#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdr n LYS 2 N 0.00 2.72 -4.02 0.03 0.00 -1.26 -4.85 118.16 110.78 2wdr n LYS 2 Ca 0.00 -2.85 -0.16 0.00 0.00 0.00 0.00 58.31 55.30 2wdr n LYS 2 Cb 0.00 -1.82 -0.15 0.00 0.00 0.00 0.00 35.03 33.06 2wdr n LYS 2 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2wdr s LEU 3 N -2.87 1.68 0.32 3.14 2.96 -1.26 -4.98 118.68 117.67 2wdr s LEU 3 Ca 0.42 -0.05 -0.29 0.00 -0.22 0.00 0.00 54.13 53.99 2wdr s LEU 3 Cb 0.34 -0.20 -0.12 0.00 0.50 0.00 0.00 46.19 46.71 2wdr s LEU 3 CO 0.08 -0.01 1.40 -2.65 -1.32 0.00 0.00 176.35 173.85 2wdr n PRO 4 N 3.44 2.30 -4.34 0.98 -0.02 -1.26 -4.69 135.00 131.41 2wdr n PRO 4 Ca -0.18 0.81 -0.34 0.00 -2.02 0.00 0.00 63.50 61.77 2wdr n PRO 4 Cb 0.55 -2.47 -0.14 0.00 -0.02 0.00 0.00 33.50 31.42 2wdr n PRO 4 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wdr s VAL 5 N -0.68 3.07 -0.28 -1.45 1.01 -1.26 -1.60 120.40 119.20 2wdr s VAL 5 Ca 0.59 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 2wdr s VAL 5 Cb -0.56 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.51 2wdr s VAL 5 CO 0.57 0.49 0.01 -0.13 0.00 0.00 0.00 175.10 176.04 2wdr s ARG 6 N 0.92 2.86 -0.13 2.72 0.52 0.09 -4.86 118.95 121.06 2wdr s ARG 6 Ca -0.02 -0.99 -0.06 0.00 -0.52 0.00 0.00 55.73 54.14 2wdr s ARG 6 Cb -0.15 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 2wdr s ARG 6 CO -0.00 -0.46 0.10 -2.00 0.02 0.00 0.00 175.30 172.95 2wdr s GLU 7 N 1.38 3.47 0.17 3.54 2.12 -1.26 -0.50 118.70 127.63 2wdr s GLU 7 Ca 0.00 -0.23 -0.06 0.00 0.36 0.00 0.00 54.97 55.04 2wdr s GLU 7 Cb -0.17 -3.12 -0.02 0.00 0.26 0.00 0.00 34.13 31.07 2wdr s GLU 7 CO -0.01 0.65 0.21 -0.06 -0.54 0.00 0.00 175.26 175.51 2wdr s PHE 8 N -0.68 0.68 -0.02 5.30 0.08 0.47 -4.80 117.98 119.00 2wdr s PHE 8 Ca 0.12 -1.02 -0.24 0.00 0.12 0.00 0.00 56.93 55.92 2wdr s PHE 8 Cb -0.12 -0.25 -0.18 0.00 -0.57 0.00 0.00 43.02 41.91 2wdr s PHE 8 CO 0.03 -0.68 1.13 -0.44 -0.10 0.00 0.00 175.22 175.15 2wdr h ASP 9 N 2.62 -0.15 -4.32 1.36 3.32 -1.83 -3.23 116.42 114.18 2wdr h ASP 9 Ca -0.33 -0.36 -0.61 0.00 0.02 0.00 0.00 57.03 55.74 2wdr h ASP 9 Cb 1.23 0.04 -0.30 0.00 0.22 0.00 0.00 39.33 40.52 2wdr h ASP 9 CO 0.51 0.33 -0.86 0.00 -1.72 0.00 0.00 179.24 177.49 2wdr s ALA 10 N -4.22 1.77 -0.23 3.45 0.00 -0.79 -1.73 121.76 120.01 2wdr s ALA 10 Ca -0.14 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 2wdr s ALA 10 Cb 0.01 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.67 2wdr s ALA 10 CO 0.58 0.41 -0.07 0.08 0.00 0.00 0.00 175.76 176.75 2wdr s VAL 11 N -0.38 2.92 -0.46 0.00 1.01 -0.54 -1.12 120.40 121.83 2wdr s VAL 11 Ca 0.05 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 2wdr s VAL 11 Cb -0.09 -2.42 0.06 0.00 0.00 0.00 0.00 36.38 33.93 2wdr s VAL 11 CO 0.00 0.29 0.41 -0.69 0.00 0.00 0.00 175.10 175.10 2wdr s VAL 12 N 1.36 5.19 -0.80 2.92 1.01 0.12 -1.31 120.40 128.90 2wdr s VAL 12 Ca 0.02 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 60.85 2wdr s VAL 12 Cb -0.16 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.16 2wdr s VAL 12 CO -0.05 -0.55 1.28 -0.63 0.00 0.00 0.00 175.10 175.15 2wdr s ILE 13 N 1.78 3.86 0.00 2.22 1.01 -0.37 -0.71 121.20 128.98 2wdr s ILE 13 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2wdr s ILE 13 Cb -0.22 -4.92 0.00 0.00 0.01 0.00 0.00 42.46 37.32 2wdr s ILE 13 CO 0.08 -1.82 0.00 0.61 0.00 0.00 0.00 174.94 173.81 2wdr n GLY 14 N 5.71 4.04 2.31 6.18 0.00 0.09 -0.36 105.19 123.16 2wdr n GLY 14 Ca 0.10 -1.21 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 2wdr n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdr n ALA 15 N -0.28 4.16 -1.56 4.61 0.00 -1.23 -4.14 120.51 122.07 2wdr n ALA 15 Ca 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 50.02 2wdr n ALA 15 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2wdr n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdr n GLY 16 N -0.67 0.90 0.17 0.00 0.00 -1.26 -4.30 105.19 100.02 2wdr n GLY 16 Ca 0.31 -1.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.45 2wdr n GLY 16 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wdr h GLY 17 N 0.00 -1.60 0.92 -0.02 0.00 -1.95 -0.07 103.07 100.34 2wdr h GLY 17 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 47.33 48.13 2wdr h GLY 17 CO 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 176.54 175.97 2wdr h ALA 18 N -0.84 -0.10 -0.63 3.60 0.00 -1.92 -2.27 119.26 117.10 2wdr h ALA 18 Ca 0.03 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2wdr h ALA 18 Cb 0.22 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2wdr h ALA 18 CO -0.22 -0.57 0.32 0.78 0.00 0.00 0.00 179.25 179.57 2wdr h GLY 19 N -0.13 0.91 1.77 0.00 0.00 -1.74 -0.64 103.07 103.24 2wdr h GLY 19 Ca 0.01 -0.22 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 2wdr h GLY 19 CO -0.02 0.11 -0.50 -0.33 0.00 0.00 0.00 176.54 175.80 2wdr h MET 20 N 0.59 0.25 -0.24 4.80 2.86 -0.89 0.02 114.93 122.32 2wdr h MET 20 Ca 0.29 -0.14 -0.14 0.00 -2.06 0.00 0.00 59.70 57.65 2wdr h MET 20 Cb 0.22 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 2wdr h MET 20 CO -0.20 0.70 -0.39 -0.09 1.06 0.00 0.00 176.91 177.98 2wdr h ARG 21 N 0.20 0.69 -0.41 1.72 9.65 -1.08 -1.63 114.38 123.53 2wdr h ARG 21 Ca 0.01 -0.42 -0.04 0.00 -1.10 0.00 0.00 59.98 58.42 2wdr h ARG 21 Cb 0.96 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.56 2wdr h ARG 21 CO 0.08 1.04 0.09 0.00 2.80 0.00 0.00 179.97 183.98 2wdr h ALA 22 N 0.64 0.54 0.12 2.80 0.00 -1.02 -0.16 119.26 122.19 2wdr h ALA 22 Ca 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wdr h ALA 22 Cb 0.99 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2wdr h ALA 22 CO 0.09 0.23 -0.09 0.00 0.00 0.00 0.00 179.25 179.48 2wdr h ALA 23 N 0.95 -0.20 -0.35 0.00 0.00 -1.02 0.12 119.26 118.76 2wdr h ALA 23 Ca 0.13 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2wdr h ALA 23 Cb 0.33 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2wdr h ALA 23 CO 0.00 -0.62 -0.12 1.25 0.00 0.00 0.00 179.25 179.77 2wdr h LEU 24 N -0.21 -0.41 0.34 0.00 5.85 -1.15 -1.80 115.31 117.92 2wdr h LEU 24 Ca -0.01 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2wdr h LEU 24 Cb 0.19 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2wdr h LEU 24 CO -0.00 -0.15 -0.16 -0.61 -0.34 0.00 0.00 178.44 177.18 2wdr h GLN 25 N -0.04 -0.44 -0.89 1.25 5.75 -0.69 -2.49 115.11 117.56 2wdr h GLN 25 Ca 0.17 0.03 0.22 0.00 -0.15 0.00 0.00 58.65 58.92 2wdr h GLN 25 Cb 0.30 0.10 -0.12 0.00 1.07 0.00 0.00 27.48 28.83 2wdr h GLN 25 CO -0.38 -0.19 0.40 0.82 -2.65 0.00 0.00 178.83 176.82 2wdr h ILE 26 N -0.63 0.49 0.31 2.39 2.04 -0.61 -2.43 117.51 119.07 2wdr h ILE 26 Ca -0.05 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 2wdr h ILE 26 Cb 0.45 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2wdr h ILE 26 CO 0.08 0.08 -0.15 -1.28 0.00 0.00 0.00 178.15 176.87 2wdr h SER 27 N 0.41 -0.35 0.01 1.72 0.87 -1.24 -2.25 113.55 112.72 2wdr h SER 27 Ca 0.55 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2wdr h SER 27 Cb 1.04 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2wdr h SER 27 CO -0.52 -0.01 0.00 0.00 -0.53 0.00 0.00 176.83 175.78 2wdr n GLN 28 N -5.14 0.01 -0.57 2.24 6.02 -0.97 -1.54 117.38 117.42 2wdr n GLN 28 Ca -0.10 0.34 0.09 0.00 -0.01 0.00 0.00 57.00 57.32 2wdr n GLN 28 Cb 0.26 -1.50 0.33 0.00 1.02 0.00 0.00 30.24 30.35 2wdr n GLN 28 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2wdr n SER 29 N -1.35 4.40 0.00 1.08 7.64 -0.87 -4.72 113.62 119.81 2wdr n SER 29 Ca 0.00 -2.40 0.00 0.00 1.01 0.00 0.00 58.87 57.48 2wdr n SER 29 Cb 0.01 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 2wdr n SER 29 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wdr n GLY 30 N 1.09 3.09 3.86 0.23 0.00 -0.71 -4.89 105.19 107.85 2wdr n GLY 30 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 2wdr n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wdr s GLN 31 N -0.23 3.84 0.53 1.61 -0.21 -1.20 -4.88 119.66 119.12 2wdr s GLN 31 Ca 0.00 0.77 -0.17 0.00 0.02 0.00 0.00 55.36 55.97 2wdr s GLN 31 Cb 0.00 -2.20 -0.07 0.00 1.00 0.00 0.00 33.01 31.74 2wdr s GLN 31 CO 0.00 -0.25 1.02 0.95 -2.12 0.00 0.00 175.29 174.89 2wdr s THR 32 N -2.64 4.11 -0.28 -0.19 -4.23 -1.26 -4.16 115.64 106.98 2wdr s THR 32 Ca 0.56 1.09 -0.15 0.00 -1.18 0.00 0.00 61.69 62.00 2wdr s THR 32 Cb -0.10 -3.53 0.09 0.00 1.34 0.00 0.00 72.50 70.30 2wdr s THR 32 CO 0.35 -0.50 0.72 0.00 -0.54 0.00 0.00 174.62 174.64 2wdr s ALA 34 N 1.73 3.19 -0.41 0.00 0.00 -0.38 -3.91 121.76 121.98 2wdr s ALA 34 Ca -0.09 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 50.88 2wdr s ALA 34 Cb -0.06 -1.82 0.05 0.00 0.00 0.00 0.00 23.12 21.30 2wdr s ALA 34 CO -0.19 0.03 0.27 -1.17 0.00 0.00 0.00 175.76 174.70 2wdr s LEU 35 N 0.67 5.07 0.25 0.00 2.96 0.34 0.29 118.68 128.26 2wdr s LEU 35 Ca 0.01 -1.20 -0.10 0.00 -0.22 0.00 0.00 54.13 52.62 2wdr s LEU 35 Cb -0.14 -2.06 -0.07 0.00 0.50 0.00 0.00 46.19 44.42 2wdr s LEU 35 CO 0.02 -0.49 0.57 -0.76 -1.32 0.00 0.00 176.35 174.37 2wdr s LEU 36 N 1.55 4.14 -0.28 -0.68 1.02 -0.07 -0.17 118.68 124.19 2wdr s LEU 36 Ca 0.03 0.95 -0.17 0.00 0.02 0.00 0.00 54.13 54.96 2wdr s LEU 36 Cb -0.21 -3.73 0.10 0.00 0.02 0.00 0.00 46.19 42.37 2wdr s LEU 36 CO 0.06 -0.10 0.79 -0.55 0.02 0.00 0.00 176.35 176.57 2wdr s SER 37 N -2.40 -0.78 0.07 2.29 0.15 -1.09 -0.50 113.70 111.44 2wdr s SER 37 Ca 0.48 1.28 0.26 0.00 0.70 0.00 0.00 55.95 58.67 2wdr s SER 37 Cb -0.11 1.32 1.04 0.00 -1.71 0.00 0.00 66.02 66.56 2wdr s SER 37 CO 0.21 -0.20 1.83 2.29 1.20 0.00 0.00 173.24 178.57 2wdr n LYS 38 N 3.95 0.08 -4.44 5.44 2.85 -1.14 0.13 118.16 125.04 2wdr n LYS 38 Ca -0.19 0.11 -0.21 0.00 -1.05 0.00 0.00 58.31 56.97 2wdr n LYS 38 Cb 0.58 -1.60 -0.10 0.00 -0.65 0.00 0.00 35.03 33.25 2wdr n LYS 38 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2wdr s VAL 39 N -3.04 1.37 0.15 0.58 -7.23 -1.26 -3.98 120.40 106.98 2wdr s VAL 39 Ca 0.12 -2.05 -0.33 0.00 -1.81 0.00 0.00 61.98 57.91 2wdr s VAL 39 Cb 0.16 -2.63 -0.13 0.00 0.56 0.00 0.00 36.38 34.34 2wdr s VAL 39 CO 0.51 -0.15 1.64 0.33 -0.31 0.00 0.00 175.10 177.12 2wdr n PHE 40 N -0.63 2.38 -0.29 2.82 7.35 -1.26 -3.72 117.46 124.10 2wdr n PHE 40 Ca -0.04 0.19 0.24 0.00 -0.76 0.00 0.00 57.45 57.07 2wdr n PHE 40 Cb 0.65 -2.59 0.44 0.00 0.35 0.00 0.00 39.48 38.34 2wdr n PHE 40 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2wdr n PRO 41 N 3.89 -0.06 -0.02 -7.13 -0.02 -1.26 0.80 135.00 131.19 2wdr n PRO 41 Ca 0.17 1.26 0.07 0.00 -2.02 0.00 0.00 63.50 62.98 2wdr n PRO 41 Cb 0.30 -2.17 0.40 0.00 -0.02 0.00 0.00 33.50 32.01 2wdr n PRO 41 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wdr n THR 42 N -5.09 0.05 0.98 3.45 -2.24 -1.27 -2.26 114.28 107.91 2wdr n THR 42 Ca 0.30 -0.07 0.12 0.00 -2.27 0.00 0.00 64.05 62.13 2wdr n THR 42 Cb 1.00 -0.12 0.09 0.00 -2.10 0.00 0.00 70.33 69.20 2wdr n THR 42 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wdr n ARG 43 N -0.53 2.21 -0.88 -0.78 5.12 0.13 -3.58 116.66 118.36 2wdr n ARG 43 Ca 0.11 -1.85 -0.32 0.00 -1.93 0.00 0.00 57.85 53.86 2wdr n ARG 43 Cb 0.10 -1.45 0.15 0.00 -1.16 0.00 0.00 32.46 30.09 2wdr n ARG 43 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2wdr s SER 44 N -2.00 3.20 0.53 0.55 0.01 -1.11 -4.20 113.70 110.69 2wdr s SER 44 Ca 0.27 2.28 0.20 0.00 1.31 0.00 0.00 55.95 60.02 2wdr s SER 44 Cb 0.20 -2.58 1.37 0.00 0.21 0.00 0.00 66.02 65.22 2wdr s SER 44 CO 0.31 -2.93 2.11 -0.74 0.41 0.00 0.00 173.24 172.41 2wdr h HIS 45 N -1.43 0.00 -0.89 2.43 2.76 -1.95 -1.58 115.15 114.48 2wdr h HIS 45 Ca -0.45 0.00 0.26 0.00 -2.20 0.00 0.00 60.37 57.98 2wdr h HIS 45 Cb 1.28 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.21 2wdr h HIS 45 CO 0.48 0.00 0.71 1.15 -1.30 0.00 0.00 177.93 178.98 2wdr h THR 46 N 0.00 0.42 0.00 6.26 2.02 -1.93 0.26 112.91 119.94 2wdr h THR 46 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2wdr h THR 46 Cb 0.31 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2wdr h THR 46 CO -0.00 0.00 -0.10 1.62 0.37 0.00 0.00 175.52 177.41 2wdr h VAL 47 N 0.00 0.83 -0.00 3.16 3.04 -1.50 -2.37 116.25 119.41 2wdr h VAL 47 Ca 0.42 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.73 2wdr h VAL 47 Cb 1.85 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 32.35 2wdr h VAL 47 CO -0.00 0.10 -0.14 -1.20 -1.01 0.00 0.00 177.57 175.32 2wdr n SER 48 N -4.06 0.61 -4.77 3.17 7.64 0.88 -1.34 113.62 115.74 2wdr n SER 48 Ca -0.02 -0.65 -0.41 0.00 1.01 0.00 0.00 58.87 58.80 2wdr n SER 48 Cb 0.19 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 2wdr n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wdr s ALA 49 N -2.47 3.48 0.07 -0.43 0.00 -0.94 -4.47 121.76 117.00 2wdr s ALA 49 Ca 0.28 1.31 -0.00 0.00 0.00 0.00 0.00 51.96 53.55 2wdr s ALA 49 Cb 0.20 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.81 2wdr s ALA 49 CO 0.48 -0.74 -0.01 1.04 0.00 0.00 0.00 175.76 176.53 2wdr n GLN 50 N 0.64 0.01 -0.21 0.00 6.02 -1.26 0.00 117.38 122.58 2wdr n GLN 50 Ca 0.01 0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.88 2wdr n GLN 50 Cb 0.42 -0.44 -0.09 0.00 1.02 0.00 0.00 30.24 31.14 2wdr n GLN 50 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2wdr h GLY 51 N -0.03 -0.91 0.00 1.08 0.00 -1.90 -2.91 103.07 98.40 2wdr h GLY 51 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 47.33 48.05 2wdr h GLY 51 CO 0.00 -0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.07 2wdr n GLY 52 N -1.35 0.83 3.30 4.60 0.00 -1.26 -4.41 105.19 106.90 2wdr n GLY 52 Ca -0.02 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 2wdr n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdr s ILE 53 N -2.46 3.16 -0.09 -0.61 1.01 0.17 -4.04 121.20 118.33 2wdr s ILE 53 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 2wdr s ILE 53 Cb 0.00 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 2wdr s ILE 53 CO 0.00 0.46 0.96 -0.89 0.00 0.00 0.00 174.94 175.46 2wdr s THR 54 N 1.22 4.83 -0.29 2.92 2.01 -0.55 -0.15 115.64 125.65 2wdr s THR 54 Ca 0.02 1.95 -0.22 0.00 0.31 0.00 0.00 61.69 63.76 2wdr s THR 54 Cb -0.14 -4.27 0.13 0.00 0.01 0.00 0.00 72.50 68.23 2wdr s THR 54 CO -0.03 0.06 1.03 0.54 -0.69 0.00 0.00 174.62 175.52 2wdr s VAL 55 N 1.75 0.00 -1.06 3.82 0.11 -0.68 -4.53 120.40 119.81 2wdr s VAL 55 Ca 0.47 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 59.32 2wdr s VAL 55 Cb -0.19 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.59 2wdr s VAL 55 CO 0.19 0.00 1.98 0.00 -3.33 0.00 0.00 175.10 173.94 2wdr n ALA 56 N 2.76 3.61 0.08 1.54 0.00 -1.26 -4.28 120.51 122.95 2wdr n ALA 56 Ca -0.15 -3.45 -0.07 0.00 0.00 0.00 0.00 53.44 49.77 2wdr n ALA 56 Cb 0.57 -3.58 -0.06 0.00 0.00 0.00 0.00 19.45 16.37 2wdr n ALA 56 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wdr h LEU 57 N 13.45 0.06 0.47 0.00 3.38 -1.97 -3.36 115.31 127.34 2wdr h LEU 57 Ca 0.43 -0.05 -0.29 0.00 0.09 0.00 0.00 57.88 58.05 2wdr h LEU 57 Cb 0.73 -0.02 0.05 0.00 0.09 0.00 0.00 40.66 41.51 2wdr h LEU 57 CO 1.77 0.96 -0.43 0.61 0.09 0.00 0.00 178.44 181.43 2wdr n GLY 58 N 1.11 -0.17 0.13 0.83 0.00 -1.26 -4.56 105.19 101.28 2wdr n GLY 58 Ca -0.01 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 2wdr n GLY 58 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wdr h ASN 59 N -1.05 0.55 0.51 1.61 2.35 -1.93 -3.31 115.58 114.32 2wdr h ASN 59 Ca -0.38 -0.91 -0.26 0.00 -0.55 0.00 0.00 56.30 54.20 2wdr h ASN 59 Cb 1.26 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 39.46 2wdr h ASN 59 CO 0.40 1.64 -1.15 0.74 -1.65 0.00 0.00 177.43 177.42 2wdr h THR 60 N -0.12 1.46 -2.85 2.81 2.02 -1.87 -3.38 112.91 110.98 2wdr h THR 60 Ca -0.28 -2.83 -0.05 0.00 0.77 0.00 0.00 66.41 64.02 2wdr h THR 60 Cb 1.91 2.77 -0.15 0.00 -1.74 0.00 0.00 68.15 70.93 2wdr h THR 60 CO 0.15 0.83 0.05 -1.38 0.37 0.00 0.00 175.52 175.54 2wdr s HIS 61 N -2.87 -0.42 0.20 3.16 -3.43 -1.26 -4.85 115.29 105.82 2wdr s HIS 61 Ca -0.05 0.41 -0.33 0.00 -0.80 0.00 0.00 55.06 54.29 2wdr s HIS 61 Cb 0.08 0.36 -0.13 0.00 -1.43 0.00 0.00 32.58 31.46 2wdr s HIS 61 CO 0.88 -0.68 1.62 -1.91 -2.00 0.00 0.00 174.74 172.66 2wdr n GLU 62 N 0.25 2.43 -3.06 -0.38 2.13 -1.26 -4.15 120.64 116.60 2wdr n GLU 62 Ca -0.18 0.88 -0.12 0.00 0.66 0.00 0.00 57.16 58.40 2wdr n GLU 62 Cb 0.61 -2.67 -0.03 0.00 0.27 0.00 0.00 31.44 29.63 2wdr n GLU 62 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2wdr n ASP 63 N 3.40 1.47 -3.64 4.31 -0.08 -1.26 -4.81 116.55 115.94 2wdr n ASP 63 Ca 0.15 -1.94 -0.09 0.00 -1.51 0.00 0.00 54.79 51.40 2wdr n ASP 63 Cb 0.32 0.37 -0.07 0.00 2.34 0.00 0.00 41.12 44.08 2wdr n ASP 63 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2wdr s ASN 64 N -2.11 -0.88 0.54 1.67 3.84 -1.26 -4.71 114.94 112.03 2wdr s ASN 64 Ca 0.07 1.49 0.22 0.00 0.21 0.00 0.00 52.86 54.85 2wdr s ASN 64 Cb 0.00 1.41 1.47 0.00 -0.55 0.00 0.00 41.25 43.59 2wdr s ASN 64 CO 0.05 -0.24 2.16 4.11 -2.79 0.00 0.00 177.10 180.39 2wdr h TRP 65 N 6.32 0.00 -0.22 0.43 5.08 -1.88 -0.51 115.95 125.18 2wdr h TRP 65 Ca -0.30 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 59.54 2wdr h TRP 65 Cb 1.21 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.36 2wdr h TRP 65 CO 0.16 0.04 -0.43 0.93 -1.28 0.00 0.00 178.44 177.86 2wdr h GLU 66 N 0.00 0.53 -0.64 0.12 5.08 -1.97 -0.36 114.58 117.34 2wdr h GLU 66 Ca -0.00 -0.28 0.05 0.00 -1.00 0.00 0.00 59.36 58.13 2wdr h GLU 66 Cb 0.08 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2wdr h GLU 66 CO 0.01 0.86 0.36 -1.49 -1.00 0.00 0.00 179.01 177.75 2wdr h TRP 67 N 0.43 0.67 -0.45 4.33 6.55 -1.45 0.62 115.95 126.65 2wdr h TRP 67 Ca 0.03 0.02 -0.08 0.00 0.95 0.00 0.00 58.89 59.81 2wdr h TRP 67 Cb 0.93 -0.21 -0.02 0.00 -0.86 0.00 0.00 29.16 29.00 2wdr h TRP 67 CO 0.03 0.35 -0.06 1.25 -1.05 0.00 0.00 178.44 178.96 2wdr h HIS 68 N 0.69 0.84 -0.62 0.49 2.76 -1.26 -1.94 115.15 116.11 2wdr h HIS 68 Ca 0.28 -0.14 -0.06 0.00 -2.20 0.00 0.00 60.37 58.25 2wdr h HIS 68 Cb 0.12 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 28.84 2wdr h HIS 68 CO -0.07 0.81 0.16 1.98 -1.30 0.00 0.00 177.93 179.51 2wdr h MET 69 N 0.71 0.98 0.06 5.26 1.85 -0.32 -1.82 114.93 121.65 2wdr h MET 69 Ca 0.13 -0.23 -0.00 0.00 -0.61 0.00 0.00 59.70 58.99 2wdr h MET 69 Cb 0.52 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.42 2wdr h MET 69 CO 0.03 0.89 -0.03 -0.92 -0.40 0.00 0.00 176.91 176.48 2wdr h TYR 70 N 0.90 -0.07 -0.96 1.39 3.20 -0.73 -0.96 116.97 119.74 2wdr h TYR 70 Ca 0.19 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.18 2wdr h TYR 70 Cb 0.34 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.55 2wdr h TYR 70 CO 0.02 -0.01 0.59 -0.44 -1.64 0.00 0.00 178.16 176.68 2wdr h ASP 71 N -0.11 0.86 0.17 -2.11 3.32 -1.17 -0.88 116.42 116.50 2wdr h ASP 71 Ca -0.01 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2wdr h ASP 71 Cb 0.09 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2wdr h ASP 71 CO 0.01 0.47 -0.08 0.74 -1.72 0.00 0.00 179.24 178.65 2wdr h THR 72 N 0.94 0.92 -0.72 0.35 2.02 -1.15 0.31 112.91 115.58 2wdr h THR 72 Ca 0.47 -0.94 0.10 0.00 0.77 0.00 0.00 66.41 66.81 2wdr h THR 72 Cb 0.45 1.45 -0.07 0.00 -1.74 0.00 0.00 68.15 68.23 2wdr h THR 72 CO -0.26 0.20 0.35 0.58 0.37 0.00 0.00 175.52 176.76 2wdr h VAL 73 N -0.73 0.82 -0.02 3.16 2.07 -0.94 0.14 116.25 120.75 2wdr h VAL 73 Ca -0.02 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2wdr h VAL 73 Cb 0.51 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2wdr h VAL 73 CO 0.04 0.11 -0.01 0.50 0.02 0.00 0.00 177.57 178.23 2wdr h LYS 74 N 0.59 0.04 -0.29 1.57 3.64 -1.21 -2.77 116.57 118.14 2wdr h LYS 74 Ca 0.36 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.81 2wdr h LYS 74 Cb 0.41 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2wdr h LYS 74 CO -0.29 0.42 0.23 0.78 -2.27 0.00 0.00 179.45 178.32 2wdr h GLY 75 N -0.34 0.00 1.13 5.01 0.00 -0.21 0.48 103.07 109.14 2wdr h GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wdr h GLY 75 CO 0.00 0.00 -0.03 -1.14 0.00 0.00 0.00 176.54 175.38 2wdr n SER 76 N -4.22 0.18 -2.50 0.19 3.41 0.40 -3.86 113.62 107.22 2wdr n SER 76 Ca 0.04 -0.59 -0.20 0.00 -0.26 0.00 0.00 58.87 57.86 2wdr n SER 76 Cb 0.39 -0.13 0.01 0.00 -0.26 0.00 0.00 64.21 64.23 2wdr n SER 76 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2wdr n ASP 77 N -1.04 -5.69 -0.24 4.04 2.03 0.15 -1.42 116.55 114.38 2wdr n ASP 77 Ca 0.18 -0.14 -0.03 0.00 0.52 0.00 0.00 54.79 55.32 2wdr n ASP 77 Cb 0.21 -4.63 -0.01 0.00 -0.72 0.00 0.00 41.12 35.97 2wdr n ASP 77 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2wdr n TYR 78 N -4.22 0.00 0.01 -0.67 4.01 -1.07 -4.75 117.16 110.47 2wdr n TYR 78 Ca -0.17 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.63 2wdr n TYR 78 Cb 0.64 -1.06 0.13 0.00 -0.31 0.00 0.00 39.34 38.74 2wdr n TYR 78 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 2wdr n ILE 79 N -2.71 0.72 -2.38 -0.72 -5.35 -1.23 -4.81 119.36 102.87 2wdr n ILE 79 Ca -0.03 -0.86 -0.41 0.00 -0.27 0.00 0.00 62.75 61.18 2wdr n ILE 79 Cb 0.20 0.71 -0.04 0.00 -1.74 0.00 0.00 39.64 38.77 2wdr n ILE 79 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2wdr s GLY 80 N -0.99 2.77 -0.19 3.28 0.00 -1.26 -4.41 107.32 106.53 2wdr s GLY 80 Ca 0.21 0.95 -0.29 0.00 0.00 0.00 0.00 44.72 45.59 2wdr s GLY 80 CO 0.16 1.78 1.46 0.99 0.00 0.00 0.00 173.10 177.49 2wdr s ASP 81 N -0.11 6.65 0.34 1.64 1.01 -0.25 -4.64 116.67 121.30 2wdr s ASP 81 Ca 0.51 1.68 0.12 0.00 0.71 0.00 0.00 52.55 55.56 2wdr s ASP 81 Cb -0.33 -2.54 0.59 0.00 1.01 0.00 0.00 42.92 41.66 2wdr s ASP 81 CO 0.38 -1.02 1.75 1.56 0.21 0.00 0.00 175.17 178.06 2wdr h GLN 82 N 9.49 0.01 -0.37 8.23 4.20 -1.44 -1.94 115.11 133.30 2wdr h GLN 82 Ca -0.31 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.34 2wdr h GLN 82 Cb 1.13 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 2wdr h GLN 82 CO 0.99 0.46 0.01 0.38 -0.67 0.00 0.00 178.83 180.00 2wdr h ASP 83 N 0.01 0.62 -0.51 1.46 2.03 -1.79 0.04 116.42 118.29 2wdr h ASP 83 Ca -0.00 -0.30 -0.13 0.00 -0.73 0.00 0.00 57.03 55.87 2wdr h ASP 83 Cb 0.80 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.12 2wdr h ASP 83 CO 0.06 0.77 -0.18 0.00 -1.03 0.00 0.00 179.24 178.86 2wdr h ALA 84 N 0.88 0.70 -0.44 4.15 0.00 -1.89 -1.71 119.26 120.95 2wdr h ALA 84 Ca 0.11 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2wdr h ALA 84 Cb 0.44 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2wdr h ALA 84 CO 0.02 0.67 0.00 0.82 0.00 0.00 0.00 179.25 180.76 2wdr h ILE 85 N 0.88 1.23 -0.48 0.00 2.04 -1.25 -0.26 117.51 119.67 2wdr h ILE 85 Ca 0.12 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 2wdr h ILE 85 Cb 0.75 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 2wdr h ILE 85 CO 0.06 0.33 0.20 -0.08 0.00 0.00 0.00 178.15 178.66 2wdr h GLU 86 N 0.67 0.70 -0.92 2.37 4.81 -0.83 -1.86 114.58 119.53 2wdr h GLU 86 Ca 0.14 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2wdr h GLU 86 Cb 0.41 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 2wdr h GLU 86 CO 0.02 0.62 0.60 -0.92 -0.73 0.00 0.00 179.01 178.60 2wdr h TYR 87 N 0.63 1.12 0.36 0.92 3.20 -0.55 -2.13 116.97 120.52 2wdr h TYR 87 Ca 0.16 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 2wdr h TYR 87 Cb 0.18 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.07 2wdr h TYR 87 CO 0.00 0.66 -0.17 1.98 -1.64 0.00 0.00 178.16 178.99 2wdr h MET 88 N 1.17 -0.46 -0.43 1.82 4.05 -0.75 -1.68 114.93 118.65 2wdr h MET 88 Ca 0.36 0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.78 2wdr h MET 88 Cb -0.03 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 2wdr h MET 88 CO -0.11 -0.16 0.14 0.00 0.23 0.00 0.00 176.91 177.01 2wdr h LYS 90 N 0.62 -0.07 -0.03 0.00 1.63 -1.47 -3.25 116.57 113.99 2wdr h LYS 90 Ca 0.15 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.95 2wdr h LYS 90 Cb 0.19 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 2wdr h LYS 90 CO -0.01 0.43 0.01 1.15 -3.45 0.00 0.00 179.45 177.59 2wdr h THR 91 N -0.63 1.14 0.00 1.00 2.02 -1.16 -3.32 112.91 111.96 2wdr h THR 91 Ca -0.01 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2wdr h THR 91 Cb 0.54 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 2wdr h THR 91 CO 0.01 0.12 0.00 0.61 0.37 0.00 0.00 175.52 176.63 2wdr n GLY 92 N -0.63 0.00 0.41 2.16 0.00 0.13 -1.50 105.19 105.76 2wdr n GLY 92 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 2wdr n GLY 92 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wdr h PRO 93 N 0.00 -0.07 -0.57 1.61 0.11 -1.79 0.31 132.00 131.59 2wdr h PRO 93 Ca 0.00 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.15 2wdr h PRO 93 Cb 0.00 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.09 2wdr h PRO 93 CO 0.00 -0.05 0.34 1.49 -0.21 0.00 0.00 178.00 179.57 2wdr h GLU 94 N -0.07 0.64 0.00 1.05 4.81 -1.66 -0.71 114.58 118.64 2wdr h GLU 94 Ca 0.20 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2wdr h GLU 94 Cb 0.50 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 2wdr h GLU 94 CO -0.88 0.42 -0.10 0.00 -0.73 0.00 0.00 179.01 177.73 2wdr h ALA 95 N 1.27 1.27 0.11 2.92 0.00 -1.03 -1.84 119.26 121.95 2wdr h ALA 95 Ca 0.24 -0.09 -0.36 0.00 0.00 0.00 0.00 54.91 54.70 2wdr h ALA 95 Cb 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2wdr h ALA 95 CO -0.12 0.12 -2.02 -0.89 0.00 0.00 0.00 179.25 176.35 2wdr n ILE 96 N -3.60 1.75 -0.37 0.00 2.08 -0.16 -3.40 119.36 115.67 2wdr n ILE 96 Ca -0.02 -0.66 0.04 0.00 0.56 0.00 0.00 62.75 62.67 2wdr n ILE 96 Cb 0.22 -1.65 0.19 0.00 -0.75 0.00 0.00 39.64 37.66 2wdr n ILE 96 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2wdr h LEU 97 N 0.06 1.01 -0.97 1.39 3.38 -1.10 -0.83 115.31 118.25 2wdr h LEU 97 Ca -0.43 0.02 0.21 0.00 0.09 0.00 0.00 57.88 57.77 2wdr h LEU 97 Cb 2.03 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 42.47 2wdr h LEU 97 CO 0.08 0.62 0.56 -0.08 0.09 0.00 0.00 178.44 179.70 2wdr h GLU 98 N 1.13 0.63 -0.45 1.13 4.81 -1.48 -0.25 114.58 120.10 2wdr h GLU 98 Ca 0.45 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.55 2wdr h GLU 98 Cb 0.26 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2wdr h GLU 98 CO -0.20 0.42 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.33 2wdr h LEU 99 N 0.65 0.87 -1.36 1.64 3.38 -1.27 -2.43 115.31 116.79 2wdr h LEU 99 Ca 0.58 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 58.21 2wdr h LEU 99 Cb 0.99 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2wdr h LEU 99 CO -0.43 1.02 0.45 -0.08 0.09 0.00 0.00 178.44 179.49 2wdr h GLU 100 N 0.70 0.85 0.00 1.13 4.22 -0.90 0.86 114.58 121.44 2wdr h GLU 100 Ca 0.12 -0.05 -0.05 0.00 0.08 0.00 0.00 59.36 59.45 2wdr h GLU 100 Cb 0.64 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2wdr h GLU 100 CO 0.04 0.56 -0.26 0.45 -2.18 0.00 0.00 179.01 177.63 2wdr h HIS 101 N 0.87 0.00 0.00 0.92 3.86 -0.93 -1.46 115.15 118.40 2wdr h HIS 101 Ca 0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2wdr h HIS 101 Cb -0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.43 2wdr h HIS 101 CO -0.00 0.26 0.00 -1.33 0.86 0.00 0.00 177.93 177.72 2wdr n MET 102 N -3.70 0.09 0.00 2.45 2.81 0.22 -4.18 117.12 114.81 2wdr n MET 102 Ca -0.01 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 2wdr n MET 102 Cb 0.37 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 2wdr n MET 102 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wdr n GLY 103 N 1.08 0.83 3.69 3.03 0.00 -0.61 -4.14 105.19 109.08 2wdr n GLY 103 Ca 0.08 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.51 2wdr n GLY 103 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wdr n LEU 104 N 0.00 1.93 -3.49 0.99 0.00 -1.11 -4.28 117.00 111.05 2wdr n LEU 104 Ca 0.00 1.11 -0.40 0.00 0.00 0.00 0.00 56.01 56.72 2wdr n LEU 104 Cb 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 43.42 42.32 2wdr n LEU 104 CO 0.00 -0.67 3.09 -0.81 0.00 0.00 0.00 177.39 179.00 2wdr n PRO 105 N 4.53 3.40 -1.68 1.96 -0.04 -1.26 -4.24 135.00 137.67 2wdr n PRO 105 Ca 0.26 -2.41 -0.38 0.00 -0.04 0.00 0.00 63.50 60.93 2wdr n PRO 105 Cb 0.09 -2.99 0.05 0.00 -0.04 0.00 0.00 33.50 30.62 2wdr n PRO 105 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2wdr n PHE 106 N 4.50 1.59 -1.02 0.54 3.72 -1.26 -4.15 117.46 121.37 2wdr n PHE 106 Ca 0.68 0.44 -0.29 0.00 -0.05 0.00 0.00 57.45 58.22 2wdr n PHE 106 Cb 0.29 -2.25 0.18 0.00 -0.94 0.00 0.00 39.48 36.77 2wdr n PHE 106 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2wdr s SER 107 N -1.16 2.57 0.05 4.37 0.01 -0.75 -4.29 113.70 114.50 2wdr s SER 107 Ca 0.76 1.42 0.04 0.00 1.31 0.00 0.00 55.95 59.47 2wdr s SER 107 Cb -0.41 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 2wdr s SER 107 CO 0.46 -3.20 -0.11 -0.13 0.41 0.00 0.00 173.24 170.67 2wdr s ARG 108 N -4.83 0.70 0.74 12.44 1.81 -1.27 -0.98 118.95 127.56 2wdr s ARG 108 Ca 0.65 -0.82 -0.09 0.00 -1.72 0.00 0.00 55.73 53.75 2wdr s ARG 108 Cb -0.20 -0.61 0.06 0.00 -0.45 0.00 0.00 34.95 33.75 2wdr s ARG 108 CO 0.59 0.13 1.08 -0.51 -0.68 0.00 0.00 175.30 175.91 2wdr s LEU 109 N -1.53 2.73 0.35 2.53 1.43 0.49 -4.05 118.68 120.63 2wdr s LEU 109 Ca -0.05 0.69 0.04 0.00 -1.03 0.00 0.00 54.13 53.78 2wdr s LEU 109 Cb -0.09 -3.30 0.67 0.00 0.03 0.00 0.00 46.19 43.50 2wdr s LEU 109 CO 0.01 -1.65 1.99 0.44 0.23 0.00 0.00 176.35 177.37 2wdr h ASP 110 N -0.76 0.71 0.59 2.29 5.19 -2.03 -0.81 116.42 121.61 2wdr h ASP 110 Ca -0.45 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 2wdr h ASP 110 Cb 1.31 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.65 2wdr h ASP 110 CO 0.63 0.49 0.00 -0.90 -3.12 0.00 0.00 179.24 176.34 2wdr n ASP 111 N -4.46 0.00 0.00 6.45 5.68 -1.26 -4.24 116.55 118.72 2wdr n ASP 111 Ca 0.08 -0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 2wdr n ASP 111 Cb 0.12 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 2wdr n ASP 111 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wdr n GLY 112 N 1.09 1.07 3.95 6.12 0.00 -0.40 -4.40 105.19 112.63 2wdr n GLY 112 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2wdr n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdr s ARG 113 N -0.83 3.46 0.05 1.61 0.52 -1.26 -2.74 118.95 119.76 2wdr s ARG 113 Ca 0.00 -0.45 -0.33 0.00 -0.52 0.00 0.00 55.73 54.43 2wdr s ARG 113 Cb 0.00 -2.72 -0.12 0.00 0.52 0.00 0.00 34.95 32.64 2wdr s ARG 113 CO 0.00 0.20 1.80 -0.89 0.02 0.00 0.00 175.30 176.43 2wdr n ILE 114 N -1.70 0.38 -1.97 1.52 5.41 -1.27 0.36 119.36 122.10 2wdr n ILE 114 Ca -0.06 -0.07 -0.41 0.00 1.00 0.00 0.00 62.75 63.21 2wdr n ILE 114 Cb 0.56 -1.89 -0.02 0.00 -0.71 0.00 0.00 39.64 37.58 2wdr n ILE 114 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 2wdr s TYR 115 N 2.89 2.95 0.02 1.39 5.04 -0.63 -4.27 117.35 124.74 2wdr s TYR 115 Ca 0.86 1.04 0.06 0.00 -2.44 0.00 0.00 57.07 56.59 2wdr s TYR 115 Cb -0.61 -3.86 -0.02 0.00 0.35 0.00 0.00 41.96 37.83 2wdr s TYR 115 CO 0.43 -2.74 -0.18 -0.65 -1.34 0.00 0.00 175.55 171.07 2wdr s GLN 116 N -0.68 1.33 0.14 4.97 -0.21 -1.26 -2.34 119.66 121.62 2wdr s GLN 116 Ca 0.58 -0.78 0.08 0.00 0.02 0.00 0.00 55.36 55.27 2wdr s GLN 116 Cb -0.43 -1.36 -0.04 0.00 1.00 0.00 0.00 33.01 32.18 2wdr s GLN 116 CO 0.46 0.36 -0.19 -0.98 -2.12 0.00 0.00 175.29 172.82 2wdr s ARG 117 N -0.84 1.22 0.68 2.91 1.70 0.12 -4.55 118.95 120.19 2wdr s ARG 117 Ca 0.06 -1.32 -0.17 0.00 -0.47 0.00 0.00 55.73 53.84 2wdr s ARG 117 Cb -0.08 -1.34 0.01 0.00 -0.57 0.00 0.00 34.95 32.98 2wdr s ARG 117 CO 0.01 0.28 1.22 -2.14 -1.08 0.00 0.00 175.30 173.59 2wdr s PRO 118 N -2.50 2.45 0.25 3.89 0.02 -1.26 -1.50 135.00 136.35 2wdr s PRO 118 Ca 0.12 1.83 -0.16 0.00 0.02 0.00 0.00 61.00 62.82 2wdr s PRO 118 Cb -0.07 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.59 2wdr s PRO 118 CO 0.06 -1.62 0.55 0.12 -0.33 0.00 0.00 177.00 175.78 2wdr s PHE 119 N -1.77 0.15 0.13 6.54 5.36 -1.26 -4.11 117.98 123.02 2wdr s PHE 119 Ca 0.77 -0.54 -0.31 0.00 -0.96 0.00 0.00 56.93 55.88 2wdr s PHE 119 Cb -0.31 0.36 -0.10 0.00 -0.34 0.00 0.00 43.02 42.63 2wdr s PHE 119 CO 0.41 -1.06 1.80 0.20 -1.46 0.00 0.00 175.22 175.11 2wdr s GLY 120 N -2.97 1.33 -0.23 13.12 0.00 -1.26 -3.56 107.32 113.74 2wdr s GLY 120 Ca 0.18 1.46 -0.01 0.00 0.00 0.00 0.00 44.72 46.35 2wdr s GLY 120 CO 0.07 3.08 0.20 0.61 0.00 0.00 0.00 173.10 177.07 2wdr n GLY 121 N 4.17 0.38 2.70 0.20 0.00 -0.38 -3.98 105.19 108.29 2wdr n GLY 121 Ca 0.17 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 2wdr n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wdr s GLN 122 N -3.79 0.43 0.10 1.61 -0.21 -1.24 -4.69 119.66 111.87 2wdr s GLN 122 Ca 0.05 -0.17 0.06 0.00 0.02 0.00 0.00 55.36 55.31 2wdr s GLN 122 Cb -0.01 -1.71 -0.03 0.00 1.00 0.00 0.00 33.01 32.26 2wdr s GLN 122 CO 0.15 -0.57 -0.15 -1.54 -2.12 0.00 0.00 175.29 171.07 2wdr s SER 123 N 1.98 1.92 0.27 5.90 1.04 -1.26 0.12 113.70 123.67 2wdr s SER 123 Ca 0.01 -0.71 -0.04 0.00 0.48 0.00 0.00 55.95 55.69 2wdr s SER 123 Cb -0.16 -0.07 -0.05 0.00 0.10 0.00 0.00 66.02 65.85 2wdr s SER 123 CO -0.07 -0.09 0.52 -0.54 0.98 0.00 0.00 173.24 174.04 2wdr s LYS 124 N -2.15 3.62 -1.26 4.02 1.02 0.56 -4.44 119.74 121.11 2wdr s LYS 124 Ca 0.04 -0.05 -0.04 0.00 0.02 0.00 0.00 55.97 55.94 2wdr s LYS 124 Cb -0.08 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 34.54 2wdr s LYS 124 CO 0.03 0.26 0.72 0.09 -0.92 0.00 0.00 175.35 175.52 2wdr n ASN 125 N -0.83 -2.38 -3.48 2.83 4.13 -1.26 -0.05 115.26 114.22 2wdr n ASN 125 Ca -0.02 -0.86 -0.15 0.00 1.68 0.00 0.00 54.58 55.23 2wdr n ASN 125 Cb 0.54 -3.99 0.00 0.00 -1.54 0.00 0.00 39.78 34.79 2wdr n ASN 125 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2wdr n PHE 126 N -4.16 -2.41 -0.33 3.10 3.72 -1.26 -3.24 117.46 112.88 2wdr n PHE 126 Ca -0.24 0.92 0.00 0.00 -0.05 0.00 0.00 57.45 58.08 2wdr n PHE 126 Cb 0.66 -3.39 0.00 0.00 -0.94 0.00 0.00 39.48 35.81 2wdr n PHE 126 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wdr n GLY 127 N -1.71 0.80 0.00 1.37 0.00 -1.25 -4.97 105.19 99.44 2wdr n GLY 127 Ca -0.17 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2wdr n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdr n GLY 128 N -2.33 1.00 3.74 -0.02 0.00 0.77 -4.87 105.19 103.48 2wdr n GLY 128 Ca 0.00 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 2wdr n GLY 128 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wdr s GLU 129 N 2.29 2.49 0.24 1.61 2.12 -1.23 -4.43 118.70 121.78 2wdr s GLU 129 Ca 0.00 1.61 -0.30 0.00 0.36 0.00 0.00 54.97 56.64 2wdr s GLU 129 Cb 0.00 -1.89 -0.11 0.00 0.26 0.00 0.00 34.13 32.39 2wdr s GLU 129 CO 0.00 -1.54 1.54 -1.14 -0.54 0.00 0.00 175.26 173.59 2wdr s GLN 130 N -3.92 4.20 0.39 4.30 2.00 -1.26 -0.20 119.66 125.16 2wdr s GLN 130 Ca 0.72 2.43 0.08 0.00 -2.00 0.00 0.00 55.36 56.58 2wdr s GLN 130 Cb -0.26 -3.09 -0.03 0.00 0.80 0.00 0.00 33.01 30.44 2wdr s GLN 130 CO 0.42 -0.56 0.29 0.00 -0.50 0.00 0.00 175.29 174.95 2wdr s ALA 131 N 0.34 3.85 -0.41 1.58 0.00 0.99 -4.60 121.76 123.51 2wdr s ALA 131 Ca 0.64 -1.90 0.01 0.00 0.00 0.00 0.00 51.96 50.72 2wdr s ALA 131 Cb -0.45 -0.86 0.14 0.00 0.00 0.00 0.00 23.12 21.96 2wdr s ALA 131 CO 0.41 -0.15 0.24 0.00 0.00 0.00 0.00 175.76 176.27 2wdr s ALA 132 N -2.47 1.60 -0.10 0.00 0.00 -1.26 -4.10 121.76 115.42 2wdr s ALA 132 Ca 0.44 -2.30 0.14 0.00 0.00 0.00 0.00 51.96 50.24 2wdr s ALA 132 Cb -0.02 -1.75 0.26 0.00 0.00 0.00 0.00 23.12 21.61 2wdr s ALA 132 CO 0.26 -2.08 1.13 2.89 0.00 0.00 0.00 175.76 177.96 2wdr n ARG 133 N 3.65 0.92 -3.32 0.00 1.85 -1.11 -4.02 116.66 114.63 2wdr n ARG 133 Ca 0.12 -2.29 -0.45 0.00 -1.00 0.00 0.00 57.85 54.24 2wdr n ARG 133 Cb 0.37 -1.16 -0.07 0.00 -1.05 0.00 0.00 32.46 30.55 2wdr n ARG 133 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2wdr s THR 134 N -2.01 5.15 0.15 8.89 2.01 -0.69 -1.46 115.64 127.68 2wdr s THR 134 Ca 0.26 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 2wdr s THR 134 Cb 0.24 -4.20 -0.07 0.00 0.01 0.00 0.00 72.50 68.47 2wdr s THR 134 CO -0.01 -0.69 1.13 0.00 -0.69 0.00 0.00 174.62 174.36 2wdr s ALA 135 N 1.86 3.38 0.09 7.40 0.00 0.49 -0.46 121.76 134.51 2wdr s ALA 135 Ca 0.06 0.83 -0.09 0.00 0.00 0.00 0.00 51.96 52.76 2wdr s ALA 135 Cb -0.24 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2wdr s ALA 135 CO 0.07 -0.27 0.21 0.00 0.00 0.00 0.00 175.76 175.77 2wdr s ALA 136 N 0.04 -0.30 -0.38 0.00 0.00 -1.09 0.68 121.76 120.70 2wdr s ALA 136 Ca 0.51 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.90 2wdr s ALA 136 Cb -0.30 0.49 0.09 0.00 0.00 0.00 0.00 23.12 23.40 2wdr s ALA 136 CO 0.34 -0.51 0.15 0.00 0.00 0.00 0.00 175.76 175.75 2wdr s ALA 137 N -3.75 3.08 0.00 0.00 0.00 -1.26 -1.45 121.76 118.38 2wdr s ALA 137 Ca 0.04 -2.23 0.00 0.00 0.00 0.00 0.00 51.96 49.77 2wdr s ALA 137 Cb 0.04 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.84 2wdr s ALA 137 CO -0.11 -1.62 0.00 0.00 0.00 0.00 0.00 175.76 174.04 2wdr n ALA 138 N 4.66 0.00 -1.77 0.00 0.00 -1.26 -0.67 120.51 121.47 2wdr n ALA 138 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 2wdr n ALA 138 Cb 0.42 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.97 2wdr n ALA 138 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wdr n ASP 139 N 1.25 4.01 -0.34 0.00 5.75 -1.20 -4.35 116.55 121.68 2wdr n ASP 139 Ca 0.00 -3.80 0.07 0.00 -0.01 0.00 0.00 54.79 51.05 2wdr n ASP 139 Cb 0.00 -0.49 0.13 0.00 -1.03 0.00 0.00 41.12 39.73 2wdr n ASP 139 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wdr n ARG 140 N -0.90 1.12 -0.13 0.11 1.74 -0.24 -3.95 116.66 114.40 2wdr n ARG 140 Ca 0.38 -2.52 -0.04 0.00 -0.77 0.00 0.00 57.85 54.90 2wdr n ARG 140 Cb 0.89 -1.31 0.02 0.00 -1.02 0.00 0.00 32.46 31.04 2wdr n ARG 140 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2wdr h THR 141 N 1.58 0.56 -0.81 0.55 2.02 -1.43 -0.31 112.91 115.07 2wdr h THR 141 Ca -0.01 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.31 2wdr h THR 141 Cb 1.11 0.56 -0.09 0.00 -1.74 0.00 0.00 68.15 67.98 2wdr h THR 141 CO 0.01 0.00 0.38 1.23 0.37 0.00 0.00 175.52 177.51 2wdr h GLY 142 N -0.01 1.28 0.83 2.16 0.00 -0.93 0.34 103.07 106.74 2wdr h GLY 142 Ca 0.21 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.34 2wdr h GLY 142 CO -0.45 -0.06 -0.02 0.84 0.00 0.00 0.00 176.54 176.86 2wdr h HIS 143 N 0.55 -0.04 -0.40 5.60 6.17 -0.53 0.09 115.15 126.60 2wdr h HIS 143 Ca 0.44 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.52 2wdr h HIS 143 Cb 0.64 0.03 -0.02 0.00 2.52 0.00 0.00 27.41 30.58 2wdr h HIS 143 CO -0.12 -0.03 0.21 0.00 0.71 0.00 0.00 177.93 178.69 2wdr h ALA 144 N 1.09 0.51 0.15 5.26 0.00 -0.12 -1.82 119.26 124.34 2wdr h ALA 144 Ca 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wdr h ALA 144 Cb 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2wdr h ALA 144 CO -0.09 0.05 -0.10 1.25 0.00 0.00 0.00 179.25 180.36 2wdr h LEU 145 N 0.51 -0.25 -0.05 0.00 5.85 -0.29 -1.87 115.31 119.20 2wdr h LEU 145 Ca 0.14 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2wdr h LEU 145 Cb 0.08 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 2wdr h LEU 145 CO -0.02 -0.16 0.02 0.25 -0.34 0.00 0.00 178.44 178.19 2wdr h LEU 146 N -0.25 0.07 -1.25 2.25 5.85 -0.91 -1.07 115.31 120.00 2wdr h LEU 146 Ca -0.01 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 2wdr h LEU 146 Cb 0.21 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2wdr h LEU 146 CO 0.01 0.23 0.36 0.45 -0.34 0.00 0.00 178.44 179.14 2wdr h HIS 147 N -0.08 0.85 -0.18 1.25 3.86 -1.39 -0.38 115.15 119.07 2wdr h HIS 147 Ca 0.02 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2wdr h HIS 147 Cb 0.18 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 2wdr h HIS 147 CO -0.02 0.59 0.08 1.15 0.86 0.00 0.00 177.93 180.59 2wdr h THR 148 N 0.88 1.15 -0.03 2.45 2.02 -1.05 -1.44 112.91 116.89 2wdr h THR 148 Ca 0.23 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 2wdr h THR 148 Cb 0.01 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2wdr h THR 148 CO -0.04 0.15 -0.18 -0.07 0.37 0.00 0.00 175.52 175.74 2wdr h LEU 149 N 0.15 0.04 -0.08 2.58 3.38 -0.55 0.55 115.31 121.38 2wdr h LEU 149 Ca 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2wdr h LEU 149 Cb 0.16 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2wdr h LEU 149 CO -0.01 0.23 -0.03 0.22 0.09 0.00 0.00 178.44 178.95 2wdr h TYR 150 N 0.04 0.18 -0.77 1.13 3.20 -0.86 -1.34 116.97 118.56 2wdr h TYR 150 Ca 0.01 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.84 2wdr h TYR 150 Cb 0.35 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 2wdr h TYR 150 CO 0.00 0.51 0.51 1.96 -1.64 0.00 0.00 178.16 179.50 2wdr h GLN 151 N -0.19 1.02 -0.55 1.82 4.20 -0.58 0.27 115.11 121.10 2wdr h GLN 151 Ca 0.02 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2wdr h GLN 151 Cb 0.45 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2wdr h GLN 151 CO 0.01 0.68 0.08 1.96 -0.67 0.00 0.00 178.83 180.89 2wdr h GLN 152 N 1.05 0.89 -0.20 1.46 1.08 -0.83 0.12 115.11 118.68 2wdr h GLN 152 Ca 0.28 -0.21 -0.15 0.00 -1.45 0.00 0.00 58.65 57.12 2wdr h GLN 152 Cb -0.12 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.19 2wdr h GLN 152 CO -0.06 0.83 -0.52 -0.91 -0.95 0.00 0.00 178.83 177.22 2wdr h ASN 153 N 0.84 0.61 0.51 1.46 2.35 -0.02 -1.95 115.58 119.38 2wdr h ASN 153 Ca 0.17 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 2wdr h ASN 153 Cb 0.38 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2wdr h ASN 153 CO 0.01 1.02 -0.25 -0.07 -1.65 0.00 0.00 177.43 176.49 2wdr h LEU 154 N 0.44 -0.59 -1.14 1.61 3.38 -0.22 -1.73 115.31 117.07 2wdr h LEU 154 Ca 0.02 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.20 2wdr h LEU 154 Cb 1.05 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.86 2wdr h LEU 154 CO 0.10 -0.42 0.61 0.50 0.09 0.00 0.00 178.44 179.33 2wdr h LYS 155 N -0.69 0.67 -0.30 1.13 3.64 -0.82 -0.66 116.57 119.55 2wdr h LYS 155 Ca -0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2wdr h LYS 155 Cb 0.53 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2wdr h LYS 155 CO 0.11 0.44 0.00 -1.71 -2.27 0.00 0.00 179.45 176.03 2wdr n ASN 156 N -4.69 1.89 -3.39 4.20 2.85 -0.79 -4.52 115.26 110.82 2wdr n ASN 156 Ca 0.22 -1.90 -0.25 0.00 -0.11 0.00 0.00 54.58 52.54 2wdr n ASN 156 Cb 0.59 -0.20 0.02 0.00 1.24 0.00 0.00 39.78 41.43 2wdr n ASN 156 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2wdr n HIS 157 N 0.51 -2.00 -1.82 1.20 8.25 -0.30 -4.64 115.22 116.42 2wdr n HIS 157 Ca 0.14 0.60 -0.41 0.00 -0.26 0.00 0.00 57.72 57.79 2wdr n HIS 157 Cb 0.32 -3.73 -0.00 0.00 1.12 0.00 0.00 29.99 27.70 2wdr n HIS 157 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wdr s THR 158 N -3.10 2.09 -0.46 1.59 2.01 -0.75 -4.68 115.64 112.34 2wdr s THR 158 Ca 0.44 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.24 2wdr s THR 158 Cb -0.22 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.25 2wdr s THR 158 CO 0.54 0.02 1.28 -0.89 -0.69 0.00 0.00 174.62 174.88 2wdr s THR 159 N -1.13 4.02 -0.25 -0.82 2.01 -1.26 -4.65 115.64 113.57 2wdr s THR 159 Ca 0.53 1.02 -0.01 0.00 0.31 0.00 0.00 61.69 63.54 2wdr s THR 159 Cb -0.46 -4.43 0.03 0.00 0.01 0.00 0.00 72.50 67.65 2wdr s THR 159 CO 0.62 -0.94 -0.07 -0.63 -0.69 0.00 0.00 174.62 172.91 2wdr s ILE 160 N 5.06 2.84 -1.01 1.82 1.01 -1.26 -0.28 121.20 129.38 2wdr s ILE 160 Ca 0.54 -1.03 -0.17 0.00 0.00 0.00 0.00 60.65 59.99 2wdr s ILE 160 Cb -0.10 -2.44 0.15 0.00 0.01 0.00 0.00 42.46 40.08 2wdr s ILE 160 CO 0.31 0.21 1.20 -0.36 0.00 0.00 0.00 174.94 176.30 2wdr s PHE 161 N 1.32 3.27 0.36 3.97 0.08 0.48 -4.64 117.98 122.82 2wdr s PHE 161 Ca 0.00 -1.65 -0.26 0.00 0.12 0.00 0.00 56.93 55.15 2wdr s PHE 161 Cb -0.17 -4.27 -0.09 0.00 -0.57 0.00 0.00 43.02 37.93 2wdr s PHE 161 CO -0.05 -1.43 1.05 0.45 -0.10 0.00 0.00 175.22 175.14 2wdr s SER 162 N 3.31 6.95 -1.28 1.36 0.15 -1.26 -2.42 113.70 120.51 2wdr s SER 162 Ca 0.35 2.08 -0.07 0.00 0.70 0.00 0.00 55.95 59.01 2wdr s SER 162 Cb -0.04 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.66 2wdr s SER 162 CO -0.07 -0.36 0.64 -0.62 1.20 0.00 0.00 173.24 174.04 2wdr n GLU 163 N 0.33 -3.16 -5.12 5.44 1.02 0.28 -4.57 120.64 114.86 2wdr n GLU 163 Ca 0.03 0.51 -0.32 0.00 -0.02 0.00 0.00 57.16 57.36 2wdr n GLU 163 Cb 0.48 -4.67 -0.16 0.00 -0.02 0.00 0.00 31.44 27.08 2wdr n GLU 163 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2wdr s TRP 164 N -3.69 2.55 -0.30 -0.32 0.52 -0.57 -1.59 118.94 115.54 2wdr s TRP 164 Ca 0.16 -0.64 -0.09 0.00 0.02 0.00 0.00 56.10 55.56 2wdr s TRP 164 Cb -0.05 -1.65 -0.01 0.00 -1.15 0.00 0.00 33.47 30.61 2wdr s TRP 164 CO 0.85 -0.16 0.12 -0.47 0.02 0.00 0.00 176.95 177.31 2wdr s TYR 165 N -0.14 3.16 0.11 -1.98 5.04 0.41 -2.59 117.35 121.36 2wdr s TYR 165 Ca -0.03 -0.64 -0.31 0.00 -2.44 0.00 0.00 57.07 53.65 2wdr s TYR 165 Cb -0.14 -2.31 -0.08 0.00 0.35 0.00 0.00 41.96 39.77 2wdr s TYR 165 CO 0.04 -0.47 1.47 0.00 -1.34 0.00 0.00 175.55 175.25 2wdr s ALA 166 N 1.59 3.65 0.00 3.97 0.00 -1.26 0.55 121.76 130.26 2wdr s ALA 166 Ca 0.04 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2wdr s ALA 166 Cb -0.17 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2wdr s ALA 166 CO 0.05 -0.74 0.00 1.28 0.00 0.00 0.00 175.76 176.35 2wdr n LEU 167 N 4.24 0.37 -3.72 0.00 4.77 0.76 -4.68 117.00 118.74 2wdr n LEU 167 Ca 0.13 0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.25 2wdr n LEU 167 Cb 0.41 -0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 2wdr n LEU 167 CO 0.60 -0.40 0.07 -1.81 -1.33 0.00 0.00 177.39 174.51 2wdr s ASP 168 N -2.91 -0.17 0.72 -1.43 1.01 -1.23 -4.66 116.67 108.00 2wdr s ASP 168 Ca 0.00 -0.17 -0.14 0.00 0.71 0.00 0.00 52.55 52.95 2wdr s ASP 168 Cb 0.00 0.38 0.03 0.00 1.01 0.00 0.00 42.92 44.35 2wdr s ASP 168 CO 0.00 -0.65 1.15 -0.76 0.21 0.00 0.00 175.17 175.12 2wdr s LEU 169 N -2.14 3.29 -0.13 1.23 1.43 -1.26 -1.95 118.68 119.14 2wdr s LEU 169 Ca -0.04 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 2wdr s LEU 169 Cb -0.00 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.64 2wdr s LEU 169 CO -0.04 -2.06 -0.14 -0.69 0.23 0.00 0.00 176.35 173.65 2wdr s VAL 170 N -2.24 3.00 -0.09 -1.59 1.01 -0.41 -4.56 120.40 115.51 2wdr s VAL 170 Ca 0.70 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 2wdr s VAL 170 Cb -0.24 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2wdr s VAL 170 CO 0.45 0.53 -0.07 -0.54 0.00 0.00 0.00 175.10 175.47 2wdr s LYS 171 N 0.35 3.03 0.75 2.72 1.02 -1.26 -0.91 119.74 125.44 2wdr s LYS 171 Ca -0.11 -0.57 -0.10 0.00 0.02 0.00 0.00 55.97 55.20 2wdr s LYS 171 Cb -0.16 -2.66 0.06 0.00 -0.52 0.00 0.00 37.83 34.55 2wdr s LYS 171 CO 0.06 0.51 1.11 0.54 -0.92 0.00 0.00 175.35 176.65 2wdr s ASN 172 N -0.38 4.84 0.00 2.83 4.22 0.02 -4.74 114.94 121.73 2wdr s ASN 172 Ca 0.05 0.79 0.05 0.00 -2.14 0.00 0.00 52.86 51.61 2wdr s ASN 172 Cb -0.12 -1.41 0.28 0.00 1.28 0.00 0.00 41.25 41.28 2wdr s ASN 172 CO 0.02 -1.67 0.65 0.00 -2.04 0.00 0.00 177.10 174.06 2wdr n GLN 173 N -3.13 0.27 0.00 3.55 10.64 -1.26 -0.37 117.38 127.08 2wdr n GLN 173 Ca 0.08 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.33 2wdr n GLN 173 Cb 0.60 -1.27 0.03 0.00 -0.86 0.00 0.00 30.24 28.74 2wdr n GLN 173 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2wdr n ASP 174 N -0.77 2.02 0.00 2.61 8.00 -1.26 -4.90 116.55 122.25 2wdr n ASP 174 Ca 0.04 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 54.03 2wdr n ASP 174 Cb 0.02 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 2wdr n ASP 174 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdr n GLY 175 N 1.15 0.70 3.84 0.44 0.00 0.40 -4.98 105.19 106.74 2wdr n GLY 175 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 2wdr n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdr s ALA 176 N -2.45 3.32 -0.31 4.61 0.00 -1.26 -4.69 121.76 120.98 2wdr s ALA 176 Ca 0.00 0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.85 2wdr s ALA 176 Cb 0.00 -2.82 -0.00 0.00 0.00 0.00 0.00 23.12 20.30 2wdr s ALA 176 CO 0.00 0.31 0.71 0.08 0.00 0.00 0.00 175.76 176.86 2wdr s VAL 177 N -1.88 4.86 -0.33 0.00 1.01 0.48 -0.71 120.40 123.83 2wdr s VAL 177 Ca 0.52 0.97 0.06 0.00 0.00 0.00 0.00 61.98 63.54 2wdr s VAL 177 Cb -0.12 -4.08 0.46 0.00 0.00 0.00 0.00 36.38 32.63 2wdr s VAL 177 CO 0.18 -0.22 1.24 1.33 0.00 0.00 0.00 175.10 177.63 2wdr n VAL 178 N 5.50 2.60 0.00 2.92 0.24 -0.18 -4.17 118.33 125.23 2wdr n VAL 178 Ca 0.01 -4.20 0.00 0.00 -2.04 0.00 0.00 64.34 58.12 2wdr n VAL 178 Cb 0.48 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 2wdr n VAL 178 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdr n GLY 179 N -0.70 0.07 3.44 7.63 0.00 -1.25 -3.14 105.19 111.24 2wdr n GLY 179 Ca 0.45 -2.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 2wdr n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdr s THR 181 N -3.71 4.84 0.01 0.00 -4.23 -0.89 -0.89 115.64 110.77 2wdr s THR 181 Ca 0.02 0.72 -0.04 0.00 -1.18 0.00 0.00 61.69 61.20 2wdr s THR 181 Cb -0.01 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 2wdr s THR 181 CO -0.12 0.03 0.07 0.00 -0.54 0.00 0.00 174.62 174.06 2wdr s ALA 182 N -1.72 -0.15 -0.25 3.99 0.00 -0.32 -0.00 121.76 123.32 2wdr s ALA 182 Ca 0.45 -0.32 -0.05 0.00 0.00 0.00 0.00 51.96 52.04 2wdr s ALA 182 Cb -0.13 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 2wdr s ALA 182 CO 0.20 -0.19 0.01 -1.17 0.00 0.00 0.00 175.76 174.61 2wdr s LEU 183 N -1.42 3.25 -0.26 0.00 2.96 0.15 -0.98 118.68 122.38 2wdr s LEU 183 Ca -0.15 -0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 53.03 2wdr s LEU 183 Cb -0.09 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 2wdr s LEU 183 CO 0.01 -0.07 1.58 0.00 -1.32 0.00 0.00 176.35 176.55 2wdr h ILE 185 N 6.24 1.20 0.34 0.00 2.04 -1.71 0.33 117.51 125.94 2wdr h ILE 185 Ca -0.32 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 2wdr h ILE 185 Cb 1.14 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2wdr h ILE 185 CO 1.02 0.21 -0.16 -0.08 0.00 0.00 0.00 178.15 179.14 2wdr h GLU 186 N 0.89 -0.43 0.00 2.37 4.81 -1.90 -2.28 114.58 118.04 2wdr h GLU 186 Ca 0.23 0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 2wdr h GLU 186 Cb 0.01 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2wdr h GLU 186 CO -0.04 -0.28 -1.87 0.25 -0.73 0.00 0.00 179.01 176.34 2wdr n THR 187 N -5.27 0.47 -0.41 0.32 -2.24 -1.19 -0.99 114.28 104.98 2wdr n THR 187 Ca -0.10 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2wdr n THR 187 Cb 0.20 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 2wdr n THR 187 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdr n GLY 188 N 1.36 0.81 3.76 3.38 0.00 0.11 -4.16 105.19 110.45 2wdr n GLY 188 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2wdr n GLY 188 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wdr s GLU 189 N -0.54 3.65 -0.11 1.61 2.12 -1.24 -4.42 118.70 119.77 2wdr s GLU 189 Ca 0.00 2.04 0.02 0.00 0.36 0.00 0.00 54.97 57.38 2wdr s GLU 189 Cb 0.00 -2.48 -0.01 0.00 0.26 0.00 0.00 34.13 31.89 2wdr s GLU 189 CO 0.00 -0.71 -0.16 0.08 -0.54 0.00 0.00 175.26 173.93 2wdr s VAL 190 N -1.38 2.84 0.12 3.70 1.01 -1.26 0.11 120.40 125.53 2wdr s VAL 190 Ca 0.64 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.90 2wdr s VAL 190 Cb -0.35 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2wdr s VAL 190 CO 0.43 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 175.30 2wdr s VAL 191 N 0.13 0.95 -0.33 2.92 1.01 -0.31 -4.30 120.40 120.46 2wdr s VAL 191 Ca -0.08 -1.91 -0.08 0.00 0.00 0.00 0.00 61.98 59.91 2wdr s VAL 191 Cb -0.15 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.59 2wdr s VAL 191 CO 0.05 -0.74 0.12 -0.47 0.00 0.00 0.00 175.10 174.06 2wdr s TYR 192 N -3.20 3.21 -0.39 5.22 5.04 -0.71 -1.02 117.35 125.50 2wdr s TYR 192 Ca 0.12 -1.11 -0.25 0.00 -2.44 0.00 0.00 57.07 53.39 2wdr s TYR 192 Cb 0.02 -2.31 0.02 0.00 0.35 0.00 0.00 41.96 40.04 2wdr s TYR 192 CO -0.01 -0.64 0.89 -0.06 -1.34 0.00 0.00 175.55 174.39 2wdr s PHE 193 N 1.48 3.05 -0.30 4.97 0.08 -0.20 -0.60 117.98 126.45 2wdr s PHE 193 Ca 0.01 0.61 -0.12 0.00 0.12 0.00 0.00 56.93 57.56 2wdr s PHE 193 Cb -0.18 -3.67 -0.04 0.00 -0.57 0.00 0.00 43.02 38.56 2wdr s PHE 193 CO 0.04 -0.87 0.21 0.21 -0.10 0.00 0.00 175.22 174.70 2wdr s LYS 194 N 3.45 3.76 0.04 0.44 2.20 0.20 -1.28 119.74 128.54 2wdr s LYS 194 Ca 0.36 -0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.54 2wdr s LYS 194 Cb -0.12 -3.71 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 2wdr s LYS 194 CO 0.20 -0.29 -0.08 0.00 -0.36 0.00 0.00 175.35 174.82 2wdr s ALA 195 N 1.74 0.60 -0.86 3.13 0.00 -1.20 -0.28 121.76 124.90 2wdr s ALA 195 Ca 0.07 -0.78 0.27 0.00 0.00 0.00 0.00 51.96 51.52 2wdr s ALA 195 Cb -0.17 0.04 0.98 0.00 0.00 0.00 0.00 23.12 23.97 2wdr s ALA 195 CO 0.11 -0.01 1.82 0.54 0.00 0.00 0.00 175.76 178.21 2wdr n ARG 196 N 1.45 0.14 -3.45 0.00 1.74 -0.77 -3.76 116.66 112.01 2wdr n ARG 196 Ca -0.23 0.11 -0.12 0.00 -0.77 0.00 0.00 57.85 56.84 2wdr n ARG 196 Cb 0.55 -1.66 -0.10 0.00 -1.02 0.00 0.00 32.46 30.23 2wdr n ARG 196 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdr s ALA 197 N -3.06 -0.83 -0.36 7.54 0.00 -0.81 -4.40 121.76 119.85 2wdr s ALA 197 Ca 0.12 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 2wdr s ALA 197 Cb 0.15 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.79 2wdr s ALA 197 CO 0.57 -1.14 0.23 0.99 0.00 0.00 0.00 175.76 176.41 2wdr s THR 198 N 2.48 4.98 -0.41 0.00 2.01 0.85 -1.35 115.64 124.20 2wdr s THR 198 Ca 0.09 -0.49 -0.13 0.00 0.31 0.00 0.00 61.69 61.47 2wdr s THR 198 Cb -0.15 -3.64 0.04 0.00 0.01 0.00 0.00 72.50 68.76 2wdr s THR 198 CO -0.14 -0.10 0.28 -0.69 -0.69 0.00 0.00 174.62 173.27 2wdr s VAL 199 N 1.65 4.84 -0.06 3.82 1.01 -0.53 -0.83 120.40 130.31 2wdr s VAL 199 Ca 0.05 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2wdr s VAL 199 Cb -0.18 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2wdr s VAL 199 CO 0.09 -0.36 1.15 -0.76 0.00 0.00 0.00 175.10 175.21 2wdr s LEU 200 N 1.59 4.28 -0.42 3.92 1.43 0.12 -1.08 118.68 128.52 2wdr s LEU 200 Ca 0.03 1.76 0.09 0.00 -1.03 0.00 0.00 54.13 54.98 2wdr s LEU 200 Cb -0.21 -3.56 0.32 0.00 0.03 0.00 0.00 46.19 42.77 2wdr s LEU 200 CO 0.07 -0.54 0.86 0.00 0.23 0.00 0.00 176.35 176.97 2wdr n ALA 201 N 5.03 0.72 0.29 4.21 0.00 0.27 -1.53 120.51 129.50 2wdr n ALA 201 Ca 0.10 -2.51 0.09 0.00 0.00 0.00 0.00 53.44 51.12 2wdr n ALA 201 Cb 0.47 -1.04 0.15 0.00 0.00 0.00 0.00 19.45 19.03 2wdr n ALA 201 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wdr n THR 202 N 0.59 0.44 -4.29 0.00 -2.24 -1.24 -3.90 114.28 103.64 2wdr n THR 202 Ca 0.16 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2wdr n THR 202 Cb 0.66 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 2wdr n THR 202 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdr n GLY 203 N 1.04 -0.62 0.97 3.38 0.00 -1.26 -4.51 105.19 104.18 2wdr n GLY 203 Ca 0.14 -1.13 -0.07 0.00 0.00 0.00 0.00 46.02 44.96 2wdr n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdr n GLY 204 N 0.00 -0.25 1.40 -0.02 0.00 -1.26 -3.50 105.19 101.55 2wdr n GLY 204 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2wdr n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdr n ALA 205 N -3.10 2.83 0.00 4.61 0.00 -1.26 -2.36 120.51 121.24 2wdr n ALA 205 Ca -0.05 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.59 2wdr n ALA 205 Cb 0.15 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2wdr n ALA 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdr n GLY 206 N 0.27 -0.08 0.36 0.00 0.00 -1.24 -1.48 105.19 103.02 2wdr n GLY 206 Ca -0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.10 2wdr n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdr n ARG 207 N -1.07 1.36 0.00 1.61 5.12 -1.12 -2.63 116.66 119.92 2wdr n ARG 207 Ca 0.00 -0.73 0.09 0.00 -1.93 0.00 0.00 57.85 55.27 2wdr n ARG 207 Cb 0.00 -1.48 0.42 0.00 -1.16 0.00 0.00 32.46 30.24 2wdr n ARG 207 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2wdr n ILE 208 N -0.18 0.61 -3.33 0.55 -5.35 -0.73 -4.47 119.36 106.45 2wdr n ILE 208 Ca 0.17 0.15 -0.22 0.00 -0.27 0.00 0.00 62.75 62.59 2wdr n ILE 208 Cb 0.33 -0.86 0.03 0.00 -1.74 0.00 0.00 39.64 37.41 2wdr n ILE 208 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2wdr s TYR 209 N -2.75 1.61 -0.11 4.28 2.02 -1.16 -3.94 117.35 117.30 2wdr s TYR 209 Ca 0.13 -0.74 0.16 0.00 -0.37 0.00 0.00 57.07 56.26 2wdr s TYR 209 Cb 0.12 -2.12 -0.21 0.00 -0.40 0.00 0.00 41.96 39.34 2wdr s TYR 209 CO 0.29 -0.85 0.54 0.94 -1.57 0.00 0.00 175.55 174.90 2wdr n GLN 210 N -2.04 0.65 -4.10 -0.62 7.27 -1.25 -4.50 117.38 112.79 2wdr n GLN 210 Ca 0.09 0.16 -0.21 0.00 0.07 0.00 0.00 57.00 57.11 2wdr n GLN 210 Cb 0.62 -1.71 -0.17 0.00 2.41 0.00 0.00 30.24 31.40 2wdr n GLN 210 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2wdr s SER 211 N -5.73 1.21 0.03 1.69 0.15 -1.26 -4.77 113.70 105.02 2wdr s SER 211 Ca -0.06 -0.14 -0.18 0.00 0.70 0.00 0.00 55.95 56.27 2wdr s SER 211 Cb 0.08 -0.50 0.03 0.00 -1.71 0.00 0.00 66.02 63.92 2wdr s SER 211 CO 0.83 -0.08 0.40 0.28 1.20 0.00 0.00 173.24 175.87 2wdr s THR 212 N 1.15 0.06 -0.84 6.45 -1.32 -1.26 -3.17 115.64 116.69 2wdr s THR 212 Ca -0.07 -0.46 0.26 0.00 -1.21 0.00 0.00 61.69 60.21 2wdr s THR 212 Cb -0.14 -0.90 0.25 0.00 -1.51 0.00 0.00 72.50 70.21 2wdr s THR 212 CO -0.01 -0.25 1.81 0.35 -2.21 0.00 0.00 174.62 174.30 2wdr n THR 213 N 0.67 0.41 -2.27 5.08 -2.24 -0.01 -4.03 114.28 111.89 2wdr n THR 213 Ca -0.19 -0.08 -0.37 0.00 -2.27 0.00 0.00 64.05 61.14 2wdr n THR 213 Cb 0.59 -0.64 -0.01 0.00 -2.10 0.00 0.00 70.33 68.17 2wdr n THR 213 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2wdr s ASN 214 N -3.76 6.15 0.92 3.42 0.02 -1.26 -4.04 114.94 116.39 2wdr s ASN 214 Ca 0.11 2.28 -0.10 0.00 -1.02 0.00 0.00 52.86 54.13 2wdr s ASN 214 Cb 0.15 -2.60 0.15 0.00 0.02 0.00 0.00 41.25 38.96 2wdr s ASN 214 CO 0.52 -0.93 1.13 0.00 0.02 0.00 0.00 177.10 177.84 2wdr s ALA 215 N -1.57 1.42 0.58 0.60 0.00 -1.27 -4.11 121.76 117.41 2wdr s ALA 215 Ca 0.64 0.48 0.28 0.00 0.00 0.00 0.00 51.96 53.36 2wdr s ALA 215 Cb -0.28 -3.41 1.59 0.00 0.00 0.00 0.00 23.12 21.02 2wdr s ALA 215 CO 0.34 -2.72 2.07 0.45 0.00 0.00 0.00 175.76 175.90 2wdr h HIS 216 N -1.84 0.00 -0.01 0.00 3.86 -1.56 -2.21 115.15 113.40 2wdr h HIS 216 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2wdr h HIS 216 Cb 1.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 2wdr h HIS 216 CO 0.49 0.00 -0.01 0.44 0.86 0.00 0.00 177.93 179.71 2wdr n ILE 217 N -3.90 0.00 -2.74 2.45 -5.35 -1.27 -3.92 119.36 104.63 2wdr n ILE 217 Ca 0.03 -0.16 -0.43 0.00 -0.27 0.00 0.00 62.75 61.92 2wdr n ILE 217 Cb 0.38 0.15 -0.00 0.00 -1.74 0.00 0.00 39.64 38.43 2wdr n ILE 217 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2wdr s ASN 218 N -2.04 6.93 -0.26 7.28 -0.87 -0.92 -4.26 114.94 120.79 2wdr s ASN 218 Ca 0.40 -2.65 0.09 0.00 -1.57 0.00 0.00 52.86 49.13 2wdr s ASN 218 Cb 0.21 -2.50 0.46 0.00 -0.02 0.00 0.00 41.25 39.40 2wdr s ASN 218 CO 0.36 -0.99 1.33 0.35 -2.57 0.00 0.00 177.10 175.58 2wdr n THR 219 N 5.63 2.41 -4.10 1.60 -2.24 -1.23 -2.40 114.28 113.94 2wdr n THR 219 Ca 0.43 -3.16 -0.34 0.00 -2.27 0.00 0.00 64.05 58.71 2wdr n THR 219 Cb 0.45 -0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 2wdr n THR 219 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdr n GLY 220 N -1.08 -0.44 0.34 3.38 0.00 -1.10 -2.93 105.19 103.36 2wdr n GLY 220 Ca 0.28 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.53 2wdr n GLY 220 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wdr h ASP 221 N -1.05 0.16 -0.29 1.61 3.32 -1.87 -1.33 116.42 116.96 2wdr h ASP 221 Ca -0.52 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.36 2wdr h ASP 221 Cb 1.34 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 2wdr h ASP 221 CO 0.73 0.10 -0.46 1.23 -1.72 0.00 0.00 179.24 179.11 2wdr h GLY 222 N 0.17 0.94 0.88 2.75 0.00 -1.88 -1.66 103.07 104.28 2wdr h GLY 222 Ca 0.20 -1.03 -0.03 0.00 0.00 0.00 0.00 47.33 46.47 2wdr h GLY 222 CO -0.03 0.92 0.06 -2.08 0.00 0.00 0.00 176.54 175.41 2wdr h VAL 223 N 0.69 1.22 0.16 4.60 2.07 -1.64 -1.62 116.25 121.72 2wdr h VAL 223 Ca 0.04 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 2wdr h VAL 223 Cb 1.06 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 2wdr h VAL 223 CO 0.11 0.23 -0.13 1.23 0.02 0.00 0.00 177.57 179.03 2wdr h GLY 224 N 0.25 -0.29 1.31 2.17 0.00 -1.38 -0.74 103.07 104.39 2wdr h GLY 224 Ca 0.08 0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.57 2wdr h GLY 224 CO 0.00 -0.13 0.45 -0.33 0.00 0.00 0.00 176.54 176.53 2wdr h MET 225 N -0.30 0.86 0.10 4.80 2.86 -1.24 -0.40 114.93 121.60 2wdr h MET 225 Ca -0.01 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2wdr h MET 225 Cb 0.27 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2wdr h MET 225 CO -0.01 0.57 -0.05 0.00 1.06 0.00 0.00 176.91 178.48 2wdr h ALA 226 N 1.59 -0.13 -0.36 6.32 0.00 -1.13 -2.59 119.26 122.95 2wdr h ALA 226 Ca 0.25 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2wdr h ALA 226 Cb -0.06 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 2wdr h ALA 226 CO -0.06 -0.34 -0.09 0.82 0.00 0.00 0.00 179.25 179.57 2wdr h ILE 227 N -0.59 0.63 0.00 0.00 2.04 -0.74 0.15 117.51 119.01 2wdr h ILE 227 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2wdr h ILE 227 Cb 0.48 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2wdr h ILE 227 CO 0.02 0.00 0.00 0.03 0.00 0.00 0.00 178.15 178.20 2wdr h ARG 228 N -0.01 0.00 -0.01 2.37 3.08 -1.13 0.12 114.38 118.80 2wdr h ARG 228 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2wdr h ARG 228 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2wdr h ARG 228 CO -0.37 0.00 -0.27 0.00 -1.07 0.00 0.00 179.97 178.26 2wdr n ALA 229 N -1.92 3.11 -0.44 0.04 0.00 0.38 -4.80 120.51 116.89 2wdr n ALA 229 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2wdr n ALA 229 Cb 0.15 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2wdr n ALA 229 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdr n GLY 230 N 1.34 0.77 3.67 0.00 0.00 0.02 -4.95 105.19 106.04 2wdr n GLY 230 Ca 0.12 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2wdr n GLY 230 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdr s VAL 231 N -2.00 5.15 0.65 1.61 1.01 -0.34 -4.63 120.40 121.86 2wdr s VAL 231 Ca 0.00 0.85 -0.18 0.00 0.00 0.00 0.00 61.98 62.66 2wdr s VAL 231 Cb 0.00 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 2wdr s VAL 231 CO 0.00 0.23 1.25 -2.16 0.00 0.00 0.00 175.10 174.42 2wdr s PRO 232 N 1.37 2.56 0.28 2.72 0.04 -1.26 -3.57 135.00 137.14 2wdr s PRO 232 Ca 0.22 1.93 0.10 0.00 0.04 0.00 0.00 61.00 63.29 2wdr s PRO 232 Cb -0.15 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2wdr s PRO 232 CO 0.09 -1.55 -0.04 0.14 0.04 0.00 0.00 177.00 175.67 2wdr s VAL 233 N -1.59 3.17 0.02 -0.36 -7.23 -1.19 -4.31 120.40 108.91 2wdr s VAL 233 Ca 0.79 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 2wdr s VAL 233 Cb -0.34 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 33.87 2wdr s VAL 233 CO 0.39 -0.37 -0.08 -1.58 -0.31 0.00 0.00 175.10 173.16 2wdr s GLN 234 N -3.64 0.57 -1.36 4.82 0.74 0.06 -0.64 119.66 120.21 2wdr s GLN 234 Ca 0.31 -0.49 -0.07 0.00 0.05 0.00 0.00 55.36 55.17 2wdr s GLN 234 Cb -0.06 -0.48 0.04 0.00 1.10 0.00 0.00 33.01 33.62 2wdr s GLN 234 CO 0.19 0.12 0.49 -0.25 -0.55 0.00 0.00 175.29 175.28 2wdr n ASP 235 N 2.26 -4.52 0.00 6.67 8.00 0.09 -1.82 116.55 127.23 2wdr n ASP 235 Ca -0.17 -0.31 0.04 0.00 0.71 0.00 0.00 54.79 55.06 2wdr n ASP 235 Cb 0.56 -3.71 0.19 0.00 -0.02 0.00 0.00 41.12 38.15 2wdr n ASP 235 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2wdr n MET 236 N -3.75 0.06 0.03 -1.24 2.81 -1.26 -1.82 117.12 111.94 2wdr n MET 236 Ca -0.06 0.29 0.12 0.00 -1.81 0.00 0.00 57.70 56.24 2wdr n MET 236 Cb 0.57 -1.50 0.10 0.00 -0.71 0.00 0.00 33.22 31.69 2wdr n MET 236 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2wdr n GLU 237 N -1.40 0.23 -2.59 0.03 0.00 -1.26 -4.36 120.64 111.28 2wdr n GLU 237 Ca 0.03 0.02 -0.41 0.00 0.00 0.00 0.00 57.16 56.80 2wdr n GLU 237 Cb 0.08 -1.60 -0.03 0.00 0.00 0.00 0.00 31.44 29.89 2wdr n GLU 237 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 2wdr s MET 238 N -3.15 3.56 -0.20 3.44 -1.94 -0.83 -4.47 119.30 115.72 2wdr s MET 238 Ca 0.06 -1.10 -0.05 0.00 -1.71 0.00 0.00 55.69 52.89 2wdr s MET 238 Cb 0.15 -5.23 -0.02 0.00 2.01 0.00 0.00 34.83 31.73 2wdr s MET 238 CO 0.76 -2.17 -0.00 -1.58 -0.01 0.00 0.00 175.02 172.02 2wdr s TRP 239 N 4.86 3.04 -0.23 -0.03 0.52 -1.26 -2.11 118.94 123.72 2wdr s TRP 239 Ca 0.44 -0.46 -0.22 0.00 0.02 0.00 0.00 56.10 55.88 2wdr s TRP 239 Cb -0.01 -2.08 -0.01 0.00 -1.15 0.00 0.00 33.47 30.22 2wdr s TRP 239 CO -0.08 -0.23 0.72 -1.14 0.02 0.00 0.00 176.95 176.23 2wdr s GLN 240 N 0.97 4.17 -0.41 4.98 0.74 -0.73 -4.63 119.66 124.75 2wdr s GLN 240 Ca 0.01 0.73 -0.16 0.00 0.05 0.00 0.00 55.36 56.00 2wdr s GLN 240 Cb -0.14 -3.63 0.02 0.00 1.10 0.00 0.00 33.01 30.35 2wdr s GLN 240 CO 0.02 -0.42 0.37 -0.06 -0.55 0.00 0.00 175.29 174.65 2wdr s PHE 241 N 2.51 3.20 0.20 1.67 0.08 -1.26 -1.67 117.98 122.70 2wdr s PHE 241 Ca 0.31 -0.46 -0.32 0.00 0.12 0.00 0.00 56.93 56.57 2wdr s PHE 241 Cb -0.16 -2.74 -0.12 0.00 -0.57 0.00 0.00 43.02 39.44 2wdr s PHE 241 CO 0.09 -0.64 1.75 -1.58 -0.10 0.00 0.00 175.22 174.73 2wdr s HIS 242 N 1.92 2.78 0.24 0.36 5.65 -0.20 -4.40 115.29 121.64 2wdr s HIS 242 Ca 0.09 0.27 -0.05 0.00 0.25 0.00 0.00 55.06 55.62 2wdr s HIS 242 Cb -0.18 -4.16 0.40 0.00 -1.18 0.00 0.00 32.58 27.46 2wdr s HIS 242 CO 0.12 -4.45 1.77 -1.00 -0.65 0.00 0.00 174.74 170.52 2wdr h PRO 243 N 7.08 0.57 -2.88 2.88 0.13 -1.88 -0.39 132.00 137.50 2wdr h PRO 243 Ca -0.44 -0.03 -0.68 0.00 -0.87 0.00 0.00 66.00 63.98 2wdr h PRO 243 Cb 1.20 -0.13 -0.37 0.00 0.13 0.00 0.00 31.00 31.83 2wdr h PRO 243 CO 0.96 0.38 -0.17 0.25 -0.23 0.00 0.00 178.00 179.18 2wdr n THR 244 N -4.89 3.00 -3.36 1.56 -2.24 -1.26 -1.78 114.28 105.31 2wdr n THR 244 Ca 0.13 -5.25 -0.30 0.00 -2.27 0.00 0.00 64.05 56.36 2wdr n THR 244 Cb 0.33 -2.22 -0.04 0.00 -2.10 0.00 0.00 70.33 66.30 2wdr n THR 244 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wdr s GLY 245 N -1.31 2.03 0.01 3.38 0.00 -0.86 -2.16 107.32 108.40 2wdr s GLY 245 Ca 0.32 -0.44 -0.30 0.00 0.00 0.00 0.00 44.72 44.29 2wdr s GLY 245 CO -0.06 -0.32 1.43 -0.42 0.00 0.00 0.00 173.10 173.72 2wdr s ILE 246 N -1.98 3.64 0.22 0.90 1.01 -0.15 -0.14 121.20 124.70 2wdr s ILE 246 Ca 0.45 1.03 -0.32 0.00 0.00 0.00 0.00 60.65 61.82 2wdr s ILE 246 Cb -0.11 -3.66 -0.12 0.00 0.01 0.00 0.00 42.46 38.57 2wdr s ILE 246 CO 0.27 -0.00 1.64 0.00 0.00 0.00 0.00 174.94 176.85 2wdr n ALA 247 N 5.39 2.35 -1.67 9.38 0.00 0.47 -0.71 120.51 135.72 2wdr n ALA 247 Ca 0.13 0.41 -0.16 0.00 0.00 0.00 0.00 53.44 53.82 2wdr n ALA 247 Cb 0.43 -2.46 -0.06 0.00 0.00 0.00 0.00 19.45 17.37 2wdr n ALA 247 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdr n GLY 248 N 3.34 1.18 0.82 0.00 0.00 -1.12 -4.43 105.19 104.99 2wdr n GLY 248 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2wdr n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdr n ALA 249 N 0.58 2.39 0.00 4.61 0.00 -0.67 -4.59 120.51 122.84 2wdr n ALA 249 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2wdr n ALA 249 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2wdr n ALA 249 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdr n GLY 250 N 1.48 2.83 3.68 0.00 0.00 -0.20 -4.38 105.19 108.60 2wdr n GLY 250 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wdr n GLY 250 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdr s VAL 251 N -2.23 3.39 0.29 1.61 1.01 -1.26 -2.85 120.40 120.35 2wdr s VAL 251 Ca 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 61.98 62.43 2wdr s VAL 251 Cb 0.00 -3.48 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 2wdr s VAL 251 CO 0.00 -0.02 1.24 -0.22 0.00 0.00 0.00 175.10 176.10 2wdr s LEU 252 N 2.88 4.46 -0.12 3.92 2.96 -1.26 -0.57 118.68 130.94 2wdr s LEU 252 Ca 0.70 2.50 -0.01 0.00 -0.22 0.00 0.00 54.13 57.11 2wdr s LEU 252 Cb -0.35 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 42.68 2wdr s LEU 252 CO 0.30 -0.41 -0.09 0.68 -1.32 0.00 0.00 176.35 175.51 2wdr s VAL 253 N -0.92 3.43 0.61 1.68 -7.23 -1.02 -4.43 120.40 112.52 2wdr s VAL 253 Ca 0.49 -0.54 -0.19 0.00 -1.81 0.00 0.00 61.98 59.93 2wdr s VAL 253 Cb -0.37 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 2wdr s VAL 253 CO 0.46 0.53 1.10 1.07 -0.31 0.00 0.00 175.10 177.95 2wdr n THR 254 N 3.25 4.05 0.35 5.32 5.66 -1.26 -4.48 114.28 127.17 2wdr n THR 254 Ca -0.18 -0.50 0.09 0.00 -3.05 0.00 0.00 64.05 60.41 2wdr n THR 254 Cb 0.53 -1.30 0.39 0.00 -1.55 0.00 0.00 70.33 68.39 2wdr n THR 254 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2wdr n GLU 255 N -1.24 0.10 0.30 1.09 2.13 -1.26 -1.64 120.64 120.12 2wdr n GLU 255 Ca 0.14 0.41 0.17 0.00 0.66 0.00 0.00 57.16 58.54 2wdr n GLU 255 Cb 0.47 -1.72 0.94 0.00 0.27 0.00 0.00 31.44 31.40 2wdr n GLU 255 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2wdr h GLY 256 N 1.74 0.00 1.18 8.31 0.00 -1.90 -1.42 103.07 110.98 2wdr h GLY 256 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2wdr h GLY 256 CO 0.00 0.00 0.31 0.00 0.00 0.00 0.00 176.54 176.85 2wdr h ARG 258 N 1.04 0.00 0.00 0.00 3.08 -1.50 -0.82 114.38 116.17 2wdr h ARG 258 Ca 0.25 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 2wdr h ARG 258 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2wdr h ARG 258 CO -0.03 0.47 -0.02 0.78 -1.07 0.00 0.00 179.97 180.10 2wdr h GLY 259 N 3.53 0.00 0.10 0.04 0.00 -0.99 -2.75 103.07 103.00 2wdr h GLY 259 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2wdr h GLY 259 CO 0.07 0.00 -0.47 1.18 0.00 0.00 0.00 176.54 177.31 2wdr n GLU 260 N -3.12 0.60 0.00 4.80 -0.58 -0.22 -3.88 120.64 118.24 2wdr n GLU 260 Ca 0.01 -0.42 0.00 0.00 -0.42 0.00 0.00 57.16 56.33 2wdr n GLU 260 Cb 0.32 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2wdr n GLU 260 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdr n GLY 261 N 1.42 0.69 3.83 0.62 0.00 -1.05 -4.86 105.19 105.84 2wdr n GLY 261 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2wdr n GLY 261 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdr s GLY 262 N -0.98 2.35 0.16 -0.02 0.00 -0.33 -4.85 107.32 103.64 2wdr s GLY 262 Ca 0.00 0.22 0.03 0.00 0.00 0.00 0.00 44.72 44.97 2wdr s GLY 262 CO 0.00 0.47 -0.05 -2.52 0.00 0.00 0.00 173.10 171.00 2wdr s TYR 263 N -2.11 1.23 -0.05 1.90 -0.85 -1.18 -4.21 117.35 112.08 2wdr s TYR 263 Ca 0.58 -0.89 -0.17 0.00 -0.52 0.00 0.00 57.07 56.08 2wdr s TYR 263 Cb -0.10 -0.67 -0.05 0.00 0.38 0.00 0.00 41.96 41.52 2wdr s TYR 263 CO 0.16 -0.06 0.46 -0.51 -1.52 0.00 0.00 175.55 174.08 2wdr s LEU 264 N -3.17 4.38 0.12 -3.49 1.43 -1.26 -1.56 118.68 115.13 2wdr s LEU 264 Ca 0.20 0.92 0.11 0.00 -1.03 0.00 0.00 54.13 54.33 2wdr s LEU 264 Cb 0.05 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 2wdr s LEU 264 CO 0.02 0.16 -0.26 -0.76 0.23 0.00 0.00 176.35 175.73 2wdr s LEU 265 N -0.24 2.33 0.00 1.79 1.43 0.11 -3.48 118.68 120.62 2wdr s LEU 265 Ca 0.25 -0.71 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 2wdr s LEU 265 Cb -0.16 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 44.83 2wdr s LEU 265 CO 0.12 0.19 0.20 -0.46 0.23 0.00 0.00 176.35 176.63 2wdr n ASN 266 N 1.01 0.49 0.32 2.29 0.23 -1.01 -1.10 115.26 117.49 2wdr n ASN 266 Ca -0.18 -1.36 0.22 0.00 -0.53 0.00 0.00 54.58 52.73 2wdr n ASN 266 Cb 0.53 -0.11 1.11 0.00 -2.08 0.00 0.00 39.78 39.22 2wdr n ASN 266 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 2wdr h LYS 267 N 0.00 0.00 -0.01 -3.83 2.10 -1.14 0.98 116.57 114.66 2wdr h LYS 267 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2wdr h LYS 267 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2wdr h LYS 267 CO 0.09 0.00 -0.40 0.72 -2.00 0.00 0.00 179.45 177.86 2wdr n HIS 268 N -3.06 0.00 -0.74 0.07 8.25 -1.26 -4.82 115.22 113.65 2wdr n HIS 268 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2wdr n HIS 268 Cb 0.12 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.16 2wdr n HIS 268 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdr n GLY 269 N 1.39 0.57 3.72 -1.41 0.00 0.32 -4.94 105.19 104.85 2wdr n GLY 269 Ca 0.10 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 2wdr n GLY 269 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wdr s GLU 270 N -1.01 4.53 -1.09 1.61 2.12 -1.26 -4.71 118.70 118.89 2wdr s GLU 270 Ca 0.00 1.26 -0.21 0.00 0.36 0.00 0.00 54.97 56.38 2wdr s GLU 270 Cb 0.00 -3.44 -0.07 0.00 0.26 0.00 0.00 34.13 30.87 2wdr s GLU 270 CO 0.00 0.02 1.94 -2.13 -0.54 0.00 0.00 175.26 174.55 2wdr n ARG 271 N 3.71 1.98 0.00 4.30 0.63 -1.26 -2.29 116.66 123.72 2wdr n ARG 271 Ca 0.03 -2.38 0.03 0.00 -0.92 0.00 0.00 57.85 54.61 2wdr n ARG 271 Cb 0.51 -3.34 0.17 0.00 0.45 0.00 0.00 32.46 30.25 2wdr n ARG 271 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 2wdr n PHE 272 N 9.83 0.00 0.18 -0.14 1.16 -1.24 -2.28 117.46 124.97 2wdr n PHE 272 Ca 0.48 0.00 0.07 0.00 -1.87 0.00 0.00 57.45 56.13 2wdr n PHE 272 Cb 0.43 -0.32 0.14 0.00 -1.61 0.00 0.00 39.48 38.12 2wdr n PHE 272 CO 0.00 0.00 0.00 0.52 -1.87 0.00 0.00 176.76 175.41 2wdr h MET 273 N 0.00 0.00 0.00 3.97 2.86 -1.87 -2.92 114.93 116.97 2wdr h MET 273 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2wdr h MET 273 Cb 0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 2wdr h MET 273 CO 0.00 0.28 -0.12 0.93 1.06 0.00 0.00 176.91 179.06 2wdr h GLU 274 N 0.00 0.00 0.00 1.72 5.08 -1.68 0.53 114.58 120.23 2wdr h GLU 274 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wdr h GLU 274 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2wdr h GLU 274 CO 0.04 0.12 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.08 2wdr h ARG 275 N 0.00 -0.01 -0.01 2.33 2.43 -1.73 -3.16 114.38 114.24 2wdr h ARG 275 Ca -0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 2wdr h ARG 275 Cb 0.34 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2wdr h ARG 275 CO 0.02 0.78 -0.47 1.88 -1.51 0.00 0.00 179.97 180.66 2wdr h TYR 276 N -0.99 0.03 -2.13 2.20 0.05 -1.41 -3.36 116.97 111.36 2wdr h TYR 276 Ca -0.00 -0.01 -0.46 0.00 0.05 0.00 0.00 58.73 58.31 2wdr h TYR 276 Cb 0.78 -0.01 -0.33 0.00 1.01 0.00 0.00 36.73 38.18 2wdr h TYR 276 CO 0.22 0.49 -0.79 0.00 -1.05 0.00 0.00 178.16 177.03 2wdr s ALA 277 N -3.96 0.24 0.21 3.88 0.00 0.16 -4.72 121.76 117.57 2wdr s ALA 277 Ca -0.02 -1.55 -0.11 0.00 0.00 0.00 0.00 51.96 50.28 2wdr s ALA 277 Cb 0.14 -1.88 0.28 0.00 0.00 0.00 0.00 23.12 21.66 2wdr s ALA 277 CO 0.75 -2.10 1.68 -1.35 0.00 0.00 0.00 175.76 174.73 2wdr h PRO 278 N 6.47 0.15 0.04 0.00 0.11 -1.69 0.82 132.00 137.91 2wdr h PRO 278 Ca 0.11 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 2wdr h PRO 278 Cb 1.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2wdr h PRO 278 CO 0.24 0.10 -0.02 -0.91 -0.21 0.00 0.00 178.00 177.20 2wdr h ASN 279 N 0.16 -0.05 1.18 -2.05 2.35 -1.85 -3.36 115.58 111.96 2wdr h ASN 279 Ca 0.31 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.04 2wdr h ASN 279 Cb 0.49 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 2wdr h ASN 279 CO -0.48 0.22 -0.13 0.00 -1.65 0.00 0.00 177.43 175.39 2wdr h ALA 280 N -1.46 0.98 -0.76 -0.83 0.00 -1.28 -3.45 119.26 112.45 2wdr h ALA 280 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wdr h ALA 280 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2wdr h ALA 280 CO 0.01 0.16 0.00 1.63 0.00 0.00 0.00 179.25 181.05 2wdr n LYS 281 N -3.22 0.00 0.00 0.00 5.02 0.27 -0.90 118.16 119.33 2wdr n LYS 281 Ca 0.01 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.44 2wdr n LYS 281 Cb 0.43 0.00 0.84 0.00 -0.02 0.00 0.00 35.03 36.28 2wdr n LYS 281 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2wdr n ASP 282 N 6.40 0.00 -1.09 4.39 8.00 -1.26 -2.63 116.55 130.35 2wdr n ASP 282 Ca 0.00 -1.00 -0.00 0.00 0.71 0.00 0.00 54.79 54.49 2wdr n ASP 282 Cb 0.00 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.32 2wdr n ASP 282 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wdr n LEU 283 N -0.97 4.13 -4.65 0.64 4.77 -0.17 -4.80 117.00 115.94 2wdr n LEU 283 Ca 0.21 -3.47 -0.30 0.00 -0.03 0.00 0.00 56.01 52.43 2wdr n LEU 283 Cb 0.10 -0.61 0.22 0.00 -2.33 0.00 0.00 43.42 40.80 2wdr n LEU 283 CO 0.16 1.02 0.66 0.00 -1.33 0.00 0.00 177.39 177.89 2wdr s ALA 284 N -3.09 0.86 0.77 -1.18 0.00 -1.11 -1.13 121.76 116.89 2wdr s ALA 284 Ca 0.44 -0.91 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 2wdr s ALA 284 Cb 0.38 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 2wdr s ALA 284 CO 0.04 -3.34 0.44 0.41 0.00 0.00 0.00 175.76 173.31 2wdr n GLY 285 N -1.33 -1.77 0.20 0.00 0.00 -1.26 -4.09 105.19 96.94 2wdr n GLY 285 Ca 0.12 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 2wdr n GLY 285 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wdr h ARG 286 N -0.59 0.68 -0.86 1.61 3.08 -1.94 -2.28 114.38 114.09 2wdr h ARG 286 Ca -0.45 -0.45 0.06 0.00 0.07 0.00 0.00 59.98 59.21 2wdr h ARG 286 Cb 1.34 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.40 2wdr h ARG 286 CO 0.40 1.07 0.56 0.38 -1.07 0.00 0.00 179.97 181.32 2wdr h ASP 287 N 0.38 0.86 0.15 7.04 2.03 -1.91 -0.33 116.42 124.65 2wdr h ASP 287 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.30 2wdr h ASP 287 Cb 1.07 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.39 2wdr h ASP 287 CO 0.10 0.56 -0.07 0.58 -1.03 0.00 0.00 179.24 179.38 2wdr h VAL 288 N 0.99 0.99 -0.76 4.15 2.07 -1.88 -2.29 116.25 119.51 2wdr h VAL 288 Ca 0.37 -0.97 0.08 0.00 0.82 0.00 0.00 66.70 66.99 2wdr h VAL 288 Cb 0.18 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 2wdr h VAL 288 CO -0.13 0.21 0.50 0.58 0.02 0.00 0.00 177.57 178.75 2wdr h VAL 289 N -0.70 0.99 0.07 2.57 2.07 -1.29 -0.25 116.25 119.69 2wdr h VAL 289 Ca -0.02 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2wdr h VAL 289 Cb 0.51 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2wdr h VAL 289 CO 0.03 0.14 -0.03 0.00 0.02 0.00 0.00 177.57 177.73 2wdr h ALA 290 N 1.60 -0.09 -0.61 1.67 0.00 -1.06 -2.43 119.26 118.34 2wdr h ALA 290 Ca 0.34 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2wdr h ALA 290 Cb 0.35 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2wdr h ALA 290 CO -0.12 -0.48 0.19 0.00 0.00 0.00 0.00 179.25 178.84 2wdr h ARG 291 N -0.24 0.95 -0.09 0.00 3.08 -0.95 -2.50 114.38 114.63 2wdr h ARG 291 Ca -0.01 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 59.88 2wdr h ARG 291 Cb 0.20 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 2wdr h ARG 291 CO 0.02 0.84 -0.21 0.77 -1.07 0.00 0.00 179.97 180.32 2wdr h SER 292 N 0.87 -0.63 -0.86 7.04 0.02 -1.00 0.29 113.55 119.28 2wdr h SER 292 Ca 0.20 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.28 2wdr h SER 292 Cb 0.29 0.28 -0.05 0.00 0.14 0.00 0.00 62.40 63.06 2wdr h SER 292 CO -0.01 -0.26 0.56 0.40 -1.14 0.00 0.00 176.83 176.38 2wdr h ILE 293 N -0.29 1.15 -0.07 3.27 2.04 -1.43 -0.64 117.51 121.55 2wdr h ILE 293 Ca 0.09 -0.37 -0.12 0.00 1.00 0.00 0.00 64.86 65.46 2wdr h ILE 293 Cb 0.41 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2wdr h ILE 293 CO -0.25 0.20 -0.49 0.24 0.00 0.00 0.00 178.15 177.84 2wdr h MET 294 N 1.07 0.17 -0.11 2.37 2.86 -0.85 -2.43 114.93 118.01 2wdr h MET 294 Ca 0.34 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.81 2wdr h MET 294 Cb 0.02 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2wdr h MET 294 CO -0.10 0.63 -0.21 0.82 1.06 0.00 0.00 176.91 179.11 2wdr h ILE 295 N 0.14 1.38 -0.99 -1.22 2.04 0.08 -1.47 117.51 117.48 2wdr h ILE 295 Ca 0.01 -1.49 0.19 0.00 1.00 0.00 0.00 64.86 64.57 2wdr h ILE 295 Cb 0.92 2.08 -0.10 0.00 -0.74 0.00 0.00 36.82 38.99 2wdr h ILE 295 CO 0.07 0.43 0.61 -0.33 0.00 0.00 0.00 178.15 178.94 2wdr h GLU 296 N -0.09 0.69 -0.09 2.37 4.39 -1.09 -1.46 114.58 119.30 2wdr h GLU 296 Ca 0.00 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 2wdr h GLU 296 Cb 0.80 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2wdr h GLU 296 CO 0.05 0.46 -0.41 0.82 -1.16 0.00 0.00 179.01 178.76 2wdr h ILE 297 N 0.71 1.40 0.00 3.13 2.04 -1.43 -0.02 117.51 123.34 2wdr h ILE 297 Ca 0.56 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.64 2wdr h ILE 297 Cb 0.94 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 2wdr h ILE 297 CO -0.34 0.52 0.00 0.54 0.00 0.00 0.00 178.15 178.87 2wdr n ARG 298 N -4.33 0.49 -0.70 2.37 1.74 -0.57 -1.58 116.66 114.08 2wdr n ARG 298 Ca -0.08 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.06 2wdr n ARG 298 Cb 0.55 -1.47 0.13 0.00 -1.02 0.00 0.00 32.46 30.65 2wdr n ARG 298 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2wdr n GLU 299 N -0.97 0.96 -1.12 5.56 1.02 -0.83 -4.88 120.64 120.38 2wdr n GLU 299 Ca 0.11 -2.58 -0.04 0.00 -0.02 0.00 0.00 57.16 54.63 2wdr n GLU 299 Cb 0.05 -1.07 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 2wdr n GLU 299 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wdr n GLY 300 N -0.66 0.62 0.92 0.62 0.00 -0.69 -4.75 105.19 101.25 2wdr n GLY 300 Ca 0.13 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.05 2wdr n GLY 300 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdr n ARG 301 N -1.65 2.21 -1.90 1.61 1.74 -0.08 -4.82 116.66 113.76 2wdr n ARG 301 Ca -0.04 -1.82 -0.31 0.00 -0.77 0.00 0.00 57.85 54.91 2wdr n ARG 301 Cb 0.29 -1.47 0.02 0.00 -1.02 0.00 0.00 32.46 30.28 2wdr n ARG 301 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2wdr s GLY 302 N -1.58 1.65 0.35 -0.13 0.00 -0.90 -0.55 107.32 106.15 2wdr s GLY 302 Ca 0.35 -0.15 0.04 0.00 0.00 0.00 0.00 44.72 44.96 2wdr s GLY 302 CO 0.30 0.13 0.52 0.00 0.00 0.00 0.00 173.10 174.05 2wdr s ASP 304 N -4.14 0.41 0.00 0.00 -1.08 -1.26 -1.76 116.67 108.83 2wdr s ASP 304 Ca 0.44 -1.27 0.00 0.00 -0.52 0.00 0.00 52.55 51.19 2wdr s ASP 304 Cb -0.10 0.30 0.00 0.00 -1.46 0.00 0.00 42.92 41.66 2wdr s ASP 304 CO 0.33 -0.75 0.00 0.61 0.52 0.00 0.00 175.17 175.88 2wdr n GLY 305 N -0.19 -0.50 0.05 2.66 0.00 -1.26 -4.72 105.19 101.23 2wdr n GLY 305 Ca -0.03 -1.01 0.05 0.00 0.00 0.00 0.00 46.02 45.04 2wdr n GLY 305 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdr n PRO 306 N 0.00 0.05 0.06 1.61 -0.02 -1.26 -2.18 135.00 133.27 2wdr n PRO 306 Ca 0.00 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.06 2wdr n PRO 306 Cb 0.00 -1.65 0.05 0.00 -0.02 0.00 0.00 33.50 31.88 2wdr n PRO 306 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2wdr n TRP 307 N -1.76 0.59 0.00 6.00 8.01 -1.26 -4.58 117.44 124.44 2wdr n TRP 307 Ca 0.01 0.17 0.00 0.00 -1.31 0.00 0.00 57.50 56.37 2wdr n TRP 307 Cb 0.07 -0.69 0.00 0.00 -2.01 0.00 0.00 31.31 28.68 2wdr n TRP 307 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wdr n GLY 308 N 1.29 -0.12 3.68 6.99 0.00 -1.04 -2.47 105.19 113.52 2wdr n GLY 308 Ca 0.01 -1.93 -0.45 0.00 0.00 0.00 0.00 46.02 43.66 2wdr n GLY 308 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdr n PRO 309 N -0.32 2.12 -3.67 1.61 -0.02 -1.26 -4.09 135.00 129.37 2wdr n PRO 309 Ca 0.00 0.76 -0.09 0.00 -2.02 0.00 0.00 63.50 62.15 2wdr n PRO 309 Cb 0.00 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.02 2wdr n PRO 309 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2wdr s HIS 310 N 0.06 -0.33 0.20 6.00 -3.43 -0.82 -4.65 115.29 112.32 2wdr s HIS 310 Ca 0.69 -0.01 0.06 0.00 -0.80 0.00 0.00 55.06 54.99 2wdr s HIS 310 Cb -0.64 0.64 -0.04 0.00 -1.43 0.00 0.00 32.58 31.12 2wdr s HIS 310 CO 0.48 -1.04 0.20 0.00 -2.00 0.00 0.00 174.74 172.38 2wdr s ALA 311 N -3.79 3.65 -0.17 -1.38 0.00 -0.56 -0.82 121.76 118.70 2wdr s ALA 311 Ca 0.07 -1.28 -0.16 0.00 0.00 0.00 0.00 51.96 50.59 2wdr s ALA 311 Cb -0.04 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 2wdr s ALA 311 CO -0.02 0.38 0.39 0.15 0.00 0.00 0.00 175.76 176.67 2wdr s LYS 312 N -3.49 4.25 -0.37 0.00 -0.14 -0.37 -1.33 119.74 118.29 2wdr s LYS 312 Ca 0.32 0.25 -0.10 0.00 -1.36 0.00 0.00 55.97 55.08 2wdr s LYS 312 Cb -0.09 -3.48 0.03 0.00 -1.68 0.00 0.00 37.83 32.61 2wdr s LYS 312 CO 0.25 0.09 0.19 -1.17 -0.76 0.00 0.00 175.35 173.95 2wdr s LEU 313 N 0.88 4.66 -0.19 3.17 2.96 0.00 0.20 118.68 130.37 2wdr s LEU 313 Ca 0.20 -1.02 -0.18 0.00 -0.22 0.00 0.00 54.13 52.91 2wdr s LEU 313 Cb -0.14 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 2wdr s LEU 313 CO 0.07 -0.38 0.49 -0.75 -1.32 0.00 0.00 176.35 174.47 2wdr s LYS 314 N 1.53 4.20 0.00 1.98 2.20 -0.69 -0.24 119.74 128.72 2wdr s LYS 314 Ca 0.01 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 2wdr s LYS 314 Cb -0.19 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 2wdr s LYS 314 CO 0.06 -0.10 0.00 1.28 -0.36 0.00 0.00 175.35 176.23 2wdr n LEU 315 N 4.61 0.00 -0.06 5.43 4.77 -1.26 -2.92 117.00 127.57 2wdr n LEU 315 Ca -0.06 0.00 0.25 0.00 -0.03 0.00 0.00 56.01 56.17 2wdr n LEU 315 Cb 0.51 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.30 2wdr n LEU 315 CO 0.42 0.00 1.23 -2.24 -1.33 0.00 0.00 177.39 175.46 2wdr h ASP 316 N 0.00 0.00 0.40 -1.43 3.04 -1.81 0.16 116.42 116.77 2wdr h ASP 316 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2wdr h ASP 316 Cb 0.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.50 2wdr h ASP 316 CO 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.20 2wdr n HIS 317 N -3.82 0.00 0.42 4.15 1.44 -1.26 -2.23 115.22 113.92 2wdr n HIS 317 Ca 0.14 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.98 2wdr n HIS 317 Cb 0.90 -0.23 0.25 0.00 0.12 0.00 0.00 29.99 31.03 2wdr n HIS 317 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2wdr h LEU 318 N 0.00 0.00 0.00 2.39 3.38 -1.35 -3.46 115.31 116.27 2wdr h LEU 318 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wdr h LEU 318 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2wdr h LEU 318 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 2wdr n GLY 319 N 1.22 -0.19 0.31 0.83 0.00 -1.00 -4.16 105.19 102.19 2wdr n GLY 319 Ca 0.04 -1.44 0.10 0.00 0.00 0.00 0.00 46.02 44.71 2wdr n GLY 319 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wdr h LYS 320 N 0.00 0.46 0.04 1.61 3.64 -1.91 -2.14 116.57 118.28 2wdr h LYS 320 Ca 0.00 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2wdr h LYS 320 Cb 0.00 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2wdr h LYS 320 CO 0.00 0.31 -0.13 1.49 -2.27 0.00 0.00 179.45 178.85 2wdr h GLU 321 N 0.48 -0.23 -0.45 1.90 4.81 -2.00 -0.91 114.58 118.18 2wdr h GLU 321 Ca 0.50 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.66 2wdr h GLU 321 Cb 0.84 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 2wdr h GLU 321 CO -0.45 -0.15 -0.07 0.28 -0.73 0.00 0.00 179.01 177.88 2wdr h VAL 322 N -0.24 1.27 -0.16 0.32 2.07 -1.70 -1.87 116.25 115.95 2wdr h VAL 322 Ca 0.03 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.41 2wdr h VAL 322 Cb 0.28 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2wdr h VAL 322 CO -0.10 0.40 0.03 -0.07 0.02 0.00 0.00 177.57 177.85 2wdr h LEU 323 N 0.68 0.01 -1.40 2.57 3.38 -1.23 0.24 115.31 119.55 2wdr h LEU 323 Ca 0.12 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2wdr h LEU 323 Cb 0.60 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2wdr h LEU 323 CO 0.04 0.03 -0.22 -0.33 0.09 0.00 0.00 178.44 178.04 2wdr h GLU 324 N 0.09 0.00 0.00 1.13 5.08 -1.14 0.11 114.58 119.86 2wdr h GLU 324 Ca 0.07 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 2wdr h GLU 324 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2wdr h GLU 324 CO -0.09 0.22 -0.74 1.03 -1.00 0.00 0.00 179.01 178.43 2wdr h SER 325 N 0.00 0.00 0.78 1.42 0.87 -0.98 -3.27 113.55 112.37 2wdr h SER 325 Ca -0.00 -0.51 -0.10 0.00 -1.23 0.00 0.00 61.79 59.95 2wdr h SER 325 Cb 0.61 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 2wdr h SER 325 CO 0.03 1.18 -1.30 0.54 -0.53 0.00 0.00 176.83 176.75 2wdr n ARG 326 N -4.53 0.62 -2.68 2.24 5.12 0.79 -4.23 116.66 113.99 2wdr n ARG 326 Ca -0.20 0.17 -0.04 0.00 -1.93 0.00 0.00 57.85 55.84 2wdr n ARG 326 Cb 0.52 -1.80 0.04 0.00 -1.16 0.00 0.00 32.46 30.06 2wdr n ARG 326 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2wdr n LEU 327 N -2.79 2.15 0.28 0.55 4.77 0.34 -2.92 117.00 119.38 2wdr n LEU 327 Ca -0.06 -3.31 0.16 0.00 -0.03 0.00 0.00 56.01 52.76 2wdr n LEU 327 Cb 0.73 0.33 0.79 0.00 -2.33 0.00 0.00 43.42 42.94 2wdr n LEU 327 CO 0.42 1.21 1.01 1.55 -1.33 0.00 0.00 177.39 180.25 2wdr h PRO 328 N 2.51 0.00 -0.12 3.23 0.13 -1.65 -2.90 132.00 133.20 2wdr h PRO 328 Ca -0.05 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 2wdr h PRO 328 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2wdr h PRO 328 CO 0.28 0.08 -0.05 0.78 -0.23 0.00 0.00 178.00 178.86 2wdr h GLY 329 N 1.07 0.25 2.00 1.56 0.00 -1.90 -2.72 103.07 103.34 2wdr h GLY 329 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2wdr h GLY 329 CO 0.01 0.20 0.00 0.16 0.00 0.00 0.00 176.54 176.91 2wdr h ILE 330 N -0.11 0.00 0.11 2.60 -0.00 -1.87 -1.65 117.51 116.59 2wdr h ILE 330 Ca 0.03 -0.63 -0.00 0.00 -0.00 0.00 0.00 64.86 64.26 2wdr h ILE 330 Cb 0.49 1.62 -0.00 0.00 -0.00 0.00 0.00 36.82 38.92 2wdr h ILE 330 CO 0.02 0.00 -0.07 -0.07 -0.00 0.00 0.00 178.15 178.03 2wdr h LEU 331 N 0.00 -0.17 -0.77 0.16 3.38 -1.37 0.65 115.31 117.19 2wdr h LEU 331 Ca 0.00 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 2wdr h LEU 331 Cb 0.64 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2wdr h LEU 331 CO 0.00 -0.11 -0.43 -0.33 0.09 0.00 0.00 178.44 177.65 2wdr h GLU 332 N -0.18 0.40 -0.03 1.13 5.08 -1.31 -2.17 114.58 117.51 2wdr h GLU 332 Ca -0.01 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2wdr h GLU 332 Cb 0.15 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2wdr h GLU 332 CO 0.01 0.77 0.00 -0.07 -1.00 0.00 0.00 179.01 178.71 2wdr h LEU 333 N 0.33 0.06 -0.78 1.33 3.38 -1.21 -0.44 115.31 117.99 2wdr h LEU 333 Ca 0.03 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 2wdr h LEU 333 Cb 0.90 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 2wdr h LEU 333 CO 0.08 0.34 0.19 -1.28 0.09 0.00 0.00 178.44 177.85 2wdr h SER 334 N -0.22 1.05 -0.49 -0.43 0.87 -0.93 -0.20 113.55 113.19 2wdr h SER 334 Ca 0.01 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.28 2wdr h SER 334 Cb 0.30 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2wdr h SER 334 CO 0.00 0.99 0.01 0.03 -0.53 0.00 0.00 176.83 177.34 2wdr h ARG 335 N 1.06 0.86 -0.01 2.24 3.08 -1.22 -1.73 114.38 118.65 2wdr h ARG 335 Ca 0.22 -0.27 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 2wdr h ARG 335 Cb 0.34 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.33 2wdr h ARG 335 CO -0.00 0.89 -0.63 1.15 -1.07 0.00 0.00 179.97 180.31 2wdr h THR 336 N 0.72 1.41 -0.03 2.04 2.02 -0.87 -2.17 112.91 116.02 2wdr h THR 336 Ca 0.14 -2.06 0.00 0.00 0.77 0.00 0.00 66.41 65.26 2wdr h THR 336 Cb 0.50 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 2wdr h THR 336 CO 0.02 0.61 0.00 0.49 0.37 0.00 0.00 175.52 177.01 2wdr n PHE 337 N -4.19 0.02 0.00 3.16 3.72 -0.16 -3.89 117.46 116.12 2wdr n PHE 337 Ca -0.10 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 2wdr n PHE 337 Cb 0.68 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 2wdr n PHE 337 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wdr n ALA 338 N 0.99 0.49 -3.55 4.37 0.00 -0.74 -4.40 120.51 117.68 2wdr n ALA 338 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.28 2wdr n ALA 338 Cb 0.44 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.92 2wdr n ALA 338 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wdr n HIS 339 N -0.28 -2.27 -4.64 0.00 8.25 -0.86 -4.63 115.22 110.80 2wdr n HIS 339 Ca 0.00 0.77 -0.25 0.00 -0.26 0.00 0.00 57.72 57.97 2wdr n HIS 339 Cb 0.00 -4.15 -0.17 0.00 1.12 0.00 0.00 29.99 26.80 2wdr n HIS 339 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2wdr s VAL 340 N -3.21 1.21 -0.59 1.59 1.01 -1.06 -4.70 120.40 114.66 2wdr s VAL 340 Ca 0.52 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 2wdr s VAL 340 Cb -0.25 -1.09 0.10 0.00 0.00 0.00 0.00 36.38 35.14 2wdr s VAL 340 CO 0.64 0.37 0.69 -0.62 0.00 0.00 0.00 175.10 176.18 2wdr s ASP 341 N 0.62 6.18 0.46 3.32 2.15 -1.26 -2.48 116.67 125.65 2wdr s ASP 341 Ca -0.15 -1.45 0.21 0.00 0.43 0.00 0.00 52.55 51.60 2wdr s ASP 341 Cb -0.16 -2.30 1.17 0.00 -0.30 0.00 0.00 42.92 41.34 2wdr s ASP 341 CO 0.04 -1.09 1.61 -0.65 -0.17 0.00 0.00 175.17 174.91 2wdr h PRO 342 N 9.16 0.00 0.00 4.34 0.11 -1.90 0.23 132.00 143.95 2wdr h PRO 342 Ca -0.29 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.74 2wdr h PRO 342 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2wdr h PRO 342 CO 1.10 0.00 -0.34 0.28 -0.21 0.00 0.00 178.00 178.82 2wdr h VAL 343 N 0.00 0.91 0.00 3.15 2.07 -1.94 -3.16 116.25 117.29 2wdr h VAL 343 Ca 0.00 -1.35 -0.22 0.00 0.82 0.00 0.00 66.70 65.95 2wdr h VAL 343 Cb 0.52 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2wdr h VAL 343 CO 0.00 0.34 -1.62 0.29 0.02 0.00 0.00 177.57 176.59 2wdr n LYS 344 N -3.64 0.38 -4.36 1.57 4.76 0.71 -4.46 118.16 113.12 2wdr n LYS 344 Ca -0.01 0.16 -0.29 0.00 -2.87 0.00 0.00 58.31 55.30 2wdr n LYS 344 Cb 0.45 -1.14 -0.12 0.00 -1.84 0.00 0.00 35.03 32.38 2wdr n LYS 344 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2wdr s GLU 345 N -2.41 1.65 0.62 1.97 2.12 -0.79 -4.69 118.70 117.16 2wdr s GLU 345 Ca -0.24 -1.23 -0.18 0.00 0.36 0.00 0.00 54.97 53.68 2wdr s GLU 345 Cb 0.08 -2.03 -0.04 0.00 0.26 0.00 0.00 34.13 32.40 2wdr s GLU 345 CO 0.31 0.47 1.03 -2.30 -0.54 0.00 0.00 175.26 174.23 2wdr n PRO 346 N 0.89 0.93 -3.29 4.30 -0.02 -1.26 -3.64 135.00 132.90 2wdr n PRO 346 Ca -0.17 0.36 -0.38 0.00 -2.02 0.00 0.00 63.50 61.29 2wdr n PRO 346 Cb 0.53 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.70 2wdr n PRO 346 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wdr s ILE 347 N -1.49 5.16 -0.38 4.25 1.01 0.44 -4.60 121.20 125.58 2wdr s ILE 347 Ca 0.78 0.93 -0.29 0.00 0.00 0.00 0.00 60.65 62.07 2wdr s ILE 347 Cb -0.41 -3.82 -0.00 0.00 0.01 0.00 0.00 42.46 38.24 2wdr s ILE 347 CO 0.45 0.26 1.58 -2.16 0.00 0.00 0.00 174.94 175.07 2wdr s PRO 348 N 1.11 3.48 0.36 2.79 0.04 -1.26 -0.62 135.00 140.90 2wdr s PRO 348 Ca 0.24 1.15 0.08 0.00 0.04 0.00 0.00 61.00 62.51 2wdr s PRO 348 Cb -0.15 -4.10 -0.07 0.00 0.04 0.00 0.00 34.50 30.22 2wdr s PRO 348 CO 0.10 -1.69 -0.03 0.14 0.04 0.00 0.00 177.00 175.56 2wdr s VAL 349 N 6.04 1.96 -0.27 -0.36 -7.23 -0.56 -0.16 120.40 119.82 2wdr s VAL 349 Ca 0.69 -2.09 -0.25 0.00 -1.81 0.00 0.00 61.98 58.52 2wdr s VAL 349 Cb -0.17 -2.79 0.11 0.00 0.56 0.00 0.00 36.38 34.08 2wdr s VAL 349 CO 0.33 -0.11 0.95 -0.51 -0.31 0.00 0.00 175.10 175.45 2wdr s ILE 350 N -2.77 0.00 0.19 -0.62 2.07 0.46 -1.30 121.20 119.23 2wdr s ILE 350 Ca 0.34 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 59.26 2wdr s ILE 350 Cb 0.06 -1.00 -0.16 0.00 0.13 0.00 0.00 42.46 41.50 2wdr s ILE 350 CO 0.17 0.00 1.00 -2.65 -1.91 0.00 0.00 174.94 171.54 2wdr n PRO 351 N 2.28 0.90 -3.86 3.50 -0.02 -0.84 -1.79 135.00 135.17 2wdr n PRO 351 Ca -0.13 0.32 -0.12 0.00 -2.02 0.00 0.00 63.50 61.55 2wdr n PRO 351 Cb 0.56 -1.69 -0.14 0.00 -0.02 0.00 0.00 33.50 32.21 2wdr n PRO 351 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2wdr s THR 352 N -0.54 0.00 0.12 3.45 2.01 -0.18 -4.63 115.64 115.87 2wdr s THR 352 Ca 0.69 -0.01 -0.34 0.00 0.31 0.00 0.00 61.69 62.34 2wdr s THR 352 Cb -0.86 -0.04 -0.14 0.00 0.01 0.00 0.00 72.50 71.46 2wdr s THR 352 CO 0.55 -0.00 1.58 0.00 -0.69 0.00 0.00 174.62 176.06 2wdr n HIS 354 N 3.64 -0.23 -3.82 0.00 -0.00 -0.79 -0.50 115.22 113.52 2wdr n HIS 354 Ca 0.18 0.04 -0.12 0.00 -0.00 0.00 0.00 57.72 57.81 2wdr n HIS 354 Cb 0.27 0.37 -0.13 0.00 -0.00 0.00 0.00 29.99 30.50 2wdr n HIS 354 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 2wdr s TYR 355 N -2.00 -0.16 -0.60 1.57 5.04 -1.09 -4.44 117.35 115.67 2wdr s TYR 355 Ca 0.00 0.39 -0.18 0.00 -2.44 0.00 0.00 57.07 54.84 2wdr s TYR 355 Cb 0.00 0.05 0.11 0.00 0.35 0.00 0.00 41.96 42.47 2wdr s TYR 355 CO 0.00 -0.08 0.69 1.41 -1.34 0.00 0.00 175.55 176.23 2wdr s MET 356 N 0.15 3.07 0.50 4.97 -2.45 -1.26 -1.56 119.30 122.71 2wdr s MET 356 Ca -0.01 -1.43 0.18 0.00 -1.25 0.00 0.00 55.69 53.18 2wdr s MET 356 Cb -0.02 -4.30 1.23 0.00 1.25 0.00 0.00 34.83 33.00 2wdr s MET 356 CO -0.00 -1.51 2.08 0.52 1.05 0.00 0.00 175.02 177.16 2wdr h MET 357 N 9.08 0.00 0.00 4.11 2.86 -1.78 -3.39 114.93 125.81 2wdr h MET 357 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2wdr h MET 357 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 2wdr h MET 357 CO 1.08 0.09 0.00 0.41 1.06 0.00 0.00 176.91 179.56 2wdr n GLY 358 N -1.19 -1.56 0.00 8.32 0.00 -1.24 -4.58 105.19 104.95 2wdr n GLY 358 Ca -0.03 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2wdr n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdr n GLY 359 N 4.09 0.84 3.65 -0.02 0.00 -0.83 -4.14 105.19 108.78 2wdr n GLY 359 Ca 0.00 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 2wdr n GLY 359 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdr s ILE 360 N -1.77 4.19 0.18 -0.61 1.01 -0.10 -0.63 121.20 123.48 2wdr s ILE 360 Ca 0.00 1.40 -0.32 0.00 0.00 0.00 0.00 60.65 61.73 2wdr s ILE 360 Cb 0.00 -4.03 -0.12 0.00 0.01 0.00 0.00 42.46 38.32 2wdr s ILE 360 CO 0.00 -0.26 1.70 -0.81 0.00 0.00 0.00 174.94 175.57 2wdr n PRO 361 N 6.92 2.61 -4.06 2.79 -0.04 -1.25 -0.78 135.00 141.18 2wdr n PRO 361 Ca 0.14 0.94 -0.10 0.00 -0.04 0.00 0.00 63.50 64.44 2wdr n PRO 361 Cb 0.45 -2.77 -0.11 0.00 -0.04 0.00 0.00 33.50 31.03 2wdr n PRO 361 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2wdr s THR 362 N 1.34 0.40 0.90 0.52 -4.23 -0.97 0.41 115.64 114.00 2wdr s THR 362 Ca 0.77 -1.31 -0.13 0.00 -1.18 0.00 0.00 61.69 59.84 2wdr s THR 362 Cb -0.55 -0.86 0.14 0.00 1.34 0.00 0.00 72.50 72.57 2wdr s THR 362 CO 0.35 -0.61 1.20 -0.54 -0.54 0.00 0.00 174.62 174.48 2wdr s LYS 363 N -2.34 1.24 0.39 3.99 1.02 -0.91 -4.45 119.74 118.67 2wdr s LYS 363 Ca -0.05 0.02 0.10 0.00 0.02 0.00 0.00 55.97 56.06 2wdr s LYS 363 Cb -0.04 -1.87 0.87 0.00 -0.52 0.00 0.00 37.83 36.26 2wdr s LYS 363 CO -0.03 -2.08 1.94 0.28 -0.92 0.00 0.00 175.35 174.54 2wdr h VAL 364 N -1.41 0.92 -0.03 3.17 2.07 -1.92 -1.11 116.25 117.94 2wdr h VAL 364 Ca -0.47 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 66.85 2wdr h VAL 364 Cb 1.31 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2wdr h VAL 364 CO 0.56 0.11 0.04 0.71 0.02 0.00 0.00 177.57 179.01 2wdr h THR 365 N 0.61 0.38 0.00 2.57 1.35 -1.93 -3.38 112.91 112.51 2wdr h THR 365 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.20 2wdr h THR 365 Cb 0.51 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2wdr h THR 365 CO -0.12 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.76 2wdr n GLY 366 N -1.27 1.57 3.68 5.82 0.00 -0.43 -3.62 105.19 110.94 2wdr n GLY 366 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2wdr n GLY 366 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wdr s GLN 367 N -0.60 4.14 0.37 1.61 -0.21 -1.26 -0.21 119.66 123.49 2wdr s GLN 367 Ca 0.00 2.60 -0.27 0.00 0.02 0.00 0.00 55.36 57.71 2wdr s GLN 367 Cb 0.00 -3.75 -0.09 0.00 1.00 0.00 0.00 33.01 30.16 2wdr s GLN 367 CO 0.00 -0.87 1.24 0.00 -2.12 0.00 0.00 175.29 173.54 2wdr s ALA 368 N 3.22 3.32 0.04 6.09 0.00 -0.31 -2.04 121.76 132.09 2wdr s ALA 368 Ca 0.83 1.13 0.05 0.00 0.00 0.00 0.00 51.96 53.96 2wdr s ALA 368 Cb -0.45 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 2wdr s ALA 368 CO 0.38 -0.60 -0.08 -0.51 0.00 0.00 0.00 175.76 174.94 2wdr s LEU 369 N -2.13 3.11 0.30 0.00 1.43 0.15 -0.64 118.68 120.89 2wdr s LEU 369 Ca 0.53 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2wdr s LEU 369 Cb -0.36 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 2wdr s LEU 369 CO 0.46 0.25 0.11 0.28 0.23 0.00 0.00 176.35 177.68 2wdr s THR 370 N -1.07 0.61 0.10 5.49 -1.32 0.63 -4.52 115.64 115.56 2wdr s THR 370 Ca 0.19 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.75 2wdr s THR 370 Cb -0.11 -2.60 -0.04 0.00 -1.51 0.00 0.00 72.50 68.24 2wdr s THR 370 CO 0.10 0.00 -0.18 0.68 -2.21 0.00 0.00 174.62 173.01 2wdr s VAL 371 N -3.57 2.87 0.73 5.08 -7.23 -1.26 0.80 120.40 117.81 2wdr s VAL 371 Ca 0.35 -1.42 -0.04 0.00 -1.81 0.00 0.00 61.98 59.07 2wdr s VAL 371 Cb 0.07 -2.29 0.15 0.00 0.56 0.00 0.00 36.38 34.86 2wdr s VAL 371 CO 0.15 0.15 0.99 -0.46 -0.31 0.00 0.00 175.10 175.63 2wdr n ASN 372 N 0.96 0.95 0.31 4.85 0.23 -0.56 -4.82 115.26 117.18 2wdr n ASN 372 Ca -0.16 -1.89 0.19 0.00 -0.53 0.00 0.00 54.58 52.20 2wdr n ASN 372 Cb 0.53 -0.68 1.04 0.00 -2.08 0.00 0.00 39.78 38.58 2wdr n ASN 372 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2wdr h GLU 373 N 0.00 0.00 -0.01 -3.83 4.11 -2.01 0.20 114.58 113.04 2wdr h GLU 373 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 2wdr h GLU 373 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2wdr h GLU 373 CO 0.31 0.00 -0.23 1.63 0.07 0.00 0.00 179.01 180.79 2wdr n LYS 374 N -3.33 0.69 -0.25 1.06 5.02 -1.26 -4.87 118.16 115.22 2wdr n LYS 374 Ca -0.02 -0.36 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 2wdr n LYS 374 Cb 0.16 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 2wdr n LYS 374 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdr n GLY 375 N 1.34 1.05 3.81 0.72 0.00 0.70 -4.98 105.19 107.82 2wdr n GLY 375 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2wdr n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdr s GLU 376 N -0.53 3.02 0.29 1.61 2.02 -1.26 -4.65 118.70 119.19 2wdr s GLU 376 Ca 0.00 1.10 -0.29 0.00 0.02 0.00 0.00 54.97 55.80 2wdr s GLU 376 Cb 0.00 -2.00 -0.09 0.00 0.10 0.00 0.00 34.13 32.14 2wdr s GLU 376 CO 0.00 -1.04 1.04 -0.51 0.02 0.00 0.00 175.26 174.76 2wdr s ASP 377 N -3.29 7.31 0.02 -0.19 1.11 -1.26 -1.42 116.67 118.95 2wdr s ASP 377 Ca 0.61 2.12 0.03 0.00 0.18 0.00 0.00 52.55 55.49 2wdr s ASP 377 Cb -0.15 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 41.21 2wdr s ASP 377 CO 0.47 -0.10 -0.08 -0.69 1.18 0.00 0.00 175.17 175.95 2wdr s VAL 378 N -1.26 0.64 0.13 -1.27 1.01 0.22 -4.79 120.40 115.08 2wdr s VAL 378 Ca 0.46 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 2wdr s VAL 378 Cb -0.28 -0.61 -0.07 0.00 0.00 0.00 0.00 36.38 35.42 2wdr s VAL 378 CO 0.36 -0.09 0.90 -0.69 0.00 0.00 0.00 175.10 175.57 2wdr s VAL 379 N -0.78 4.44 -0.45 2.92 1.01 -1.26 -0.19 120.40 126.09 2wdr s VAL 379 Ca -0.03 1.96 -0.29 0.00 0.00 0.00 0.00 61.98 63.62 2wdr s VAL 379 Cb -0.06 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 32.07 2wdr s VAL 379 CO 0.00 0.39 1.17 -0.69 0.00 0.00 0.00 175.10 175.97 2wdr s VAL 380 N -0.38 4.20 0.14 2.92 1.01 0.09 -4.78 120.40 123.59 2wdr s VAL 380 Ca 0.43 1.25 -0.31 0.00 0.00 0.00 0.00 61.98 63.35 2wdr s VAL 380 Cb -0.23 -4.52 -0.10 0.00 0.00 0.00 0.00 36.38 31.52 2wdr s VAL 380 CO 0.29 -0.91 1.75 -2.84 0.00 0.00 0.00 175.10 173.39 2wdr s PRO 381 N 4.41 4.15 0.00 2.72 0.02 -1.26 -2.23 135.00 142.82 2wdr s PRO 381 Ca 0.49 2.53 0.00 0.00 0.02 0.00 0.00 61.00 64.04 2wdr s PRO 381 Cb -0.09 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 31.00 2wdr s PRO 381 CO 0.30 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 2wdr n GLY 382 N 4.08 1.37 3.64 0.52 0.00 -1.26 -0.30 105.19 113.24 2wdr n GLY 382 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2wdr n GLY 382 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdr s LEU 383 N 0.00 3.53 0.08 0.99 2.96 -0.98 0.01 118.68 125.26 2wdr s LEU 383 Ca 0.00 0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2wdr s LEU 383 Cb 0.00 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2wdr s LEU 383 CO 0.00 0.31 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.97 2wdr s PHE 384 N -0.46 0.64 -0.09 5.38 0.08 -0.13 -1.06 117.98 122.34 2wdr s PHE 384 Ca 0.08 -1.10 -0.12 0.00 0.12 0.00 0.00 56.93 55.91 2wdr s PHE 384 Cb -0.12 -0.43 0.03 0.00 -0.57 0.00 0.00 43.02 41.93 2wdr s PHE 384 CO 0.02 -0.40 0.31 0.00 -0.10 0.00 0.00 175.22 175.05 2wdr s ALA 385 N -3.93 -0.77 -0.00 5.36 0.00 0.56 0.24 121.76 123.23 2wdr s ALA 385 Ca 0.12 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 52.68 2wdr s ALA 385 Cb 0.08 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.86 2wdr s ALA 385 CO -0.06 -0.18 0.23 0.14 0.00 0.00 0.00 175.76 175.88 2wdr s VAL 386 N -0.26 0.07 0.00 0.00 -7.23 -0.69 -4.52 120.40 107.77 2wdr s VAL 386 Ca -0.04 -0.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 2wdr s VAL 386 Cb -0.03 -0.54 0.00 0.00 0.56 0.00 0.00 36.38 36.36 2wdr s VAL 386 CO 0.01 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 2wdr n GLY 387 N 1.32 -0.92 0.22 2.32 0.00 -1.26 -4.14 105.19 102.73 2wdr n GLY 387 Ca -0.22 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.39 2wdr n GLY 387 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wdr h GLU 388 N 0.00 0.00 0.00 1.61 4.81 -1.93 -0.99 114.58 118.08 2wdr h GLU 388 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2wdr h GLU 388 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2wdr h GLU 388 CO 0.00 0.22 0.00 0.97 -0.73 0.00 0.00 179.01 179.47 2wdr h ILE 389 N 0.00 0.00 -2.98 2.32 6.09 -1.76 -3.39 117.51 117.79 2wdr h ILE 389 Ca -0.00 -0.25 -0.61 0.00 -1.37 0.00 0.00 64.86 62.62 2wdr h ILE 389 Cb 0.42 1.11 -0.04 0.00 0.47 0.00 0.00 36.82 38.78 2wdr h ILE 389 CO 0.03 0.00 -0.40 0.00 -3.07 0.00 0.00 178.15 174.71 2wdr s ALA 390 N -3.66 3.88 -0.31 0.18 0.00 -0.39 -0.75 121.76 120.70 2wdr s ALA 390 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.34 2wdr s ALA 390 Cb 0.09 -2.01 0.09 0.00 0.00 0.00 0.00 23.12 21.29 2wdr s ALA 390 CO 0.42 0.71 0.00 0.00 0.00 0.00 0.00 175.76 176.90 2wdr h VAL 392 N 6.66 1.50 -3.29 0.00 2.07 -1.83 -2.55 116.25 118.80 2wdr h VAL 392 Ca -0.09 -2.20 -0.66 0.00 0.82 0.00 0.00 66.70 64.57 2wdr h VAL 392 Cb 1.03 2.85 -0.30 0.00 -1.52 0.00 0.00 31.29 33.35 2wdr h VAL 392 CO 0.50 0.62 -0.80 -0.55 0.02 0.00 0.00 177.57 177.36 2wdr s SER 393 N -6.70 3.69 0.00 0.57 0.15 -1.26 -4.28 113.70 105.87 2wdr s SER 393 Ca -0.14 -0.45 0.24 0.00 0.70 0.00 0.00 55.95 56.30 2wdr s SER 393 Cb 0.02 -1.56 0.19 0.00 -1.71 0.00 0.00 66.02 62.96 2wdr s SER 393 CO 0.80 0.11 1.23 1.33 1.20 0.00 0.00 173.24 177.91 2wdr n VAL 394 N 3.89 0.00 0.15 4.45 0.24 -1.26 -0.99 118.33 124.81 2wdr n VAL 394 Ca -0.19 -0.31 0.03 0.00 -2.04 0.00 0.00 64.34 61.83 2wdr n VAL 394 Cb 0.52 1.18 -0.04 0.00 -1.47 0.00 0.00 33.84 34.04 2wdr n VAL 394 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2wdr n HIS 395 N 0.29 0.00 0.00 6.34 -0.00 -1.26 -4.76 115.22 115.83 2wdr n HIS 395 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 2wdr n HIS 395 Cb 0.48 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.42 2wdr n HIS 395 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2wdr n GLY 396 N 1.57 3.49 0.53 -1.41 0.00 -1.26 -1.55 105.19 106.56 2wdr n GLY 396 Ca 0.00 0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.37 2wdr n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdr n ALA 397 N 11.84 3.39 -3.56 4.61 0.00 -0.58 -4.75 120.51 131.46 2wdr n ALA 397 Ca 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 53.44 52.80 2wdr n ALA 397 Cb 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 2wdr n ALA 397 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2wdr s ASN 398 N -2.34 -1.14 0.39 0.00 2.47 -0.68 -1.39 114.94 112.24 2wdr s ASN 398 Ca 0.19 1.43 -0.23 0.00 0.42 0.00 0.00 52.86 54.67 2wdr s ASN 398 Cb 0.18 2.24 -0.10 0.00 -1.45 0.00 0.00 41.25 42.11 2wdr s ASN 398 CO 0.52 -0.23 0.96 -0.60 -3.72 0.00 0.00 177.10 174.03 2wdr s ARG 399 N 2.88 4.35 0.23 0.43 3.52 -1.24 -3.40 118.95 125.71 2wdr s ARG 399 Ca -0.01 1.24 -0.10 0.00 -0.13 0.00 0.00 55.73 56.72 2wdr s ARG 399 Cb -0.13 -2.44 -0.07 0.00 -1.56 0.00 0.00 34.95 30.75 2wdr s ARG 399 CO -0.19 0.07 0.56 -0.51 -0.81 0.00 0.00 175.30 174.42 2wdr s LEU 400 N -2.72 4.17 0.26 -0.88 1.43 -1.26 -4.57 118.68 115.10 2wdr s LEU 400 Ca 0.57 0.96 -0.31 0.00 -1.03 0.00 0.00 54.13 54.32 2wdr s LEU 400 Cb -0.14 -3.69 -0.12 0.00 0.03 0.00 0.00 46.19 42.27 2wdr s LEU 400 CO 0.18 -0.07 1.58 0.61 0.23 0.00 0.00 176.35 178.89 2wdr n GLY 401 N -0.10 1.25 2.64 -3.19 0.00 -1.26 -1.58 105.19 102.96 2wdr n GLY 401 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2wdr n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdr n GLY 402 N 2.61 2.41 0.01 -0.02 0.00 -1.26 -4.42 105.19 104.52 2wdr n GLY 402 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 2wdr n GLY 402 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wdr n ASN 403 N 0.00 0.28 -0.04 1.61 4.13 -0.71 -1.30 115.26 119.22 2wdr n ASN 403 Ca 0.00 0.19 -0.15 0.00 1.68 0.00 0.00 54.58 56.30 2wdr n ASN 403 Cb 0.00 -0.19 -0.12 0.00 -1.54 0.00 0.00 39.78 37.93 2wdr n ASN 403 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2wdr h SER 404 N 0.00 0.10 -0.73 6.41 0.87 -1.90 -2.36 113.55 115.94 2wdr h SER 404 Ca 0.00 -0.88 0.03 0.00 -1.23 0.00 0.00 61.79 59.71 2wdr h SER 404 Cb 0.53 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.41 2wdr h SER 404 CO 0.00 0.96 0.46 -0.07 -0.53 0.00 0.00 176.83 177.65 2wdr h LEU 405 N -0.76 0.75 -0.02 2.23 3.38 -1.88 0.15 115.31 119.16 2wdr h LEU 405 Ca -0.02 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2wdr h LEU 405 Cb 0.99 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 2wdr h LEU 405 CO 0.03 0.52 -0.19 0.25 0.09 0.00 0.00 178.44 179.13 2wdr h LEU 406 N 0.89 -0.56 -0.30 1.67 5.85 -1.64 -2.15 115.31 119.07 2wdr h LEU 406 Ca 0.29 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.13 2wdr h LEU 406 Cb 0.02 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 2wdr h LEU 406 CO -0.11 -0.25 -0.43 -0.78 -0.34 0.00 0.00 178.44 176.53 2wdr h ASP 407 N -0.29 -1.43 -0.79 1.25 1.82 -0.78 0.15 116.42 116.36 2wdr h ASP 407 Ca 0.06 0.19 0.10 0.00 -0.39 0.00 0.00 57.03 56.99 2wdr h ASP 407 Cb 0.38 0.58 -0.12 0.00 0.68 0.00 0.00 39.33 40.85 2wdr h ASP 407 CO -0.20 -0.32 -0.49 -0.07 -1.61 0.00 0.00 179.24 176.56 2wdr h LEU 408 N -0.32 -1.75 0.07 2.28 3.38 -0.34 0.11 115.31 118.73 2wdr h LEU 408 Ca 0.05 0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 2wdr h LEU 408 Cb 0.46 0.80 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2wdr h LEU 408 CO -0.45 -0.30 -0.03 0.58 0.09 0.00 0.00 178.44 178.33 2wdr h VAL 409 N -0.13 1.08 -0.39 1.22 2.07 -1.04 -0.48 116.25 118.57 2wdr h VAL 409 Ca 0.19 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2wdr h VAL 409 Cb 0.52 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2wdr h VAL 409 CO -0.82 0.13 0.16 0.58 0.02 0.00 0.00 177.57 177.63 2wdr h VAL 410 N -0.32 1.19 0.00 2.57 2.07 0.27 -0.64 116.25 121.39 2wdr h VAL 410 Ca -0.01 -0.59 -0.12 0.00 0.82 0.00 0.00 66.70 66.80 2wdr h VAL 410 Cb 0.28 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2wdr h VAL 410 CO 0.02 0.21 -0.99 -0.26 0.02 0.00 0.00 177.57 176.57 2wdr h PHE 411 N 0.49 0.00 -0.32 1.57 0.04 -0.90 -0.18 116.94 117.63 2wdr h PHE 411 Ca 0.13 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 2wdr h PHE 411 Cb 0.18 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 2wdr h PHE 411 CO -0.00 0.48 0.09 0.78 -0.60 0.00 0.00 178.31 179.06 2wdr h GLY 412 N 3.67 0.54 0.90 -1.45 0.00 -1.05 -0.94 103.07 104.74 2wdr h GLY 412 Ca -0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 2wdr h GLY 412 CO 0.05 0.30 -0.20 -0.09 0.00 0.00 0.00 176.54 176.60 2wdr h ARG 413 N 0.36 -0.55 -0.84 4.80 2.43 -1.10 -2.95 114.38 116.53 2wdr h ARG 413 Ca 0.10 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.43 2wdr h ARG 413 Cb 0.26 0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 29.85 2wdr h ARG 413 CO -0.00 -0.31 0.47 0.00 -1.51 0.00 0.00 179.97 178.62 2wdr h ALA 414 N -0.13 1.24 -0.60 2.80 0.00 -1.01 0.12 119.26 121.67 2wdr h ALA 414 Ca -0.06 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2wdr h ALA 414 Cb 0.49 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2wdr h ALA 414 CO 0.10 0.03 0.34 0.00 0.00 0.00 0.00 179.25 179.72 2wdr h ALA 415 N 1.50 0.78 -0.08 0.00 0.00 -1.10 -0.10 119.26 120.25 2wdr h ALA 415 Ca 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 2wdr h ALA 415 Cb 0.49 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2wdr h ALA 415 CO -0.29 0.04 -0.07 0.78 0.00 0.00 0.00 179.25 179.71 2wdr h GLY 416 N 0.65 0.21 -0.25 0.00 0.00 -1.21 -2.11 103.07 100.37 2wdr h GLY 416 Ca 0.25 -0.20 0.30 0.00 0.00 0.00 0.00 47.33 47.68 2wdr h GLY 416 CO -0.14 0.18 0.73 1.41 0.00 0.00 0.00 176.54 178.72 2wdr h LEU 417 N -0.21 0.30 -2.95 3.11 3.38 -0.39 -1.78 115.31 116.75 2wdr h LEU 417 Ca 0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2wdr h LEU 417 Cb 0.56 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2wdr h LEU 417 CO 0.02 0.04 0.00 1.41 0.09 0.00 0.00 178.44 180.00 2wdr n HIS 418 N -4.50 0.72 -0.19 1.13 8.25 -0.10 -4.53 115.22 116.00 2wdr n HIS 418 Ca 0.26 -0.57 -0.09 0.00 -0.26 0.00 0.00 57.72 57.06 2wdr n HIS 418 Cb 1.02 -0.09 0.04 0.00 1.12 0.00 0.00 29.99 32.07 2wdr n HIS 418 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2wdr h LEU 419 N 2.53 1.01 0.26 2.41 5.85 -0.64 -1.25 115.31 125.48 2wdr h LEU 419 Ca 0.00 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 2wdr h LEU 419 Cb 0.96 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2wdr h LEU 419 CO 0.06 1.10 -0.14 1.56 -0.34 0.00 0.00 178.44 180.68 2wdr h GLN 420 N 0.92 -0.36 -0.90 1.25 4.20 -1.84 -0.66 115.11 117.73 2wdr h GLN 420 Ca 0.15 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 2wdr h GLN 420 Cb 0.62 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.44 2wdr h GLN 420 CO 0.04 -0.24 0.51 0.93 -0.67 0.00 0.00 178.83 179.40 2wdr h GLU 421 N -0.37 1.25 -0.27 1.46 5.08 -1.89 -1.10 114.58 118.75 2wdr h GLU 421 Ca -0.03 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2wdr h GLU 421 Cb 0.29 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 2wdr h GLU 421 CO 0.05 0.91 0.05 0.77 -1.00 0.00 0.00 179.01 179.79 2wdr h SER 422 N 1.26 0.01 -0.35 1.42 0.02 -0.94 0.26 113.55 115.23 2wdr h SER 422 Ca 0.32 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.25 2wdr h SER 422 Cb 0.01 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2wdr h SER 422 CO -0.05 0.04 -0.03 0.40 -1.14 0.00 0.00 176.83 176.04 2wdr h ILE 423 N 0.15 1.27 -0.93 3.27 2.04 -0.81 -1.86 117.51 120.65 2wdr h ILE 423 Ca 0.12 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2wdr h ILE 423 Cb 0.13 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 2wdr h ILE 423 CO -0.17 0.34 0.55 0.00 0.00 0.00 0.00 178.15 178.88 2wdr h ALA 424 N 0.84 1.18 -0.21 1.87 0.00 -1.01 -2.38 119.26 119.54 2wdr h ALA 424 Ca 0.09 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2wdr h ALA 424 Cb 0.51 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2wdr h ALA 424 CO 0.02 0.65 -0.23 1.49 0.00 0.00 0.00 179.25 181.18 2wdr h GLU 425 N 1.28 0.39 0.00 0.00 4.81 -0.11 -2.94 114.58 118.01 2wdr h GLU 425 Ca 0.33 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2wdr h GLU 425 Cb -0.04 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2wdr h GLU 425 CO -0.06 0.60 -0.41 -0.56 -0.73 0.00 0.00 179.01 177.85 2wdr h GLN 426 N 0.35 0.00 -0.76 1.92 3.07 -1.07 -3.49 115.11 115.14 2wdr h GLN 426 Ca 0.06 0.00 0.08 0.00 0.09 0.00 0.00 58.65 58.87 2wdr h GLN 426 Cb 0.60 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.13 2wdr h GLN 426 CO 0.04 0.00 -0.25 0.41 0.09 0.00 0.00 178.83 179.12 2wdr n GLY 427 N 1.24 -2.55 3.70 0.06 0.00 -0.93 -4.79 105.19 101.91 2wdr n GLY 427 Ca 0.03 -1.38 -0.44 0.00 0.00 0.00 0.00 46.02 44.24 2wdr n GLY 427 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdr n ALA 428 N -2.57 1.96 -2.70 4.61 0.00 -1.26 -4.89 120.51 115.65 2wdr n ALA 428 Ca -0.02 0.41 -0.37 0.00 0.00 0.00 0.00 53.44 53.46 2wdr n ALA 428 Cb 0.15 -2.40 -0.07 0.00 0.00 0.00 0.00 19.45 17.13 2wdr n ALA 428 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wdr s LEU 429 N 0.46 4.32 0.72 0.00 1.43 -1.26 -5.00 118.68 119.35 2wdr s LEU 429 Ca 0.72 0.61 -0.16 0.00 -1.03 0.00 0.00 54.13 54.27 2wdr s LEU 429 Cb -0.59 -2.37 0.03 0.00 0.03 0.00 0.00 46.19 43.29 2wdr s LEU 429 CO 0.42 0.20 1.25 -0.60 0.23 0.00 0.00 176.35 177.85 2wdr s ARG 430 N -0.15 2.14 0.68 1.70 3.52 -1.26 -4.88 118.95 120.70 2wdr s ARG 430 Ca 0.18 1.91 -0.15 0.00 -0.13 0.00 0.00 55.73 57.54 2wdr s ARG 430 Cb -0.14 -1.82 0.01 0.00 -1.56 0.00 0.00 34.95 31.45 2wdr s ARG 430 CO 0.06 -1.87 1.14 -0.51 -0.81 0.00 0.00 175.30 173.31 2wdr s ASP 431 N -1.76 4.83 0.18 -2.12 1.01 -1.26 -4.73 116.67 112.82 2wdr s ASP 431 Ca 0.78 2.12 -0.30 0.00 0.71 0.00 0.00 52.55 55.86 2wdr s ASP 431 Cb -0.33 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 40.96 2wdr s ASP 431 CO 0.44 -1.82 1.02 0.00 0.21 0.00 0.00 175.17 175.02 2wdr s ALA 432 N -2.21 3.33 0.80 5.23 0.00 -1.26 -4.53 121.76 123.12 2wdr s ALA 432 Ca 0.69 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 2wdr s ALA 432 Cb -0.23 -3.30 0.08 0.00 0.00 0.00 0.00 23.12 19.67 2wdr s ALA 432 CO 0.42 -0.06 1.17 -1.54 0.00 0.00 0.00 175.76 175.76 2wdr s SER 433 N -0.39 4.55 0.38 0.00 1.04 -1.26 -4.84 113.70 113.17 2wdr s SER 433 Ca 0.46 0.81 0.09 0.00 0.48 0.00 0.00 55.95 57.79 2wdr s SER 433 Cb -0.27 -1.33 0.75 0.00 0.10 0.00 0.00 66.02 65.27 2wdr s SER 433 CO 0.33 -1.88 1.89 -0.08 0.98 0.00 0.00 173.24 174.49 2wdr h GLU 434 N -1.04 0.25 0.00 4.02 4.81 -2.00 -1.83 114.58 118.79 2wdr h GLU 434 Ca -0.46 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 2wdr h GLU 434 Cb 1.32 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 2wdr h GLU 434 CO 0.66 0.41 -0.11 0.66 -0.73 0.00 0.00 179.01 179.89 2wdr h SER 435 N 0.24 0.00 -0.55 1.04 4.64 -1.98 -1.08 113.55 115.86 2wdr h SER 435 Ca 0.05 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 2wdr h SER 435 Cb 0.41 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2wdr h SER 435 CO 0.02 0.11 0.14 0.44 -0.87 0.00 0.00 176.83 176.67 2wdr h ASP 436 N 0.00 0.84 0.06 4.97 3.32 -1.67 -2.18 116.42 121.77 2wdr h ASP 436 Ca -0.00 -0.23 -0.24 0.00 0.02 0.00 0.00 57.03 56.58 2wdr h ASP 436 Cb 1.02 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.36 2wdr h ASP 436 CO 0.01 0.86 -0.91 0.58 -1.72 0.00 0.00 179.24 178.06 2wdr h VAL 437 N 0.79 1.32 -0.43 -1.35 2.07 -1.36 -3.05 116.25 114.23 2wdr h VAL 437 Ca 0.17 -2.20 0.06 0.00 0.82 0.00 0.00 66.70 65.55 2wdr h VAL 437 Cb 0.34 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 2wdr h VAL 437 CO 0.00 0.68 0.29 -0.08 0.02 0.00 0.00 177.57 178.48 2wdr h GLU 438 N 0.39 0.35 -0.73 1.57 4.57 -1.14 -2.20 114.58 117.39 2wdr h GLU 438 Ca -0.09 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 2wdr h GLU 438 Cb 1.54 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 30.02 2wdr h GLU 438 CO 0.17 0.23 0.30 0.00 -1.18 0.00 0.00 179.01 178.53 2wdr h ALA 439 N 1.76 0.95 -0.43 2.92 0.00 -1.30 -2.51 119.26 120.65 2wdr h ALA 439 Ca 0.19 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2wdr h ALA 439 Cb 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2wdr h ALA 439 CO -0.04 0.56 0.29 0.77 0.00 0.00 0.00 179.25 180.83 2wdr h SER 440 N 1.04 0.24 1.15 0.00 0.02 -1.47 -2.12 113.55 112.42 2wdr h SER 440 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2wdr h SER 440 Cb 0.20 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2wdr h SER 440 CO -0.02 0.15 -0.11 0.18 -1.14 0.00 0.00 176.83 175.89 2wdr n LEU 441 N -4.47 0.48 -0.10 5.07 4.77 -0.96 -4.06 117.00 117.73 2wdr n LEU 441 Ca 0.06 0.46 -0.06 0.00 -0.03 0.00 0.00 56.01 56.44 2wdr n LEU 441 Cb 0.31 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2wdr n LEU 441 CO 0.35 -0.08 0.69 0.44 -1.33 0.00 0.00 177.39 177.46 2wdr h ASP 442 N 0.00 -0.81 -0.65 -1.43 3.32 -1.37 0.16 116.42 115.65 2wdr h ASP 442 Ca 0.00 0.16 0.10 0.00 0.02 0.00 0.00 57.03 57.31 2wdr h ASP 442 Cb 0.63 0.40 -0.08 0.00 0.22 0.00 0.00 39.33 40.51 2wdr h ASP 442 CO 0.00 -0.27 0.26 -0.09 -1.72 0.00 0.00 179.24 177.42 2wdr h ARG 443 N -0.19 0.43 -0.25 3.56 2.43 -1.80 -1.22 114.38 117.35 2wdr h ARG 443 Ca 0.18 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2wdr h ARG 443 Cb 0.47 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2wdr h ARG 443 CO -0.48 0.29 -0.06 1.25 -1.51 0.00 0.00 179.97 179.46 2wdr h LEU 444 N 0.45 0.49 -1.11 3.80 5.85 -1.64 -3.15 115.31 120.00 2wdr h LEU 444 Ca 0.33 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.75 2wdr h LEU 444 Cb 0.41 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2wdr h LEU 444 CO -0.32 0.74 0.61 0.78 -0.34 0.00 0.00 178.44 179.91 2wdr h ASN 445 N 0.23 0.95 0.23 1.25 2.35 -0.18 -1.93 115.58 118.48 2wdr h ASN 445 Ca 0.06 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2wdr h ASN 445 Cb 0.52 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 2wdr h ASN 445 CO 0.02 0.61 -0.44 -0.09 -1.65 0.00 0.00 177.43 175.89 2wdr h ARG 446 N 1.08 -0.72 -0.93 0.81 2.43 -1.25 -2.53 114.38 113.26 2wdr h ARG 446 Ca 0.40 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.73 2wdr h ARG 446 Cb 0.17 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.81 2wdr h ARG 446 CO -0.15 -0.48 0.57 -1.49 -1.51 0.00 0.00 179.97 176.91 2wdr h TRP 447 N -0.75 1.03 0.00 2.20 4.06 -1.47 -0.52 115.95 120.51 2wdr h TRP 447 Ca -0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 2wdr h TRP 447 Cb 0.73 -0.32 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 2wdr h TRP 447 CO -0.33 0.42 0.00 -0.91 -3.56 0.00 0.00 178.44 174.06 2wdr h ASN 448 N 0.92 0.00 0.00 -3.49 2.35 -1.03 -2.79 115.58 111.54 2wdr h ASN 448 Ca 0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.21 2wdr h ASN 448 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2wdr h ASN 448 CO -0.25 0.00 -1.36 0.59 -1.65 0.00 0.00 177.43 174.75 2wdr n ASN 449 N -2.95 1.19 -4.53 5.81 5.03 -0.33 -4.66 115.26 114.81 2wdr n ASN 449 Ca -0.01 -0.30 -0.43 0.00 0.87 0.00 0.00 54.58 54.72 2wdr n ASN 449 Cb 0.19 1.46 -0.04 0.00 -1.02 0.00 0.00 39.78 40.37 2wdr n ASN 449 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 2wdr s ASN 450 N -3.32 6.38 -0.19 6.41 3.84 -0.60 -4.64 114.94 122.82 2wdr s ASN 450 Ca -0.02 -0.23 0.08 0.00 0.21 0.00 0.00 52.86 52.90 2wdr s ASN 450 Cb 0.10 -2.42 -0.17 0.00 -0.55 0.00 0.00 41.25 38.21 2wdr s ASN 450 CO 0.64 -1.12 -0.07 0.54 -2.79 0.00 0.00 177.10 174.30 2wdr n ARG 451 N 7.20 0.88 -0.15 0.43 5.12 -1.26 -1.58 116.66 127.30 2wdr n ARG 451 Ca 0.02 0.06 0.05 0.00 -1.93 0.00 0.00 57.85 56.05 2wdr n ARG 451 Cb 0.48 -1.43 0.13 0.00 -1.16 0.00 0.00 32.46 30.48 2wdr n ARG 451 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2wdr n ASN 452 N -2.89 2.76 -3.29 0.55 3.02 -1.26 -4.53 115.26 109.62 2wdr n ASN 452 Ca -0.33 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.22 2wdr n ASN 452 Cb 0.97 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 2wdr n ASN 452 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wdr n GLY 453 N 0.34 -1.86 3.82 7.41 0.00 -1.26 -4.74 105.19 108.90 2wdr n GLY 453 Ca 0.10 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 2wdr n GLY 453 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdr s GLU 454 N -0.31 3.13 -0.31 1.61 2.02 0.40 -4.18 118.70 121.05 2wdr s GLU 454 Ca 0.00 1.02 -0.29 0.00 0.02 0.00 0.00 54.97 55.72 2wdr s GLU 454 Cb 0.00 -2.01 0.01 0.00 0.10 0.00 0.00 34.13 32.22 2wdr s GLU 454 CO 0.00 -0.95 1.21 0.34 0.02 0.00 0.00 175.26 175.88 2wdr s ASP 455 N -3.49 6.77 0.47 -0.19 2.15 -1.26 -0.70 116.67 120.40 2wdr s ASP 455 Ca 0.59 1.12 0.12 0.00 0.43 0.00 0.00 52.55 54.82 2wdr s ASP 455 Cb -0.14 -2.54 1.07 0.00 -0.30 0.00 0.00 42.92 41.01 2wdr s ASP 455 CO 0.49 -1.02 2.09 1.55 -0.17 0.00 0.00 175.17 178.11 2wdr h PRO 456 N 8.85 0.20 -0.16 4.34 0.13 -1.96 -2.71 132.00 140.69 2wdr h PRO 456 Ca -0.24 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.92 2wdr h PRO 456 Cb 1.08 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 2wdr h PRO 456 CO 1.04 0.17 -0.16 0.28 -0.23 0.00 0.00 178.00 179.10 2wdr h VAL 457 N 0.20 0.57 -0.72 1.56 2.07 -1.98 -0.46 116.25 117.50 2wdr h VAL 457 Ca 0.05 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 2wdr h VAL 457 Cb 0.04 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 2wdr h VAL 457 CO -0.01 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.76 2wdr h ALA 458 N 0.90 0.96 -0.54 1.67 0.00 -1.94 -2.44 119.26 117.88 2wdr h ALA 458 Ca 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wdr h ALA 458 Cb 0.34 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2wdr h ALA 458 CO -0.27 0.67 0.33 0.82 0.00 0.00 0.00 179.25 180.80 2wdr h ILE 459 N 1.08 1.16 -0.03 0.00 2.04 -1.24 -1.23 117.51 119.29 2wdr h ILE 459 Ca 0.23 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2wdr h ILE 459 Cb 0.37 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2wdr h ILE 459 CO 0.00 0.16 0.02 -0.09 0.00 0.00 0.00 178.15 178.25 2wdr h ARG 460 N 0.72 0.04 -0.89 2.37 2.43 -0.99 -1.18 114.38 116.88 2wdr h ARG 460 Ca 0.19 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.38 2wdr h ARG 460 Cb -0.02 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 2wdr h ARG 460 CO -0.04 0.05 0.58 0.87 -1.51 0.00 0.00 179.97 179.93 2wdr h LYS 461 N 0.03 1.13 -0.66 0.20 1.57 -1.33 0.56 116.57 118.07 2wdr h LYS 461 Ca 0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2wdr h LYS 461 Cb 0.02 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 2wdr h LYS 461 CO -0.00 0.75 0.41 0.00 -0.57 0.00 0.00 179.45 180.04 2wdr h ALA 462 N 1.35 0.83 0.20 3.86 0.00 -1.11 -1.43 119.26 122.96 2wdr h ALA 462 Ca 0.34 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2wdr h ALA 462 Cb -0.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2wdr h ALA 462 CO -0.10 0.29 -0.10 1.25 0.00 0.00 0.00 179.25 180.60 2wdr h LEU 463 N 0.89 -0.23 -0.10 0.00 6.46 0.01 -1.76 115.31 120.58 2wdr h LEU 463 Ca 0.24 -0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2wdr h LEU 463 Cb -0.06 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 39.92 2wdr h LEU 463 CO -0.05 -0.05 0.05 1.56 -0.62 0.00 0.00 178.44 179.33 2wdr h GLN 464 N -0.40 0.15 -0.84 1.25 4.20 -0.85 -1.94 115.11 116.67 2wdr h GLN 464 Ca -0.03 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.76 2wdr h GLN 464 Cb 0.31 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 27.99 2wdr h GLN 464 CO 0.05 0.22 0.48 1.49 -0.67 0.00 0.00 178.83 180.39 2wdr h GLU 465 N 0.03 0.76 0.25 1.46 4.81 -1.32 -0.90 114.58 119.69 2wdr h GLU 465 Ca 0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2wdr h GLU 465 Cb 0.13 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2wdr h GLU 465 CO -0.00 0.50 -0.25 0.00 -0.73 0.00 0.00 179.01 178.53 2wdr h MET 467 N -0.54 0.43 -0.38 0.00 2.86 -1.02 -2.03 114.93 114.25 2wdr h MET 467 Ca -0.01 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 2wdr h MET 467 Cb 0.50 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 2wdr h MET 467 CO -0.05 0.28 -0.11 0.37 1.06 0.00 0.00 176.91 178.46 2wdr h GLN 468 N 0.44 0.74 0.00 1.72 5.75 -0.68 -0.92 115.11 122.16 2wdr h GLN 468 Ca 0.16 -0.29 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 2wdr h GLN 468 Cb 0.08 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.60 2wdr h GLN 468 CO -0.04 0.89 -0.65 0.45 -2.65 0.00 0.00 178.83 176.84 2wdr h HIS 469 N 0.55 0.00 0.00 3.99 3.86 -1.17 -3.31 115.15 119.07 2wdr h HIS 469 Ca 0.09 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2wdr h HIS 469 Cb 0.63 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.10 2wdr h HIS 469 CO 0.05 0.00 -1.14 0.09 0.86 0.00 0.00 177.93 177.79 2wdr n ASN 470 N -2.18 4.37 -1.65 2.45 3.02 -0.80 -4.63 115.26 115.84 2wdr n ASN 470 Ca 0.03 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.56 2wdr n ASN 470 Cb 0.45 0.97 0.08 0.00 -0.61 0.00 0.00 39.78 40.67 2wdr n ASN 470 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2wdr n PHE 471 N -1.74 0.85 -0.08 3.10 3.72 -0.37 -4.35 117.46 118.60 2wdr n PHE 471 Ca -0.02 -1.50 0.00 0.00 -0.05 0.00 0.00 57.45 55.89 2wdr n PHE 471 Cb 0.21 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 2wdr n PHE 471 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2wdr n SER 472 N -0.45 0.00 -0.16 4.37 2.88 -1.23 -4.75 113.62 114.28 2wdr n SER 472 Ca 0.18 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.67 2wdr n SER 472 Cb 0.91 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.41 2wdr n SER 472 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2wdr h VAL 473 N 0.00 1.01 -3.47 2.46 2.07 -1.93 -3.36 116.25 113.03 2wdr h VAL 473 Ca 0.00 -0.19 -0.66 0.00 0.82 0.00 0.00 66.70 66.67 2wdr h VAL 473 Cb 0.00 0.42 -0.21 0.00 -1.52 0.00 0.00 31.29 29.97 2wdr h VAL 473 CO 0.00 0.10 -0.69 -0.36 0.02 0.00 0.00 177.57 176.64 2wdr s PHE 474 N -6.14 2.95 0.07 1.57 0.08 -1.26 -4.12 117.98 111.13 2wdr s PHE 474 Ca -0.13 -0.21 0.07 0.00 0.12 0.00 0.00 56.93 56.78 2wdr s PHE 474 Cb 0.13 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.72 2wdr s PHE 474 CO 0.74 0.10 -0.18 1.03 -0.10 0.00 0.00 175.22 176.81 2wdr s ARG 475 N -0.16 1.09 0.11 0.44 0.52 0.23 -4.69 118.95 116.48 2wdr s ARG 475 Ca 0.02 -0.97 0.06 0.00 -0.52 0.00 0.00 55.73 54.32 2wdr s ARG 475 Cb -0.13 -1.21 -0.04 0.00 0.52 0.00 0.00 34.95 34.10 2wdr s ARG 475 CO 0.03 0.29 -0.15 -1.83 0.02 0.00 0.00 175.30 173.66 2wdr s GLU 476 N -1.51 0.99 0.30 3.54 -1.05 -1.26 -1.22 118.70 118.50 2wdr s GLU 476 Ca 0.04 -1.16 0.03 0.00 -0.15 0.00 0.00 54.97 53.74 2wdr s GLU 476 Cb -0.09 -0.97 0.63 0.00 -0.44 0.00 0.00 34.13 33.26 2wdr s GLU 476 CO 0.03 0.20 1.85 0.78 0.95 0.00 0.00 175.26 179.07 2wdr h GLY 477 N 3.79 1.49 0.65 -3.83 0.00 -1.98 -2.40 103.07 100.79 2wdr h GLY 477 Ca -0.41 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 2wdr h GLY 477 CO 0.46 0.15 -0.13 -0.55 0.00 0.00 0.00 176.54 176.47 2wdr h ASP 478 N 0.92 -0.31 -0.38 0.19 5.19 -2.00 -2.63 116.42 117.39 2wdr h ASP 478 Ca 0.47 -0.19 0.08 0.00 -0.62 0.00 0.00 57.03 56.77 2wdr h ASP 478 Cb 0.52 0.08 -0.08 0.00 0.18 0.00 0.00 39.33 40.04 2wdr h ASP 478 CO -0.24 0.05 -0.14 0.00 -3.12 0.00 0.00 179.24 175.80 2wdr h ALA 479 N -0.14 0.18 -0.63 3.45 0.00 -1.91 -2.03 119.26 118.18 2wdr h ALA 479 Ca -0.04 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wdr h ALA 479 Cb 0.49 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2wdr h ALA 479 CO 0.06 -0.50 0.41 0.52 0.00 0.00 0.00 179.25 179.74 2wdr h MET 480 N -0.06 0.83 -0.07 0.00 2.86 -1.47 0.54 114.93 117.57 2wdr h MET 480 Ca 0.19 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.65 2wdr h MET 480 Cb 0.34 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2wdr h MET 480 CO -0.42 0.56 -0.50 0.00 1.06 0.00 0.00 176.91 177.60 2wdr h ALA 481 N 1.60 1.03 0.23 6.32 0.00 -1.08 -1.86 119.26 125.50 2wdr h ALA 481 Ca 0.23 -0.47 -0.34 0.00 0.00 0.00 0.00 54.91 54.33 2wdr h ALA 481 Cb -0.09 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.64 2wdr h ALA 481 CO -0.05 0.65 -1.58 0.87 0.00 0.00 0.00 179.25 179.15 2wdr h LYS 482 N 0.14 0.48 -0.43 0.00 1.57 -0.61 -2.99 116.57 114.72 2wdr h LYS 482 Ca 0.00 -0.82 0.01 0.00 -1.87 0.00 0.00 60.65 57.98 2wdr h LYS 482 Cb 0.94 0.30 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 2wdr h LYS 482 CO 0.07 1.39 0.28 0.78 -0.57 0.00 0.00 179.45 181.40 2wdr h GLY 483 N 0.43 0.61 1.01 3.86 0.00 0.03 -1.08 103.07 107.92 2wdr h GLY 483 Ca -0.29 -0.21 0.07 0.00 0.00 0.00 0.00 47.33 46.90 2wdr h GLY 483 CO 0.24 0.20 0.48 -2.00 0.00 0.00 0.00 176.54 175.46 2wdr h LEU 484 N 0.56 0.65 -0.22 3.11 5.85 -1.44 -0.43 115.31 123.39 2wdr h LEU 484 Ca 0.16 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.74 2wdr h LEU 484 Cb -0.04 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.86 2wdr h LEU 484 CO -0.05 0.41 -0.44 -0.33 -0.34 0.00 0.00 178.44 177.69 2wdr h GLU 485 N 0.73 0.68 -0.14 1.25 4.39 -1.25 -2.45 114.58 117.81 2wdr h GLU 485 Ca 0.32 -0.45 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 2wdr h GLU 485 Cb 0.30 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2wdr h GLU 485 CO -0.11 1.07 -0.18 1.96 -1.16 0.00 0.00 179.01 180.59 2wdr h GLN 486 N 0.39 0.22 -0.05 2.33 4.20 -0.66 -2.34 115.11 119.20 2wdr h GLN 486 Ca 0.01 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2wdr h GLN 486 Cb 1.05 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 2wdr h GLN 486 CO 0.10 0.40 0.01 -0.07 -0.67 0.00 0.00 178.83 178.60 2wdr h LEU 487 N 0.21 0.09 -0.86 1.46 3.38 -1.01 0.24 115.31 118.81 2wdr h LEU 487 Ca 0.04 -0.26 0.19 0.00 0.09 0.00 0.00 57.88 57.93 2wdr h LEU 487 Cb 0.44 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.06 2wdr h LEU 487 CO 0.03 0.33 0.39 0.11 0.09 0.00 0.00 178.44 179.39 2wdr h LYS 488 N -0.16 0.45 0.36 1.13 1.57 -1.10 0.35 116.57 119.17 2wdr h LYS 488 Ca 0.02 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2wdr h LYS 488 Cb 0.28 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2wdr h LYS 488 CO 0.00 0.30 -0.18 0.28 -0.57 0.00 0.00 179.45 179.29 2wdr h VAL 489 N 0.47 0.63 -1.00 0.50 2.07 -1.12 -2.33 116.25 115.47 2wdr h VAL 489 Ca 0.51 -0.40 0.12 0.00 0.82 0.00 0.00 66.70 67.75 2wdr h VAL 489 Cb 0.88 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 31.40 2wdr h VAL 489 CO -0.47 0.08 0.63 0.40 0.02 0.00 0.00 177.57 178.23 2wdr h ILE 490 N -0.72 0.92 0.00 4.57 2.04 0.18 -1.46 117.51 123.04 2wdr h ILE 490 Ca -0.05 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 2wdr h ILE 490 Cb 0.50 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 2wdr h ILE 490 CO 0.08 0.18 -0.35 -0.09 0.00 0.00 0.00 178.15 177.97 2wdr h ARG 491 N 0.99 0.00 -0.11 2.37 2.43 -0.30 -2.20 114.38 117.56 2wdr h ARG 491 Ca 0.50 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.61 2wdr h ARG 491 Cb 0.49 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2wdr h ARG 491 CO -0.27 0.35 -0.17 0.93 -1.51 0.00 0.00 179.97 179.30 2wdr h GLU 492 N 0.00 0.31 -0.79 0.20 4.39 -0.75 -3.01 114.58 114.94 2wdr h GLU 492 Ca -0.00 -0.19 0.17 0.00 0.34 0.00 0.00 59.36 59.68 2wdr h GLU 492 Cb 0.71 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.33 2wdr h GLU 492 CO 0.05 0.76 0.53 0.00 -1.16 0.00 0.00 179.01 179.19 2wdr h ARG 493 N -0.11 0.34 -0.01 2.33 3.08 -1.02 -1.87 114.38 117.12 2wdr h ARG 493 Ca 0.01 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 2wdr h ARG 493 Cb 0.74 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 2wdr h ARG 493 CO 0.04 0.22 -0.78 1.25 -1.07 0.00 0.00 179.97 179.64 2wdr h LEU 494 N 0.35 0.11 0.00 3.04 5.85 -1.35 -2.69 115.31 120.61 2wdr h LEU 494 Ca 0.39 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2wdr h LEU 494 Cb 1.02 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2wdr h LEU 494 CO -0.12 0.84 0.00 0.29 -0.34 0.00 0.00 178.44 179.11 2wdr n LYS 495 N -3.67 0.18 -0.85 1.25 5.02 -0.72 -1.55 118.16 117.81 2wdr n LYS 495 Ca -0.02 0.09 0.04 0.00 -2.02 0.00 0.00 58.31 56.40 2wdr n LYS 495 Cb 0.74 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.31 2wdr n LYS 495 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2wdr n ASN 496 N -1.12 0.91 -4.86 4.39 5.15 -1.04 -4.92 115.26 113.77 2wdr n ASN 496 Ca 0.05 -2.39 -0.31 0.00 -0.60 0.00 0.00 54.58 51.32 2wdr n ASN 496 Cb 0.04 -0.31 -0.01 0.00 -0.53 0.00 0.00 39.78 38.97 2wdr n ASN 496 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wdr s ALA 497 N -0.79 3.10 0.02 5.20 0.00 -0.73 -0.22 121.76 128.35 2wdr s ALA 497 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 51.96 52.24 2wdr s ALA 497 Cb 0.24 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2wdr s ALA 497 CO -0.07 -0.48 -0.11 -0.98 0.00 0.00 0.00 175.76 174.11 2wdr s ARG 498 N -4.69 2.34 -0.55 0.00 1.70 -0.23 -4.37 118.95 113.16 2wdr s ARG 498 Ca 0.56 -0.84 -0.18 0.00 -0.47 0.00 0.00 55.73 54.80 2wdr s ARG 498 Cb -0.11 -2.37 0.09 0.00 -0.57 0.00 0.00 34.95 32.00 2wdr s ARG 498 CO 0.44 0.57 0.61 -1.17 -1.08 0.00 0.00 175.30 174.68 2wdr s LEU 499 N -1.48 5.45 0.43 -1.89 2.96 -0.79 -4.24 118.68 119.14 2wdr s LEU 499 Ca 0.16 -1.36 0.28 0.00 -0.22 0.00 0.00 54.13 53.00 2wdr s LEU 499 Cb -0.11 -2.31 0.97 0.00 0.50 0.00 0.00 46.19 45.25 2wdr s LEU 499 CO 0.07 -0.96 1.82 0.44 -1.32 0.00 0.00 176.35 176.39 2wdr h ASP 500 N 9.04 0.00 -3.37 3.68 3.32 -1.92 -3.30 116.42 123.87 2wdr h ASP 500 Ca -0.29 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.10 2wdr h ASP 500 Cb 1.09 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.37 2wdr h ASP 500 CO 1.03 0.00 -0.73 -0.62 -1.72 0.00 0.00 179.24 177.20 2wdr s ASP 501 N -5.45 4.27 -0.01 6.45 -1.08 -1.27 -4.38 116.67 115.20 2wdr s ASP 501 Ca 0.04 -0.36 0.21 0.00 -0.52 0.00 0.00 52.55 51.92 2wdr s ASP 501 Cb 0.08 -1.72 -0.27 0.00 -1.46 0.00 0.00 42.92 39.56 2wdr s ASP 501 CO 0.56 0.03 0.75 1.07 0.52 0.00 0.00 175.17 178.10 2wdr n THR 502 N 4.47 0.00 -0.58 1.71 5.66 -1.27 -4.14 114.28 120.14 2wdr n THR 502 Ca -0.18 -0.18 -0.29 0.00 -3.05 0.00 0.00 64.05 60.35 2wdr n THR 502 Cb 0.51 0.64 0.26 0.00 -1.55 0.00 0.00 70.33 70.19 2wdr n THR 502 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2wdr s SER 503 N -3.55 0.22 0.00 1.09 1.04 -1.26 -4.66 113.70 106.58 2wdr s SER 503 Ca 0.02 1.12 0.00 0.00 0.48 0.00 0.00 55.95 57.57 2wdr s SER 503 Cb 0.15 -1.68 0.00 0.00 0.10 0.00 0.00 66.02 64.59 2wdr s SER 503 CO 0.88 -4.61 0.00 -1.54 0.98 0.00 0.00 173.24 168.95 2wdr n SER 504 N -5.15 0.87 -4.40 7.02 3.41 -1.26 -4.35 113.62 109.76 2wdr n SER 504 Ca 0.08 -0.25 -0.45 0.00 -0.26 0.00 0.00 58.87 57.99 2wdr n SER 504 Cb 0.57 0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 65.17 2wdr n SER 504 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2wdr s GLU 505 N -0.85 3.42 -1.05 4.33 2.56 -1.26 -2.23 118.70 123.61 2wdr s GLU 505 Ca 0.00 -1.78 -0.10 0.00 0.00 0.00 0.00 54.97 53.08 2wdr s GLU 505 Cb 0.00 -4.57 -0.04 0.00 2.00 0.00 0.00 34.13 31.52 2wdr s GLU 505 CO 0.00 -1.58 0.86 0.34 -0.56 0.00 0.00 175.26 174.32 2wdr n PHE 506 N 5.84 -2.33 -3.04 5.30 7.35 -0.62 -4.13 117.46 125.83 2wdr n PHE 506 Ca 0.10 0.75 -0.45 0.00 -0.76 0.00 0.00 57.45 57.10 2wdr n PHE 506 Cb 0.46 -3.89 -0.03 0.00 0.35 0.00 0.00 39.48 36.38 2wdr n PHE 506 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2wdr s ASN 507 N -3.37 6.63 0.47 -2.13 3.84 -1.26 -4.25 114.94 114.88 2wdr s ASN 507 Ca 0.42 -2.16 0.22 0.00 0.21 0.00 0.00 52.86 51.55 2wdr s ASN 507 Cb -0.09 -2.35 1.19 0.00 -0.55 0.00 0.00 41.25 39.46 2wdr s ASN 507 CO 0.78 -0.95 1.99 0.71 -2.79 0.00 0.00 177.10 176.84 2wdr h THR 508 N 5.57 0.78 -0.49 -5.21 1.35 -1.95 -2.85 112.91 110.12 2wdr h THR 508 Ca 0.12 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 2wdr h THR 508 Cb 1.03 1.45 -0.02 0.00 -1.73 0.00 0.00 68.15 68.88 2wdr h THR 508 CO 1.02 0.18 0.32 -0.61 -0.25 0.00 0.00 175.52 176.18 2wdr h GLN 509 N 0.00 0.66 -0.47 4.72 5.75 -1.96 -1.39 115.11 122.42 2wdr h GLN 509 Ca -0.00 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 2wdr h GLN 509 Cb 0.43 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 2wdr h GLN 509 CO 0.02 0.45 0.12 -0.09 -2.65 0.00 0.00 178.83 176.68 2wdr h ARG 510 N 0.66 0.70 -0.09 1.69 2.43 -1.82 -1.64 114.38 116.32 2wdr h ARG 510 Ca 0.18 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2wdr h ARG 510 Cb -0.05 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 2wdr h ARG 510 CO -0.04 0.64 0.02 0.28 -1.51 0.00 0.00 179.97 179.36 2wdr h VAL 511 N 0.68 1.19 0.00 0.20 2.07 -1.50 -1.48 116.25 117.41 2wdr h VAL 511 Ca 0.15 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 2wdr h VAL 511 Cb 0.25 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2wdr h VAL 511 CO -0.00 0.16 -0.19 -0.33 0.02 0.00 0.00 177.57 177.23 2wdr h GLU 512 N -0.06 0.00 -0.08 1.57 5.08 -0.92 0.17 114.58 120.34 2wdr h GLU 512 Ca 0.03 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.19 2wdr h GLU 512 Cb 0.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.50 2wdr h GLU 512 CO -0.00 0.19 -0.72 0.00 -1.00 0.00 0.00 179.01 177.49 2wdr h LEU 514 N 0.28 0.69 -0.41 0.00 3.38 -0.26 -2.62 115.31 116.36 2wdr h LEU 514 Ca -0.07 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2wdr h LEU 514 Cb 1.37 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2wdr h LEU 514 CO 0.15 0.64 0.09 -0.33 0.09 0.00 0.00 178.44 179.08 2wdr h GLU 515 N 0.74 0.65 -0.99 1.13 5.08 -0.71 -3.02 114.58 117.46 2wdr h GLU 515 Ca 0.17 -0.16 0.16 0.00 -1.00 0.00 0.00 59.36 58.54 2wdr h GLU 515 Cb 0.19 -0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.25 2wdr h GLU 515 CO -0.01 0.68 0.60 1.25 -1.00 0.00 0.00 179.01 180.53 2wdr h LEU 516 N 0.52 0.81 -1.43 1.33 5.85 -1.08 0.40 115.31 121.72 2wdr h LEU 516 Ca 0.13 0.08 0.19 0.00 0.84 0.00 0.00 57.88 59.11 2wdr h LEU 516 Cb 0.32 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 2wdr h LEU 516 CO 0.00 0.34 0.59 0.44 -0.34 0.00 0.00 178.44 179.47 2wdr h ASP 517 N 0.82 0.49 0.23 1.25 3.32 -1.46 -0.50 116.42 120.57 2wdr h ASP 517 Ca 0.54 0.04 -0.34 0.00 0.02 0.00 0.00 57.03 57.29 2wdr h ASP 517 Cb 0.75 -0.05 0.03 0.00 0.22 0.00 0.00 39.33 40.28 2wdr h ASP 517 CO -0.35 0.21 -1.60 0.78 -1.72 0.00 0.00 179.24 176.56 2wdr h ASN 518 N 0.49 0.75 -0.86 6.45 2.35 -0.36 -2.01 115.58 122.39 2wdr h ASN 518 Ca 0.47 -0.93 0.19 0.00 -0.55 0.00 0.00 56.30 55.47 2wdr h ASN 518 Cb 1.03 -0.25 -0.11 0.00 0.05 0.00 0.00 38.32 39.04 2wdr h ASN 518 CO -0.20 1.75 0.39 -0.07 -1.65 0.00 0.00 177.43 177.65 2wdr h LEU 519 N 0.13 0.37 0.57 1.61 3.38 -0.66 -1.00 115.31 119.71 2wdr h LEU 519 Ca -0.30 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2wdr h LEU 519 Cb 2.14 0.09 0.01 0.00 0.09 0.00 0.00 40.66 42.99 2wdr h LEU 519 CO 0.23 0.07 -0.27 -0.03 0.09 0.00 0.00 178.44 178.54 2wdr h MET 520 N 0.47 -0.73 -0.82 1.13 4.05 -1.03 -0.09 114.93 117.90 2wdr h MET 520 Ca 0.51 0.05 0.18 0.00 -0.28 0.00 0.00 59.70 60.16 2wdr h MET 520 Cb 0.89 0.17 -0.11 0.00 -0.80 0.00 0.00 31.60 31.74 2wdr h MET 520 CO -0.47 -0.49 0.30 0.93 0.23 0.00 0.00 176.91 177.42 2wdr h GLU 521 N -0.89 0.37 0.43 0.39 4.39 -1.25 0.79 114.58 118.81 2wdr h GLU 521 Ca -0.08 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 2wdr h GLU 521 Cb 0.58 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2wdr h GLU 521 CO 0.13 0.24 -0.21 1.15 -1.16 0.00 0.00 179.01 179.16 2wdr h THR 522 N 0.38 0.55 -0.97 1.13 2.02 -1.19 -0.71 112.91 114.12 2wdr h THR 522 Ca 0.48 -0.31 0.13 0.00 0.77 0.00 0.00 66.41 67.48 2wdr h THR 522 Cb 0.84 0.69 -0.08 0.00 -1.74 0.00 0.00 68.15 67.86 2wdr h THR 522 CO -0.49 0.06 0.61 0.00 0.37 0.00 0.00 175.52 176.07 2wdr h ALA 523 N -0.29 1.62 0.26 6.16 0.00 -0.37 -0.74 119.26 125.90 2wdr h ALA 523 Ca -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2wdr h ALA 523 Cb 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2wdr h ALA 523 CO 0.10 0.13 -0.13 -0.92 0.00 0.00 0.00 179.25 178.43 2wdr h TYR 524 N 0.89 -0.33 -0.14 0.00 3.20 -0.76 -1.99 116.97 117.85 2wdr h TYR 524 Ca 0.48 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.39 2wdr h TYR 524 Cb 0.57 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2wdr h TYR 524 CO -0.00 0.02 0.10 0.00 -1.64 0.00 0.00 178.16 176.64 2wdr h ALA 525 N -0.16 2.09 0.11 1.82 0.00 -0.75 -0.51 119.26 121.87 2wdr h ALA 525 Ca -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2wdr h ALA 525 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2wdr h ALA 525 CO 0.06 -0.17 -0.06 1.15 0.00 0.00 0.00 179.25 180.23 2wdr h THR 526 N 0.00 1.06 0.05 0.00 2.02 -1.08 -2.69 112.91 112.27 2wdr h THR 526 Ca 0.06 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.50 2wdr h THR 526 Cb 0.27 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2wdr h THR 526 CO -0.00 0.18 -0.06 0.00 0.37 0.00 0.00 175.52 176.01 2wdr h ALA 527 N 0.32 -0.10 -0.67 6.16 0.00 -0.56 0.18 119.26 124.59 2wdr h ALA 527 Ca -0.02 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2wdr h ALA 527 Cb 0.41 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2wdr h ALA 527 CO 0.03 -0.57 0.44 0.28 0.00 0.00 0.00 179.25 179.43 2wdr h VAL 528 N -0.13 0.92 0.04 0.00 2.07 -1.24 -2.33 116.25 115.59 2wdr h VAL 528 Ca 0.01 -0.18 -0.13 0.00 0.82 0.00 0.00 66.70 67.21 2wdr h VAL 528 Cb 0.13 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2wdr h VAL 528 CO -0.02 0.10 -0.54 0.28 0.02 0.00 0.00 177.57 177.40 2wdr h SER 529 N 0.53 0.41 -0.88 0.57 0.02 -1.07 -2.92 113.55 110.21 2wdr h SER 529 Ca 0.31 -0.84 0.10 0.00 -0.84 0.00 0.00 61.79 60.52 2wdr h SER 529 Cb 0.50 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.85 2wdr h SER 529 CO -0.10 1.20 0.57 0.00 -1.14 0.00 0.00 176.83 177.36 2wdr h ALA 530 N 0.21 1.66 0.01 3.77 0.00 -0.43 -1.36 119.26 123.13 2wdr h ALA 530 Ca -0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wdr h ALA 530 Cb 1.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2wdr h ALA 530 CO 0.10 0.16 -0.01 -0.91 0.00 0.00 0.00 179.25 178.60 2wdr h ASN 531 N 0.86 -0.01 -0.47 0.00 4.21 -1.51 -3.28 115.58 115.38 2wdr h ASN 531 Ca 0.41 -0.14 0.09 0.00 1.21 0.00 0.00 56.30 57.87 2wdr h ASN 531 Cb 0.43 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.56 2wdr h ASN 531 CO -0.18 0.13 0.02 0.15 -1.29 0.00 0.00 177.43 176.26 2wdr h PHE 532 N -0.16 0.00 -2.43 1.19 3.57 -1.08 -3.35 116.94 114.68 2wdr h PHE 532 Ca -0.00 0.03 -0.53 0.00 3.53 0.00 0.00 57.97 61.00 2wdr h PHE 532 Cb 0.15 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 2wdr h PHE 532 CO -0.03 -0.09 1.20 0.50 -2.23 0.00 0.00 178.31 177.67 2wdr s ARG 533 N -6.17 3.04 -1.13 1.11 3.52 -0.92 -4.80 118.95 113.60 2wdr s ARG 533 Ca -0.13 0.49 -0.04 0.00 -0.13 0.00 0.00 55.73 55.92 2wdr s ARG 533 Cb 0.15 -4.24 0.18 0.00 -1.56 0.00 0.00 34.95 29.49 2wdr s ARG 533 CO 0.72 -2.26 2.25 0.25 -0.81 0.00 0.00 175.30 175.46 2wdr n THR 534 N 6.97 5.23 -3.13 4.11 -2.24 -1.26 -4.78 114.28 119.17 2wdr n THR 534 Ca 0.15 -4.66 0.00 0.00 -2.27 0.00 0.00 64.05 57.27 2wdr n THR 534 Cb 0.50 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 2wdr n THR 534 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2wdr n GLU 535 N 1.02 0.00 -3.71 -0.78 0.28 -1.26 -4.83 120.64 111.36 2wdr n GLU 535 Ca 0.56 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 57.30 2wdr n GLU 535 Cb 0.28 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 32.98 2wdr n GLU 535 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2wdr s SER 536 N -0.95 2.43 -0.07 -1.84 0.01 -0.79 -4.14 113.70 108.36 2wdr s SER 536 Ca 0.00 -0.59 -0.04 0.00 1.31 0.00 0.00 55.95 56.64 2wdr s SER 536 Cb 0.00 -0.45 0.03 0.00 0.21 0.00 0.00 66.02 65.81 2wdr s SER 536 CO 0.00 -0.29 0.16 -0.60 0.41 0.00 0.00 173.24 172.91 2wdr s ARG 537 N 1.97 0.12 5.97 12.44 3.52 -0.77 -3.36 118.95 138.84 2wdr s ARG 537 Ca 0.01 0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.97 2wdr s ARG 537 Cb -0.16 -0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.12 2wdr s ARG 537 CO -0.07 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 174.69 2wdr n GLY 538 N 3.95 3.59 0.20 8.12 0.00 -1.26 -2.20 105.19 117.59 2wdr n GLY 538 Ca -0.23 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2wdr n GLY 538 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdr h ALA 539 N -0.75 0.53 -2.13 4.61 0.00 -1.59 -3.40 119.26 116.53 2wdr h ALA 539 Ca 0.00 -0.59 -0.56 0.00 0.00 0.00 0.00 54.91 53.76 2wdr h ALA 539 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2wdr h ALA 539 CO 0.00 0.73 1.27 -1.58 0.00 0.00 0.00 179.25 179.67 2wdr s HIS 540 N -3.72 1.54 -0.21 0.00 5.04 -0.98 -4.79 115.29 112.17 2wdr s HIS 540 Ca -0.07 0.21 -0.03 0.00 -1.54 0.00 0.00 55.06 53.63 2wdr s HIS 540 Cb 0.10 -4.05 0.07 0.00 0.04 0.00 0.00 32.58 28.74 2wdr s HIS 540 CO 0.86 -4.17 0.05 0.45 -2.34 0.00 0.00 174.74 169.58 2wdr s SER 541 N 5.53 3.09 -0.12 9.88 0.15 -1.26 -1.73 113.70 129.24 2wdr s SER 541 Ca 0.86 -0.95 -0.04 0.00 0.70 0.00 0.00 55.95 56.52 2wdr s SER 541 Cb -0.33 -0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 63.32 2wdr s SER 541 CO 0.35 -0.32 0.05 -0.13 1.20 0.00 0.00 173.24 174.39 2wdr s ARG 542 N 1.83 3.32 0.19 5.44 0.52 -1.26 -0.50 118.95 128.51 2wdr s ARG 542 Ca 0.01 -0.32 -0.02 0.00 -0.52 0.00 0.00 55.73 54.88 2wdr s ARG 542 Cb -0.17 -2.99 0.12 0.00 0.52 0.00 0.00 34.95 32.43 2wdr s ARG 542 CO -0.11 0.63 1.50 0.74 0.02 0.00 0.00 175.30 178.07 2wdr h PHE 543 N 5.45 0.62 -0.00 -0.53 0.04 -1.60 -3.07 116.94 117.84 2wdr h PHE 543 Ca -0.49 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 60.05 2wdr h PHE 543 Cb 1.20 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.24 2wdr h PHE 543 CO 0.65 0.96 -0.00 -0.40 -0.60 0.00 0.00 178.31 178.92 2wdr n ASP 544 N -3.92 0.04 -2.92 2.17 5.75 -1.26 -3.89 116.55 112.52 2wdr n ASP 544 Ca -0.03 -0.82 -0.14 0.00 -0.01 0.00 0.00 54.79 53.79 2wdr n ASP 544 Cb 0.63 -0.06 0.01 0.00 -1.03 0.00 0.00 41.12 40.66 2wdr n ASP 544 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2wdr n PHE 545 N -1.04 -2.19 0.79 2.11 3.72 -1.20 -4.95 117.46 114.72 2wdr n PHE 545 Ca 0.22 -2.46 0.10 0.00 -0.05 0.00 0.00 57.45 55.26 2wdr n PHE 545 Cb 0.15 0.84 0.47 0.00 -0.94 0.00 0.00 39.48 40.00 2wdr n PHE 545 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2wdr n PRO 546 N 1.48 0.07 -3.74 -1.08 -0.02 -1.18 -2.53 135.00 128.00 2wdr n PRO 546 Ca 0.14 0.12 -0.32 0.00 -2.02 0.00 0.00 63.50 61.42 2wdr n PRO 546 Cb 0.60 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.53 2wdr n PRO 546 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wdr s ASP 547 N -2.91 6.47 -0.26 2.55 1.01 -1.26 -4.56 116.67 117.71 2wdr s ASP 547 Ca 0.12 0.53 -0.28 0.00 0.71 0.00 0.00 52.55 53.63 2wdr s ASP 547 Cb 0.14 -2.07 0.01 0.00 1.01 0.00 0.00 42.92 42.01 2wdr s ASP 547 CO 0.37 0.12 1.00 -0.60 0.21 0.00 0.00 175.17 176.27 2wdr s ARG 548 N -2.42 4.17 -0.84 8.23 3.52 -1.22 -1.80 118.95 128.59 2wdr s ARG 548 Ca 0.37 1.15 -0.10 0.00 -0.13 0.00 0.00 55.73 57.01 2wdr s ARG 548 Cb -0.13 -3.67 0.22 0.00 -1.56 0.00 0.00 34.95 29.81 2wdr s ARG 548 CO 0.23 -0.69 0.76 0.34 -0.81 0.00 0.00 175.30 175.13 2wdr s ASP 549 N 1.38 6.51 0.00 -2.12 2.15 -1.26 -4.82 116.67 118.52 2wdr s ASP 549 Ca 0.42 -2.93 0.21 0.00 0.43 0.00 0.00 52.55 50.67 2wdr s ASP 549 Cb -0.14 -2.12 1.04 0.00 -0.30 0.00 0.00 42.92 41.39 2wdr s ASP 549 CO 0.09 -0.46 1.66 0.47 -0.17 0.00 0.00 175.17 176.76 2wdr n ASP 550 N 3.57 0.00 0.02 -0.34 9.92 -1.26 -0.85 116.55 127.60 2wdr n ASP 550 Ca 0.15 0.02 -0.03 0.00 -0.53 0.00 0.00 54.79 54.39 2wdr n ASP 550 Cb 0.43 -0.30 -0.10 0.00 -0.64 0.00 0.00 41.12 40.52 2wdr n ASP 550 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2wdr h GLU 551 N 0.00 0.00 0.00 -1.24 5.08 -1.98 -3.34 114.58 113.10 2wdr h GLU 551 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wdr h GLU 551 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2wdr h GLU 551 CO 0.00 0.40 -0.78 0.09 -1.00 0.00 0.00 179.01 177.72 2wdr n ASN 552 N -2.98 3.90 -0.21 1.42 3.02 -1.13 -4.76 115.26 114.52 2wdr n ASN 552 Ca -0.11 -0.10 0.05 0.00 -0.03 0.00 0.00 54.58 54.39 2wdr n ASN 552 Cb 0.92 0.98 0.07 0.00 -0.61 0.00 0.00 39.78 41.14 2wdr n ASN 552 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2wdr n TRP 553 N -1.37 0.00 -1.95 3.10 7.02 -0.10 -4.78 117.44 119.36 2wdr n TRP 553 Ca 0.00 -0.55 -0.41 0.00 -1.02 0.00 0.00 57.50 55.51 2wdr n TRP 553 Cb 0.00 -0.10 -0.01 0.00 -2.42 0.00 0.00 31.31 28.78 2wdr n TRP 553 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2wdr n LEU 554 N -0.78 5.58 -3.85 -0.99 7.94 -1.25 -4.71 117.00 118.94 2wdr n LEU 554 Ca 0.08 -3.83 0.00 0.00 -1.11 0.00 0.00 56.01 51.16 2wdr n LEU 554 Cb 0.62 -1.62 0.01 0.00 0.53 0.00 0.00 43.42 42.95 2wdr n LEU 554 CO 0.01 0.37 0.99 0.00 -1.11 0.00 0.00 177.39 177.65 2wdr s HIS 556 N -2.25 3.45 -0.05 0.00 3.76 -0.32 -4.81 115.29 115.09 2wdr s HIS 556 Ca 0.22 0.72 -0.10 0.00 -0.15 0.00 0.00 55.06 55.75 2wdr s HIS 556 Cb 0.00 -2.15 -0.05 0.00 1.11 0.00 0.00 32.58 31.50 2wdr s HIS 556 CO 0.00 0.26 0.27 -1.54 -0.85 0.00 0.00 174.74 172.88 2wdr s SER 557 N -2.71 6.57 -0.11 1.40 1.04 -1.26 -1.77 113.70 116.85 2wdr s SER 557 Ca 0.45 0.67 0.02 0.00 0.48 0.00 0.00 55.95 57.57 2wdr s SER 557 Cb -0.11 -2.14 0.02 0.00 0.10 0.00 0.00 66.02 63.88 2wdr s SER 557 CO 0.25 0.35 -0.15 -0.22 0.98 0.00 0.00 173.24 174.45 2wdr s LEU 558 N -1.20 1.73 -0.51 2.42 2.96 -0.62 -0.62 118.68 122.83 2wdr s LEU 558 Ca 0.21 -0.43 -0.19 0.00 -0.22 0.00 0.00 54.13 53.49 2wdr s LEU 558 Cb -0.14 -1.10 0.06 0.00 0.50 0.00 0.00 46.19 45.51 2wdr s LEU 558 CO 0.10 0.01 0.65 -0.47 -1.32 0.00 0.00 176.35 175.32 2wdr s TYR 559 N 1.02 3.03 -0.34 5.38 5.04 0.06 -1.20 117.35 130.34 2wdr s TYR 559 Ca -0.06 -0.53 -0.29 0.00 -2.44 0.00 0.00 57.07 53.75 2wdr s TYR 559 Cb -0.15 -3.59 0.01 0.00 0.35 0.00 0.00 41.96 38.58 2wdr s TYR 559 CO -0.02 -1.06 1.30 -0.51 -1.34 0.00 0.00 175.55 173.91 2wdr s LEU 560 N 2.70 3.80 0.14 6.97 1.43 -0.18 -3.04 118.68 130.50 2wdr s LEU 560 Ca 0.16 1.05 -0.10 0.00 -1.03 0.00 0.00 54.13 54.20 2wdr s LEU 560 Cb -0.19 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 2wdr s LEU 560 CO 0.12 -1.16 1.46 -0.65 0.23 0.00 0.00 176.35 176.35 2wdr h PRO 561 N 9.53 0.90 -0.54 1.29 0.11 -1.85 -0.53 132.00 140.92 2wdr h PRO 561 Ca -0.26 -0.51 -0.08 0.00 0.11 0.00 0.00 66.00 65.27 2wdr h PRO 561 Cb 1.09 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2wdr h PRO 561 CO 1.05 1.15 0.03 0.93 -0.21 0.00 0.00 178.00 180.96 2wdr h GLU 562 N 0.72 0.90 -0.13 1.05 5.08 -1.89 -2.94 114.58 117.37 2wdr h GLU 562 Ca 0.05 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2wdr h GLU 562 Cb 1.04 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2wdr h GLU 562 CO 0.10 0.88 0.00 -1.13 -1.00 0.00 0.00 179.01 177.86 2wdr n SER 563 N -4.21 2.88 -3.81 1.42 3.41 -1.22 -4.88 113.62 107.21 2wdr n SER 563 Ca 0.03 -1.88 -0.30 0.00 -0.26 0.00 0.00 58.87 56.46 2wdr n SER 563 Cb 0.30 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 2wdr n SER 563 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wdr n GLU 564 N 1.19 -3.42 -4.59 4.33 1.02 -0.24 -4.87 120.64 114.06 2wdr n GLU 564 Ca 0.14 0.42 -0.27 0.00 -0.02 0.00 0.00 57.16 57.43 2wdr n GLU 564 Cb 0.52 -5.15 -0.10 0.00 -0.02 0.00 0.00 31.44 26.69 2wdr n GLU 564 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2wdr s SER 565 N -3.01 3.48 0.39 1.62 1.04 -1.05 -4.89 113.70 111.28 2wdr s SER 565 Ca 0.58 -1.41 0.08 0.00 0.48 0.00 0.00 55.95 55.68 2wdr s SER 565 Cb -0.31 -0.19 -0.02 0.00 0.10 0.00 0.00 66.02 65.60 2wdr s SER 565 CO 0.72 -0.55 0.37 -0.04 0.98 0.00 0.00 173.24 174.72 2wdr s MET 566 N -3.77 2.63 0.00 4.02 -1.94 -1.26 -0.92 119.30 118.05 2wdr s MET 566 Ca 0.32 -1.42 0.00 0.00 -1.71 0.00 0.00 55.69 52.88 2wdr s MET 566 Cb 0.09 -2.45 0.00 0.00 2.01 0.00 0.00 34.83 34.47 2wdr s MET 566 CO 0.16 -0.10 0.00 -2.37 -0.01 0.00 0.00 175.02 172.69 2wdr n THR 567 N -1.52 0.00 -4.00 2.05 5.66 -0.41 -4.80 114.28 111.25 2wdr n THR 567 Ca 0.02 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.94 2wdr n THR 567 Cb 0.61 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.29 2wdr n THR 567 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2wdr s ARG 568 N 0.47 0.54 0.04 1.09 0.52 -1.26 -1.51 118.95 118.84 2wdr s ARG 568 Ca 0.00 -0.91 0.03 0.00 -0.52 0.00 0.00 55.73 54.33 2wdr s ARG 568 Cb 0.00 0.20 -0.02 0.00 0.52 0.00 0.00 34.95 35.64 2wdr s ARG 568 CO 0.00 -0.11 -0.11 1.03 0.02 0.00 0.00 175.30 176.13 2wdr s ARG 569 N -2.89 0.69 0.49 3.54 0.52 -0.78 -4.79 118.95 115.73 2wdr s ARG 569 Ca -0.03 -0.72 -0.24 0.00 -0.52 0.00 0.00 55.73 54.22 2wdr s ARG 569 Cb 0.00 -0.60 -0.07 0.00 0.52 0.00 0.00 34.95 34.80 2wdr s ARG 569 CO -0.06 0.14 1.41 0.43 0.02 0.00 0.00 175.30 177.24 2wdr n SER 570 N 1.75 3.11 -4.67 0.23 7.64 -1.26 -1.09 113.62 119.32 2wdr n SER 570 Ca -0.20 1.06 -0.40 0.00 1.01 0.00 0.00 58.87 60.34 2wdr n SER 570 Cb 0.55 -1.60 -0.05 0.00 -1.01 0.00 0.00 64.21 62.10 2wdr n SER 570 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2wdr s VAL 571 N -1.23 4.98 0.21 0.44 1.01 -1.26 -4.56 120.40 120.00 2wdr s VAL 571 Ca 0.65 1.37 -0.30 0.00 0.00 0.00 0.00 61.98 63.70 2wdr s VAL 571 Cb -0.43 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 31.84 2wdr s VAL 571 CO 0.54 0.11 1.32 0.21 0.00 0.00 0.00 175.10 177.28 2wdr s ASN 572 N 1.10 6.88 -0.29 3.32 3.84 -1.26 -4.85 114.94 123.67 2wdr s ASN 572 Ca 0.33 2.43 0.19 0.00 0.21 0.00 0.00 52.86 56.02 2wdr s ASN 572 Cb -0.16 -2.61 0.49 0.00 -0.55 0.00 0.00 41.25 38.41 2wdr s ASN 572 CO 0.12 -0.54 1.09 0.23 -2.79 0.00 0.00 177.10 175.22 2wdr n MET 573 N 2.53 1.98 -3.53 0.43 2.81 -1.26 -1.02 117.12 119.06 2wdr n MET 573 Ca 0.06 -3.61 -0.28 0.00 -1.81 0.00 0.00 57.70 52.06 2wdr n MET 573 Cb 0.43 -1.67 -0.12 0.00 -0.71 0.00 0.00 33.22 31.15 2wdr n MET 573 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2wdr s GLU 574 N -3.63 1.00 1.37 0.03 2.02 -1.26 -4.51 118.70 113.72 2wdr s GLU 574 Ca 0.32 -1.92 -0.23 0.00 0.02 0.00 0.00 54.97 53.16 2wdr s GLU 574 Cb 0.37 -1.76 0.35 0.00 0.10 0.00 0.00 34.13 33.19 2wdr s GLU 574 CO -0.02 -1.26 0.88 -2.30 0.02 0.00 0.00 175.26 172.57 2wdr n PRO 575 N 3.35 -4.46 0.00 0.39 -0.02 -1.26 -4.37 135.00 128.63 2wdr n PRO 575 Ca 0.18 -1.46 0.00 0.00 -2.02 0.00 0.00 63.50 60.20 2wdr n PRO 575 Cb 0.40 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 2wdr n PRO 575 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wdr n LYS 576 N -5.49 1.33 -0.00 -0.52 4.76 -1.26 -4.66 118.16 112.32 2wdr n LYS 576 Ca 0.14 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.61 2wdr n LYS 576 Cb 0.57 -0.98 -0.04 0.00 -1.84 0.00 0.00 35.03 32.75 2wdr n LYS 576 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wdr n LEU 577 N -1.58 0.29 -3.82 -0.35 4.77 -1.26 -4.88 117.00 110.17 2wdr n LEU 577 Ca 0.00 -0.47 -0.10 0.00 -0.03 0.00 0.00 56.01 55.41 2wdr n LEU 577 Cb 0.14 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2wdr n LEU 577 CO 0.00 0.07 0.10 0.00 -1.33 0.00 0.00 177.39 176.24 2wdr s ARG 578 N -1.67 1.19 0.57 3.23 1.70 -1.26 -5.02 118.95 117.69 2wdr s ARG 578 Ca 0.02 -0.97 -0.17 0.00 -0.47 0.00 0.00 55.73 54.14 2wdr s ARG 578 Cb 0.05 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 2wdr s ARG 578 CO 0.27 -0.46 1.09 -2.14 -1.08 0.00 0.00 175.30 172.97 2wdr s PRO 579 N -3.90 3.29 0.64 3.89 0.02 -1.26 -4.30 135.00 133.39 2wdr s PRO 579 Ca 0.11 1.40 -0.18 0.00 0.02 0.00 0.00 61.00 62.35 2wdr s PRO 579 Cb 0.02 -2.02 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 2wdr s PRO 579 CO -0.04 -0.86 1.25 0.00 -0.33 0.00 0.00 177.00 177.03 2wdr s ALA 580 N -2.14 2.39 -0.30 -1.55 0.00 -1.26 -4.82 121.76 114.08 2wdr s ALA 580 Ca 0.68 1.10 -0.24 0.00 0.00 0.00 0.00 51.96 53.50 2wdr s ALA 580 Cb -0.19 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2wdr s ALA 580 CO 0.32 -1.51 0.84 -0.06 0.00 0.00 0.00 175.76 175.35 2wdr s PHE 581 N -1.55 3.22 0.53 0.00 0.08 -1.26 -4.94 117.98 114.05 2wdr s PHE 581 Ca 0.80 0.93 -0.20 0.00 0.12 0.00 0.00 56.93 58.57 2wdr s PHE 581 Cb -0.34 -3.26 -0.06 0.00 -0.57 0.00 0.00 43.02 38.79 2wdr s PHE 581 CO 0.38 -0.56 1.15 -2.14 -0.10 0.00 0.00 175.22 173.95 2wdr s PRO 582 N 3.04 3.42 0.07 0.24 0.02 -1.26 -4.86 135.00 135.67 2wdr s PRO 582 Ca 0.35 1.69 -0.31 0.00 0.02 0.00 0.00 61.00 62.75 2wdr s PRO 582 Cb -0.14 -2.11 -0.07 0.00 0.02 0.00 0.00 34.50 32.20 2wdr s PRO 582 CO 0.12 -0.81 1.46 -2.14 -0.33 0.00 0.00 177.00 175.30 2wdr s PRO 583 N -3.12 4.27 0.32 5.54 0.02 -1.26 -4.92 135.00 135.85 2wdr s PRO 583 Ca 0.71 2.11 0.04 0.00 0.02 0.00 0.00 61.00 63.88 2wdr s PRO 583 Cb -0.26 -3.44 -0.02 0.00 0.02 0.00 0.00 34.50 30.81 2wdr s PRO 583 CO 0.30 -0.56 0.15 0.36 -0.33 0.00 0.00 177.00 176.92 2wdr n LYS 584 N 4.83 0.55 -2.10 5.54 2.85 -1.26 -5.06 118.16 123.52 2wdr n LYS 584 Ca 0.13 -2.81 -0.42 0.00 -1.05 0.00 0.00 58.31 54.17 2wdr n LYS 584 Cb 0.42 1.74 -0.03 0.00 -0.65 0.00 0.00 35.03 36.51 2wdr n LYS 584 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2wdr s ILE 585 N -2.89 2.94 -0.49 0.58 1.01 -1.26 -4.91 121.20 116.19 2wdr s ILE 585 Ca 0.21 0.75 -0.09 0.00 0.00 0.00 0.00 60.65 61.53 2wdr s ILE 585 Cb 0.01 -3.48 0.12 0.00 0.01 0.00 0.00 42.46 39.12 2wdr s ILE 585 CO 0.15 0.10 0.36 -0.60 0.00 0.00 0.00 174.94 174.95 2wdr s ARG 586 N 0.10 2.51 0.03 2.79 3.52 -1.26 -4.99 118.95 121.64 2wdr s ARG 586 Ca 0.60 -1.81 0.02 0.00 -0.13 0.00 0.00 55.73 54.41 2wdr s ARG 586 Cb -0.39 -3.94 -0.02 0.00 -1.56 0.00 0.00 34.95 29.04 2wdr s ARG 586 CO 0.38 -1.20 -0.06 0.95 -0.81 0.00 0.00 175.30 174.56 2wdr s THR 587 N 1.28 0.46 -1.58 4.11 -4.23 -1.26 -5.08 115.64 109.33 2wdr s THR 587 Ca 0.06 -0.77 0.13 0.00 -1.18 0.00 0.00 61.69 59.93 2wdr s THR 587 Cb -0.26 -0.49 0.10 0.00 1.34 0.00 0.00 72.50 73.19 2wdr s THR 587 CO -0.01 -0.22 0.90 -1.22 -0.54 0.00 0.00 174.62 173.53