#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5g s VAL 17 N 0.00 2.87 -0.93 1.39 1.01 0.50 -3.83 120.40 121.40 1a5g s VAL 17 Ca 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1a5g s VAL 17 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1a5g s VAL 17 CO 0.00 0.50 0.49 -0.62 0.00 0.00 0.00 175.10 175.46 1a5g n GLU 18 N 4.19 -3.64 0.00 2.72 -0.58 -1.26 -2.14 120.64 119.93 1a5g n GLU 18 Ca -0.19 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 1a5g n GLU 18 Cb 0.51 -4.69 0.00 0.00 -0.57 0.00 0.00 31.44 26.70 1a5g n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a5g n GLY 19 N -1.30 2.75 3.34 0.62 0.00 -1.26 -4.62 105.19 104.72 1a5g n GLY 19 Ca -0.05 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 1a5g n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a5g s SER 20 N -0.65 -0.25 0.46 1.61 1.04 -0.76 -4.92 113.70 110.22 1a5g s SER 20 Ca 0.00 -0.32 -0.25 0.00 0.48 0.00 0.00 55.95 55.86 1a5g s SER 20 Cb 0.00 0.49 -0.08 0.00 0.10 0.00 0.00 66.02 66.53 1a5g s SER 20 CO 0.00 -0.88 1.41 -1.81 0.98 0.00 0.00 173.24 172.95 1a5g s ASP 21 N -2.81 5.84 0.68 7.02 1.01 -1.26 -1.20 116.67 125.95 1a5g s ASP 21 Ca 0.03 2.89 -0.11 0.00 0.71 0.00 0.00 52.55 56.07 1a5g s ASP 21 Cb 0.01 -2.65 -0.00 0.00 1.01 0.00 0.00 42.92 41.29 1a5g s ASP 21 CO -0.11 -1.19 1.05 0.00 0.21 0.00 0.00 175.17 175.13 1a5g s ALA 22 N -1.22 2.76 0.60 5.23 0.00 0.37 -4.75 121.76 124.75 1a5g s ALA 22 Ca 0.62 0.08 -0.09 0.00 0.00 0.00 0.00 51.96 52.57 1a5g s ALA 22 Cb -0.43 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 1a5g s ALA 22 CO 0.55 -1.10 0.96 -1.21 0.00 0.00 0.00 175.76 174.96 1a5g s GLU 23 N -5.00 3.28 0.35 0.00 2.02 -1.26 -4.90 118.70 113.20 1a5g s GLU 23 Ca 0.58 0.40 -0.28 0.00 0.02 0.00 0.00 54.97 55.69 1a5g s GLU 23 Cb -0.14 -2.17 -0.10 0.00 0.10 0.00 0.00 34.13 31.82 1a5g s GLU 23 CO 0.53 -0.62 1.35 0.42 0.02 0.00 0.00 175.26 176.97 1a5g s ILE 24 N -3.08 2.53 -2.17 -1.63 -1.09 -1.26 -2.43 121.20 112.07 1a5g s ILE 24 Ca 0.54 0.52 0.00 0.00 -2.23 0.00 0.00 60.65 59.48 1a5g s ILE 24 Cb -0.11 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 1a5g s ILE 24 CO 0.50 0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.94 1a5g n GLY 25 N 0.69 1.71 0.13 6.18 0.00 -1.26 -4.91 105.19 107.73 1a5g n GLY 25 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1a5g n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1a5g h MET 26 N 0.00 0.00 -2.04 1.61 -1.53 -1.84 -3.37 114.93 107.76 1a5g h MET 26 Ca -0.44 0.00 -0.56 0.00 -3.44 0.00 0.00 59.70 55.26 1a5g h MET 26 Cb 1.37 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 32.03 1a5g h MET 26 CO 0.62 0.63 -1.09 0.43 0.14 0.00 0.00 176.91 177.64 1a5g n SER 27 N -3.62 0.10 0.00 1.39 7.64 -1.26 -4.99 113.62 112.88 1a5g n SER 27 Ca -0.01 -2.65 0.07 0.00 1.01 0.00 0.00 58.87 57.29 1a5g n SER 27 Cb 0.66 -0.63 0.39 0.00 -1.01 0.00 0.00 64.21 63.62 1a5g n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1a5g n PRO 28 N 1.58 0.39 -0.00 1.43 -0.04 -1.26 -1.47 135.00 135.64 1a5g n PRO 28 Ca 0.22 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 1a5g n PRO 28 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 1a5g n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1a5g n TRP 29 N -1.03 0.01 -1.82 0.54 2.14 -1.06 -1.74 117.44 114.48 1a5g n TRP 29 Ca 0.10 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.25 1a5g n TRP 29 Cb 0.05 -0.08 -0.03 0.00 -0.81 0.00 0.00 31.31 30.44 1a5g n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1a5g s GLN 30 N -3.05 4.17 0.14 -2.67 2.00 -0.54 0.69 119.66 120.39 1a5g s GLN 30 Ca 0.07 2.50 0.08 0.00 -2.00 0.00 0.00 55.36 56.00 1a5g s GLN 30 Cb 0.16 -3.13 -0.04 0.00 0.80 0.00 0.00 33.01 30.80 1a5g s GLN 30 CO 0.86 -0.69 -0.18 0.08 -0.50 0.00 0.00 175.29 174.86 1a5g s VAL 31 N 1.23 1.67 -0.15 1.34 1.01 -0.94 -3.99 120.40 120.56 1a5g s VAL 31 Ca 0.73 -1.76 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 1a5g s VAL 31 Cb -0.47 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1a5g s VAL 31 CO 0.32 -0.27 -0.12 -0.32 0.00 0.00 0.00 175.10 174.70 1a5g s MET 32 N -2.52 3.34 -0.41 2.72 1.75 0.54 -1.88 119.30 122.84 1a5g s MET 32 Ca 0.11 -0.69 -0.22 0.00 -1.25 0.00 0.00 55.69 53.64 1a5g s MET 32 Cb -0.07 -2.68 0.02 0.00 2.84 0.00 0.00 34.83 34.94 1a5g s MET 32 CO 0.05 0.10 0.72 -1.17 -0.65 0.00 0.00 175.02 174.07 1a5g s LEU 33 N 0.63 4.28 -0.05 4.11 0.20 0.80 -1.60 118.68 127.05 1a5g s LEU 33 Ca -0.07 -0.01 0.03 0.00 0.69 0.00 0.00 54.13 54.78 1a5g s LEU 33 Cb -0.15 -2.88 0.00 0.00 -0.43 0.00 0.00 46.19 42.73 1a5g s LEU 33 CO 0.03 -0.77 -0.14 0.12 -0.29 0.00 0.00 176.35 175.29 1a5g s PHE 34 N 3.00 1.56 0.02 5.38 5.36 0.66 -1.42 117.98 132.54 1a5g s PHE 34 Ca 0.27 -0.51 -0.28 0.00 -0.96 0.00 0.00 56.93 55.45 1a5g s PHE 34 Cb -0.13 -1.09 -0.04 0.00 -0.34 0.00 0.00 43.02 41.42 1a5g s PHE 34 CO 0.19 -0.22 0.89 0.50 -1.46 0.00 0.00 175.22 175.12 1a5g s ARG 35 N 0.33 4.56 0.19 10.12 3.52 0.14 -1.67 118.95 136.15 1a5g s ARG 35 Ca -0.09 1.27 -0.09 0.00 -0.13 0.00 0.00 55.73 56.69 1a5g s ARG 35 Cb -0.13 -3.43 0.11 0.00 -1.56 0.00 0.00 34.95 29.94 1a5g s ARG 35 CO 0.03 0.07 1.72 0.87 -0.81 0.00 0.00 175.30 177.18 1a5g h LYS 36 N 6.38 1.08 -1.32 5.12 1.57 -1.84 -2.24 116.57 125.31 1a5g h LYS 36 Ca -0.42 -0.24 0.05 0.00 -1.87 0.00 0.00 60.65 58.17 1a5g h LYS 36 Cb 1.21 -0.15 -0.22 0.00 0.08 0.00 0.00 32.23 33.15 1a5g h LYS 36 CO 0.74 0.94 -0.28 -1.12 -0.57 0.00 0.00 179.45 179.16 1a5g s SER 36 N -6.35 -1.11 0.85 0.86 0.01 -1.26 -3.85 113.70 102.85 1a5g s SER 36 Ca -0.12 0.91 -0.10 0.00 1.31 0.00 0.00 55.95 57.94 1a5g s SER 36 Cb 0.14 2.03 0.11 0.00 0.21 0.00 0.00 66.02 68.51 1a5g s SER 36 CO 0.83 -0.26 1.13 -2.16 0.41 0.00 0.00 173.24 173.19 1a5g s PRO 37 N 2.82 1.55 -0.27 12.44 0.04 -1.26 -5.04 135.00 145.27 1a5g s PRO 37 Ca 0.15 1.41 -0.28 0.00 0.04 0.00 0.00 61.00 62.32 1a5g s PRO 37 Cb -0.15 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1a5g s PRO 37 CO -0.20 -2.21 0.99 -0.65 0.04 0.00 0.00 177.00 174.97 1a5g s GLN 38 N -4.72 4.14 -0.01 4.56 -0.21 -1.24 -4.62 119.66 117.56 1a5g s GLN 38 Ca 0.65 1.09 -0.29 0.00 0.02 0.00 0.00 55.36 56.83 1a5g s GLN 38 Cb -0.21 -3.69 0.08 0.00 1.00 0.00 0.00 33.01 30.20 1a5g s GLN 38 CO 0.57 -0.71 0.71 -1.83 -2.12 0.00 0.00 175.29 171.91 1a5g s GLU 39 N 3.27 1.04 0.06 2.91 -1.05 -0.84 -4.95 118.70 119.13 1a5g s GLU 39 Ca 0.41 0.05 -0.31 0.00 -0.15 0.00 0.00 54.97 54.98 1a5g s GLU 39 Cb -0.14 0.49 -0.06 0.00 -0.44 0.00 0.00 34.13 33.98 1a5g s GLU 39 CO 0.10 -0.37 1.23 -1.17 0.95 0.00 0.00 175.26 176.01 1a5g s LEU 40 N -1.60 4.36 -0.20 1.83 2.96 -1.26 0.29 118.68 125.06 1a5g s LEU 40 Ca -0.06 2.05 -0.17 0.00 -0.22 0.00 0.00 54.13 55.73 1a5g s LEU 40 Cb -0.00 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.03 1a5g s LEU 40 CO 0.03 -0.51 -0.33 0.18 -1.32 0.00 0.00 176.35 174.40 1a5g n LEU 41 N 4.02 1.94 -3.82 -0.68 4.32 -0.50 -4.92 117.00 117.36 1a5g n LEU 41 Ca 0.09 0.35 -0.06 0.00 -0.02 0.00 0.00 56.01 56.38 1a5g n LEU 41 Cb 0.46 -0.77 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 1a5g n LEU 41 CO 0.56 -0.08 0.62 0.00 -1.22 0.00 0.00 177.39 177.27 1a5g s GLY 43 N -3.06 1.76 0.13 0.00 0.00 0.12 -0.14 107.32 106.13 1a5g s GLY 43 Ca 0.15 -1.69 -0.24 0.00 0.00 0.00 0.00 44.72 42.93 1a5g s GLY 43 CO 0.07 -1.06 1.09 0.00 0.00 0.00 0.00 173.10 173.19 1a5g s ALA 44 N -3.29 -1.81 0.00 3.20 0.00 -0.79 -3.87 121.76 115.21 1a5g s ALA 44 Ca 0.68 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.54 1a5g s ALA 44 Cb -0.05 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 1a5g s ALA 44 CO 0.46 -1.08 -0.04 -1.54 0.00 0.00 0.00 175.76 173.57 1a5g s SER 45 N -3.37 0.40 -0.24 0.00 1.04 0.04 -2.23 113.70 109.36 1a5g s SER 45 Ca 0.21 -0.14 -0.22 0.00 0.48 0.00 0.00 55.95 56.28 1a5g s SER 45 Cb -0.01 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 1a5g s SER 45 CO 0.03 -0.01 0.71 -0.22 0.98 0.00 0.00 173.24 174.73 1a5g s LEU 46 N -0.32 4.08 0.00 2.42 2.96 0.22 -1.61 118.68 126.43 1a5g s LEU 46 Ca -0.01 0.86 0.11 0.00 -0.22 0.00 0.00 54.13 54.87 1a5g s LEU 46 Cb -0.03 -2.99 -0.09 0.00 0.50 0.00 0.00 46.19 43.58 1a5g s LEU 46 CO -0.00 -0.41 0.51 2.30 -1.32 0.00 0.00 176.35 177.43 1a5g n ILE 47 N 5.12 0.00 -3.82 6.68 -5.35 -0.60 -1.93 119.36 119.46 1a5g n ILE 47 Ca 0.02 -0.28 -0.03 0.00 -0.27 0.00 0.00 62.75 62.19 1a5g n ILE 47 Cb 0.49 1.03 0.02 0.00 -1.74 0.00 0.00 39.64 39.44 1a5g n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1a5g n SER 48 N -1.01 -1.52 -0.00 7.28 3.41 -1.22 -4.65 113.62 115.91 1a5g n SER 48 Ca 0.03 -1.82 0.15 0.00 -0.26 0.00 0.00 58.87 56.97 1a5g n SER 48 Cb 0.19 2.47 0.84 0.00 -0.26 0.00 0.00 64.21 67.45 1a5g n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1a5g n ASP 49 N -1.21 0.02 0.00 4.04 5.75 -1.26 -3.44 116.55 120.44 1a5g n ASP 49 Ca -0.02 -0.52 0.00 0.00 -0.01 0.00 0.00 54.79 54.24 1a5g n ASP 49 Cb 0.50 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1a5g n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1a5g n ARG 50 N -1.15 1.67 -5.25 0.11 1.74 -1.26 -0.17 116.66 112.35 1a5g n ARG 50 Ca 0.18 -0.22 -0.32 0.00 -0.77 0.00 0.00 57.85 56.73 1a5g n ARG 50 Cb 0.19 -0.66 -0.17 0.00 -1.02 0.00 0.00 32.46 30.80 1a5g n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1a5g s TRP 51 N -0.30 2.48 -0.03 -1.55 0.52 -1.22 -0.04 118.94 118.79 1a5g s TRP 51 Ca 0.00 -0.81 0.07 0.00 0.02 0.00 0.00 56.10 55.37 1a5g s TRP 51 Cb 0.00 -1.63 -0.02 0.00 -1.15 0.00 0.00 33.47 30.67 1a5g s TRP 51 CO 0.00 -0.27 -0.24 0.08 0.02 0.00 0.00 176.95 176.54 1a5g s VAL 52 N -0.02 2.23 -0.14 4.03 1.01 -0.55 -1.56 120.40 125.39 1a5g s VAL 52 Ca -0.08 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 60.84 1a5g s VAL 52 Cb -0.15 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1a5g s VAL 52 CO 0.05 0.58 -0.04 -0.22 0.00 0.00 0.00 175.10 175.47 1a5g s LEU 53 N -0.51 3.23 0.34 3.92 2.96 -0.63 -0.97 118.68 127.03 1a5g s LEU 53 Ca 0.07 -0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1a5g s LEU 53 Cb -0.11 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 44.81 1a5g s LEU 53 CO 0.00 0.21 0.45 0.28 -1.32 0.00 0.00 176.35 175.97 1a5g s THR 54 N 0.13 0.00 -0.06 3.68 -1.32 -0.50 -0.78 115.64 116.79 1a5g s THR 54 Ca -0.01 -1.65 -0.25 0.00 -1.21 0.00 0.00 61.69 58.57 1a5g s THR 54 Cb -0.14 -2.63 -0.03 0.00 -1.51 0.00 0.00 72.50 68.19 1a5g s THR 54 CO 0.03 0.00 0.78 0.00 -2.21 0.00 0.00 174.62 173.21 1a5g s ALA 55 N -3.07 3.31 0.44 11.08 0.00 -1.26 -1.20 121.76 131.06 1a5g s ALA 55 Ca 0.32 0.22 0.14 0.00 0.00 0.00 0.00 51.96 52.64 1a5g s ALA 55 Cb -0.00 -3.07 1.05 0.00 0.00 0.00 0.00 23.12 21.10 1a5g s ALA 55 CO 0.21 -0.18 1.99 0.00 0.00 0.00 0.00 175.76 177.78 1a5g h ALA 56 N 6.82 2.03 0.00 0.00 0.00 -1.70 -1.92 119.26 124.49 1a5g h ALA 56 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1a5g h ALA 56 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1a5g h ALA 56 CO 0.76 -0.15 0.00 1.12 0.00 0.00 0.00 179.25 180.98 1a5g h HIS 57 N 0.38 0.00 0.00 0.00 2.07 -1.89 -0.46 115.15 115.25 1a5g h HIS 57 Ca 0.26 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.76 1a5g h HIS 57 Cb 0.53 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.51 1a5g h HIS 57 CO -0.00 0.00 -0.10 0.00 -3.07 0.00 0.00 177.93 174.76 1a5g n LEU 59 N -3.23 2.84 -3.68 0.00 4.77 -0.29 -4.83 117.00 112.57 1a5g n LEU 59 Ca 0.01 -0.11 -0.22 0.00 -0.03 0.00 0.00 56.01 55.65 1a5g n LEU 59 Cb 0.38 -0.70 -0.18 0.00 -2.33 0.00 0.00 43.42 40.59 1a5g n LEU 59 CO 0.30 0.84 -0.35 -0.22 -1.33 0.00 0.00 177.39 176.64 1a5g s LEU 60 N -6.21 0.31 0.11 2.23 2.96 -0.58 0.15 118.68 117.66 1a5g s LEU 60 Ca -0.28 -0.12 -0.19 0.00 -0.22 0.00 0.00 54.13 53.31 1a5g s LEU 60 Cb 0.07 -0.24 0.05 0.00 0.50 0.00 0.00 46.19 46.57 1a5g s LEU 60 CO 0.51 -0.26 0.48 -0.47 -1.32 0.00 0.00 176.35 175.29 1a5g s TYR 60 N 2.11 -0.35 0.00 5.38 5.04 0.11 -4.13 117.35 125.51 1a5g s TYR 60 Ca 0.04 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.82 1a5g s TYR 60 Cb -0.13 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.54 1a5g s TYR 60 CO -0.05 -0.73 0.00 -2.30 -1.34 0.00 0.00 175.55 171.14 1a5g n PRO 60 N -0.11 0.00 -0.19 4.97 -0.02 -1.26 -1.59 135.00 136.80 1a5g n PRO 60 Ca -0.17 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.37 1a5g n PRO 60 Cb 0.63 -0.28 0.15 0.00 -0.02 0.00 0.00 33.50 33.98 1a5g n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1a5g n TRP 60 N -0.03 0.42 -2.70 6.00 8.01 -1.26 -4.98 117.44 122.91 1a5g n TRP 60 Ca 0.00 -0.67 -0.19 0.00 -1.31 0.00 0.00 57.50 55.34 1a5g n TRP 60 Cb 0.00 -0.12 0.02 0.00 -2.01 0.00 0.00 31.31 29.19 1a5g n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1a5g n ASP 60 N -0.24 -5.39 -4.43 -0.99 8.00 -1.08 -4.98 116.55 107.45 1a5g n ASP 60 Ca 0.12 -0.16 -0.39 0.00 0.71 0.00 0.00 54.79 55.07 1a5g n ASP 60 Cb 0.54 -4.31 -0.11 0.00 -0.02 0.00 0.00 41.12 37.21 1a5g n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1a5g s LYS 60 N -5.29 3.24 -0.43 -1.24 2.20 -0.62 -5.00 119.74 112.60 1a5g s LYS 60 Ca 0.16 -0.79 0.06 0.00 -0.36 0.00 0.00 55.97 55.04 1a5g s LYS 60 Cb -0.07 -3.63 0.20 0.00 -1.51 0.00 0.00 37.83 32.82 1a5g s LYS 60 CO 0.20 -0.48 0.50 -1.71 -0.36 0.00 0.00 175.35 173.50 1a5g n ASN 60 N 5.00 -0.93 -4.82 1.43 2.85 -1.22 0.08 115.26 117.65 1a5g n ASN 60 Ca -0.13 -2.63 -0.35 0.00 -0.11 0.00 0.00 54.58 51.36 1a5g n ASN 60 Cb 0.48 -0.04 -0.06 0.00 1.24 0.00 0.00 39.78 41.41 1a5g n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1a5g s PHE 60 N -0.14 3.59 0.43 1.20 0.08 0.40 -4.98 117.98 118.55 1a5g s PHE 60 Ca 0.33 1.37 0.07 0.00 0.12 0.00 0.00 56.93 58.82 1a5g s PHE 60 Cb 0.09 -2.61 -0.03 0.00 -0.57 0.00 0.00 43.02 39.90 1a5g s PHE 60 CO -0.16 0.28 0.31 0.95 -0.10 0.00 0.00 175.22 176.50 1a5g s THR 60 N -1.63 2.44 0.38 0.64 -4.23 -1.26 -4.86 115.64 107.12 1a5g s THR 60 Ca 0.46 -1.48 0.17 0.00 -1.18 0.00 0.00 61.69 59.66 1a5g s THR 60 Cb -0.15 -2.92 0.38 0.00 1.34 0.00 0.00 72.50 71.14 1a5g s THR 60 CO 0.20 0.00 1.72 -0.33 -0.54 0.00 0.00 174.62 175.67 1a5g h GLU 61 N 1.14 0.37 0.00 3.99 5.08 -1.94 0.11 114.58 123.33 1a5g h GLU 61 Ca -0.41 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1a5g h GLU 61 Cb 1.26 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1a5g h GLU 61 CO 0.62 0.24 -0.02 0.09 -1.00 0.00 0.00 179.01 178.94 1a5g n ASN 62 N -4.76 0.19 0.13 1.42 3.02 -1.26 -3.15 115.26 110.84 1a5g n ASN 62 Ca 0.28 0.49 -0.01 0.00 -0.03 0.00 0.00 54.58 55.31 1a5g n ASN 62 Cb 0.95 -0.53 0.12 0.00 -0.61 0.00 0.00 39.78 39.70 1a5g n ASN 62 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1a5g h ASP 63 N 0.00 0.00 -2.48 6.41 3.32 -1.36 -3.47 116.42 118.84 1a5g h ASP 63 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1a5g h ASP 63 Cb 0.55 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.96 1a5g h ASP 63 CO 0.00 0.65 -0.75 -0.76 -1.72 0.00 0.00 179.24 176.66 1a5g s LEU 64 N -7.15 2.58 -0.02 1.55 1.43 -1.19 -2.89 118.68 112.99 1a5g s LEU 64 Ca 0.00 -1.03 0.03 0.00 -1.03 0.00 0.00 54.13 52.11 1a5g s LEU 64 Cb 0.11 -0.98 -0.00 0.00 0.03 0.00 0.00 46.19 45.35 1a5g s LEU 64 CO 0.76 -0.02 -0.12 -0.76 0.23 0.00 0.00 176.35 176.44 1a5g s LEU 65 N -3.46 1.90 -0.13 1.79 1.02 -0.67 -4.30 118.68 114.84 1a5g s LEU 65 Ca 0.28 -0.24 -0.02 0.00 0.02 0.00 0.00 54.13 54.16 1a5g s LEU 65 Cb -0.04 -0.69 -0.03 0.00 0.02 0.00 0.00 46.19 45.45 1a5g s LEU 65 CO 0.13 0.12 -0.06 0.68 0.02 0.00 0.00 176.35 177.24 1a5g s VAL 66 N -0.03 3.75 -0.25 -1.59 -7.23 0.17 -0.25 120.40 114.97 1a5g s VAL 66 Ca -0.00 -0.42 -0.01 0.00 -1.81 0.00 0.00 61.98 59.74 1a5g s VAL 66 Cb -0.08 -2.61 0.03 0.00 0.56 0.00 0.00 36.38 34.28 1a5g s VAL 66 CO 0.00 0.52 -0.07 -0.13 -0.31 0.00 0.00 175.10 175.12 1a5g s ARG 67 N 0.11 2.73 0.00 4.82 0.52 -0.63 0.52 118.95 127.02 1a5g s ARG 67 Ca -0.02 -1.04 0.04 0.00 -0.52 0.00 0.00 55.73 54.19 1a5g s ARG 67 Cb -0.14 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 1a5g s ARG 67 CO 0.03 -0.43 -0.10 0.42 0.02 0.00 0.00 175.30 175.24 1a5g s ILE 68 N 1.29 3.42 0.00 1.52 1.01 0.17 -0.34 121.20 128.27 1a5g s ILE 68 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1a5g s ILE 68 Cb -0.17 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1a5g s ILE 68 CO -0.05 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1a5g n GLY 69 N 1.64 0.65 3.91 6.18 0.00 -1.26 -0.04 105.19 116.27 1a5g n GLY 69 Ca -0.16 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 1a5g n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5g s LYS 70 N -1.44 3.54 0.00 1.61 1.02 -1.26 -4.27 119.74 118.93 1a5g s LYS 70 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.09 1a5g s LYS 70 Cb 0.00 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1a5g s LYS 70 CO 0.00 -0.13 0.00 1.58 -0.92 0.00 0.00 175.35 175.88 1a5g n HIS 71 N -2.13 0.00 -2.55 3.18 -0.00 -1.26 -4.92 115.22 107.54 1a5g n HIS 71 Ca -0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 1a5g n HIS 71 Cb 0.55 0.31 -0.03 0.00 -0.00 0.00 0.00 29.99 30.82 1a5g n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1a5g s SER 72 N -4.83 7.25 0.08 0.26 0.15 -1.26 -0.04 113.70 115.32 1a5g s SER 72 Ca 0.00 1.94 -0.20 0.00 0.70 0.00 0.00 55.95 58.40 1a5g s SER 72 Cb 0.00 -2.59 -0.09 0.00 -1.71 0.00 0.00 66.02 61.63 1a5g s SER 72 CO 0.00 -0.29 1.56 -0.09 1.20 0.00 0.00 173.24 175.61 1a5g h ARG 73 N 6.07 0.36 0.00 5.44 2.43 -1.46 -3.40 114.38 123.82 1a5g h ARG 73 Ca -0.43 -0.09 -0.26 0.00 -0.81 0.00 0.00 59.98 58.39 1a5g h ARG 73 Cb 1.21 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 1a5g h ARG 73 CO 0.76 0.50 -1.98 0.25 -1.51 0.00 0.00 179.97 177.99 1a5g n THR 74 N -4.73 0.98 -1.94 0.20 -2.24 -1.26 -5.02 114.28 100.26 1a5g n THR 74 Ca -0.04 -0.55 -0.41 0.00 -2.27 0.00 0.00 64.05 60.78 1a5g n THR 74 Cb 0.19 -0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 67.67 1a5g n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1a5g s ARG 75 N -2.34 4.22 -0.97 -0.78 0.52 -1.26 -4.94 118.95 113.39 1a5g s ARG 75 Ca -0.11 2.41 -0.22 0.00 -0.52 0.00 0.00 55.73 57.30 1a5g s ARG 75 Cb 0.05 -3.02 0.08 0.00 0.52 0.00 0.00 34.95 32.57 1a5g s ARG 75 CO 0.54 -0.39 1.31 -0.47 0.02 0.00 0.00 175.30 176.31 1a5g s TYR 76 N -1.00 2.73 -0.30 -0.53 5.04 -1.26 -4.88 117.35 117.16 1a5g s TYR 76 Ca 0.52 -1.00 -0.21 0.00 -2.44 0.00 0.00 57.07 53.94 1a5g s TYR 76 Cb -0.44 -4.54 -0.22 0.00 0.35 0.00 0.00 41.96 37.11 1a5g s TYR 76 CO 0.57 -1.78 1.63 0.39 -1.34 0.00 0.00 175.55 175.02 1a5g n GLU 77 N 8.04 0.60 -1.66 4.97 1.02 -1.26 -4.93 120.64 127.42 1a5g n GLU 77 Ca 0.28 -1.19 -0.59 0.00 -0.02 0.00 0.00 57.16 55.63 1a5g n GLU 77 Cb 0.50 -2.53 -0.08 0.00 -0.02 0.00 0.00 31.44 29.32 1a5g n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1a5g n ARG 77 N 6.87 0.65 -0.66 3.49 0.63 -1.26 -0.72 116.66 125.66 1a5g n ARG 77 Ca 0.40 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.56 1a5g n ARG 77 Cb 0.32 -1.83 0.00 0.00 0.45 0.00 0.00 32.46 31.39 1a5g n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1a5g n ASN 78 N 3.76 0.00 -0.03 6.15 5.03 -1.26 -4.80 115.26 124.11 1a5g n ASN 78 Ca 0.25 0.00 -0.06 0.00 0.87 0.00 0.00 54.58 55.64 1a5g n ASN 78 Cb 0.08 -0.55 -0.02 0.00 -1.02 0.00 0.00 39.78 38.27 1a5g n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1a5g n ILE 79 N -2.00 1.33 -2.93 2.41 5.41 0.10 -5.05 119.36 118.63 1a5g n ILE 79 Ca 0.00 0.22 -0.35 0.00 1.00 0.00 0.00 62.75 63.62 1a5g n ILE 79 Cb 0.00 -1.97 -0.06 0.00 -0.71 0.00 0.00 39.64 36.89 1a5g n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1a5g s GLU 80 N -2.47 4.32 -0.13 0.38 -1.05 -0.57 -4.79 118.70 114.39 1a5g s GLU 80 Ca -0.16 1.05 0.01 0.00 -0.15 0.00 0.00 54.97 55.72 1a5g s GLU 80 Cb 0.03 -2.63 -0.01 0.00 -0.44 0.00 0.00 34.13 31.08 1a5g s GLU 80 CO 0.23 0.22 -0.16 0.15 0.95 0.00 0.00 175.26 176.65 1a5g s LYS 81 N -2.42 3.25 -0.36 -4.83 -0.14 0.94 -4.87 119.74 111.31 1a5g s LYS 81 Ca 0.51 -0.75 -0.09 0.00 -1.36 0.00 0.00 55.97 54.28 1a5g s LYS 81 Cb -0.15 -2.55 0.03 0.00 -1.68 0.00 0.00 37.83 33.49 1a5g s LYS 81 CO 0.20 0.14 0.16 0.42 -0.76 0.00 0.00 175.35 175.51 1a5g s ILE 82 N 0.50 4.25 0.36 2.17 1.01 -1.26 0.42 121.20 128.65 1a5g s ILE 82 Ca -0.11 -0.98 0.08 0.00 0.00 0.00 0.00 60.65 59.64 1a5g s ILE 82 Cb -0.16 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1a5g s ILE 82 CO 0.05 -0.22 0.15 -0.44 0.00 0.00 0.00 174.94 174.48 1a5g s SER 83 N 1.49 4.61 0.24 3.58 0.01 0.18 -4.93 113.70 118.88 1a5g s SER 83 Ca 0.00 -0.85 -0.04 0.00 1.31 0.00 0.00 55.95 56.38 1a5g s SER 83 Cb -0.19 -0.66 -0.05 0.00 0.21 0.00 0.00 66.02 65.33 1a5g s SER 83 CO 0.05 -0.36 0.48 -0.04 0.41 0.00 0.00 173.24 173.78 1a5g s MET 84 N -3.86 3.61 0.03 12.44 -1.94 -1.26 -0.66 119.30 127.66 1a5g s MET 84 Ca 0.39 -0.09 -0.03 0.00 -1.71 0.00 0.00 55.69 54.25 1a5g s MET 84 Cb -0.01 -2.73 -0.04 0.00 2.01 0.00 0.00 34.83 34.05 1a5g s MET 84 CO 0.23 0.32 0.23 -0.51 -0.01 0.00 0.00 175.02 175.27 1a5g s LEU 85 N -3.28 4.36 -0.20 -0.03 1.43 -1.26 -1.66 118.68 118.04 1a5g s LEU 85 Ca 0.42 0.39 0.06 0.00 -1.03 0.00 0.00 54.13 53.97 1a5g s LEU 85 Cb -0.11 -2.79 -0.22 0.00 0.03 0.00 0.00 46.19 43.10 1a5g s LEU 85 CO 0.28 0.21 0.06 1.21 0.23 0.00 0.00 176.35 178.34 1a5g n GLU 86 N 0.71 0.68 -3.65 1.70 2.13 0.24 -4.55 120.64 117.89 1a5g n GLU 86 Ca -0.08 0.14 -0.14 0.00 0.66 0.00 0.00 57.16 57.73 1a5g n GLU 86 Cb 0.52 -1.58 -0.08 0.00 0.27 0.00 0.00 31.44 30.57 1a5g n GLU 86 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1a5g s LYS 87 N -2.53 0.77 -0.10 5.31 -0.14 -1.11 -5.01 119.74 116.94 1a5g s LYS 87 Ca -0.22 0.84 -0.03 0.00 -1.36 0.00 0.00 55.97 55.21 1a5g s LYS 87 Cb 0.08 0.38 -0.03 0.00 -1.68 0.00 0.00 37.83 36.57 1a5g s LYS 87 CO 0.72 -0.11 0.01 0.42 -0.76 0.00 0.00 175.35 175.64 1a5g s ILE 88 N 0.22 4.40 -0.19 2.17 1.01 -1.26 -1.05 121.20 126.50 1a5g s ILE 88 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 1a5g s ILE 88 Cb -0.04 -2.87 0.05 0.00 0.01 0.00 0.00 42.46 39.62 1a5g s ILE 88 CO 0.02 0.59 -0.02 -0.31 0.00 0.00 0.00 174.94 175.22 1a5g s TYR 89 N -0.75 1.59 -0.04 3.97 1.51 -0.07 -5.00 117.35 118.57 1a5g s TYR 89 Ca 0.12 -1.14 -0.04 0.00 -1.01 0.00 0.00 57.07 55.00 1a5g s TYR 89 Cb -0.12 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 1a5g s TYR 89 CO 0.02 -0.64 0.17 0.42 -1.11 0.00 0.00 175.55 174.41 1a5g s ILE 90 N 1.67 5.42 0.17 2.71 1.01 -1.26 0.55 121.20 131.47 1a5g s ILE 90 Ca -0.02 -0.08 -0.32 0.00 0.00 0.00 0.00 60.65 60.24 1a5g s ILE 90 Cb -0.17 -3.49 -0.11 0.00 0.01 0.00 0.00 42.46 38.70 1a5g s ILE 90 CO -0.07 0.40 1.77 -2.28 0.00 0.00 0.00 174.94 174.75 1a5g s HIS 91 N -1.25 2.58 0.48 3.97 5.65 -0.98 -4.86 115.29 120.88 1a5g s HIS 91 Ca 0.24 0.19 0.17 0.00 0.25 0.00 0.00 55.06 55.91 1a5g s HIS 91 Cb -0.12 -4.16 1.17 0.00 -1.18 0.00 0.00 32.58 28.29 1a5g s HIS 91 CO 0.15 -4.55 2.02 -1.00 -0.65 0.00 0.00 174.74 170.72 1a5g h PRO 92 N 7.57 0.21 -0.65 2.88 0.13 -1.94 -2.46 132.00 137.75 1a5g h PRO 92 Ca -0.44 -0.01 -0.32 0.00 -0.87 0.00 0.00 66.00 64.35 1a5g h PRO 92 Cb 1.21 -0.05 -0.19 0.00 0.13 0.00 0.00 31.00 32.10 1a5g h PRO 92 CO 0.95 0.14 0.25 0.54 -0.23 0.00 0.00 178.00 179.66 1a5g n ARG 93 N -4.46 2.14 -1.94 0.86 1.74 -1.26 -4.96 116.66 108.77 1a5g n ARG 93 Ca 0.07 -3.10 -0.42 0.00 -0.77 0.00 0.00 57.85 53.62 1a5g n ARG 93 Cb 0.36 -1.99 -0.03 0.00 -1.02 0.00 0.00 32.46 29.78 1a5g n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1a5g s TYR 94 N -3.25 2.97 -0.96 -1.55 5.04 -0.93 -4.67 117.35 114.01 1a5g s TYR 94 Ca 0.50 0.59 -0.10 0.00 -2.44 0.00 0.00 57.07 55.62 1a5g s TYR 94 Cb 0.44 -3.93 0.24 0.00 0.35 0.00 0.00 41.96 39.07 1a5g s TYR 94 CO 0.05 -3.46 0.91 1.21 -1.34 0.00 0.00 175.55 172.93 1a5g s ASN 95 N 1.34 6.87 0.00 4.32 3.84 0.01 -4.87 114.94 126.46 1a5g s ASN 95 Ca 0.70 -3.23 0.31 0.00 0.21 0.00 0.00 52.86 50.85 1a5g s ASN 95 Cb -0.43 -2.16 1.65 0.00 -0.55 0.00 0.00 41.25 39.76 1a5g s ASN 95 CO 0.31 -0.39 2.10 -2.67 -2.79 0.00 0.00 177.10 173.67 1a5g n TRP 96 N 3.18 0.00 0.05 0.43 4.27 -1.26 -1.40 117.44 122.71 1a5g n TRP 96 Ca 0.19 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.66 1a5g n TRP 96 Cb 0.42 -0.14 -0.14 0.00 -1.36 0.00 0.00 31.31 30.09 1a5g n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1a5g h ARG 97 N 0.12 0.16 0.00 -2.67 3.08 -1.99 -3.45 114.38 109.64 1a5g h ARG 97 Ca 0.00 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1a5g h ARG 97 Cb 0.18 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1a5g h ARG 97 CO 0.00 1.00 -0.12 -1.91 -1.07 0.00 0.00 179.97 177.87 1a5g n GLU 97 N -3.38 0.07 -0.52 0.04 2.13 -1.25 -4.99 120.64 112.74 1a5g n GLU 97 Ca -0.13 0.03 0.02 0.00 0.66 0.00 0.00 57.16 57.74 1a5g n GLU 97 Cb 1.02 -0.41 0.03 0.00 0.27 0.00 0.00 31.44 32.36 1a5g n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1a5g n ASN 98 N -3.01 0.50 -2.24 4.31 6.94 -1.24 -4.97 115.26 115.55 1a5g n ASN 98 Ca -0.02 -2.21 -0.20 0.00 -0.02 0.00 0.00 54.58 52.13 1a5g n ASN 98 Cb 0.06 -0.25 -0.02 0.00 -2.36 0.00 0.00 39.78 37.21 1a5g n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1a5g n LEU 99 N -0.21 -1.88 -4.73 -4.53 4.77 -0.49 -4.94 117.00 104.99 1a5g n LEU 99 Ca 0.03 0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 1a5g n LEU 99 Cb 0.73 -2.89 -0.02 0.00 -2.33 0.00 0.00 43.42 38.91 1a5g n LEU 99 CO -0.00 -0.32 1.24 -0.67 -1.33 0.00 0.00 177.39 176.30 1a5g n ASP 100 N -1.84 3.72 -3.05 -1.43 2.03 -1.23 -2.75 116.55 112.00 1a5g n ASP 100 Ca -0.24 1.13 -0.18 0.00 0.52 0.00 0.00 54.79 56.02 1a5g n ASP 100 Cb 0.68 -1.56 0.07 0.00 -0.72 0.00 0.00 41.12 39.59 1a5g n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1a5g n ARG 101 N 2.49 -6.21 -2.34 -0.67 1.74 -1.26 -0.81 116.66 109.59 1a5g n ARG 101 Ca 0.10 0.69 -0.39 0.00 -0.77 0.00 0.00 57.85 57.49 1a5g n ARG 101 Cb 0.35 -5.30 -0.02 0.00 -1.02 0.00 0.00 32.46 26.48 1a5g n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1a5g n ASP 102 N -2.43 4.30 -3.80 0.55 2.03 -1.11 -4.41 116.55 111.68 1a5g n ASP 102 Ca -0.08 -2.85 -0.13 0.00 0.52 0.00 0.00 54.79 52.25 1a5g n ASP 102 Cb 0.58 -1.72 -0.11 0.00 -0.72 0.00 0.00 41.12 39.15 1a5g n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1a5g s ILE 103 N 5.99 0.02 -0.00 5.18 2.07 -1.26 -3.71 121.20 129.49 1a5g s ILE 103 Ca 0.57 -0.17 -0.12 0.00 -1.41 0.00 0.00 60.65 59.52 1a5g s ILE 103 Cb 0.04 -0.41 0.01 0.00 0.13 0.00 0.00 42.46 42.24 1a5g s ILE 103 CO 0.08 -0.09 0.24 0.00 -1.91 0.00 0.00 174.94 173.26 1a5g s ALA 104 N -0.30 -0.59 0.07 1.50 0.00 -0.34 -2.32 121.76 119.78 1a5g s ALA 104 Ca -0.04 0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.09 1a5g s ALA 104 Cb -0.03 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1a5g s ALA 104 CO 0.01 -0.25 -0.10 -0.51 0.00 0.00 0.00 175.76 174.90 1a5g s LEU 105 N -1.43 3.01 -0.07 0.00 1.43 0.19 -1.42 118.68 120.40 1a5g s LEU 105 Ca -0.13 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1a5g s LEU 105 Cb -0.06 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.39 1a5g s LEU 105 CO 0.03 0.22 -0.11 -0.04 0.23 0.00 0.00 176.35 176.68 1a5g s MET 106 N -1.88 1.60 -0.24 1.70 -1.94 -0.14 -0.89 119.30 117.51 1a5g s MET 106 Ca 0.19 -0.36 -0.10 0.00 -1.71 0.00 0.00 55.69 53.71 1a5g s MET 106 Cb -0.11 -1.40 -0.05 0.00 2.01 0.00 0.00 34.83 35.28 1a5g s MET 106 CO 0.11 -0.05 0.16 0.21 -0.01 0.00 0.00 175.02 175.44 1a5g s LYS 107 N 0.91 4.06 0.43 2.03 2.20 -0.21 -1.49 119.74 127.67 1a5g s LYS 107 Ca -0.10 -0.28 -0.16 0.00 -0.36 0.00 0.00 55.97 55.08 1a5g s LYS 107 Cb -0.15 -3.54 -0.08 0.00 -1.51 0.00 0.00 37.83 32.55 1a5g s LYS 107 CO 0.01 0.05 0.88 -0.51 -0.36 0.00 0.00 175.35 175.41 1a5g s LEU 108 N 1.09 3.82 0.23 5.43 1.43 0.94 0.82 118.68 132.45 1a5g s LEU 108 Ca 0.07 1.43 -0.09 0.00 -1.03 0.00 0.00 54.13 54.52 1a5g s LEU 108 Cb -0.14 -4.31 0.37 0.00 0.03 0.00 0.00 46.19 42.14 1a5g s LEU 108 CO 0.05 -0.42 1.64 0.50 0.23 0.00 0.00 176.35 178.35 1a5g h LYS 109 N 1.46 0.09 -3.98 1.70 1.63 -1.56 -3.41 116.57 112.50 1a5g h LYS 109 Ca -0.48 -0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.21 1a5g h LYS 109 Cb 1.18 -0.02 -0.15 0.00 -0.60 0.00 0.00 32.23 32.64 1a5g h LYS 109 CO 0.63 0.06 -0.53 0.15 -3.45 0.00 0.00 179.45 176.31 1a5g s LYS 110 N -6.14 0.69 0.33 1.90 1.02 -1.26 -4.96 119.74 111.31 1a5g s LYS 110 Ca -0.14 -1.02 -0.28 0.00 0.02 0.00 0.00 55.97 54.55 1a5g s LYS 110 Cb 0.21 0.26 -0.10 0.00 -0.52 0.00 0.00 37.83 37.69 1a5g s LYS 110 CO 0.75 -0.18 1.20 -1.25 -0.92 0.00 0.00 175.35 174.95 1a5g s PRO 111 N -3.61 4.40 0.29 -1.68 0.04 -1.26 -4.81 135.00 128.38 1a5g s PRO 111 Ca 0.04 1.98 -0.04 0.00 0.04 0.00 0.00 61.00 63.01 1a5g s PRO 111 Cb 0.05 -3.03 -0.05 0.00 0.04 0.00 0.00 34.50 31.51 1a5g s PRO 111 CO -0.09 -0.06 0.55 0.54 0.04 0.00 0.00 177.00 177.98 1a5g s VAL 112 N -1.21 5.03 -0.11 -0.36 0.11 0.76 -5.00 120.40 119.63 1a5g s VAL 112 Ca 0.49 0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 59.46 1a5g s VAL 112 Cb -0.35 -3.74 -0.05 0.00 -1.53 0.00 0.00 36.38 30.71 1a5g s VAL 112 CO 0.45 -0.34 0.21 0.00 -3.33 0.00 0.00 175.10 172.09 1a5g s ALA 113 N -2.11 3.79 0.81 1.54 0.00 -1.26 -4.78 121.76 119.75 1a5g s ALA 113 Ca 0.44 -0.54 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 1a5g s ALA 113 Cb -0.11 -2.13 0.08 0.00 0.00 0.00 0.00 23.12 20.97 1a5g s ALA 113 CO 0.31 0.47 1.11 -0.06 0.00 0.00 0.00 175.76 177.59 1a5g s PHE 114 N -0.68 2.29 0.05 0.00 0.08 -1.26 -4.91 117.98 113.55 1a5g s PHE 114 Ca 0.16 1.63 -0.07 0.00 0.12 0.00 0.00 56.93 58.77 1a5g s PHE 114 Cb -0.13 -3.15 0.02 0.00 -0.57 0.00 0.00 43.02 39.20 1a5g s PHE 114 CO 0.05 -2.10 0.32 -1.13 -0.10 0.00 0.00 175.22 172.26 1a5g n SER 115 N -3.66 -0.52 0.16 1.36 3.41 -0.34 -4.95 113.62 109.07 1a5g n SER 115 Ca 0.10 -1.27 0.04 0.00 -0.26 0.00 0.00 58.87 57.49 1a5g n SER 115 Cb 0.53 0.85 0.47 0.00 -0.26 0.00 0.00 64.21 65.80 1a5g n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1a5g h ASP 116 N 0.60 0.16 0.20 4.04 3.32 -1.98 -3.23 116.42 119.52 1a5g h ASP 116 Ca -0.08 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1a5g h ASP 116 Cb 0.36 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1a5g h ASP 116 CO 0.11 0.25 -1.70 -1.22 -1.72 0.00 0.00 179.24 174.96 1a5g n TYR 117 N -4.37 0.19 -4.04 4.55 4.01 -1.26 -4.70 117.16 111.54 1a5g n TYR 117 Ca -0.01 0.05 -0.32 0.00 -0.16 0.00 0.00 57.90 57.47 1a5g n TYR 117 Cb 0.20 -0.55 -0.15 0.00 -0.31 0.00 0.00 39.34 38.53 1a5g n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1a5g s ILE 118 N -3.44 1.98 -0.27 -0.72 1.01 -1.22 -4.21 121.20 114.33 1a5g s ILE 118 Ca -0.05 -1.45 -0.25 0.00 0.00 0.00 0.00 60.65 58.91 1a5g s ILE 118 Cb 0.13 -2.10 0.08 0.00 0.01 0.00 0.00 42.46 40.58 1a5g s ILE 118 CO 0.88 0.01 0.76 -2.28 0.00 0.00 0.00 174.94 174.31 1a5g s HIS 119 N 1.20 -0.76 0.61 3.97 2.46 -0.71 -1.20 115.29 120.86 1a5g s HIS 119 Ca -0.07 1.84 -0.15 0.00 0.47 0.00 0.00 55.06 57.16 1a5g s HIS 119 Cb -0.19 0.29 -0.03 0.00 -0.13 0.00 0.00 32.58 32.52 1a5g s HIS 119 CO -0.06 -0.37 1.05 -2.14 -2.47 0.00 0.00 174.74 170.75 1a5g s PRO 120 N 0.41 3.28 0.27 2.88 0.02 -1.26 -2.55 135.00 138.05 1a5g s PRO 120 Ca 0.00 1.12 0.05 0.00 0.02 0.00 0.00 61.00 62.19 1a5g s PRO 120 Cb -0.05 -2.03 -0.02 0.00 0.02 0.00 0.00 34.50 32.41 1a5g s PRO 120 CO -0.01 -0.83 0.41 0.54 -0.33 0.00 0.00 177.00 176.77 1a5g s VAL 121 N -2.61 4.93 0.17 3.83 0.11 -0.81 -4.90 120.40 121.11 1a5g s VAL 121 Ca 0.62 -0.95 -0.11 0.00 -2.93 0.00 0.00 61.98 58.61 1a5g s VAL 121 Cb -0.15 -3.74 -0.07 0.00 -1.53 0.00 0.00 36.38 30.89 1a5g s VAL 121 CO 0.41 -0.30 0.51 0.00 -3.33 0.00 0.00 175.10 172.38 1a5g s LEU 123 N -2.34 4.44 0.70 0.00 1.43 -1.26 -0.41 118.68 121.24 1a5g s LEU 123 Ca 0.41 1.03 -0.14 0.00 -1.03 0.00 0.00 54.13 54.40 1a5g s LEU 123 Cb -0.13 -2.85 0.02 0.00 0.03 0.00 0.00 46.19 43.26 1a5g s LEU 123 CO 0.20 0.25 1.11 -2.16 0.23 0.00 0.00 176.35 175.98 1a5g s PRO 124 N -1.38 2.57 0.29 1.29 0.04 -1.26 -4.90 135.00 131.64 1a5g s PRO 124 Ca 0.29 1.37 0.09 0.00 0.04 0.00 0.00 61.00 62.79 1a5g s PRO 124 Cb -0.17 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1a5g s PRO 124 CO 0.17 -1.43 0.06 0.16 0.04 0.00 0.00 177.00 176.00 1a5g s ASP 125 N -2.73 4.69 0.29 6.66 -4.77 -1.26 -4.93 116.67 114.62 1a5g s ASP 125 Ca 0.66 -0.64 0.02 0.00 -3.30 0.00 0.00 52.55 49.29 1a5g s ASP 125 Cb -0.20 -0.88 0.71 0.00 -1.09 0.00 0.00 42.92 41.47 1a5g s ASP 125 CO 0.46 -0.09 1.65 -0.09 0.70 0.00 0.00 175.17 177.79 1a5g h ARG 126 N 1.75 0.20 0.00 2.11 2.43 -1.97 -2.27 114.38 116.62 1a5g h ARG 126 Ca -0.45 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 58.47 1a5g h ARG 126 Cb 1.25 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 1a5g h ARG 126 CO 0.61 0.13 -1.36 0.93 -1.51 0.00 0.00 179.97 178.78 1a5g h GLU 127 N 0.21 0.00 -0.26 0.20 4.39 -2.04 -2.37 114.58 114.71 1a5g h GLU 127 Ca 0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.25 1a5g h GLU 127 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1a5g h GLU 127 CO -0.66 0.66 0.00 2.41 -1.16 0.00 0.00 179.01 180.27 1a5g n THR 128 N -3.15 0.00 0.00 1.13 -1.04 -0.85 -1.32 114.28 109.04 1a5g n THR 128 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1a5g n THR 128 Cb 0.98 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.43 1a5g n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a5g n ALA 129 N 0.53 0.00 0.13 2.41 0.00 -0.90 -1.41 120.51 121.27 1a5g n ALA 129 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1a5g n ALA 129 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1a5g n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a5g h SER 129 N 0.00 0.00 0.10 0.00 4.64 -1.50 -3.38 113.55 113.40 1a5g h SER 129 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1a5g h SER 129 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 1a5g h SER 129 CO 0.00 0.47 -2.26 0.18 -0.87 0.00 0.00 176.83 174.35 1a5g n LEU 129 N -3.17 0.27 -4.15 5.97 4.77 -0.50 -4.65 117.00 115.54 1a5g n LEU 129 Ca 0.01 0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 1a5g n LEU 129 Cb 0.73 0.38 -0.00 0.00 -2.33 0.00 0.00 43.42 42.20 1a5g n LEU 129 CO 0.40 0.49 2.32 0.18 -1.33 0.00 0.00 177.39 179.46 1a5g n LEU 130 N -2.83 5.85 -3.99 2.23 4.77 -1.26 -4.82 117.00 116.96 1a5g n LEU 130 Ca -0.30 -4.01 -0.22 0.00 -0.03 0.00 0.00 56.01 51.44 1a5g n LEU 130 Cb 1.13 -1.70 -0.16 0.00 -2.33 0.00 0.00 43.42 40.36 1a5g n LEU 130 CO 0.43 0.59 -0.45 -1.10 -1.33 0.00 0.00 177.39 175.53 1a5g s GLN 131 N 3.76 1.32 0.26 3.23 -0.21 -1.26 -4.95 119.66 121.80 1a5g s GLN 131 Ca 0.51 -0.31 -0.30 0.00 0.02 0.00 0.00 55.36 55.28 1a5g s GLN 131 Cb 0.09 -1.15 -0.14 0.00 1.00 0.00 0.00 33.01 32.80 1a5g s GLN 131 CO -0.00 0.02 1.12 0.00 -2.12 0.00 0.00 175.29 174.31 1a5g n ALA 132 N 3.75 -0.06 0.00 6.09 0.00 -1.26 -0.21 120.51 128.82 1a5g n ALA 132 Ca -0.23 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1a5g n ALA 132 Cb 0.52 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1a5g n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5g n GLY 133 N 1.49 3.11 3.78 0.00 0.00 0.19 -4.93 105.19 108.84 1a5g n GLY 133 Ca 0.11 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 1a5g n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a5g s TYR 134 N -0.99 2.80 0.07 1.61 1.51 0.70 -4.57 117.35 118.48 1a5g s TYR 134 Ca 0.00 1.56 0.01 0.00 -1.01 0.00 0.00 57.07 57.63 1a5g s TYR 134 Cb 0.00 -3.22 -0.04 0.00 -0.11 0.00 0.00 41.96 38.59 1a5g s TYR 134 CO 0.00 -1.31 0.14 0.15 -1.11 0.00 0.00 175.55 173.42 1a5g s LYS 135 N -3.21 3.16 0.40 -0.62 1.02 -1.26 -0.72 119.74 118.51 1a5g s LYS 135 Ca 0.70 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 56.17 1a5g s LYS 135 Cb -0.22 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 1a5g s LYS 135 CO 0.25 0.59 0.08 0.20 -0.92 0.00 0.00 175.35 175.55 1a5g s GLY 136 N -2.41 2.51 -0.04 -3.33 0.00 -0.95 -4.87 107.32 98.23 1a5g s GLY 136 Ca 0.32 -1.41 0.05 0.00 0.00 0.00 0.00 44.72 43.67 1a5g s GLY 136 CO 0.24 -1.91 -0.19 -1.60 0.00 0.00 0.00 173.10 169.65 1a5g s ARG 137 N -3.80 1.91 0.04 2.90 3.52 -0.41 -1.11 118.95 122.00 1a5g s ARG 137 Ca 0.25 -0.67 0.08 0.00 -0.13 0.00 0.00 55.73 55.26 1a5g s ARG 137 Cb 0.05 -1.66 -0.03 0.00 -1.56 0.00 0.00 34.95 31.75 1a5g s ARG 137 CO 0.13 0.28 -0.21 0.08 -0.81 0.00 0.00 175.30 174.77 1a5g s VAL 138 N -0.04 2.52 0.07 7.11 1.01 0.30 -1.14 120.40 130.23 1a5g s VAL 138 Ca -0.03 -1.24 0.03 0.00 0.00 0.00 0.00 61.98 60.74 1a5g s VAL 138 Cb -0.12 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1a5g s VAL 138 CO 0.02 0.37 -0.10 0.42 0.00 0.00 0.00 175.10 175.81 1a5g s THR 139 N -0.86 0.81 0.00 3.92 -4.23 -1.23 -1.94 115.64 112.12 1a5g s THR 139 Ca 0.13 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 1a5g s THR 139 Cb -0.10 -1.02 0.00 0.00 1.34 0.00 0.00 72.50 72.71 1a5g s THR 139 CO 0.04 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1a5g n GLY 140 N 1.04 1.51 1.47 3.99 0.00 -0.97 -4.59 105.19 107.63 1a5g n GLY 140 Ca -0.20 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.07 1a5g n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1a5g n TRP 141 N -0.43 1.45 -1.37 1.61 8.01 -1.26 -2.85 117.44 122.60 1a5g n TRP 141 Ca 0.00 -0.52 -0.30 0.00 -1.31 0.00 0.00 57.50 55.38 1a5g n TRP 141 Cb 0.00 -0.35 0.20 0.00 -2.01 0.00 0.00 31.31 29.15 1a5g n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1a5g s GLY 142 N -0.64 1.63 0.61 6.99 0.00 -1.26 -4.53 107.32 110.12 1a5g s GLY 142 Ca 0.40 -0.88 -0.18 0.00 0.00 0.00 0.00 44.72 44.06 1a5g s GLY 142 CO 0.14 -0.10 1.02 0.70 0.00 0.00 0.00 173.10 174.85 1a5g n ASN 143 N -4.31 0.97 0.08 1.64 3.02 -0.35 -3.01 115.26 113.30 1a5g n ASN 143 Ca 0.12 0.81 0.11 0.00 -0.03 0.00 0.00 54.58 55.58 1a5g n ASN 143 Cb 0.59 -1.42 -0.03 0.00 -0.61 0.00 0.00 39.78 38.32 1a5g n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1a5g n LEU 144 N -0.96 0.73 -3.93 3.41 4.77 0.40 0.01 117.00 121.44 1a5g n LEU 144 Ca 0.14 0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 56.30 1a5g n LEU 144 Cb 0.47 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1a5g n LEU 144 CO 0.49 -0.14 -0.26 -0.54 -1.33 0.00 0.00 177.39 175.61 1a5g s LYS 145 N -3.36 0.42 0.00 3.23 1.02 -1.26 -4.30 119.74 115.50 1a5g s LYS 145 Ca -0.02 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.43 1a5g s LYS 145 Cb 0.10 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.58 1a5g s LYS 145 CO 0.81 -0.09 0.21 -1.91 -0.92 0.00 0.00 175.35 173.45 1a5g n GLU 146 N 1.41 0.23 -0.08 1.68 2.13 -1.26 -4.96 120.64 119.80 1a5g n GLU 146 Ca -0.23 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.59 1a5g n GLU 146 Cb 0.56 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.93 1a5g n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a5g n GLY 150 N 0.79 1.16 3.52 8.31 0.00 -1.26 -4.98 105.19 112.72 1a5g n GLY 150 Ca 0.00 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 1a5g n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a5g s GLN 151 N 1.67 3.74 1.01 1.61 -0.21 -1.26 0.15 119.66 126.38 1a5g s GLN 151 Ca 0.00 -0.47 -0.12 0.00 0.02 0.00 0.00 55.36 54.79 1a5g s GLN 151 Cb 0.00 -3.07 0.20 0.00 1.00 0.00 0.00 33.01 31.13 1a5g s GLN 151 CO 0.00 0.15 1.08 -1.25 -2.12 0.00 0.00 175.29 173.15 1a5g s PRO 152 N 0.64 0.29 -0.10 2.91 0.04 -1.26 -4.98 135.00 132.54 1a5g s PRO 152 Ca 0.00 0.62 0.15 0.00 0.04 0.00 0.00 61.00 61.81 1a5g s PRO 152 Cb -0.14 -1.71 -0.24 0.00 0.04 0.00 0.00 34.50 32.45 1a5g s PRO 152 CO 0.02 -2.85 0.44 0.45 0.04 0.00 0.00 177.00 175.10 1a5g n SER 153 N -4.27 0.54 -4.24 6.66 2.88 -1.26 -4.75 113.62 109.18 1a5g n SER 153 Ca 0.05 0.26 -0.13 0.00 -1.33 0.00 0.00 58.87 57.71 1a5g n SER 153 Cb 0.56 0.35 -0.10 0.00 -0.75 0.00 0.00 64.21 64.27 1a5g n SER 153 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1a5g s VAL 154 N -2.56 0.45 0.36 2.46 -7.23 -1.26 -1.22 120.40 111.40 1a5g s VAL 154 Ca -0.07 -1.97 -0.26 0.00 -1.81 0.00 0.00 61.98 57.87 1a5g s VAL 154 Cb 0.07 -2.30 -0.12 0.00 0.56 0.00 0.00 36.38 34.59 1a5g s VAL 154 CO 0.83 -0.28 1.05 -0.11 -0.31 0.00 0.00 175.10 176.28 1a5g n LEU 155 N -0.28 2.47 -4.56 1.32 7.94 0.94 -4.78 117.00 120.05 1a5g n LEU 155 Ca -0.03 1.11 -0.25 0.00 -1.11 0.00 0.00 56.01 55.73 1a5g n LEU 155 Cb 0.64 -1.35 -0.09 0.00 0.53 0.00 0.00 43.42 43.15 1a5g n LEU 155 CO 0.34 -1.29 -0.41 -1.10 -1.11 0.00 0.00 177.39 173.82 1a5g s GLN 156 N -1.83 2.02 0.06 1.96 -1.52 -1.13 -0.48 119.66 118.73 1a5g s GLN 156 Ca 0.60 -1.40 0.01 0.00 -1.95 0.00 0.00 55.36 52.62 1a5g s GLN 156 Cb -0.61 -2.08 -0.03 0.00 -0.22 0.00 0.00 33.01 30.07 1a5g s GLN 156 CO 0.59 0.40 -0.06 0.08 -0.25 0.00 0.00 175.29 176.05 1a5g s VAL 157 N -1.98 0.44 -0.05 1.09 1.01 -0.34 -2.30 120.40 118.26 1a5g s VAL 157 Ca 0.27 -1.44 -0.17 0.00 0.00 0.00 0.00 61.98 60.64 1a5g s VAL 157 Cb -0.08 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.30 1a5g s VAL 157 CO 0.16 -0.67 0.38 0.54 0.00 0.00 0.00 175.10 175.51 1a5g s VAL 158 N -2.55 0.04 -0.17 2.92 0.11 -0.82 -1.84 120.40 118.09 1a5g s VAL 158 Ca -0.01 -0.31 -0.04 0.00 -2.93 0.00 0.00 61.98 58.69 1a5g s VAL 158 Cb -0.02 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1a5g s VAL 158 CO -0.03 -0.17 -0.02 0.20 -3.33 0.00 0.00 175.10 171.74 1a5g s ASN 159 N -0.97 4.80 0.02 3.54 0.01 -1.26 -0.54 114.94 120.54 1a5g s ASN 159 Ca -0.10 -0.16 0.01 0.00 -0.71 0.00 0.00 52.86 51.90 1a5g s ASN 159 Cb -0.04 -1.80 -0.02 0.00 0.41 0.00 0.00 41.25 39.80 1a5g s ASN 159 CO 0.04 0.13 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.96 1a5g s LEU 160 N 0.60 2.21 0.48 0.60 1.43 -0.26 -4.94 118.68 118.80 1a5g s LEU 160 Ca -0.02 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 52.44 1a5g s LEU 160 Cb -0.14 0.01 -0.09 0.00 0.03 0.00 0.00 46.19 45.99 1a5g s LEU 160 CO 0.02 -0.23 0.97 -2.16 0.23 0.00 0.00 176.35 175.18 1a5g s PRO 161 N -1.30 4.07 0.18 1.29 0.04 -1.26 -2.24 135.00 135.78 1a5g s PRO 161 Ca -0.12 1.04 -0.30 0.00 0.04 0.00 0.00 61.00 61.66 1a5g s PRO 161 Cb -0.09 -2.15 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 1a5g s PRO 161 CO -0.01 -0.17 1.05 0.42 0.04 0.00 0.00 177.00 178.33 1a5g s ILE 162 N -2.40 4.00 0.01 0.56 1.01 0.10 -1.98 121.20 122.50 1a5g s ILE 162 Ca 0.61 1.78 -0.01 0.00 0.00 0.00 0.00 60.65 63.02 1a5g s ILE 162 Cb -0.10 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 1a5g s ILE 162 CO 0.23 0.33 0.12 -0.69 0.00 0.00 0.00 174.94 174.93 1a5g s VAL 163 N -0.40 4.99 0.41 2.92 1.01 -0.91 0.54 120.40 128.95 1a5g s VAL 163 Ca 0.47 -0.36 -0.27 0.00 0.00 0.00 0.00 61.98 61.82 1a5g s VAL 163 Cb -0.28 -3.33 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 1a5g s VAL 163 CO 0.34 0.30 1.43 -0.62 0.00 0.00 0.00 175.10 176.55 1a5g n GLU 164 N 0.97 2.40 -0.31 2.72 4.71 -1.26 -4.62 120.64 125.24 1a5g n GLU 164 Ca -0.11 0.85 0.08 0.00 -0.01 0.00 0.00 57.16 57.96 1a5g n GLU 164 Cb 0.52 -2.60 0.24 0.00 -1.01 0.00 0.00 31.44 28.59 1a5g n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a5g h ARG 165 N 2.59 0.68 -0.28 3.49 3.08 -1.98 -1.53 114.38 120.43 1a5g h ARG 165 Ca -0.50 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.51 1a5g h ARG 165 Cb 1.26 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1a5g h ARG 165 CO 0.62 0.45 0.16 -1.35 -1.07 0.00 0.00 179.97 178.79 1a5g h PRO 166 N 0.70 0.39 -0.68 0.04 0.11 -1.99 0.28 132.00 130.84 1a5g h PRO 166 Ca 0.48 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.52 1a5g h PRO 166 Cb 0.65 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.65 1a5g h PRO 166 CO -0.35 0.31 0.31 0.28 -0.21 0.00 0.00 178.00 178.35 1a5g h VAL 167 N 0.35 1.22 0.02 3.15 2.07 -1.76 -0.89 116.25 120.42 1a5g h VAL 167 Ca 0.10 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1a5g h VAL 167 Cb 0.03 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1a5g h VAL 167 CO -0.02 0.27 -0.01 0.00 0.02 0.00 0.00 177.57 177.83 1a5g h LYS 169 N -0.28 0.67 0.00 0.00 1.57 -0.47 -2.93 116.57 115.13 1a5g h LYS 169 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1a5g h LYS 169 Cb 0.27 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1a5g h LYS 169 CO 0.00 0.45 0.00 -0.25 -0.57 0.00 0.00 179.45 179.08 1a5g n ASP 170 N -4.77 0.00 0.01 0.86 9.92 -0.38 -2.48 116.55 119.70 1a5g n ASP 170 Ca 0.08 0.06 0.11 0.00 -0.53 0.00 0.00 54.79 54.50 1a5g n ASP 170 Cb 0.15 -0.27 -0.03 0.00 -0.64 0.00 0.00 41.12 40.33 1a5g n ASP 170 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1a5g n SER 171 N -1.27 0.70 -3.93 -2.24 3.41 -1.11 -4.99 113.62 104.19 1a5g n SER 171 Ca 0.07 -0.53 -0.10 0.00 -0.26 0.00 0.00 58.87 58.05 1a5g n SER 171 Cb 0.11 0.93 -0.07 0.00 -0.26 0.00 0.00 64.21 64.93 1a5g n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1a5g s THR 172 N -3.12 0.06 -0.29 6.66 -1.32 -1.03 -4.90 115.64 111.70 1a5g s THR 172 Ca 0.05 -1.31 0.23 0.00 -1.21 0.00 0.00 61.69 59.45 1a5g s THR 172 Cb 0.15 -1.81 -0.06 0.00 -1.51 0.00 0.00 72.50 69.27 1a5g s THR 172 CO 0.83 -0.27 0.98 0.54 -2.21 0.00 0.00 174.62 174.49 1a5g n ARG 173 N -0.24 0.55 -2.16 7.08 1.74 -1.26 -4.92 116.66 117.44 1a5g n ARG 173 Ca -0.08 0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 56.65 1a5g n ARG 173 Cb 0.63 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 1a5g n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a5g s ILE 174 N -3.35 2.95 -0.07 0.55 1.01 -1.26 -4.98 121.20 116.05 1a5g s ILE 174 Ca -0.01 0.85 -0.30 0.00 0.00 0.00 0.00 60.65 61.20 1a5g s ILE 174 Cb 0.11 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1a5g s ILE 174 CO 0.80 0.16 1.33 -0.60 0.00 0.00 0.00 174.94 176.63 1a5g s ARG 175 N -0.87 4.28 -0.09 2.79 3.52 -1.26 -5.01 118.95 122.30 1a5g s ARG 175 Ca 0.53 1.81 -0.17 0.00 -0.13 0.00 0.00 55.73 57.78 1a5g s ARG 175 Cb -0.38 -3.67 -0.05 0.00 -1.56 0.00 0.00 34.95 29.30 1a5g s ARG 175 CO 0.45 -0.60 0.44 0.42 -0.81 0.00 0.00 175.30 175.19 1a5g s ILE 176 N 2.83 5.16 0.51 4.11 -1.09 -1.26 -4.84 121.20 126.61 1a5g s ILE 176 Ca 0.60 0.88 0.04 0.00 -2.23 0.00 0.00 60.65 59.94 1a5g s ILE 176 Cb -0.27 -3.77 0.01 0.00 -1.58 0.00 0.00 42.46 36.85 1a5g s ILE 176 CO 0.22 0.39 0.24 0.42 -1.23 0.00 0.00 174.94 174.98 1a5g s THR 177 N 0.20 1.63 0.13 2.92 -4.23 -1.26 -5.05 115.64 109.98 1a5g s THR 177 Ca 0.24 -1.68 0.28 0.00 -1.18 0.00 0.00 61.69 59.35 1a5g s THR 177 Cb -0.15 -2.31 0.30 0.00 1.34 0.00 0.00 72.50 71.67 1a5g s THR 177 CO 0.10 0.00 1.89 0.44 -0.54 0.00 0.00 174.62 176.52 1a5g h ASP 178 N 1.06 0.00 0.00 3.99 3.32 -2.04 -2.96 116.42 119.79 1a5g h ASP 178 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1a5g h ASP 178 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1a5g h ASP 178 CO 0.65 0.14 0.00 0.59 -1.72 0.00 0.00 179.24 178.89 1a5g n ASN 179 N -3.29 1.08 -3.98 6.45 3.02 -1.26 -4.81 115.26 112.46 1a5g n ASN 179 Ca 0.00 -1.80 -0.09 0.00 -0.03 0.00 0.00 54.58 52.66 1a5g n ASN 179 Cb 0.38 -0.45 -0.11 0.00 -0.61 0.00 0.00 39.78 38.99 1a5g n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1a5g s MET 180 N -0.89 0.38 0.07 3.52 -1.94 -1.12 -1.44 119.30 117.87 1a5g s MET 180 Ca 0.00 -0.68 0.00 0.00 -1.71 0.00 0.00 55.69 53.31 1a5g s MET 180 Cb 0.00 0.14 -0.04 0.00 2.01 0.00 0.00 34.83 36.94 1a5g s MET 180 CO 0.00 -0.07 -0.05 -0.59 -0.01 0.00 0.00 175.02 174.31 1a5g s PHE 181 N -1.82 0.66 0.25 -0.03 -0.71 -0.83 -4.81 117.98 110.69 1a5g s PHE 181 Ca -0.12 -0.97 0.11 0.00 -1.04 0.00 0.00 56.93 54.91 1a5g s PHE 181 Cb -0.07 -0.43 -0.05 0.00 -1.21 0.00 0.00 43.02 41.26 1a5g s PHE 181 CO -0.02 -0.27 -0.20 0.00 -1.34 0.00 0.00 175.22 173.39 1a5g s ALA 183 N -2.43 -0.65 0.00 0.00 0.00 -0.22 -2.14 121.76 116.32 1a5g s ALA 183 Ca 0.27 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1a5g s ALA 183 Cb -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1a5g s ALA 183 CO 0.12 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1a5g n GLY 184 N 1.83 2.28 3.89 0.00 0.00 -0.84 -2.25 105.19 110.11 1a5g n GLY 184 Ca -0.19 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 1a5g n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a5g s TYR 184 N -2.00 3.56 0.04 1.61 2.02 -1.26 -4.38 117.35 116.94 1a5g s TYR 184 Ca 0.00 0.98 -0.21 0.00 -0.37 0.00 0.00 57.07 57.47 1a5g s TYR 184 Cb 0.00 -2.51 -0.06 0.00 -0.40 0.00 0.00 41.96 38.99 1a5g s TYR 184 CO 0.00 -0.50 0.62 0.15 -1.57 0.00 0.00 175.55 174.25 1a5g s LYS 185 N -4.94 4.31 0.34 -0.62 1.02 -1.26 -4.83 119.74 113.76 1a5g s LYS 185 Ca 0.51 0.80 0.18 0.00 0.02 0.00 0.00 55.97 57.49 1a5g s LYS 185 Cb -0.11 -3.30 1.22 0.00 -0.52 0.00 0.00 37.83 35.12 1a5g s LYS 185 CO 0.48 0.48 1.46 -0.35 -0.92 0.00 0.00 175.35 176.51 1a5g n PRO 186 N 2.26 -0.06 0.00 -1.68 -0.04 -1.26 -0.67 135.00 133.54 1a5g n PRO 186 Ca -0.08 1.28 0.00 0.00 -0.04 0.00 0.00 63.50 64.67 1a5g n PRO 186 Cb 0.51 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 1a5g n PRO 186 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1a5g n ASP 186 N -5.11 0.00 0.00 3.54 5.68 -1.26 -3.32 116.55 116.09 1a5g n ASP 186 Ca 0.34 0.58 0.00 0.00 -0.50 0.00 0.00 54.79 55.22 1a5g n ASP 186 Cb 1.16 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 41.01 1a5g n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1a5g n GLU 186 N -0.90 0.00 -2.12 0.11 1.02 0.15 -4.67 120.64 114.23 1a5g n GLU 186 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1a5g n GLU 186 Cb 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 31.44 31.39 1a5g n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a5g n GLY 186 N -0.53 0.00 0.00 0.62 0.00 -1.20 -4.99 105.19 99.09 1a5g n GLY 186 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a5g n GLY 186 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a5g n LYS 186 N 1.86 0.00 -4.32 1.61 4.81 -1.26 -5.13 118.16 115.73 1a5g n LYS 186 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1a5g n LYS 186 Cb 0.06 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.07 1a5g n LYS 186 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1a5g n ARG 187 N -0.29 0.73 0.00 1.64 1.74 -1.26 -4.68 116.66 114.54 1a5g n ARG 187 Ca 0.00 -3.60 0.00 0.00 -0.77 0.00 0.00 57.85 53.48 1a5g n ARG 187 Cb 0.00 0.72 0.00 0.00 -1.02 0.00 0.00 32.46 32.16 1a5g n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5g n GLY 188 N -1.33 3.40 3.67 -0.13 0.00 -1.25 -4.93 105.19 104.62 1a5g n GLY 188 Ca -0.13 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 44.05 1a5g n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a5g s ASP 189 N 0.00 -0.04 0.74 1.61 2.15 -0.91 -4.64 116.67 115.59 1a5g s ASP 189 Ca 0.00 -0.13 -0.10 0.00 0.43 0.00 0.00 52.55 52.75 1a5g s ASP 189 Cb 0.00 0.14 0.06 0.00 -0.30 0.00 0.00 42.92 42.81 1a5g s ASP 189 CO 0.00 -0.25 1.09 0.00 -0.17 0.00 0.00 175.17 175.84 1a5g s ALA 190 N -2.29 2.90 0.33 3.66 0.00 -1.26 -0.37 121.76 124.73 1a5g s ALA 190 Ca 0.17 -0.68 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 1a5g s ALA 190 Cb 0.04 -2.83 0.02 0.00 0.00 0.00 0.00 23.12 20.35 1a5g s ALA 190 CO -0.04 -1.39 0.64 0.00 0.00 0.00 0.00 175.76 174.97 1a5g n GLU 192 N -0.50 1.53 0.00 0.00 4.71 -1.26 -1.32 120.64 123.80 1a5g n GLU 192 Ca -0.04 0.54 0.00 0.00 -0.01 0.00 0.00 57.16 57.65 1a5g n GLU 192 Cb 0.61 -2.06 0.00 0.00 -1.01 0.00 0.00 31.44 28.98 1a5g n GLU 192 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1a5g n GLY 193 N 1.78 3.38 0.08 0.62 0.00 -1.26 -1.21 105.19 108.58 1a5g n GLY 193 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 1a5g n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a5g h ASP 194 N 0.00 0.00 -0.38 1.61 3.32 -1.54 -3.37 116.42 116.06 1a5g h ASP 194 Ca 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 1a5g h ASP 194 Cb 0.00 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.58 1a5g h ASP 194 CO 0.00 0.87 -0.07 -1.20 -1.72 0.00 0.00 179.24 177.12 1a5g n SER 195 N -3.42 -0.21 0.00 6.45 7.64 -1.26 -1.84 113.62 120.99 1a5g n SER 195 Ca -0.00 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1a5g n SER 195 Cb 0.86 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1a5g n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a5g n GLY 196 N 0.64 0.58 3.95 0.23 0.00 -0.82 0.12 105.19 109.89 1a5g n GLY 196 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1a5g n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a5g s GLY 197 N -2.00 1.73 0.26 -0.02 0.00 -0.77 -2.83 107.32 103.69 1a5g s GLY 197 Ca 0.00 -1.17 -0.14 0.00 0.00 0.00 0.00 44.72 43.41 1a5g s GLY 197 CO 0.00 -0.66 0.65 2.56 0.00 0.00 0.00 173.10 175.65 1a5g s PRO 198 N -5.34 3.97 -0.29 2.90 0.04 -1.26 -0.22 135.00 134.79 1a5g s PRO 198 Ca 0.64 0.55 -0.03 0.00 0.04 0.00 0.00 61.00 62.20 1a5g s PRO 198 Cb -0.08 -2.61 0.04 0.00 0.04 0.00 0.00 34.50 31.88 1a5g s PRO 198 CO 0.46 0.27 0.00 0.12 0.04 0.00 0.00 177.00 177.90 1a5g s PHE 199 N -1.81 3.19 0.33 0.56 2.19 -0.48 -3.53 117.98 118.43 1a5g s PHE 199 Ca 0.49 -1.62 0.10 0.00 0.33 0.00 0.00 56.93 56.22 1a5g s PHE 199 Cb -0.12 -2.13 -0.06 0.00 -1.31 0.00 0.00 43.02 39.40 1a5g s PHE 199 CO 0.19 -0.75 -0.10 0.14 1.83 0.00 0.00 175.22 176.53 1a5g s VAL 200 N 1.32 2.31 0.02 3.12 -7.23 -0.29 -0.74 120.40 118.91 1a5g s VAL 200 Ca -0.02 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 57.93 1a5g s VAL 200 Cb -0.18 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 1a5g s VAL 200 CO -0.01 -0.23 -0.03 -0.04 -0.31 0.00 0.00 175.10 174.47 1a5g s MET 201 N -3.60 0.30 -0.26 4.82 -1.94 -0.36 -1.28 119.30 116.97 1a5g s MET 201 Ca 0.32 -0.54 -0.09 0.00 -1.71 0.00 0.00 55.69 53.67 1a5g s MET 201 Cb 0.01 0.03 -0.04 0.00 2.01 0.00 0.00 34.83 36.84 1a5g s MET 201 CO 0.16 -0.03 0.12 0.21 -0.01 0.00 0.00 175.02 175.48 1a5g s LYS 202 N -1.26 3.76 0.20 2.03 2.20 -1.26 -0.08 119.74 125.33 1a5g s LYS 202 Ca -0.13 -0.43 -0.30 0.00 -0.36 0.00 0.00 55.97 54.76 1a5g s LYS 202 Cb -0.09 -3.47 -0.08 0.00 -1.51 0.00 0.00 37.83 32.68 1a5g s LYS 202 CO -0.01 -0.20 1.21 0.45 -0.36 0.00 0.00 175.35 176.45 1a5g s SER 203 N 1.67 7.06 0.00 1.43 0.15 0.17 -4.94 113.70 119.24 1a5g s SER 203 Ca 0.07 2.28 0.30 0.00 0.70 0.00 0.00 55.95 59.29 1a5g s SER 203 Cb -0.16 -2.61 1.43 0.00 -1.71 0.00 0.00 66.02 62.97 1a5g s SER 203 CO 0.07 -0.38 2.01 -0.81 1.20 0.00 0.00 173.24 175.32 1a5g n PRO 204 N 2.36 0.29 -0.09 5.44 -0.04 -1.26 -0.73 135.00 140.96 1a5g n PRO 204 Ca 0.04 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.32 1a5g n PRO 204 Cb 0.44 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 1a5g n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1a5g h PHE 204 N 0.00 0.00 -0.00 0.54 0.04 -1.96 -3.41 116.94 112.14 1a5g h PHE 204 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1a5g h PHE 204 Cb 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1a5g h PHE 204 CO 0.00 1.23 -0.02 0.27 -0.60 0.00 0.00 178.31 179.19 1a5g n ASN 204 N -4.50 0.75 -0.75 2.17 2.04 -1.25 -5.03 115.26 108.68 1a5g n ASN 204 Ca -0.23 -0.87 -0.10 0.00 -0.44 0.00 0.00 54.58 52.93 1a5g n ASN 204 Cb 0.58 0.35 -0.04 0.00 -2.53 0.00 0.00 39.78 38.14 1a5g n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1a5g n ASN 205 N -0.31 -4.60 -4.95 0.53 4.13 0.09 -5.00 115.26 105.16 1a5g n ASN 205 Ca 0.01 0.24 -0.24 0.00 1.68 0.00 0.00 54.58 56.27 1a5g n ASN 205 Cb 0.03 -2.96 -0.01 0.00 -1.54 0.00 0.00 39.78 35.29 1a5g n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1a5g s ARG 206 N -2.65 3.48 -0.18 3.52 0.52 -1.25 -4.79 118.95 117.60 1a5g s ARG 206 Ca 0.00 -0.40 -0.09 0.00 -0.52 0.00 0.00 55.73 54.72 1a5g s ARG 206 Cb 0.00 -2.71 -0.05 0.00 0.52 0.00 0.00 34.95 32.71 1a5g s ARG 206 CO 0.00 0.21 0.11 -1.58 0.02 0.00 0.00 175.30 174.07 1a5g s TRP 207 N -2.23 3.40 0.01 -0.53 0.52 -1.26 0.41 118.94 119.25 1a5g s TRP 207 Ca 0.39 0.30 0.08 0.00 0.02 0.00 0.00 56.10 56.89 1a5g s TRP 207 Cb -0.10 -2.11 -0.03 0.00 -1.15 0.00 0.00 33.47 30.09 1a5g s TRP 207 CO 0.34 0.32 -0.24 0.71 0.02 0.00 0.00 176.95 178.10 1a5g s TYR 208 N 0.17 2.40 -0.36 -1.98 2.02 0.88 -2.15 117.35 118.33 1a5g s TYR 208 Ca 0.08 -0.37 -0.21 0.00 -0.37 0.00 0.00 57.07 56.19 1a5g s TYR 208 Cb -0.11 -1.47 0.01 0.00 -0.40 0.00 0.00 41.96 39.98 1a5g s TYR 208 CO -0.01 0.08 0.69 -1.14 -1.57 0.00 0.00 175.55 173.60 1a5g s GLN 209 N -0.94 3.69 -0.03 -0.62 0.74 0.45 -1.23 119.66 121.73 1a5g s GLN 209 Ca 0.11 0.14 0.18 0.00 0.05 0.00 0.00 55.36 55.84 1a5g s GLN 209 Cb -0.10 -3.81 -0.20 0.00 1.10 0.00 0.00 33.01 29.99 1a5g s GLN 209 CO 0.01 -0.79 0.56 -1.33 -0.55 0.00 0.00 175.29 173.19 1a5g n MET 210 N 6.19 0.65 -4.12 1.67 2.81 0.09 -4.24 117.12 120.16 1a5g n MET 210 Ca 0.00 0.10 -0.11 0.00 -1.81 0.00 0.00 57.70 55.88 1a5g n MET 210 Cb 0.48 -1.69 -0.08 0.00 -0.71 0.00 0.00 33.22 31.23 1a5g n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1a5g s GLY 211 N -4.95 1.11 -0.06 3.03 0.00 -0.93 -2.55 107.32 102.96 1a5g s GLY 211 Ca -0.06 -1.38 0.02 0.00 0.00 0.00 0.00 44.72 43.31 1a5g s GLY 211 CO 0.83 -1.08 -0.12 -0.42 0.00 0.00 0.00 173.10 172.31 1a5g s ILE 212 N -4.03 1.12 0.02 0.90 1.01 -1.05 -1.38 121.20 117.78 1a5g s ILE 212 Ca 0.32 -0.48 -0.33 0.00 0.00 0.00 0.00 60.65 60.16 1a5g s ILE 212 Cb 0.03 -1.01 -0.12 0.00 0.01 0.00 0.00 42.46 41.38 1a5g s ILE 212 CO 0.12 0.35 1.83 0.52 0.00 0.00 0.00 174.94 177.76 1a5g n VAL 213 N 3.69 0.46 0.03 2.92 0.31 0.69 -1.02 118.33 125.42 1a5g n VAL 213 Ca -0.22 -0.08 -0.01 0.00 -0.01 0.00 0.00 64.34 64.01 1a5g n VAL 213 Cb 0.52 -1.93 -0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1a5g n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1a5g n SER 214 N 5.99 1.21 -3.73 4.52 2.88 -0.47 -1.95 113.62 122.07 1a5g n SER 214 Ca 0.20 0.16 -0.08 0.00 -1.33 0.00 0.00 58.87 57.83 1a5g n SER 214 Cb 0.33 -0.39 -0.02 0.00 -0.75 0.00 0.00 64.21 63.38 1a5g n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1a5g s TRP 215 N -2.11 -0.08 -0.05 0.66 1.48 -1.01 -4.92 118.94 112.92 1a5g s TRP 215 Ca -0.04 -0.40 -0.24 0.00 -1.06 0.00 0.00 56.10 54.35 1a5g s TRP 215 Cb 0.01 0.67 0.08 0.00 -1.16 0.00 0.00 33.47 33.06 1a5g s TRP 215 CO 0.06 -1.26 1.08 0.41 -4.06 0.00 0.00 176.95 173.18 1a5g n GLY 216 N -0.46 0.20 2.79 3.67 0.00 -1.26 -1.47 105.19 108.65 1a5g n GLY 216 Ca -0.04 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 1a5g n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a5g s GLU 217 N -2.01 0.90 1.76 1.61 2.02 -1.26 -5.02 118.70 116.71 1a5g s GLU 217 Ca 0.26 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1a5g s GLU 217 Cb -0.00 -2.21 0.00 0.00 0.10 0.00 0.00 34.13 32.01 1a5g s GLU 217 CO -0.02 -0.89 0.00 0.41 0.02 0.00 0.00 175.26 174.79 1a5g n GLY 219 N 4.79 -1.61 3.11 -1.39 0.00 -1.26 -4.81 105.19 104.01 1a5g n GLY 219 Ca -0.03 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 1a5g n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5g n ASP 221 N 3.90 -4.27 -4.80 0.00 2.03 -1.26 -4.62 116.55 107.53 1a5g n ASP 221 Ca -0.22 -0.17 -0.35 0.00 0.52 0.00 0.00 54.79 54.57 1a5g n ASP 221 Cb 0.55 -3.54 -0.06 0.00 -0.72 0.00 0.00 41.12 37.35 1a5g n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1a5g s ARG 221 N -5.61 4.26 0.40 -0.67 0.52 -1.26 -4.92 118.95 111.67 1a5g s ARG 221 Ca 0.24 1.31 -0.26 0.00 -0.52 0.00 0.00 55.73 56.50 1a5g s ARG 221 Cb -0.12 -2.44 -0.09 0.00 0.52 0.00 0.00 34.95 32.82 1a5g s ARG 221 CO 0.30 -0.02 1.28 -0.51 0.02 0.00 0.00 175.30 176.37 1a5g s ASP 222 N -1.83 6.39 -0.02 0.23 1.11 -1.26 -2.55 116.67 118.74 1a5g s ASP 222 Ca 0.58 2.62 0.00 0.00 0.18 0.00 0.00 52.55 55.93 1a5g s ASP 222 Cb -0.16 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.19 1a5g s ASP 222 CO 0.21 -0.79 0.00 0.61 1.18 0.00 0.00 175.17 176.38 1a5g n GLY 223 N 0.68 0.18 3.54 0.21 0.00 -1.26 -4.99 105.19 103.55 1a5g n GLY 223 Ca 0.03 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1a5g n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5g s LYS 224 N -1.37 2.27 0.13 1.61 -0.14 -1.06 -4.76 119.74 116.42 1a5g s LYS 224 Ca 0.00 -0.90 0.06 0.00 -1.36 0.00 0.00 55.97 53.78 1a5g s LYS 224 Cb 0.00 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.77 1a5g s LYS 224 CO 0.00 0.55 -0.15 0.71 -0.76 0.00 0.00 175.35 175.70 1a5g s TYR 225 N -1.04 1.49 0.37 3.18 1.51 -1.26 -4.67 117.35 116.93 1a5g s TYR 225 Ca 0.18 -0.53 -0.20 0.00 -1.01 0.00 0.00 57.07 55.50 1a5g s TYR 225 Cb -0.11 -0.77 -0.10 0.00 -0.11 0.00 0.00 41.96 40.87 1a5g s TYR 225 CO 0.09 0.18 0.88 0.20 -1.11 0.00 0.00 175.55 175.79 1a5g s GLY 226 N -2.47 2.47 -0.09 0.71 0.00 -0.95 -4.65 107.32 102.34 1a5g s GLY 226 Ca 0.10 0.32 0.05 0.00 0.00 0.00 0.00 44.72 45.18 1a5g s GLY 226 CO 0.04 0.62 -0.24 -1.36 0.00 0.00 0.00 173.10 172.16 1a5g s PHE 227 N -1.97 2.48 0.11 1.90 0.40 -0.54 -1.05 117.98 119.30 1a5g s PHE 227 Ca 0.56 -0.94 0.09 0.00 -0.60 0.00 0.00 56.93 56.04 1a5g s PHE 227 Cb -0.12 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 1a5g s PHE 227 CO 0.17 -0.36 -0.22 0.71 0.70 0.00 0.00 175.22 176.22 1a5g s TYR 228 N 0.21 1.91 0.10 0.36 2.02 -0.22 -1.37 117.35 120.36 1a5g s TYR 228 Ca -0.15 -0.41 -0.31 0.00 -0.37 0.00 0.00 57.07 55.84 1a5g s TYR 228 Cb -0.17 -1.05 -0.07 0.00 -0.40 0.00 0.00 41.96 40.27 1a5g s TYR 228 CO 0.07 0.24 1.36 0.99 -1.57 0.00 0.00 175.55 176.64 1a5g s THR 229 N -1.13 3.45 -0.89 -0.71 2.01 -0.19 -1.95 115.64 116.23 1a5g s THR 229 Ca 0.08 1.03 -0.24 0.00 0.31 0.00 0.00 61.69 62.87 1a5g s THR 229 Cb -0.10 -3.66 0.05 0.00 0.01 0.00 0.00 72.50 68.80 1a5g s THR 229 CO 0.05 0.07 1.33 -2.28 -0.69 0.00 0.00 174.62 173.10 1a5g s HIS 230 N 1.22 2.49 0.15 4.92 2.46 -0.52 -2.53 115.29 123.48 1a5g s HIS 230 Ca 0.64 -0.57 -0.19 0.00 0.47 0.00 0.00 55.06 55.41 1a5g s HIS 230 Cb -0.35 -4.62 0.05 0.00 -0.13 0.00 0.00 32.58 27.53 1a5g s HIS 230 CO 0.30 -1.94 1.67 0.28 -2.47 0.00 0.00 174.74 172.58 1a5g h VAL 231 N 6.40 0.61 -0.98 0.89 2.07 -1.82 -2.26 116.25 121.16 1a5g h VAL 231 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1a5g h VAL 231 Cb 1.03 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 1a5g h VAL 231 CO 1.34 0.00 0.63 0.15 0.02 0.00 0.00 177.57 179.71 1a5g h PHE 232 N -0.05 1.18 0.00 1.57 3.57 -1.86 -1.27 116.94 120.09 1a5g h PHE 232 Ca 0.16 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1a5g h PHE 232 Cb 0.29 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 1a5g h PHE 232 CO -0.33 0.66 -0.03 0.00 -2.23 0.00 0.00 178.31 176.38 1a5g h ARG 233 N 1.20 0.00 -0.44 1.11 2.47 -1.79 -2.32 114.38 114.62 1a5g h ARG 233 Ca 0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.12 1a5g h ARG 233 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1a5g h ARG 233 CO -0.14 0.03 0.00 1.28 0.56 0.00 0.00 179.97 181.70 1a5g n LEU 234 N -3.52 3.27 -0.15 3.04 4.77 -0.55 -4.65 117.00 119.22 1a5g n LEU 234 Ca -0.02 -1.76 0.03 0.00 -0.03 0.00 0.00 56.01 54.23 1a5g n LEU 234 Cb 0.13 -0.29 0.33 0.00 -2.33 0.00 0.00 43.42 41.26 1a5g n LEU 234 CO 0.26 0.77 1.21 0.50 -1.33 0.00 0.00 177.39 178.80 1a5g h LYS 235 N 3.36 0.79 -0.37 3.23 3.64 -0.78 -2.02 116.57 124.42 1a5g h LYS 235 Ca 0.00 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1a5g h LYS 235 Cb 0.85 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 1a5g h LYS 235 CO 0.00 0.52 0.16 0.87 -2.27 0.00 0.00 179.45 178.73 1a5g h LYS 236 N 0.81 0.32 -0.59 1.90 1.57 -1.82 0.79 116.57 119.55 1a5g h LYS 236 Ca 0.25 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1a5g h LYS 236 Cb 0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1a5g h LYS 236 CO -0.06 0.21 0.34 2.35 -0.57 0.00 0.00 179.45 181.72 1a5g h TRP 237 N 0.33 0.77 0.22 -1.35 7.01 -1.72 -0.63 115.95 120.57 1a5g h TRP 237 Ca 0.16 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 1a5g h TRP 237 Cb 0.11 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 26.92 1a5g h TRP 237 CO -0.12 0.52 -0.11 0.82 -2.79 0.00 0.00 178.44 176.76 1a5g h ILE 238 N 0.81 0.86 -0.30 2.65 2.04 -0.74 -1.93 117.51 120.89 1a5g h ILE 238 Ca 0.21 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.46 1a5g h ILE 238 Cb -0.02 1.23 -0.08 0.00 -0.74 0.00 0.00 36.82 37.21 1a5g h ILE 238 CO -0.04 0.14 -0.49 1.56 0.00 0.00 0.00 178.15 179.33 1a5g h GLN 239 N -0.65 -0.42 -0.68 2.37 4.20 0.65 -2.52 115.11 118.07 1a5g h GLN 239 Ca -0.03 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1a5g h GLN 239 Cb 0.46 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 28.23 1a5g h GLN 239 CO 0.05 -0.28 -0.51 -0.22 -0.67 0.00 0.00 178.83 177.20 1a5g h LYS 240 N -0.43 -0.19 0.00 1.46 3.64 -1.14 -1.75 116.57 118.16 1a5g h LYS 240 Ca 0.09 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1a5g h LYS 240 Cb 0.62 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1a5g h LYS 240 CO -0.52 -0.13 -0.32 -0.39 -2.27 0.00 0.00 179.45 175.82 1a5g h VAL 241 N -0.20 0.96 -0.24 2.00 -1.51 -1.12 -2.67 116.25 113.48 1a5g h VAL 241 Ca 0.16 -1.22 -0.12 0.00 -1.23 0.00 0.00 66.70 64.29 1a5g h VAL 241 Cb 0.53 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 1a5g h VAL 241 CO -0.76 0.32 -0.35 0.40 -1.23 0.00 0.00 177.57 175.95 1a5g h ILE 242 N 0.00 1.29 0.14 7.19 2.04 -0.91 -0.10 117.51 127.16 1a5g h ILE 242 Ca -0.00 -1.47 -0.29 0.00 1.00 0.00 0.00 64.86 64.09 1a5g h ILE 242 Cb 0.69 1.49 0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1a5g h ILE 242 CO 0.04 0.46 -1.37 -2.24 0.00 0.00 0.00 178.15 175.04 1a5g h ASP 243 N 0.45 0.48 0.15 1.72 2.03 -1.23 0.35 116.42 120.36 1a5g h ASP 243 Ca 0.05 -0.55 -0.01 0.00 -0.73 0.00 0.00 57.03 55.79 1a5g h ASP 243 Cb 0.82 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 1a5g h ASP 243 CO 0.07 1.44 -0.07 -0.61 -1.03 0.00 0.00 179.24 179.03 1a5g h GLN 244 N 0.08 -0.20 -0.08 4.15 4.15 -1.47 -3.30 115.11 118.44 1a5g h GLN 244 Ca -0.19 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1a5g h GLN 244 Cb 2.02 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.75 1a5g h GLN 244 CO 0.20 0.08 0.00 1.19 -1.93 0.00 0.00 178.83 178.38 1a5g n PHE 245 N -5.06 0.09 -0.13 3.99 3.72 -0.06 -5.11 117.46 114.91 1a5g n PHE 245 Ca -0.09 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1a5g n PHE 245 Cb 0.20 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 1a5g n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12