.44 116.22 2za5 n TRP 27 Ca 0.04 0.91 0.09 0.00 3.03 0.00 0.00 57.50 61.57 2za5 n TRP 27 Cb 0.54 -4.98 0.46 0.00 -1.03 0.00 0.00 31.31 26.29 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 -4.02 0.12 0.02 -0.99 -0.04 -1.26 -1.93 135.00 126.89 2za5 n PRO 28 Ca -0.28 0.56 0.11 0.00 -0.04 0.00 0.00 63.50 63.86 2za5 n PRO 28 Cb 0.66 -1.84 0.10 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.09 0.15 -1.70 0.54 2.14 -1.16 -3.08 117.44 112.24 2za5 n TRP 29 Ca -0.00 0.04 -0.43 0.00 2.07 0.00 0.00 57.50 59.18 2za5 n TRP 29 Cb 0.07 -0.32 -0.03 0.00 -0.81 0.00 0.00 31.31 30.21 2za5 n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 2za5 n GLN 30 N -1.73 2.65 -4.43 -2.67 -0.06 -0.81 -0.26 117.38 110.07 2za5 n GLN 30 Ca 0.04 0.96 -0.22 0.00 -2.00 0.00 0.00 57.00 55.78 2za5 n GLN 30 Cb 0.38 -2.80 -0.10 0.00 -4.06 0.00 0.00 30.24 23.66 2za5 n GLN 30 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 2za5 s VAL 31 N 1.52 1.82 -0.06 1.69 -7.23 -0.36 -2.14 120.40 115.65 2za5 s VAL 31 Ca 0.78 -2.18 0.06 0.00 -1.81 0.00 0.00 61.98 58.82 2za5 s VAL 31 Cb -0.54 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.00 2za5 s VAL 31 CO 0.35 -0.35 -0.23 -0.55 -0.31 0.00 0.00 175.10 174.01 2za5 s SER 32 N -3.45 2.86 -0.08 4.85 0.15 0.59 -2.29 113.70 116.34 2za5 s SER 32 Ca 0.29 -0.48 -0.14 0.00 0.70 0.00 0.00 55.95 56.31 2za5 s SER 32 Cb 0.02 -0.83 -0.05 0.00 -1.71 0.00 0.00 66.02 63.45 2za5 s SER 32 CO 0.12 0.22 0.36 -0.76 1.20 0.00 0.00 173.24 174.37 2za5 s LEU 33 N -0.08 4.36 -0.03 3.45 1.02 0.44 -0.93 118.68 126.91 2za5 s LEU 33 Ca -0.05 0.75 0.06 0.00 0.02 0.00 0.00 54.13 54.91 2za5 s LEU 33 Cb -0.14 -2.49 -0.01 0.00 0.02 0.00 0.00 46.19 43.57 2za5 s LEU 33 CO 0.04 0.21 -0.20 -0.13 0.02 0.00 0.00 176.35 176.29 2za5 s ARG 34 N -0.32 1.77 -0.05 1.70 1.81 -0.37 -0.79 118.95 122.70 2za5 s ARG 34 Ca 0.21 -0.72 0.04 0.00 -1.72 0.00 0.00 55.73 53.54 2za5 s ARG 34 Cb -0.15 -1.64 -0.02 0.00 -0.45 0.00 0.00 34.95 32.68 2za5 s ARG 34 CO 0.09 0.39 -0.15 0.54 -0.68 0.00 0.00 175.30 175.49 2za5 s VAL 35 N -0.32 3.00 0.07 3.52 0.11 -0.09 -1.56 120.40 125.12 2za5 s VAL 35 Ca 0.04 -0.74 -0.31 0.00 -2.93 0.00 0.00 61.98 58.04 2za5 s VAL 35 Cb -0.09 -2.18 -0.07 0.00 -1.53 0.00 0.00 36.38 32.51 2za5 s VAL 35 CO 0.00 0.59 1.37 -2.28 -3.33 0.00 0.00 175.10 171.45 2za5 s HIS 36 N -0.64 3.13 0.00 1.54 2.46 -0.49 -2.09 115.29 119.21 2za5 s HIS 36 Ca 0.09 0.95 0.00 0.00 0.47 0.00 0.00 55.06 56.58 2za5 s HIS 36 Cb -0.11 -3.64 0.00 0.00 -0.13 0.00 0.00 32.58 28.70 2za5 s HIS 36 CO 0.01 -2.25 0.00 0.41 -2.47 0.00 0.00 174.74 170.44 2za5 n GLY 37 N 3.51 3.66 0.33 1.59 0.00 -1.26 -4.96 105.19 108.06 2za5 n GLY 37 Ca 0.12 -0.20 0.17 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.54 1.61 0.11 -2.04 -3.42 132.00 124.72 2za5 h PRO 38 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 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 -0.07 1.52 -0.21 0.00 0.00 178.00 179.24 2za5 s TYR 39 N -4.67 0.22 -1.15 0.65 1.13 -1.26 -5.07 117.35 107.19 2za5 s TYR 39 Ca -0.05 -0.59 -0.21 0.00 -1.41 0.00 0.00 57.07 54.82 2za5 s TYR 39 Cb 0.16 0.26 0.02 0.00 -1.10 0.00 0.00 41.96 41.29 2za5 s TYR 39 CO 0.56 -0.98 1.73 -1.58 -2.51 0.00 0.00 175.55 172.77 2za5 s TRP 40 N -3.98 2.42 0.17 -3.49 0.52 -1.26 -4.66 118.94 108.66 2za5 s TRP 40 Ca 0.18 -0.69 -0.30 0.00 0.02 0.00 0.00 56.10 55.31 2za5 s TRP 40 Cb -0.01 -4.49 -0.07 0.00 -1.15 0.00 0.00 33.47 27.74 2za5 s TRP 40 CO 0.06 -1.71 0.95 1.41 0.02 0.00 0.00 176.95 177.68 2za5 s MET 41 N 5.26 4.77 0.14 4.98 1.75 -0.89 -4.65 119.30 130.66 2za5 s MET 41 Ca 0.57 1.46 -0.31 0.00 -1.25 0.00 0.00 55.69 56.16 2za5 s MET 41 Cb 0.01 -3.33 -0.08 0.00 2.84 0.00 0.00 34.83 34.26 2za5 s MET 41 CO 0.03 0.35 1.38 -1.58 -0.65 0.00 0.00 175.02 174.56 2za5 s HIS 42 N -0.54 3.23 0.00 4.11 2.46 -1.26 -0.92 115.29 122.37 2za5 s HIS 42 Ca 0.44 0.99 0.00 0.00 0.47 0.00 0.00 55.06 56.97 2za5 s HIS 42 Cb -0.25 -3.68 0.00 0.00 -0.13 0.00 0.00 32.58 28.52 2za5 s HIS 42 CO 0.31 -2.34 0.00 1.97 -2.47 0.00 0.00 174.74 172.21 2za5 n PHE 43 N 3.63 0.00 -3.82 3.88 -1.74 0.03 -4.93 117.46 114.50 2za5 n PHE 43 Ca 0.10 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.90 2za5 n PHE 43 Cb 0.42 0.00 -0.06 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 n GLY 45 N -0.13 0.40 3.77 0.00 0.00 0.22 -0.42 105.19 109.03 2za5 n GLY 45 Ca -0.14 -1.99 0.01 0.00 0.00 0.00 0.00 46.02 43.89 2za5 n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2za5 s GLY 46 N -5.15 -0.24 -0.00 -0.02 0.00 -0.97 -3.76 107.32 97.17 2za5 s GLY 46 Ca 0.66 0.30 0.01 0.00 0.00 0.00 0.00 44.72 45.69 2za5 s GLY 46 CO 0.44 1.82 -0.02 -1.35 0.00 0.00 0.00 173.10 173.98 2za5 s SER 47 N -3.25 0.28 -0.37 1.64 1.04 -0.50 -1.22 113.70 111.32 2za5 s SER 47 Ca 0.19 -0.06 -0.29 0.00 0.48 0.00 0.00 55.95 56.26 2za5 s SER 47 Cb 0.02 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.13 2za5 s SER 47 CO -0.01 0.01 1.21 -0.22 0.98 0.00 0.00 173.24 175.21 2za5 s LEU 48 N -0.12 3.79 0.00 2.42 2.96 0.65 -0.82 118.68 127.55 2za5 s LEU 48 Ca 0.00 0.92 0.11 0.00 -0.22 0.00 0.00 54.13 54.94 2za5 s LEU 48 Cb -0.01 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.18 2za5 s LEU 48 CO -0.00 -1.11 0.76 2.30 -1.32 0.00 0.00 176.35 176.98 2za5 n ILE 49 N 6.39 0.00 -3.63 6.68 -5.35 -0.86 -0.83 119.36 121.76 2za5 n ILE 49 Ca 0.13 -0.45 -0.08 0.00 -0.27 0.00 0.00 62.75 62.09 2za5 n ILE 49 Cb 0.48 1.18 -0.07 0.00 -1.74 0.00 0.00 39.64 39.49 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 -1.16 -0.38 0.64 4.28 5.04 -1.14 -4.75 115.29 117.82 2za5 s HIS 50 Ca 0.11 0.89 0.26 0.00 -1.54 0.00 0.00 55.06 54.78 2za5 s HIS 50 Cb 0.09 0.40 1.35 0.00 0.04 0.00 0.00 32.58 34.46 2za5 s HIS 50 CO 0.20 -0.20 1.77 -1.35 -2.34 0.00 0.00 174.74 172.82 2za5 h PRO 51 N 3.80 0.00 -0.09 2.88 0.11 -1.93 0.48 132.00 137.25 2za5 h PRO 51 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2za5 h PRO 51 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2za5 h PRO 51 CO 0.14 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 178.87 2za5 n GLN 52 N -3.10 2.94 -4.25 1.05 7.27 -1.26 -1.29 117.38 118.73 2za5 n GLN 52 Ca 0.02 -1.67 -0.18 0.00 0.07 0.00 0.00 57.00 55.24 2za5 n GLN 52 Cb 0.60 -1.08 -0.15 0.00 2.41 0.00 0.00 30.24 32.01 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 -1.05 0.68 -0.12 3.69 0.52 0.17 -1.40 118.94 121.43 2za5 s TRP 53 Ca 0.07 -0.14 0.02 0.00 0.02 0.00 0.00 56.10 56.07 2za5 s TRP 53 Cb 0.04 -0.48 -0.00 0.00 -1.15 0.00 0.00 33.47 31.88 2za5 s TRP 53 CO 0.04 -0.05 -0.20 0.08 0.02 0.00 0.00 176.95 176.84 2za5 s VAL 54 N 0.09 2.33 -0.08 4.03 1.01 -0.23 -2.03 120.40 125.51 2za5 s VAL 54 Ca -0.01 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 2za5 s VAL 54 Cb -0.06 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2za5 s VAL 54 CO -0.00 0.54 0.52 -0.22 0.00 0.00 0.00 175.10 175.95 2za5 s LEU 55 N 0.55 4.33 0.00 3.92 2.96 -0.00 -0.80 118.68 129.63 2za5 s LEU 55 Ca -0.12 0.94 0.01 0.00 -0.22 0.00 0.00 54.13 54.74 2za5 s LEU 55 Cb -0.17 -2.78 -0.00 0.00 0.50 0.00 0.00 46.19 43.74 2za5 s LEU 55 CO 0.04 0.03 0.07 1.07 -1.32 0.00 0.00 176.35 176.25 2za5 n THR 56 N 3.35 0.00 -3.45 3.68 5.66 -0.46 -1.41 114.28 121.64 2za5 n THR 56 Ca -0.07 -0.45 -0.38 0.00 -3.05 0.00 0.00 64.05 60.11 2za5 n THR 56 Cb 0.51 0.24 -0.06 0.00 -1.55 0.00 0.00 70.33 69.47 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 -2.10 3.62 0.41 1.79 0.00 -1.26 -1.08 121.76 123.14 2za5 s ALA 57 Ca 0.07 -0.24 0.14 0.00 0.00 0.00 0.00 51.96 51.93 2za5 s ALA 57 Cb 0.00 -2.46 0.99 0.00 0.00 0.00 0.00 23.12 21.65 2za5 s ALA 57 CO 0.05 0.29 1.93 0.00 0.00 0.00 0.00 175.76 178.03 2za5 h ALA 58 N 5.54 2.03 0.00 0.00 0.00 -1.70 -1.85 119.26 123.28 2za5 h ALA 58 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2za5 h ALA 58 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2za5 h ALA 58 CO 0.67 -0.22 0.00 -2.39 0.00 0.00 0.00 179.25 177.32 2za5 n HIS 59 N -4.49 0.17 0.16 0.00 1.44 -1.26 -0.03 115.22 111.21 2za5 n HIS 59 Ca 0.14 0.06 0.02 0.00 -2.01 0.00 0.00 57.72 55.93 2za5 n HIS 59 Cb 0.47 -0.60 0.21 0.00 0.12 0.00 0.00 29.99 30.19 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 -3.58 0.00 -4.13 0.00 0.24 -0.73 -5.02 118.33 105.11 2za5 n VAL 61 Ca -0.00 -0.28 -0.10 0.00 -2.04 0.00 0.00 64.34 61.91 2za5 n VAL 61 Cb 0.60 1.35 -0.04 0.00 -1.47 0.00 0.00 33.84 34.28 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 0.12 3.34 0.07 7.63 0.00 0.95 -4.54 105.19 112.76 2za5 n GLY 62 Ca 0.00 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.39 2za5 n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2za5 n PRO 63 N -0.35 0.21 -2.34 1.61 -0.04 -1.26 -4.54 135.00 128.29 2za5 n PRO 63 Ca 0.04 0.14 -0.41 0.00 -0.04 0.00 0.00 63.50 63.24 2za5 n PRO 63 Cb 0.33 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.04 2za5 n PRO 63 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2za5 s ASP 64 N -4.14 7.08 -0.04 3.54 1.11 -1.26 -4.98 116.67 117.97 2za5 s ASP 64 Ca 0.10 2.39 -0.30 0.00 0.18 0.00 0.00 52.55 54.92 2za5 s ASP 64 Cb 0.14 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.46 2za5 s ASP 64 CO 0.62 -0.31 1.23 -0.69 1.18 0.00 0.00 175.17 177.20 2za5 s VAL 65 N -0.91 4.15 0.41 -1.27 1.01 -1.26 -4.97 120.40 117.56 2za5 s VAL 65 Ca 0.48 1.49 0.07 0.00 0.00 0.00 0.00 61.98 64.02 2za5 s VAL 65 Cb -0.35 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 2za5 s VAL 65 CO 0.44 0.01 0.13 -0.54 0.00 0.00 0.00 175.10 175.13 2za5 s LYS 66 N 2.17 2.16 -0.08 2.72 1.02 -1.26 -5.09 119.74 121.38 2za5 s LYS 66 Ca 0.57 -1.90 -0.30 0.00 0.02 0.00 0.00 55.97 54.37 2za5 s LYS 66 Cb -0.26 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 2za5 s LYS 66 CO 0.23 -0.08 1.51 0.34 -0.92 0.00 0.00 175.35 176.43 2za5 s ASP 67 N -3.85 6.77 0.54 2.83 -1.08 -1.26 -4.92 116.67 115.70 2za5 s ASP 67 Ca 0.39 2.07 0.28 0.00 -0.52 0.00 0.00 52.55 54.78 2za5 s ASP 67 Cb 0.05 -2.54 1.45 0.00 -1.46 0.00 0.00 42.92 40.42 2za5 s ASP 67 CO 0.21 -0.85 1.94 -0.07 0.52 0.00 0.00 175.17 176.92 2za5 h LEU 68 N 9.80 0.00 -0.07 -1.34 3.38 -1.95 -1.59 115.31 123.54 2za5 h LEU 68 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2za5 h LEU 68 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2za5 h LEU 68 CO 0.95 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.48 2za5 n ALA 69 N -2.61 2.20 1.26 1.53 0.00 -1.26 -2.52 120.51 119.11 2za5 n ALA 69 Ca 0.13 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.64 2za5 n ALA 69 Cb 0.75 -1.45 0.40 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.68 2.53 -2.50 0.00 0.00 -0.60 -4.89 120.51 113.37 2za5 n ALA 70 Ca 0.06 -0.52 -0.25 0.00 0.00 0.00 0.00 53.44 52.73 2za5 n ALA 70 Cb 0.37 -1.10 -0.14 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.66 2.21 0.05 0.00 2.96 -1.05 -1.39 118.68 119.80 2za5 s LEU 71 Ca 0.34 -0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 53.61 2za5 s LEU 71 Cb 0.18 -0.95 -0.01 0.00 0.50 0.00 0.00 46.19 45.91 2za5 s LEU 71 CO 0.28 0.13 0.10 -0.13 -1.32 0.00 0.00 176.35 175.40 2za5 s ARG 72 N -1.42 0.63 -0.11 1.98 1.81 -0.60 -4.52 118.95 116.71 2za5 s ARG 72 Ca 0.07 -0.83 0.00 0.00 -1.72 0.00 0.00 55.73 53.25 2za5 s ARG 72 Cb -0.09 0.24 -0.02 0.00 -0.45 0.00 0.00 34.95 34.63 2za5 s ARG 72 CO 0.03 -0.16 -0.12 0.08 -0.68 0.00 0.00 175.30 174.45 2za5 s VAL 73 N -2.92 3.18 -0.19 3.52 1.01 -0.09 -1.24 120.40 123.67 2za5 s VAL 73 Ca -0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 2za5 s VAL 73 Cb 0.01 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 2za5 s VAL 73 CO -0.06 0.54 -0.02 -1.58 0.00 0.00 0.00 175.10 173.98 2za5 s GLN 74 N 0.09 3.61 0.92 2.72 2.00 -0.11 -0.14 119.66 128.76 2za5 s GLN 74 Ca -0.05 -0.53 -0.14 0.00 -2.00 0.00 0.00 55.36 52.63 2za5 s GLN 74 Cb -0.15 -3.02 0.16 0.00 0.80 0.00 0.00 33.01 30.80 2za5 s GLN 74 CO 0.04 0.06 1.24 -0.51 -0.50 0.00 0.00 175.29 175.63 2za5 s LEU 75 N 0.85 2.43 0.03 3.68 1.43 -1.26 -0.30 118.68 125.54 2za5 s LEU 75 Ca 0.00 0.54 -0.35 0.00 -1.03 0.00 0.00 54.13 53.29 2za5 s LEU 75 Cb -0.14 -2.74 -0.18 0.00 0.03 0.00 0.00 46.19 43.15 2za5 s LEU 75 CO 0.02 -2.53 0.92 -1.14 0.23 0.00 0.00 176.35 173.85 2za5 n ARG 76 N -3.68 0.00 -3.69 1.70 3.00 -0.91 -4.75 116.66 108.33 2za5 n ARG 76 Ca 0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.86 2za5 n ARG 76 Cb 0.60 -1.32 -0.10 0.00 0.00 0.00 0.00 32.46 31.64 2za5 n ARG 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2za5 s GLU 77 N -0.14 0.48 0.13 -0.14 2.12 -1.26 -5.01 118.70 114.88 2za5 s GLU 77 Ca 0.81 0.84 -0.12 0.00 0.36 0.00 0.00 54.97 56.86 2za5 s GLU 77 Cb -1.13 0.06 -0.06 0.00 0.26 0.00 0.00 34.13 33.26 2za5 s GLU 77 CO 0.53 -0.14 1.45 0.37 -0.54 0.00 0.00 175.26 176.93 2za5 h GLN 78 N 6.76 0.88 -4.53 4.30 5.75 -1.94 -3.43 115.11 122.90 2za5 h GLN 78 Ca -0.34 -0.47 -0.56 0.00 -0.15 0.00 0.00 58.65 57.13 2za5 h GLN 78 Cb 1.19 0.02 -0.35 0.00 1.07 0.00 0.00 27.48 29.41 2za5 h GLN 78 CO 0.25 1.12 -0.82 -1.01 -2.65 0.00 0.00 178.83 175.72 2za5 s HIS 79 N -4.35 1.75 0.25 3.99 3.76 -1.26 -1.75 115.29 117.68 2za5 s HIS 79 Ca -0.11 -0.84 -0.29 0.00 -0.15 0.00 0.00 55.06 53.67 2za5 s HIS 79 Cb 0.10 -1.33 -0.15 0.00 1.11 0.00 0.00 32.58 32.32 2za5 s HIS 79 CO 0.87 -0.48 0.91 1.28 -0.85 0.00 0.00 174.74 176.47 2za5 n LEU 80 N 4.46 1.01 0.00 0.89 4.77 -0.91 -2.80 117.00 124.42 2za5 n LEU 80 Ca -0.17 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.97 2za5 n LEU 80 Cb 0.51 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 2za5 n LEU 80 CO 0.21 -1.78 0.00 -1.22 -1.33 0.00 0.00 177.39 173.28 2za5 n TYR 81 N 0.33 0.00 0.21 -1.77 4.01 -1.26 -4.83 117.16 113.86 2za5 n TYR 81 Ca 0.12 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.71 2za5 n TYR 81 Cb 0.29 -0.06 -0.08 0.00 -0.31 0.00 0.00 39.34 39.18 2za5 n TYR 81 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 2za5 h TYR 82 N 0.00 -0.47 -1.66 -0.72 3.20 -1.89 -3.33 116.97 112.10 2za5 h TYR 82 Ca 0.00 -0.01 -0.52 0.00 3.14 0.00 0.00 58.73 61.34 2za5 h TYR 82 Cb 0.00 0.16 -0.41 0.00 1.54 0.00 0.00 36.73 38.01 2za5 h TYR 82 CO 0.00 -0.22 -0.89 0.94 -1.64 0.00 0.00 178.16 176.35 2za5 n GLN 83 N -5.26 2.48 -1.71 1.82 -0.06 -1.26 -5.09 117.38 108.30 2za5 n GLN 83 Ca -0.11 -4.13 -0.42 0.00 -2.00 0.00 0.00 57.00 50.34 2za5 n GLN 83 Cb 0.25 -1.93 -0.00 0.00 -4.06 0.00 0.00 30.24 24.50 2za5 n GLN 83 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2za5 n ASP 84 N -0.21 2.91 -3.44 1.69 9.92 -1.25 -4.99 116.55 121.18 2za5 n ASP 84 Ca 0.28 1.19 -0.28 0.00 -0.53 0.00 0.00 54.79 55.45 2za5 n ASP 84 Cb 0.63 -1.51 -0.11 0.00 -0.64 0.00 0.00 41.12 39.49 2za5 n ASP 84 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2za5 s GLN 85 N -1.99 0.62 0.16 -1.24 -0.21 -1.26 -5.14 119.66 110.60 2za5 s GLN 85 Ca 0.56 -1.45 -0.27 0.00 0.02 0.00 0.00 55.36 54.22 2za5 s GLN 85 Cb -0.54 -1.28 -0.08 0.00 1.00 0.00 0.00 33.01 32.12 2za5 s GLN 85 CO 0.62 -1.24 0.83 -0.51 -2.12 0.00 0.00 175.29 172.86 2za5 s LEU 86 N 0.90 4.58 -0.18 2.90 1.43 -1.26 -4.56 118.68 122.48 2za5 s LEU 86 Ca 0.21 1.71 -0.02 0.00 -1.03 0.00 0.00 54.13 55.00 2za5 s LEU 86 Cb -0.17 -3.39 -0.01 0.00 0.03 0.00 0.00 46.19 42.65 2za5 s LEU 86 CO -0.03 0.14 -0.09 -0.76 0.23 0.00 0.00 176.35 175.83 2za5 s LEU 87 N -0.87 2.75 0.62 1.79 1.43 0.80 -4.90 118.68 120.30 2za5 s LEU 87 Ca 0.39 -0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 52.93 2za5 s LEU 87 Cb -0.23 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 2za5 s LEU 87 CO 0.28 0.06 1.14 -2.16 0.23 0.00 0.00 176.35 175.89 2za5 s PRO 88 N 0.98 2.92 -0.07 1.29 0.04 -1.26 -0.91 135.00 137.98 2za5 s PRO 88 Ca -0.01 1.55 0.03 0.00 0.04 0.00 0.00 61.00 62.60 2za5 s PRO 88 Cb -0.15 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 2za5 s PRO 88 CO -0.01 -1.19 -0.14 0.08 0.04 0.00 0.00 177.00 175.79 2za5 s VAL 89 N -2.04 3.06 -0.10 -0.36 1.01 -1.26 -2.14 120.40 118.57 2za5 s VAL 89 Ca 0.71 -0.70 0.13 0.00 0.00 0.00 0.00 61.98 62.11 2za5 s VAL 89 Cb -0.24 -2.22 -0.24 0.00 0.00 0.00 0.00 36.38 33.68 2za5 s VAL 89 CO 0.36 0.57 0.45 -1.54 0.00 0.00 0.00 175.10 174.95 2za5 n SER 90 N 2.66 0.72 -3.57 3.32 3.41 0.14 -4.74 113.62 115.56 2za5 n SER 90 Ca -0.17 0.27 -0.17 0.00 -0.26 0.00 0.00 58.87 58.54 2za5 n SER 90 Cb 0.52 0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 64.60 2za5 n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2za5 s ARG 91 N -2.56 0.99 -0.19 4.33 1.70 -1.18 -5.02 118.95 117.03 2za5 s ARG 91 Ca -0.08 0.11 -0.02 0.00 -0.47 0.00 0.00 55.73 55.27 2za5 s ARG 91 Cb 0.07 0.46 -0.01 0.00 -0.57 0.00 0.00 34.95 34.91 2za5 s ARG 91 CO 0.82 -0.31 -0.09 0.42 -1.08 0.00 0.00 175.30 175.06 2za5 s ILE 92 N -1.40 3.09 -0.28 4.99 1.01 -1.26 -1.46 121.20 125.88 2za5 s ILE 92 Ca -0.11 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 59.95 2za5 s ILE 92 Cb -0.01 -2.37 0.05 0.00 0.01 0.00 0.00 42.46 40.14 2za5 s ILE 92 CO 0.07 0.47 -0.05 -0.63 0.00 0.00 0.00 174.94 174.80 2za5 s ILE 93 N 1.17 2.64 -0.13 2.92 1.01 0.10 -4.99 121.20 123.91 2za5 s ILE 93 Ca 0.02 -1.48 -0.05 0.00 0.00 0.00 0.00 60.65 59.14 2za5 s ILE 93 Cb -0.14 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 2za5 s ILE 93 CO -0.03 -0.06 0.04 -0.69 0.00 0.00 0.00 174.94 174.20 2za5 s VAL 94 N 1.19 4.63 0.10 2.92 1.01 -1.26 0.21 120.40 129.20 2za5 s VAL 94 Ca -0.07 -0.11 -0.35 0.00 0.00 0.00 0.00 61.98 61.46 2za5 s VAL 94 Cb -0.20 -3.02 -0.14 0.00 0.00 0.00 0.00 36.38 33.02 2za5 s VAL 94 CO -0.03 0.55 1.58 1.57 0.00 0.00 0.00 175.10 178.77 2za5 n HIS 95 N 2.75 2.15 0.31 5.22 -0.00 -1.06 -4.84 115.22 119.75 2za5 n HIS 95 Ca -0.18 0.30 0.19 0.00 0.46 0.00 0.00 57.72 58.49 2za5 n HIS 95 Cb 0.53 -2.52 1.06 0.00 -0.12 0.00 0.00 29.99 28.94 2za5 n HIS 95 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2za5 h PRO 96 N 6.19 0.00 -0.00 1.57 0.13 -1.93 -1.26 132.00 136.71 2za5 h PRO 96 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2za5 h PRO 96 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2za5 h PRO 96 CO 0.88 0.00 -0.05 1.04 -0.23 0.00 0.00 178.00 179.64 2za5 n GLN 97 N -3.36 0.22 -3.01 0.86 1.13 -1.26 -4.89 117.38 107.07 2za5 n GLN 97 Ca -0.02 -0.02 -0.40 0.00 -1.94 0.00 0.00 57.00 54.62 2za5 n GLN 97 Cb 0.13 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 28.93 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 -2.79 3.70 0.00 1.08 5.36 -0.48 -4.81 117.98 120.04 2za5 s PHE 98 Ca 0.21 1.41 0.00 0.00 -0.96 0.00 0.00 56.93 57.59 2za5 s PHE 98 Cb 0.19 -2.80 0.00 0.00 -0.34 0.00 0.00 43.02 40.07 2za5 s PHE 98 CO 0.51 0.24 0.00 2.48 -1.46 0.00 0.00 175.22 177.00 2za5 n TYR 99 N 2.98 0.00 -3.85 10.12 0.18 -1.26 -4.86 117.16 120.47 2za5 n TYR 99 Ca -0.03 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.64 2za5 n TYR 99 Cb 0.50 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.37 2za5 n TYR 99 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2za5 s THR 100 N 0.00 0.08 0.40 -3.48 -4.23 -1.26 -4.66 115.64 102.49 2za5 s THR 100 Ca 0.00 -0.64 0.16 0.00 -1.18 0.00 0.00 61.69 60.03 2za5 s THR 100 Cb 0.00 -0.45 0.16 0.00 1.34 0.00 0.00 72.50 73.55 2za5 s THR 100 CO 0.00 -0.35 1.93 0.00 -0.54 0.00 0.00 174.62 175.66 2za5 h ALA 101 N 4.28 1.48 0.00 3.99 0.00 -1.95 -1.69 119.26 125.37 2za5 h ALA 101 Ca -0.30 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 2za5 h ALA 101 Cb 1.19 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2za5 h ALA 101 CO 0.40 0.32 -0.63 1.96 0.00 0.00 0.00 179.25 181.31 2za5 h GLN 102 N 0.00 0.00 0.00 0.00 7.50 -1.96 -2.90 115.11 117.74 2za5 h GLN 102 Ca -0.00 0.00 -0.20 0.00 0.50 0.00 0.00 58.65 58.95 2za5 h GLN 102 Cb 0.48 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.98 2za5 h GLN 102 CO 0.03 0.63 -0.94 0.82 -1.50 0.00 0.00 178.83 177.87 2za5 h ILE 103 N 0.00 1.64 0.00 2.54 2.04 -1.79 -3.48 117.51 118.46 2za5 h ILE 103 Ca -0.01 -3.26 0.00 0.00 1.00 0.00 0.00 64.86 62.59 2za5 h ILE 103 Cb 1.14 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.99 2za5 h ILE 103 CO 0.08 0.92 0.00 0.61 0.00 0.00 0.00 178.15 179.76 2za5 n GLY 104 N 1.27 -0.50 4.01 5.37 0.00 -0.70 -5.01 105.19 109.65 2za5 n GLY 104 Ca 0.00 -2.18 -0.32 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.58 -1.30 -2.74 4.61 0.00 -1.26 -4.45 120.51 114.78 2za5 n ALA 105 Ca 0.00 0.12 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 2za5 n ALA 105 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 19.45 15.36 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 -2.78 5.15 -3.66 0.00 2.03 -1.26 -4.29 116.55 111.73 2za5 n ASP 106 Ca 0.04 -3.01 -0.12 0.00 0.52 0.00 0.00 54.79 52.23 2za5 n ASP 106 Cb 0.52 -1.56 -0.08 0.00 -0.72 0.00 0.00 41.12 39.28 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 1.43 -0.00 0.14 5.18 2.07 -1.26 -3.75 121.20 125.00 2za5 s ILE 107 Ca 0.43 0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 59.62 2za5 s ILE 107 Cb 0.01 -0.87 -0.02 0.00 0.13 0.00 0.00 42.46 41.71 2za5 s ILE 107 CO 0.01 0.00 0.17 0.00 -1.91 0.00 0.00 174.94 173.21 2za5 s ALA 108 N 0.77 0.36 -0.02 1.50 0.00 -0.24 -2.55 121.76 121.58 2za5 s ALA 108 Ca -0.04 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 50.84 2za5 s ALA 108 Cb -0.05 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 2za5 s ALA 108 CO -0.06 -0.56 -0.14 -0.51 0.00 0.00 0.00 175.76 174.49 2za5 s LEU 109 N -2.99 1.97 -0.14 0.00 1.43 0.13 -1.36 118.68 117.72 2za5 s LEU 109 Ca 0.19 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2za5 s LEU 109 Cb 0.05 -0.76 -0.00 0.00 0.03 0.00 0.00 46.19 45.51 2za5 s LEU 109 CO -0.00 0.16 -0.17 -0.76 0.23 0.00 0.00 176.35 175.80 2za5 s LEU 110 N -0.18 2.39 -0.25 1.79 1.43 0.02 -0.73 118.68 123.16 2za5 s LEU 110 Ca 0.02 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.47 2za5 s LEU 110 Cb -0.07 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 2za5 s LEU 110 CO 0.00 0.11 0.46 -0.70 0.23 0.00 0.00 176.35 176.46 2za5 s GLU 111 N 0.65 4.08 0.54 1.70 2.12 -0.54 -1.07 118.70 126.19 2za5 s GLU 111 Ca -0.09 0.24 -0.19 0.00 0.36 0.00 0.00 54.97 55.30 2za5 s GLU 111 Cb -0.16 -3.63 -0.06 0.00 0.26 0.00 0.00 34.13 30.55 2za5 s GLU 111 CO 0.02 -0.27 1.08 -0.51 -0.54 0.00 0.00 175.26 175.05 2za5 s LEU 112 N 2.03 3.70 0.41 2.70 1.43 -0.49 0.27 118.68 128.72 2za5 s LEU 112 Ca 0.20 2.00 0.07 0.00 -1.03 0.00 0.00 54.13 55.37 2za5 s LEU 112 Cb -0.16 -4.56 0.85 0.00 0.03 0.00 0.00 46.19 42.36 2za5 s LEU 112 CO 0.09 -1.10 2.05 -0.33 0.23 0.00 0.00 176.35 177.30 2za5 h GLU 113 N 1.05 0.55 -5.04 1.70 5.08 -1.72 -3.40 114.58 112.80 2za5 h GLU 113 Ca -0.49 -0.03 -0.33 0.00 -1.00 0.00 0.00 59.36 57.51 2za5 h GLU 113 Cb 1.24 -0.12 -0.17 0.00 0.50 0.00 0.00 28.75 30.19 2za5 h GLU 113 CO 0.57 0.36 -0.73 -1.21 -1.00 0.00 0.00 179.01 177.01 2za5 s GLU 114 N -5.50 0.90 0.70 2.33 0.41 -1.26 -4.96 118.70 111.32 2za5 s GLU 114 Ca -0.08 -1.22 -0.14 0.00 -0.41 0.00 0.00 54.97 53.12 2za5 s GLU 114 Cb 0.18 -0.59 0.02 0.00 -1.78 0.00 0.00 34.13 31.96 2za5 s GLU 114 CO 0.73 0.09 1.12 -1.25 -0.49 0.00 0.00 175.26 175.47 2za5 s PRO 115 N -2.94 2.52 0.20 0.39 0.04 -1.26 -4.74 135.00 129.20 2za5 s PRO 115 Ca 0.08 1.42 -0.06 0.00 0.04 0.00 0.00 61.00 62.47 2za5 s PRO 115 Cb -0.02 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 2za5 s PRO 115 CO 0.00 -1.48 0.46 0.14 0.04 0.00 0.00 177.00 176.17 2za5 s VAL 116 N -2.39 5.06 -1.18 -0.36 -7.23 -0.41 -4.96 120.40 108.92 2za5 s VAL 116 Ca 0.67 0.19 -0.20 0.00 -1.81 0.00 0.00 61.98 60.83 2za5 s VAL 116 Cb -0.21 -3.64 0.07 0.00 0.56 0.00 0.00 36.38 33.15 2za5 s VAL 116 CO 0.45 -0.06 1.61 -0.75 -0.31 0.00 0.00 175.10 176.05 2za5 s LYS 117 N -2.85 3.83 0.18 4.82 2.20 -1.26 -4.93 119.74 121.73 2za5 s LYS 117 Ca 0.44 -1.67 -0.30 0.00 -0.36 0.00 0.00 55.97 54.08 2za5 s LYS 117 Cb -0.12 -5.45 -0.17 0.00 -1.51 0.00 0.00 37.83 30.59 2za5 s LYS 117 CO 0.24 -2.22 0.65 1.55 -0.36 0.00 0.00 175.35 175.21 2za5 n VAL 118 N 6.53 1.71 -2.68 4.02 3.14 -1.26 -4.98 118.33 124.81 2za5 n VAL 118 Ca 0.42 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2za5 n VAL 118 Cb 0.48 -0.11 0.00 0.00 -1.06 0.00 0.00 33.84 33.15 2za5 n VAL 118 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2za5 n SER 119 N 1.87 1.00 -0.03 6.55 2.88 0.79 -5.01 113.62 121.68 2za5 n SER 119 Ca 0.17 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.74 2za5 n SER 119 Cb 0.23 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.67 2za5 n SER 119 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2za5 n SER 120 N 0.00 0.39 0.02 -3.46 2.88 -1.26 -4.36 113.62 107.83 2za5 n SER 120 Ca 0.00 -0.70 0.11 0.00 -1.33 0.00 0.00 58.87 56.96 2za5 n SER 120 Cb 0.00 0.86 0.01 0.00 -0.75 0.00 0.00 64.21 64.33 2za5 n SER 120 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2za5 n HIS 121 N -0.91 0.19 -3.67 0.66 -0.00 -1.26 -4.85 115.22 105.38 2za5 n HIS 121 Ca 0.01 0.05 -0.21 0.00 -0.00 0.00 0.00 57.72 57.58 2za5 n HIS 121 Cb 0.08 -0.36 -0.18 0.00 -0.00 0.00 0.00 29.99 29.53 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 -3.17 -0.08 0.24 1.59 1.01 -1.26 -4.58 120.40 114.14 2za5 s VAL 122 Ca 0.04 0.33 -0.21 0.00 0.00 0.00 0.00 61.98 62.14 2za5 s VAL 122 Cb 0.15 -0.23 0.06 0.00 0.00 0.00 0.00 36.38 36.36 2za5 s VAL 122 CO 0.81 0.11 0.92 -1.38 0.00 0.00 0.00 175.10 175.57 2za5 s HIS 123 N 2.16 0.00 0.55 5.22 -0.00 -1.18 -0.15 115.29 121.89 2za5 s HIS 123 Ca 0.05 -0.45 -0.15 0.00 -0.00 0.00 0.00 55.06 54.50 2za5 s HIS 123 Cb -0.13 0.72 -0.06 0.00 -0.00 0.00 0.00 32.58 33.11 2za5 s HIS 123 CO -0.04 -1.09 1.01 0.95 -0.00 0.00 0.00 174.74 175.57 2za5 s THR 124 N -2.69 4.46 0.21 -5.38 -4.23 -1.26 -3.00 115.64 103.76 2za5 s THR 124 Ca 0.17 1.08 -0.03 0.00 -1.18 0.00 0.00 61.69 61.73 2za5 s THR 124 Cb -0.03 -3.70 -0.05 0.00 1.34 0.00 0.00 72.50 70.06 2za5 s THR 124 CO 0.06 -0.77 0.43 0.54 -0.54 0.00 0.00 174.62 174.33 2za5 s VAL 125 N -2.74 5.15 -0.06 2.29 0.11 -0.01 -4.86 120.40 120.29 2za5 s VAL 125 Ca 0.59 -0.18 -0.22 0.00 -2.93 0.00 0.00 61.98 59.23 2za5 s VAL 125 Cb -0.11 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 30.99 2za5 s VAL 125 CO 0.38 -0.16 0.66 -0.89 -3.33 0.00 0.00 175.10 171.76 2za5 s THR 126 N -1.88 5.02 0.42 5.04 2.01 -1.25 -4.67 115.64 120.34 2za5 s THR 126 Ca 0.40 1.37 -0.23 0.00 0.31 0.00 0.00 61.69 63.54 2za5 s THR 126 Cb -0.11 -4.00 -0.09 0.00 0.01 0.00 0.00 72.50 68.31 2za5 s THR 126 CO 0.28 0.29 1.03 -0.76 -0.69 0.00 0.00 174.62 174.78 2za5 s LEU 127 N 0.57 4.06 0.58 4.42 1.43 -1.26 -1.79 118.68 126.69 2za5 s LEU 127 Ca 0.35 1.97 -0.16 0.00 -1.03 0.00 0.00 54.13 55.27 2za5 s LEU 127 Cb -0.18 -4.30 -0.04 0.00 0.03 0.00 0.00 46.19 41.70 2za5 s LEU 127 CO 0.17 -0.54 1.05 -2.16 0.23 0.00 0.00 176.35 175.11 2za5 s PRO 128 N -2.71 3.40 0.47 1.29 0.04 -1.26 -4.87 135.00 131.35 2za5 s PRO 128 Ca 0.60 1.18 -0.23 0.00 0.04 0.00 0.00 61.00 62.59 2za5 s PRO 128 Cb -0.19 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.23 2za5 s PRO 128 CO 0.24 -0.74 1.18 -1.25 0.04 0.00 0.00 177.00 176.47 2za5 s PRO 129 N -4.07 3.69 0.56 0.56 0.04 -1.26 -4.88 135.00 129.64 2za5 s PRO 129 Ca 0.63 1.81 0.33 0.00 0.04 0.00 0.00 61.00 63.81 2za5 s PRO 129 Cb -0.15 -2.38 1.46 0.00 0.04 0.00 0.00 34.50 33.47 2za5 s PRO 129 CO 0.36 -0.62 1.78 0.00 0.04 0.00 0.00 177.00 178.56 2za5 h ALA 130 N 1.97 2.83 -0.00 8.56 0.00 -1.96 -0.30 119.26 130.35 2za5 h ALA 130 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2za5 h ALA 130 Cb 1.25 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2za5 h ALA 130 CO 0.60 -1.27 -0.05 -1.13 0.00 0.00 0.00 179.25 177.40 2za5 n SER 131 N -3.95 0.10 -4.69 0.00 3.41 -1.26 -4.87 113.62 102.35 2za5 n SER 131 Ca 0.20 0.08 -0.42 0.00 -0.26 0.00 0.00 58.87 58.47 2za5 n SER 131 Cb 1.10 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.71 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 -2.78 4.44 -0.01 4.33 2.56 -0.13 -4.92 118.70 122.19 2za5 s GLU 132 Ca 0.21 1.50 0.16 0.00 0.00 0.00 0.00 54.97 56.84 2za5 s GLU 132 Cb 0.19 -3.51 -0.22 0.00 2.00 0.00 0.00 34.13 32.60 2za5 s GLU 132 CO 0.51 -0.28 0.51 2.41 -0.56 0.00 0.00 175.26 177.85 2za5 n THR 133 N 4.36 0.00 -3.60 -1.70 -1.04 -1.26 -4.91 114.28 106.13 2za5 n THR 133 Ca 0.09 -0.26 -0.19 0.00 -2.04 0.00 0.00 64.05 61.65 2za5 n THR 133 Cb 0.48 0.53 0.00 0.00 -1.82 0.00 0.00 70.33 69.53 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 -1.75 -2.29 -1.64 -1.42 3.72 -1.26 -4.94 117.46 107.88 2za5 n PHE 134 Ca -0.00 0.92 -0.32 0.00 -0.05 0.00 0.00 57.45 57.99 2za5 n PHE 134 Cb 0.35 -3.09 0.06 0.00 -0.94 0.00 0.00 39.48 35.85 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 -4.42 2.72 0.63 -1.08 0.04 -1.26 -4.93 135.00 126.70 2za5 s PRO 135 Ca 0.01 1.27 -0.17 0.00 0.04 0.00 0.00 61.00 62.15 2za5 s PRO 135 Cb -0.00 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 2za5 s PRO 135 CO 0.86 -1.30 0.29 -2.30 0.04 0.00 0.00 177.00 174.59 2za5 n PRO 136 N -2.73 0.29 0.00 0.56 -0.02 -1.26 -2.46 135.00 129.37 2za5 n PRO 136 Ca 0.10 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2za5 n PRO 136 Cb 0.52 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 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 2.02 3.22 3.74 -1.23 0.00 -1.26 -5.01 105.19 106.67 2za5 n GLY 137 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.52 4.29 -0.37 1.61 0.00 -1.03 -4.95 119.30 118.33 2za5 s MET 138 Ca 0.00 2.25 -0.29 0.00 0.00 0.00 0.00 55.69 57.66 2za5 s MET 138 Cb 0.00 -3.13 -0.00 0.00 0.00 0.00 0.00 34.83 31.69 2za5 s MET 138 CO 0.00 -0.41 1.57 -1.25 0.00 0.00 0.00 175.02 174.93 2za5 s PRO 139 N -0.13 3.49 0.04 4.11 0.04 -1.26 -4.54 135.00 136.75 2za5 s PRO 139 Ca 0.60 1.16 0.04 0.00 0.04 0.00 0.00 61.00 62.83 2za5 s PRO 139 Cb -0.41 -4.09 -0.02 0.00 0.04 0.00 0.00 34.50 30.02 2za5 s PRO 139 CO 0.41 -1.66 -0.11 0.00 0.04 0.00 0.00 177.00 175.67 2za5 s TRP 141 N -0.99 1.20 0.08 0.00 0.52 0.36 -1.43 118.94 118.69 2za5 s TRP 141 Ca -0.02 -0.26 0.07 0.00 0.02 0.00 0.00 56.10 55.91 2za5 s TRP 141 Cb -0.08 -0.79 -0.04 0.00 -1.15 0.00 0.00 33.47 31.41 2za5 s TRP 141 CO 0.01 -0.05 -0.13 0.54 0.02 0.00 0.00 176.95 177.33 2za5 s VAL 142 N -0.17 3.16 0.06 4.03 0.11 -0.40 -0.58 120.40 126.61 2za5 s VAL 142 Ca 0.02 -1.24 0.01 0.00 -2.93 0.00 0.00 61.98 57.84 2za5 s VAL 142 Cb -0.07 -2.43 -0.03 0.00 -1.53 0.00 0.00 36.38 32.32 2za5 s VAL 142 CO -0.00 0.19 -0.06 0.42 -3.33 0.00 0.00 175.10 172.32 2za5 s THR 143 N -1.11 0.48 -3.30 5.04 -4.23 -1.22 -1.36 115.64 109.95 2za5 s THR 143 Ca 0.19 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 2za5 s THR 143 Cb -0.11 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.74 2za5 s THR 143 CO 0.10 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 2za5 n GLY 144 N 0.87 -2.26 0.98 3.99 0.00 -0.69 -4.48 105.19 103.60 2za5 n GLY 144 Ca -0.19 -1.21 -0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.25 0.83 -1.75 1.61 8.01 -1.26 -1.47 117.44 123.15 2za5 n TRP 145 Ca 0.00 -1.48 -0.28 0.00 -1.31 0.00 0.00 57.50 54.43 2za5 n TRP 145 Cb 0.00 -0.41 0.20 0.00 -2.01 0.00 0.00 31.31 29.08 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 -1.08 -1.66 3.51 6.99 0.00 -1.25 -4.74 105.19 106.96 2za5 n GLY 146 Ca 0.29 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.94 -0.55 -0.41 1.61 8.00 0.42 -2.88 116.55 118.79 2za5 n ASP 147 Ca 0.15 0.71 0.12 0.00 0.71 0.00 0.00 54.79 56.49 2za5 n ASP 147 Cb 0.54 -1.25 0.15 0.00 -0.02 0.00 0.00 41.12 40.55 2za5 n ASP 147 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2za5 n VAL 148 N -1.92 0.00 -3.73 2.53 0.24 -0.03 -0.66 118.33 114.75 2za5 n VAL 148 Ca 0.12 -0.22 -0.01 0.00 -2.04 0.00 0.00 64.34 62.19 2za5 n VAL 148 Cb 0.48 0.92 -0.01 0.00 -1.47 0.00 0.00 33.84 33.77 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 -2.46 -0.11 -0.01 -1.34 -1.08 -1.23 -4.32 116.67 106.11 2za5 s ASP 149 Ca 0.21 -0.34 -0.35 0.00 -0.52 0.00 0.00 52.55 51.55 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 0.54 -0.69 1.68 0.59 0.52 0.00 0.00 175.17 177.81 2za5 n ASN 150 N -0.58 2.88 -1.50 -0.34 4.13 -1.26 -1.48 115.26 117.11 2za5 n ASN 150 Ca -0.06 1.05 -0.17 0.00 1.68 0.00 0.00 54.58 57.07 2za5 n ASN 150 Cb 0.61 -1.32 -0.06 0.00 -1.54 0.00 0.00 39.78 37.47 2za5 n ASN 150 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2za5 n ASP 151 N 4.79 -5.07 -3.93 6.41 2.03 -1.26 -4.95 116.55 114.56 2za5 n ASP 151 Ca 0.21 0.30 -0.30 0.00 0.52 0.00 0.00 54.79 55.52 2za5 n ASP 151 Cb 0.25 -4.11 -0.16 0.00 -0.72 0.00 0.00 41.12 36.38 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 -3.86 1.58 0.42 -0.67 2.12 -0.55 -5.09 118.70 112.65 2za5 s GLU 152 Ca 0.00 -0.94 -0.24 0.00 0.36 0.00 0.00 54.97 54.14 2za5 s GLU 152 Cb 0.00 -2.55 -0.08 0.00 0.26 0.00 0.00 34.13 31.76 2za5 s GLU 152 CO 0.00 -0.59 1.16 1.03 -0.54 0.00 0.00 175.26 176.32 2za5 s ARG 153 N 1.43 3.94 0.08 4.30 1.81 -1.26 -0.85 118.95 128.40 2za5 s ARG 153 Ca -0.05 1.79 -0.32 0.00 -1.72 0.00 0.00 55.73 55.43 2za5 s ARG 153 Cb -0.19 -2.56 -0.11 0.00 -0.45 0.00 0.00 34.95 31.65 2za5 s ARG 153 CO -0.06 -0.40 1.85 -0.11 -0.68 0.00 0.00 175.30 175.89 2za5 n LEU 154 N -0.16 3.91 -4.83 2.53 7.94 -1.26 -4.51 117.00 120.61 2za5 n LEU 154 Ca 0.06 0.98 -0.32 0.00 -1.11 0.00 0.00 56.01 55.62 2za5 n LEU 154 Cb 0.47 -1.51 0.01 0.00 0.53 0.00 0.00 43.42 42.93 2za5 n LEU 154 CO 0.49 0.11 0.71 -2.84 -1.11 0.00 0.00 177.39 174.75 2za5 s PRO 155 N 3.10 3.44 0.60 1.96 0.02 -1.26 -4.82 135.00 138.03 2za5 s PRO 155 Ca 0.85 0.95 -0.19 0.00 0.02 0.00 0.00 61.00 62.62 2za5 s PRO 155 Cb -0.52 -2.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.92 2za5 s PRO 155 CO 0.40 -0.70 1.30 -2.14 -0.33 0.00 0.00 177.00 175.53 2za5 s PRO 156 N -4.65 2.84 -0.10 5.54 0.02 -1.26 -0.58 135.00 136.81 2za5 s PRO 156 Ca 0.59 2.08 0.02 0.00 0.02 0.00 0.00 61.00 63.71 2za5 s PRO 156 Cb -0.13 -2.01 0.21 0.00 0.02 0.00 0.00 34.50 32.59 2za5 s PRO 156 CO 0.45 -1.38 1.09 -0.35 -0.33 0.00 0.00 177.00 176.49 2za5 n PRO 157 N -1.53 1.65 -3.28 5.54 -0.04 -1.26 -4.97 135.00 131.11 2za5 n PRO 157 Ca 0.14 -0.86 -0.15 0.00 -0.04 0.00 0.00 63.50 62.58 2za5 n PRO 157 Cb 0.47 -1.49 0.07 0.00 -0.04 0.00 0.00 33.50 32.52 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 -2.41 -2.31 0.54 3.72 0.25 -3.95 117.46 113.40 2za5 n PHE 158 Ca 0.13 0.87 -0.40 0.00 -0.05 0.00 0.00 57.45 58.00 2za5 n PHE 158 Cb 0.70 -4.32 -0.03 0.00 -0.94 0.00 0.00 39.48 34.89 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 -4.58 4.47 0.08 -1.08 0.04 -1.26 -2.14 135.00 130.52 2za5 s PRO 159 Ca 0.37 1.98 -0.33 0.00 0.04 0.00 0.00 61.00 63.05 2za5 s PRO 159 Cb -0.05 -3.09 -0.12 0.00 0.04 0.00 0.00 34.50 31.28 2za5 s PRO 159 CO 0.74 -0.00 1.77 -0.11 0.04 0.00 0.00 177.00 179.43 2za5 n LEU 160 N 0.92 3.58 -4.81 -3.56 0.00 -0.72 -4.82 117.00 107.59 2za5 n LEU 160 Ca -0.00 1.01 -0.23 0.00 0.00 0.00 0.00 56.01 56.80 2za5 n LEU 160 Cb 0.44 -1.46 -0.05 0.00 0.00 0.00 0.00 43.42 42.35 2za5 n LEU 160 CO 0.56 -0.03 -0.18 -0.54 0.00 0.00 0.00 177.39 177.19 2za5 s LYS 161 N 2.49 2.90 0.04 1.96 1.02 -0.54 -0.55 119.74 127.05 2za5 s LYS 161 Ca 0.84 -1.04 0.00 0.00 0.02 0.00 0.00 55.97 55.79 2za5 s LYS 161 Cb -0.60 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.12 2za5 s LYS 161 CO 0.41 0.41 -0.04 1.14 -0.92 0.00 0.00 175.35 176.35 2za5 s GLN 162 N -3.73 0.47 -0.19 1.68 -2.07 0.81 -1.70 119.66 114.92 2za5 s GLN 162 Ca 0.32 -0.84 -0.17 0.00 -1.82 0.00 0.00 55.36 52.86 2za5 s GLN 162 Cb -0.08 0.01 0.05 0.00 -1.09 0.00 0.00 33.01 31.90 2za5 s GLN 162 CO 0.24 -0.04 0.51 0.54 -1.32 0.00 0.00 175.29 175.23 2za5 s VAL 163 N -2.17 -0.00 -0.14 3.63 0.11 -0.46 -1.05 120.40 120.32 2za5 s VAL 163 Ca -0.07 0.01 -0.25 0.00 -2.93 0.00 0.00 61.98 58.74 2za5 s VAL 163 Cb -0.05 -0.71 -0.02 0.00 -1.53 0.00 0.00 36.38 34.07 2za5 s VAL 163 CO -0.03 0.00 0.81 -0.75 -3.33 0.00 0.00 175.10 171.80 2za5 s LYS 164 N 0.46 4.34 -0.04 1.54 2.20 -1.26 -1.27 119.74 125.71 2za5 s LYS 164 Ca -0.02 1.01 0.07 0.00 -0.36 0.00 0.00 55.97 56.67 2za5 s LYS 164 Cb -0.04 -3.54 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 2za5 s LYS 164 CO -0.02 -0.23 -0.25 0.14 -0.36 0.00 0.00 175.35 174.63 2za5 s VAL 165 N 1.79 2.07 0.13 4.02 -7.23 -0.51 -4.90 120.40 115.77 2za5 s VAL 165 Ca 0.39 -1.08 -0.30 0.00 -1.81 0.00 0.00 61.98 59.18 2za5 s VAL 165 Cb -0.17 -1.73 -0.07 0.00 0.56 0.00 0.00 36.38 34.97 2za5 s VAL 165 CO 0.15 0.57 1.18 -2.16 -0.31 0.00 0.00 175.10 174.53 2za5 s PRO 166 N -0.37 4.48 0.28 4.82 0.04 -1.26 -4.22 135.00 138.77 2za5 s PRO 166 Ca 0.03 1.80 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 2za5 s PRO 166 Cb -0.12 -3.29 -0.09 0.00 0.04 0.00 0.00 34.50 31.03 2za5 s PRO 166 CO 0.02 -0.14 1.01 0.42 0.04 0.00 0.00 177.00 178.35 2za5 s ILE 167 N 0.42 3.84 -0.08 0.56 -1.09 -1.26 -1.50 121.20 122.09 2za5 s ILE 167 Ca 0.55 1.76 0.03 0.00 -2.23 0.00 0.00 60.65 60.76 2za5 s ILE 167 Cb -0.31 -4.09 0.01 0.00 -1.58 0.00 0.00 42.46 36.49 2za5 s ILE 167 CO 0.33 0.36 -0.17 -0.32 -1.23 0.00 0.00 174.94 173.90 2za5 s MET 168 N -1.51 2.26 0.37 2.79 -2.45 0.07 -4.38 119.30 116.46 2za5 s MET 168 Ca 0.45 -0.61 -0.25 0.00 -1.25 0.00 0.00 55.69 54.03 2za5 s MET 168 Cb -0.27 -1.78 -0.12 0.00 1.25 0.00 0.00 34.83 33.91 2za5 s MET 168 CO 0.34 0.10 0.87 0.39 1.05 0.00 0.00 175.02 177.77 2za5 n GLU 169 N 3.67 1.09 -0.18 4.11 1.02 -1.26 -3.96 120.64 125.13 2za5 n GLU 169 Ca -0.21 0.39 -0.01 0.00 -0.02 0.00 0.00 57.16 57.30 2za5 n GLU 169 Cb 0.52 -1.80 0.06 0.00 -0.02 0.00 0.00 31.44 30.20 2za5 n GLU 169 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2za5 h ASN 170 N 1.45 -0.37 0.48 1.62 4.21 -1.93 -0.16 115.58 120.89 2za5 h ASN 170 Ca -0.41 0.15 -0.11 0.00 1.21 0.00 0.00 56.30 57.14 2za5 h ASN 170 Cb 1.36 0.29 -0.01 0.00 -1.12 0.00 0.00 38.32 38.83 2za5 h ASN 170 CO 0.57 -0.14 -0.49 1.12 -1.29 0.00 0.00 177.43 177.20 2za5 h HIS 171 N 0.06 0.02 -0.29 1.19 2.07 -1.91 0.35 115.15 116.64 2za5 h HIS 171 Ca 0.27 -0.01 -0.09 0.00 -2.85 0.00 0.00 60.37 57.69 2za5 h HIS 171 Cb 0.43 -0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.40 2za5 h HIS 171 CO -0.39 0.51 -0.18 0.82 -3.07 0.00 0.00 177.93 175.61 2za5 h ILE 172 N 0.02 1.30 -0.64 6.12 1.08 -1.68 -2.40 117.51 121.31 2za5 h ILE 172 Ca -0.00 -1.31 -0.08 0.00 -0.39 0.00 0.00 64.86 63.07 2za5 h ILE 172 Cb 0.88 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 36.11 2za5 h ILE 172 CO 0.07 0.42 0.07 0.00 -0.69 0.00 0.00 178.15 178.01 2za5 h ASP 174 N 0.99 0.05 -0.90 0.00 3.58 -0.22 -2.19 116.42 117.74 2za5 h ASP 174 Ca 0.19 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2za5 h ASP 174 Cb 0.48 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.55 2za5 h ASP 174 CO 0.02 0.06 0.58 0.00 -2.88 0.00 0.00 179.24 177.02 2za5 h ALA 175 N 1.28 1.14 -0.99 -0.78 0.00 -1.27 -2.45 119.26 116.19 2za5 h ALA 175 Ca 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2za5 h ALA 175 Cb 0.20 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2za5 h ALA 175 CO -0.22 0.56 0.65 0.87 0.00 0.00 0.00 179.25 181.11 2za5 h LYS 176 N 1.22 1.29 0.00 0.00 1.57 -1.11 -1.34 116.57 118.21 2za5 h LYS 176 Ca 0.33 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2za5 h LYS 176 Cb -0.11 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 31.91 2za5 h LYS 176 CO -0.07 0.85 0.00 0.66 -0.57 0.00 0.00 179.45 180.33 2za5 n TYR 177 N -4.39 0.61 0.13 -1.35 4.02 -0.88 -1.77 117.16 113.53 2za5 n TYR 177 Ca 0.12 0.25 0.09 0.00 -0.01 0.00 0.00 57.90 58.34 2za5 n TYR 177 Cb 0.02 -0.90 0.03 0.00 -0.02 0.00 0.00 39.34 38.48 2za5 n TYR 177 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2za5 h HIS 178 N 0.00 0.00 -2.86 -0.72 3.86 -1.13 -3.43 115.15 110.87 2za5 h HIS 178 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 2za5 h HIS 178 Cb 0.31 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.81 2za5 h HIS 178 CO 0.00 0.14 0.85 -0.51 0.86 0.00 0.00 177.93 179.27 2za5 s LEU 179 N -5.76 4.36 -1.02 2.43 1.43 -0.73 -2.31 118.68 117.09 2za5 s LEU 179 Ca 0.02 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 2za5 s LEU 179 Cb 0.08 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.72 2za5 s LEU 179 CO 0.76 -0.77 0.00 0.61 0.23 0.00 0.00 176.35 177.18 2za5 n GLY 180 N 3.70 1.07 3.13 -3.19 0.00 -1.26 -5.03 105.19 103.61 2za5 n GLY 180 Ca 0.13 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.37 0.93 -0.11 4.61 0.00 -0.98 -5.05 121.76 118.80 2za5 s ALA 181 Ca 0.00 -1.00 0.19 0.00 0.00 0.00 0.00 51.96 51.16 2za5 s ALA 181 Cb 0.00 0.01 0.40 0.00 0.00 0.00 0.00 23.12 23.53 2za5 s ALA 181 CO 0.00 0.01 1.60 1.88 0.00 0.00 0.00 175.76 179.25 2za5 h TYR 182 N 4.06 0.00 -2.14 0.00 0.05 -1.94 -3.47 116.97 113.52 2za5 h TYR 182 Ca -0.38 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 57.80 2za5 h TYR 182 Cb 1.19 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.98 2za5 h TYR 182 CO 0.64 0.32 0.78 2.41 -1.05 0.00 0.00 178.16 181.26 2za5 n THR 183 N -3.25 0.07 -1.60 -2.88 -1.04 -1.26 -4.89 114.28 99.42 2za5 n THR 183 Ca 0.02 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 2za5 n THR 183 Cb 0.60 -1.46 0.04 0.00 -1.82 0.00 0.00 70.33 67.69 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 3.41 -0.39 0.26 3.41 0.00 -1.26 -4.87 105.19 105.75 2za5 n GLY 184 Ca 0.18 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 0.86 0.00 1.12 1.61 3.32 -1.99 -1.81 116.42 119.53 2za5 h ASP 185 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2za5 h ASP 185 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 2za5 h ASP 185 CO 0.53 0.12 -0.08 -0.90 -1.72 0.00 0.00 179.24 177.18 2za5 n ASP 186 N -3.71 0.39 -4.59 6.45 5.75 -1.26 -4.74 116.55 114.84 2za5 n ASP 186 Ca -0.02 0.44 -0.43 0.00 -0.01 0.00 0.00 54.79 54.78 2za5 n ASP 186 Cb 0.23 -0.50 -0.04 0.00 -1.03 0.00 0.00 41.12 39.78 2za5 n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2za5 s VAL 187 N -3.05 4.59 -0.11 2.12 1.01 -0.68 -5.03 120.40 119.26 2za5 s VAL 187 Ca 0.12 1.02 -0.28 0.00 0.00 0.00 0.00 61.98 62.83 2za5 s VAL 187 Cb 0.16 -4.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 2za5 s VAL 187 CO 0.58 -0.58 0.94 -0.60 0.00 0.00 0.00 175.10 175.44 2za5 s ARG 188 N 3.45 4.41 -0.23 2.72 3.52 -1.26 -4.88 118.95 126.68 2za5 s ARG 188 Ca 0.36 1.28 -0.13 0.00 -0.13 0.00 0.00 55.73 57.11 2za5 s ARG 188 Cb -0.12 -3.53 -0.10 0.00 -1.56 0.00 0.00 34.95 29.64 2za5 s ARG 188 CO 0.20 -0.26 -0.31 -0.89 -0.81 0.00 0.00 175.30 173.22 2za5 n ILE 189 N 4.47 1.36 -2.67 4.11 5.41 -1.26 -4.81 119.36 125.97 2za5 n ILE 189 Ca 0.07 -0.25 -0.42 0.00 1.00 0.00 0.00 62.75 63.14 2za5 n ILE 189 Cb 0.49 -1.90 -0.03 0.00 -0.71 0.00 0.00 39.64 37.49 2za5 n ILE 189 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2za5 s VAL 190 N -2.50 4.09 0.63 1.39 1.01 -1.26 -5.01 120.40 118.75 2za5 s VAL 190 Ca -0.33 0.52 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 2za5 s VAL 190 Cb 0.11 -4.71 0.03 0.00 0.00 0.00 0.00 36.38 31.81 2za5 s VAL 190 CO 0.42 -1.39 0.95 -0.13 0.00 0.00 0.00 175.10 174.95 2za5 s ARG 191 N 4.76 2.69 0.51 2.72 1.81 -1.26 -4.90 118.95 125.27 2za5 s ARG 191 Ca 0.36 -0.05 0.20 0.00 -1.72 0.00 0.00 55.73 54.53 2za5 s ARG 191 Cb -0.10 -2.22 1.31 0.00 -0.45 0.00 0.00 34.95 33.49 2za5 s ARG 191 CO 0.20 -0.89 2.09 -0.44 -0.68 0.00 0.00 175.30 175.58 2za5 h ASP 192 N -0.35 0.00 -0.03 0.23 3.32 -2.00 0.16 116.42 117.76 2za5 h ASP 192 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2za5 h ASP 192 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2za5 h ASP 192 CO 0.61 0.10 0.00 -0.90 -1.72 0.00 0.00 179.24 177.33 2za5 n ASP 193 N -4.12 0.18 -4.71 6.45 5.75 -1.26 -4.85 116.55 113.98 2za5 n ASP 193 Ca -0.03 -1.79 -0.24 0.00 -0.01 0.00 0.00 54.79 52.72 2za5 n ASP 193 Cb 0.18 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.18 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 -1.96 2.22 -0.04 0.11 -1.94 0.57 -0.19 119.30 118.07 2za5 s MET 194 Ca 0.12 -1.75 -0.08 0.00 -1.71 0.00 0.00 55.69 52.28 2za5 s MET 194 Cb 0.06 -2.01 0.01 0.00 2.01 0.00 0.00 34.83 34.90 2za5 s MET 194 CO 0.09 0.01 0.18 -1.17 -0.01 0.00 0.00 175.02 174.12 2za5 s LEU 195 N -3.83 1.33 -0.06 -0.03 0.20 0.17 -4.62 118.68 111.84 2za5 s LEU 195 Ca 0.38 0.15 0.05 0.00 0.69 0.00 0.00 54.13 55.40 2za5 s LEU 195 Cb 0.01 0.72 -0.02 0.00 -0.43 0.00 0.00 46.19 46.47 2za5 s LEU 195 CO 0.22 -0.21 -0.20 0.00 -0.29 0.00 0.00 176.35 175.87 2za5 s ALA 197 N -0.40 -1.12 0.00 0.00 0.00 -0.79 -0.75 121.76 118.70 2za5 s ALA 197 Ca 0.04 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2za5 s ALA 197 Cb -0.12 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.21 2za5 s ALA 197 CO 0.02 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.80 2za5 n GLY 198 N 0.79 2.47 0.00 0.00 0.00 -0.56 -1.28 105.19 106.60 2za5 n GLY 198 Ca -0.19 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.85 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 0.34 -4.68 115.26 112.76 2za5 n ASN 199 Ca 0.00 -0.20 0.12 0.00 -0.53 0.00 0.00 54.58 53.97 2za5 n ASN 199 Cb 0.00 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 38.42 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 0.03 0.00 5.53 -2.24 -1.26 -3.26 114.28 113.08 2za5 n THR 200 Ca 0.00 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2za5 n THR 200 Cb 0.00 -0.62 -0.00 0.00 -2.10 0.00 0.00 70.33 67.61 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 -1.03 0.79 -3.80 -0.78 1.74 -1.26 -4.82 116.66 107.50 2za5 n ARG 201 Ca 0.18 -0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.06 2za5 n ARG 201 Cb 0.10 -0.95 -0.17 0.00 -1.02 0.00 0.00 32.46 30.41 2za5 n ARG 201 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2za5 s ARG 202 N -1.91 0.26 0.14 5.56 0.52 -1.20 -3.64 118.95 118.67 2za5 s ARG 202 Ca -0.00 0.18 -0.25 0.00 -0.52 0.00 0.00 55.73 55.14 2za5 s ARG 202 Cb 0.00 -0.63 0.07 0.00 0.52 0.00 0.00 34.95 34.92 2za5 s ARG 202 CO 0.02 -0.24 1.00 0.34 0.02 0.00 0.00 175.30 176.43 2za5 s ASP 203 N 1.66 -0.15 0.55 0.23 -1.08 -1.17 -0.51 116.67 116.20 2za5 s ASP 203 Ca -0.01 -0.39 0.03 0.00 -0.52 0.00 0.00 52.55 51.65 2za5 s ASP 203 Cb -0.13 0.45 0.04 0.00 -1.46 0.00 0.00 42.92 41.83 2za5 s ASP 203 CO -0.03 -0.84 0.77 -0.94 0.52 0.00 0.00 175.17 174.64 2za5 s SER 204 N -2.97 5.21 0.33 -0.34 1.04 -1.26 -1.09 113.70 114.61 2za5 s SER 204 Ca 0.13 -0.16 -0.09 0.00 0.48 0.00 0.00 55.95 56.30 2za5 s SER 204 Cb -0.01 -0.67 0.02 0.00 0.10 0.00 0.00 66.02 65.45 2za5 s SER 204 CO 0.02 -1.18 0.57 0.00 0.98 0.00 0.00 173.24 173.63 2za5 n GLN 206 N -0.51 1.34 0.00 0.00 7.27 -1.26 0.77 117.38 125.00 2za5 n GLN 206 Ca -0.02 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.53 2za5 n GLN 206 Cb 0.61 -2.16 0.00 0.00 2.41 0.00 0.00 30.24 31.10 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 3.00 3.39 0.07 1.69 0.00 -1.26 -0.43 105.19 111.64 2za5 n GLY 207 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 0.01 0.70 -4.54 1.61 8.00 0.23 -3.83 116.55 118.72 2za5 n ASP 208 Ca 0.00 0.15 -0.48 0.00 0.71 0.00 0.00 54.79 55.16 2za5 n ASP 208 Cb 0.00 0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 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 -2.10 0.74 0.00 -2.24 7.64 -1.24 -1.45 113.62 114.97 2za5 n SER 209 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.07 2za5 n SER 209 Cb 0.44 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 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 1.77 3.02 3.86 0.23 0.00 -0.46 0.69 105.19 114.30 2za5 n GLY 210 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.03 1.64 0.00 -0.02 0.00 -0.53 -3.38 107.32 103.00 2za5 s GLY 211 Ca 0.00 -0.79 -0.22 0.00 0.00 0.00 0.00 44.72 43.71 2za5 s GLY 211 CO 0.00 -0.18 0.64 2.56 0.00 0.00 0.00 173.10 176.13 2za5 s PRO 212 N -5.58 4.37 -0.31 2.90 0.04 -1.26 -1.25 135.00 133.91 2za5 s PRO 212 Ca 0.66 0.83 -0.10 0.00 0.04 0.00 0.00 61.00 62.42 2za5 s PRO 212 Cb -0.10 -3.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 2za5 s PRO 212 CO 0.52 0.32 0.17 -1.17 0.04 0.00 0.00 177.00 176.88 2za5 s LEU 213 N -0.08 4.15 -0.03 -3.56 2.96 -0.21 -3.38 118.68 118.53 2za5 s LEU 213 Ca 0.33 -0.41 0.07 0.00 -0.22 0.00 0.00 54.13 53.90 2za5 s LEU 213 Cb -0.19 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 2za5 s LEU 213 CO 0.19 -0.18 -0.24 0.68 -1.32 0.00 0.00 176.35 175.48 2za5 s VAL 214 N 1.66 2.20 0.04 1.68 -7.23 0.25 -0.52 120.40 118.49 2za5 s VAL 214 Ca 0.05 -1.05 0.09 0.00 -1.81 0.00 0.00 61.98 59.27 2za5 s VAL 214 Cb -0.17 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 2za5 s VAL 214 CO 0.08 0.58 -0.26 0.00 -0.31 0.00 0.00 175.10 175.19 2za5 s LYS 216 N -1.20 3.83 -0.21 0.00 2.20 -1.00 -0.43 119.74 122.92 2za5 s LYS 216 Ca 0.11 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.09 2za5 s LYS 216 Cb -0.10 -3.77 0.05 0.00 -1.51 0.00 0.00 37.83 32.50 2za5 s LYS 216 CO 0.02 -0.75 -0.06 0.08 -0.36 0.00 0.00 175.35 174.27 2za5 s VAL 217 N 2.96 1.43 -1.33 4.02 1.01 0.85 -4.71 120.40 124.62 2za5 s VAL 217 Ca 0.30 -1.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 2za5 s VAL 217 Cb -0.14 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.59 2za5 s VAL 217 CO 0.15 0.00 0.51 0.59 0.00 0.00 0.00 175.10 176.35 2za5 n ASN 218 N 4.73 -1.69 0.00 3.32 5.03 -1.26 -1.53 115.26 123.85 2za5 n ASN 218 Ca -0.13 -1.04 0.00 0.00 0.87 0.00 0.00 54.58 54.28 2za5 n ASN 218 Cb 0.45 -2.98 0.00 0.00 -1.02 0.00 0.00 39.78 36.23 2za5 n ASN 218 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2za5 n GLY 219 N -1.94 2.81 3.87 7.41 0.00 -1.26 -5.01 105.19 111.07 2za5 n GLY 219 Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.82 5.38 -0.18 2.61 2.01 -0.58 -5.07 115.64 118.99 2za5 s THR 220 Ca 0.00 0.36 -0.26 0.00 0.31 0.00 0.00 61.69 62.10 2za5 s THR 220 Cb 0.00 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.01 2za5 s THR 220 CO 0.00 0.59 0.85 0.26 -0.69 0.00 0.00 174.62 175.63 2za5 s TRP 221 N -1.06 3.40 -0.02 4.92 0.52 -1.26 -0.11 118.94 125.34 2za5 s TRP 221 Ca 0.18 1.27 0.04 0.00 0.02 0.00 0.00 56.10 57.60 2za5 s TRP 221 Cb -0.13 -3.04 -0.03 0.00 -1.15 0.00 0.00 33.47 29.11 2za5 s TRP 221 CO 0.07 -0.28 -0.11 -0.51 0.02 0.00 0.00 176.95 176.15 2za5 s LEU 222 N 2.32 2.96 -0.64 2.99 1.43 0.43 -3.75 118.68 124.41 2za5 s LEU 222 Ca 0.39 -0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 53.02 2za5 s LEU 222 Cb -0.16 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.41 2za5 s LEU 222 CO 0.11 0.31 1.25 -1.58 0.23 0.00 0.00 176.35 176.67 2za5 s GLN 223 N -1.15 3.36 0.11 1.70 0.74 -0.74 -0.68 119.66 123.01 2za5 s GLN 223 Ca 0.14 0.07 -0.04 0.00 0.05 0.00 0.00 55.36 55.59 2za5 s GLN 223 Cb -0.11 -4.09 -0.17 0.00 1.10 0.00 0.00 33.01 29.74 2za5 s GLN 223 CO 0.04 -1.90 1.24 0.00 -0.55 0.00 0.00 175.29 174.12 2za5 h ALA 224 N 9.89 0.26 -2.70 1.58 0.00 -1.16 -3.39 119.26 123.74 2za5 h ALA 224 Ca -0.26 -0.78 -0.08 0.00 0.00 0.00 0.00 54.91 53.78 2za5 h ALA 224 Cb 1.06 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 2za5 h ALA 224 CO 1.22 0.88 -0.22 0.20 0.00 0.00 0.00 179.25 181.34 2za5 s GLY 225 N -4.53 0.30 -0.18 0.00 0.00 -0.96 -1.79 107.32 100.17 2za5 s GLY 225 Ca -0.05 -0.68 -0.03 0.00 0.00 0.00 0.00 44.72 43.96 2za5 s GLY 225 CO 0.87 -0.67 -0.07 0.14 0.00 0.00 0.00 173.10 173.37 2za5 s VAL 226 N -3.94 3.39 -0.10 1.40 1.01 -0.51 -1.05 120.40 120.61 2za5 s VAL 226 Ca 0.14 -0.51 -0.36 0.00 0.00 0.00 0.00 61.98 61.25 2za5 s VAL 226 Cb 0.02 -2.49 -0.14 0.00 0.00 0.00 0.00 36.38 33.77 2za5 s VAL 226 CO -0.01 0.47 1.76 0.52 0.00 0.00 0.00 175.10 177.84 2za5 n VAL 227 N 4.08 0.38 0.06 2.92 0.31 -0.38 -0.50 118.33 125.21 2za5 n VAL 227 Ca -0.18 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2za5 n VAL 227 Cb 0.52 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 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 5.55 0.76 -0.66 4.52 2.88 -0.90 -1.35 113.62 124.42 2za5 n SER 228 Ca 0.23 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 2za5 n SER 228 Cb 0.24 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 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 -3.37 -0.57 0.00 0.66 4.27 -0.75 -4.95 117.44 112.73 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 1.56 3.51 -1.67 0.00 -1.26 -0.94 105.19 106.39 2za5 n GLY 230 Ca 0.00 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.96 3.29 1.67 1.61 2.12 -1.26 -4.94 118.70 119.23 2za5 s GLU 231 Ca 0.00 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 54.95 2za5 s GLU 231 Cb 0.00 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 30.42 2za5 s GLU 231 CO 0.00 -1.09 0.00 0.41 -0.54 0.00 0.00 175.26 174.04 2za5 n GLY 232 N 5.05 0.68 3.14 -1.50 0.00 -1.26 -4.51 105.19 106.79 2za5 n GLY 232 Ca -0.01 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 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 3.84 -0.98 -2.05 0.00 0.00 -1.26 -4.68 120.51 115.38 2za5 n ALA 234 Ca -0.20 0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 2za5 n ALA 234 Cb 0.52 -2.58 -0.04 0.00 0.00 0.00 0.00 19.45 17.34 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 -5.73 3.92 0.11 0.00 -1.52 -1.26 -4.35 119.66 110.84 2za5 s GLN 235 Ca 0.29 0.70 -0.33 0.00 -1.95 0.00 0.00 55.36 54.07 2za5 s GLN 235 Cb -0.15 -2.32 -0.13 0.00 -0.22 0.00 0.00 33.01 30.20 2za5 s GLN 235 CO 0.35 -0.05 1.70 -2.30 -0.25 0.00 0.00 175.29 174.75 2za5 n PRO 236 N -1.08 2.36 -1.63 2.91 -0.02 -1.26 -2.40 135.00 133.88 2za5 n PRO 236 Ca 0.04 0.85 -0.13 0.00 -2.02 0.00 0.00 63.50 62.25 2za5 n PRO 236 Cb 0.54 -2.67 -0.04 0.00 -0.02 0.00 0.00 33.50 31.31 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 4.52 -4.37 -3.21 2.55 3.02 -1.26 -4.94 115.26 111.57 2za5 n ASN 237 Ca 0.18 0.22 -0.23 0.00 -0.03 0.00 0.00 54.58 54.71 2za5 n ASN 237 Cb 0.31 -3.17 -0.06 0.00 -0.61 0.00 0.00 39.78 36.25 2za5 n ASN 237 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2za5 n ARG 238 N -2.51 1.06 -1.52 3.52 5.12 -1.01 -3.84 116.66 117.48 2za5 n ARG 238 Ca -0.13 -3.48 -0.36 0.00 -1.93 0.00 0.00 57.85 51.94 2za5 n ARG 238 Cb 0.48 -1.46 0.08 0.00 -1.16 0.00 0.00 32.46 30.39 2za5 n ARG 238 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2za5 n PRO 239 N 1.09 0.76 -1.90 5.56 -0.02 -1.26 -4.37 135.00 134.86 2za5 n PRO 239 Ca 0.23 0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 2za5 n PRO 239 Cb 0.53 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2za5 n PRO 239 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2za5 s GLY 240 N -1.50 2.95 -0.13 -1.23 0.00 -0.40 -4.70 107.32 102.30 2za5 s GLY 240 Ca 0.77 1.45 -0.01 0.00 0.00 0.00 0.00 44.72 46.93 2za5 s GLY 240 CO 0.46 2.10 -0.09 -0.42 0.00 0.00 0.00 173.10 175.16 2za5 s ILE 241 N -1.16 3.45 0.11 0.90 1.01 -0.12 -1.88 121.20 123.51 2za5 s ILE 241 Ca 0.54 -0.53 0.10 0.00 0.00 0.00 0.00 60.65 60.77 2za5 s ILE 241 Cb -0.44 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 2za5 s ILE 241 CO 0.58 0.52 -0.26 -0.31 0.00 0.00 0.00 174.94 175.48 2za5 s TYR 242 N 0.21 2.35 0.19 3.97 1.51 0.86 -1.80 117.35 124.63 2za5 s TYR 242 Ca -0.05 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.33 2za5 s TYR 242 Cb -0.15 -1.30 -0.08 0.00 -0.11 0.00 0.00 41.96 40.32 2za5 s TYR 242 CO 0.04 0.29 1.30 0.99 -1.11 0.00 0.00 175.55 177.06 2za5 s THR 243 N -1.01 3.29 -0.56 -0.71 2.01 0.35 -0.65 115.64 118.36 2za5 s THR 243 Ca 0.14 1.05 -0.28 0.00 0.31 0.00 0.00 61.69 62.91 2za5 s THR 243 Cb -0.10 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.77 2za5 s THR 243 CO 0.05 0.15 1.14 -0.60 -0.69 0.00 0.00 174.62 174.68 2za5 s ARG 244 N 0.00 3.51 0.20 4.92 3.52 0.74 -1.43 118.95 130.42 2za5 s ARG 244 Ca 0.57 0.21 -0.11 0.00 -0.13 0.00 0.00 55.73 56.28 2za5 s ARG 244 Cb -0.36 -4.00 0.21 0.00 -1.56 0.00 0.00 34.95 29.24 2za5 s ARG 244 CO 0.37 -1.60 1.79 0.28 -0.81 0.00 0.00 175.30 175.32 2za5 h VAL 245 N 6.15 0.92 -0.88 7.11 2.07 -1.63 -2.22 116.25 127.77 2za5 h VAL 245 Ca -0.25 -0.19 0.21 0.00 0.82 0.00 0.00 66.70 67.29 2za5 h VAL 245 Cb 1.06 0.31 -0.12 0.00 -1.52 0.00 0.00 31.29 31.02 2za5 h VAL 245 CO 1.16 0.10 0.38 0.71 0.02 0.00 0.00 177.57 179.95 2za5 h THR 246 N 0.56 0.49 -0.61 2.57 1.35 -1.87 -1.32 112.91 114.09 2za5 h THR 246 Ca 0.28 -0.14 0.17 0.00 -0.55 0.00 0.00 66.41 66.17 2za5 h THR 246 Cb 0.21 0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 66.66 2za5 h THR 246 CO -0.20 0.07 0.43 0.22 -0.25 0.00 0.00 175.52 175.80 2za5 h TYR 247 N 0.41 0.01 -0.17 4.73 5.03 -1.76 -2.61 116.97 122.61 2za5 h TYR 247 Ca 0.54 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.81 2za5 h TYR 247 Cb 1.01 -0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.26 2za5 h TYR 247 CO -0.14 0.01 -0.08 0.66 -1.32 0.00 0.00 178.16 177.28 2za5 n TYR 248 N -4.36 0.58 -0.22 -3.82 4.01 -0.51 -4.73 117.16 108.12 2za5 n TYR 248 Ca 0.12 -1.17 -0.06 0.00 -0.16 0.00 0.00 57.90 56.63 2za5 n TYR 248 Cb 0.67 -0.30 0.04 0.00 -0.31 0.00 0.00 39.34 39.44 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 0.97 0.74 -0.87 7.72 3.38 -1.42 -0.09 115.31 125.74 2za5 h LEU 249 Ca 0.05 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2za5 h LEU 249 Cb 1.31 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 2za5 h LEU 249 CO 0.17 0.58 0.43 0.44 0.09 0.00 0.00 178.44 180.15 2za5 h ASP 250 N 0.83 1.12 -0.21 -0.43 3.32 -1.85 0.32 116.42 119.53 2za5 h ASP 250 Ca 0.22 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 2za5 h ASP 250 Cb -0.02 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.24 2za5 h ASP 250 CO -0.04 0.93 -0.18 -0.25 -1.72 0.00 0.00 179.24 177.98 2za5 h TRP 251 N 1.23 0.59 -0.51 4.55 7.01 -1.85 -2.09 115.95 124.88 2za5 h TRP 251 Ca 0.30 -0.17 0.02 0.00 2.11 0.00 0.00 58.89 61.16 2za5 h TRP 251 Cb 0.10 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 26.99 2za5 h TRP 251 CO 0.01 0.82 0.30 0.82 -2.79 0.00 0.00 178.44 177.61 2za5 h ILE 252 N 0.18 1.05 0.00 2.65 2.04 -0.70 -2.84 117.51 119.89 2za5 h ILE 252 Ca 0.04 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2za5 h ILE 252 Cb 0.71 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2za5 h ILE 252 CO 0.05 0.11 -0.05 0.45 0.00 0.00 0.00 178.15 178.70 2za5 h HIS 253 N 0.60 0.00 0.00 1.37 3.86 -0.27 -0.88 115.15 119.83 2za5 h HIS 253 Ca 0.20 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 2za5 h HIS 253 Cb 0.02 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 2za5 h HIS 253 CO -0.07 0.05 -0.07 1.25 0.86 0.00 0.00 177.93 179.95 2za5 h HIS 254 N 0.00 0.00 0.00 2.45 -0.00 -1.12 -3.33 115.15 113.16 2za5 h HIS 254 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.23 2za5 h HIS 254 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.91 2za5 h HIS 254 CO 0.00 0.07 -1.53 0.66 -0.00 0.00 0.00 177.93 177.13 2za5 n TYR 255 N -3.26 0.00 -3.96 5.26 4.01 -0.79 -5.01 117.16 113.41 2za5 n TYR 255 Ca -0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.38 2za5 n TYR 255 Cb 0.28 -0.37 -0.11 0.00 -0.31 0.00 0.00 39.34 38.83 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 -2.19 4.46 0.15 -0.72 1.01 -0.40 -5.06 120.40 117.64 2za5 s VAL 256 Ca -0.08 -0.14 -0.34 0.00 0.00 0.00 0.00 61.98 61.42 2za5 s VAL 256 Cb 0.03 -3.03 -0.16 0.00 0.00 0.00 0.00 36.38 33.22 2za5 s VAL 256 CO 0.26 0.41 1.25 -2.65 0.00 0.00 0.00 175.10 174.37 2za5 n PRO 257 N 4.15 1.27 0.00 2.72 -0.02 -1.26 -4.60 135.00 137.26 2za5 n PRO 257 Ca -0.16 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2za5 n PRO 257 Cb 0.52 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2za5 n PRO 257 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84