#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 2.97 -4.09 0.03 0.00 -1.26 -4.98 118.16 110.84 2wdr n LYS 2 Ca 0.00 -2.72 -0.16 0.00 0.00 0.00 0.00 58.31 55.43 2wdr n LYS 2 Cb 0.00 -1.76 -0.15 0.00 0.00 0.00 0.00 35.03 33.12 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 -2.51 1.85 0.32 3.14 2.96 -1.26 -5.12 118.68 118.06 2wdr s LEU 3 Ca 0.39 -0.07 -0.29 0.00 -0.22 0.00 0.00 54.13 53.94 2wdr s LEU 3 Cb 0.31 -0.24 -0.12 0.00 0.50 0.00 0.00 46.19 46.64 2wdr s LEU 3 CO 0.10 0.03 1.40 -2.65 -1.32 0.00 0.00 176.35 173.91 2wdr n PRO 4 N 3.20 2.29 -4.21 0.98 -0.02 -1.26 -4.80 135.00 131.17 2wdr n PRO 4 Ca -0.15 0.81 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 2wdr n PRO 4 Cb 0.57 -2.46 -0.15 0.00 -0.02 0.00 0.00 33.50 31.44 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 -0.70 2.99 -0.25 -1.45 1.01 -1.26 -1.48 120.40 119.26 2wdr s VAL 5 Ca 0.59 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 2wdr s VAL 5 Cb -0.56 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.52 2wdr s VAL 5 CO 0.58 0.48 -0.01 -0.13 0.00 0.00 0.00 175.10 176.01 2wdr s ARG 6 N 1.11 3.11 -0.12 2.72 0.52 -0.02 -4.98 118.95 121.28 2wdr s ARG 6 Ca 0.01 -0.82 -0.04 0.00 -0.52 0.00 0.00 55.73 54.36 2wdr s ARG 6 Cb -0.14 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 2wdr s ARG 6 CO -0.03 -0.34 0.02 -2.00 0.02 0.00 0.00 175.30 172.97 2wdr s GLU 7 N 1.43 3.39 0.14 3.54 2.12 -1.26 -0.20 118.70 127.85 2wdr s GLU 7 Ca 0.03 -0.39 -0.05 0.00 0.36 0.00 0.00 54.97 54.92 2wdr s GLU 7 Cb -0.16 -2.95 -0.03 0.00 0.26 0.00 0.00 34.13 31.26 2wdr s GLU 7 CO -0.02 0.52 0.15 -0.06 -0.54 0.00 0.00 175.26 175.31 2wdr s PHE 8 N -0.37 0.62 -0.01 5.30 0.08 0.13 -4.94 117.98 118.79 2wdr s PHE 8 Ca 0.08 -1.00 -0.25 0.00 0.12 0.00 0.00 56.93 55.88 2wdr s PHE 8 Cb -0.12 -0.28 -0.18 0.00 -0.57 0.00 0.00 43.02 41.87 2wdr s PHE 8 CO 0.02 -0.59 1.22 -0.44 -0.10 0.00 0.00 175.22 175.33 2wdr h ASP 9 N 2.75 -0.17 -4.32 1.36 3.32 -1.83 -3.26 116.42 114.28 2wdr h ASP 9 Ca -0.34 -0.31 -0.61 0.00 0.02 0.00 0.00 57.03 55.79 2wdr h ASP 9 Cb 1.21 0.04 -0.30 0.00 0.22 0.00 0.00 39.33 40.50 2wdr h ASP 9 CO 0.55 0.25 -0.86 0.00 -1.72 0.00 0.00 179.24 177.47 2wdr s ALA 10 N -4.50 1.74 -0.20 3.45 0.00 -0.85 -1.62 121.76 119.79 2wdr s ALA 10 Ca -0.15 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 2wdr s ALA 10 Cb 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.67 2wdr s ALA 10 CO 0.59 0.40 -0.10 0.08 0.00 0.00 0.00 175.76 176.73 2wdr s VAL 11 N -0.38 2.91 -0.43 0.00 1.01 -0.39 -1.21 120.40 121.90 2wdr s VAL 11 Ca 0.05 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 2wdr s VAL 11 Cb -0.09 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 34.04 2wdr s VAL 11 CO 0.00 0.47 0.33 -0.69 0.00 0.00 0.00 175.10 175.21 2wdr s VAL 12 N 1.38 5.13 -0.78 2.92 1.01 0.11 -1.28 120.40 128.89 2wdr s VAL 12 Ca 0.05 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 2wdr s VAL 12 Cb -0.14 -3.96 0.06 0.00 0.00 0.00 0.00 36.38 32.34 2wdr s VAL 12 CO -0.06 -0.43 1.18 -0.63 0.00 0.00 0.00 175.10 175.15 2wdr s ILE 13 N 1.64 4.08 0.00 2.22 1.01 -0.33 -0.78 121.20 129.04 2wdr s ILE 13 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.41 2wdr s ILE 13 Cb -0.22 -4.84 0.00 0.00 0.01 0.00 0.00 42.46 37.41 2wdr s ILE 13 CO 0.08 -1.69 0.00 0.61 0.00 0.00 0.00 174.94 173.94 2wdr n GLY 14 N 5.62 4.05 1.93 6.18 0.00 0.02 -0.72 105.19 122.28 2wdr n GLY 14 Ca 0.08 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.30 3.92 -1.49 4.61 0.00 -1.23 -4.36 120.51 121.67 2wdr n ALA 15 Ca 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.13 2wdr n ALA 15 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.64 0.77 0.24 0.00 0.00 -1.26 -4.60 105.19 99.70 2wdr n GLY 16 Ca 0.27 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.34 0.83 -0.02 0.00 -1.95 -0.98 103.07 99.61 2wdr h GLY 17 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 47.33 48.02 2wdr h GLY 17 CO 0.00 -0.40 -0.16 0.00 0.00 0.00 0.00 176.54 175.98 2wdr h ALA 18 N -0.84 -0.34 -0.65 3.60 0.00 -1.91 -2.30 119.26 116.82 2wdr h ALA 18 Ca 0.02 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2wdr h ALA 18 Cb 0.34 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 2wdr h ALA 18 CO -0.23 -0.71 0.31 0.78 0.00 0.00 0.00 179.25 179.40 2wdr h GLY 19 N -0.37 0.95 1.74 0.00 0.00 -1.74 -0.79 103.07 102.86 2wdr h GLY 19 Ca -0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 47.33 47.01 2wdr h GLY 19 CO -0.03 0.06 -0.48 -0.33 0.00 0.00 0.00 176.54 175.76 2wdr h MET 20 N 0.54 0.28 -0.27 4.80 2.86 -1.01 0.33 114.93 122.46 2wdr h MET 20 Ca 0.32 -0.15 -0.11 0.00 -2.06 0.00 0.00 59.70 57.69 2wdr h MET 20 Cb 0.32 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 2wdr h MET 20 CO -0.25 0.70 -0.26 -0.09 1.06 0.00 0.00 176.91 178.07 2wdr h ARG 21 N 0.23 0.66 -0.45 1.72 9.65 -1.06 -1.61 114.38 123.52 2wdr h ARG 21 Ca 0.01 -0.34 -0.09 0.00 -1.10 0.00 0.00 59.98 58.46 2wdr h ARG 21 Cb 0.93 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.50 2wdr h ARG 21 CO 0.08 0.95 -0.06 0.00 2.80 0.00 0.00 179.97 183.73 2wdr h ALA 22 N 0.70 0.61 0.18 2.80 0.00 -0.79 -0.89 119.26 121.88 2wdr h ALA 22 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2wdr h ALA 22 Cb 0.82 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2wdr h ALA 22 CO 0.06 0.47 -0.18 0.00 0.00 0.00 0.00 179.25 179.60 2wdr h ALA 23 N 0.89 -0.37 -0.36 0.00 0.00 -0.36 0.25 119.26 119.31 2wdr h ALA 23 Ca 0.12 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2wdr h ALA 23 Cb 0.59 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 2wdr h ALA 23 CO 0.04 -0.73 -0.13 1.25 0.00 0.00 0.00 179.25 179.68 2wdr h LEU 24 N -0.39 -0.44 0.70 0.00 5.85 -1.07 -1.69 115.31 118.27 2wdr h LEU 24 Ca 0.00 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 2wdr h LEU 24 Cb 0.37 0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.67 2wdr h LEU 24 CO -0.04 -0.16 -0.34 -0.61 -0.34 0.00 0.00 178.44 176.95 2wdr h GLN 25 N -0.05 -0.91 -0.92 1.25 5.75 -0.93 -2.29 115.11 117.01 2wdr h GLN 25 Ca 0.18 0.06 0.26 0.00 -0.15 0.00 0.00 58.65 59.00 2wdr h GLN 25 Cb 0.32 0.21 -0.14 0.00 1.07 0.00 0.00 27.48 28.94 2wdr h GLN 25 CO -0.40 -0.59 0.35 0.82 -2.65 0.00 0.00 178.83 176.36 2wdr h ILE 26 N -1.02 0.32 0.25 2.39 2.04 -0.78 -2.28 117.51 118.44 2wdr h ILE 26 Ca -0.10 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2wdr h ILE 26 Cb 0.74 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2wdr h ILE 26 CO 0.16 0.05 -0.12 -1.28 0.00 0.00 0.00 178.15 176.95 2wdr h SER 27 N 0.26 -0.29 0.02 1.72 0.87 -1.21 -2.48 113.55 112.44 2wdr h SER 27 Ca 0.61 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 2wdr h SER 27 Cb 1.29 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2wdr h SER 27 CO -0.63 0.08 0.00 0.00 -0.53 0.00 0.00 176.83 175.75 2wdr n GLN 28 N -5.09 0.01 -0.45 2.24 6.02 -0.87 -1.79 117.38 117.45 2wdr n GLN 28 Ca -0.09 0.31 0.09 0.00 -0.01 0.00 0.00 57.00 57.29 2wdr n GLN 28 Cb 0.25 -1.50 0.30 0.00 1.02 0.00 0.00 30.24 30.31 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 -1.32 3.87 0.00 1.08 7.64 -0.90 -4.92 113.62 119.07 2wdr n SER 29 Ca 0.00 -2.23 0.00 0.00 1.01 0.00 0.00 58.87 57.65 2wdr n SER 29 Cb 0.01 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 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 1.22 2.89 3.85 0.23 0.00 -0.74 -5.05 105.19 107.59 2wdr n GLY 30 Ca 0.22 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 3.91 0.53 1.61 -0.21 -1.19 -5.02 119.66 119.28 2wdr s GLN 31 Ca 0.00 0.85 -0.18 0.00 0.02 0.00 0.00 55.36 56.05 2wdr s GLN 31 Cb 0.00 -2.19 -0.07 0.00 1.00 0.00 0.00 33.01 31.76 2wdr s GLN 31 CO 0.00 -0.22 1.03 0.95 -2.12 0.00 0.00 175.29 174.93 2wdr s THR 32 N -2.58 3.96 -0.28 -0.19 -4.23 -1.26 -4.28 115.64 106.78 2wdr s THR 32 Ca 0.57 1.05 -0.15 0.00 -1.18 0.00 0.00 61.69 61.98 2wdr s THR 32 Cb -0.10 -3.48 0.09 0.00 1.34 0.00 0.00 72.50 70.36 2wdr s THR 32 CO 0.31 -0.43 0.69 0.00 -0.54 0.00 0.00 174.62 174.66 2wdr s ALA 34 N 1.86 3.32 -0.44 0.00 0.00 -0.35 -4.06 121.76 122.09 2wdr s ALA 34 Ca -0.09 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 50.88 2wdr s ALA 34 Cb -0.06 -1.96 0.08 0.00 0.00 0.00 0.00 23.12 21.17 2wdr s ALA 34 CO -0.20 -0.02 0.32 -1.17 0.00 0.00 0.00 175.76 174.69 2wdr s LEU 35 N 0.75 5.36 0.29 0.00 2.96 0.05 0.09 118.68 128.18 2wdr s LEU 35 Ca 0.03 -1.42 -0.12 0.00 -0.22 0.00 0.00 54.13 52.40 2wdr s LEU 35 Cb -0.13 -2.08 -0.08 0.00 0.50 0.00 0.00 46.19 44.40 2wdr s LEU 35 CO 0.02 -0.58 0.65 -0.76 -1.32 0.00 0.00 176.35 174.36 2wdr s LEU 36 N 1.52 4.09 -0.28 -0.68 1.02 0.04 -0.40 118.68 124.00 2wdr s LEU 36 Ca 0.03 1.09 -0.16 0.00 0.02 0.00 0.00 54.13 55.11 2wdr s LEU 36 Cb -0.24 -3.88 0.10 0.00 0.02 0.00 0.00 46.19 42.19 2wdr s LEU 36 CO 0.04 -0.16 0.76 -0.55 0.02 0.00 0.00 176.35 176.46 2wdr s SER 37 N -2.42 -0.84 0.00 2.29 0.15 -1.06 -0.80 113.70 111.03 2wdr s SER 37 Ca 0.51 1.35 0.27 0.00 0.70 0.00 0.00 55.95 58.78 2wdr s SER 37 Cb -0.11 1.35 1.20 0.00 -1.71 0.00 0.00 66.02 66.75 2wdr s SER 37 CO 0.21 -0.21 1.88 2.29 1.20 0.00 0.00 173.24 178.61 2wdr n LYS 38 N 4.13 0.07 -4.45 5.44 2.85 -1.15 0.67 118.16 125.72 2wdr n LYS 38 Ca -0.20 0.03 -0.22 0.00 -1.05 0.00 0.00 58.31 56.88 2wdr n LYS 38 Cb 0.59 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.36 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 -2.93 1.33 0.15 0.58 -7.23 -1.26 -4.51 120.40 106.53 2wdr s VAL 39 Ca 0.15 -2.02 -0.33 0.00 -1.81 0.00 0.00 61.98 57.97 2wdr s VAL 39 Cb 0.18 -2.73 -0.13 0.00 0.56 0.00 0.00 36.38 34.26 2wdr s VAL 39 CO 0.48 -0.07 1.69 0.33 -0.31 0.00 0.00 175.10 177.22 2wdr n PHE 40 N -0.68 2.50 -0.28 2.82 7.35 -1.26 -4.04 117.46 123.87 2wdr n PHE 40 Ca -0.03 0.11 0.17 0.00 -0.76 0.00 0.00 57.45 56.94 2wdr n PHE 40 Cb 0.66 -2.63 0.33 0.00 0.35 0.00 0.00 39.48 38.19 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 4.17 -0.06 -0.01 -7.13 -0.02 -1.26 0.34 135.00 131.03 2wdr n PRO 41 Ca 0.17 1.19 0.04 0.00 -2.02 0.00 0.00 63.50 62.89 2wdr n PRO 41 Cb 0.32 -1.99 0.23 0.00 -0.02 0.00 0.00 33.50 32.04 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 -5.06 0.03 0.91 3.45 -2.24 -1.26 -2.67 114.28 107.44 2wdr n THR 42 Ca 0.24 -0.04 0.11 0.00 -2.27 0.00 0.00 64.05 62.09 2wdr n THR 42 Cb 0.79 -0.08 0.08 0.00 -2.10 0.00 0.00 70.33 69.02 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 -0.52 1.94 -0.82 -0.78 5.12 0.15 -4.80 116.66 116.94 2wdr n ARG 43 Ca 0.06 -1.70 -0.32 0.00 -1.93 0.00 0.00 57.85 53.97 2wdr n ARG 43 Cb 0.05 -1.42 0.14 0.00 -1.16 0.00 0.00 32.46 30.08 2wdr n ARG 43 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2wdr n SER 44 N 1.08 -0.20 0.26 0.55 7.64 -1.09 -4.87 113.62 116.98 2wdr n SER 44 Ca 0.12 0.44 0.09 0.00 1.01 0.00 0.00 58.87 60.54 2wdr n SER 44 Cb 0.53 -1.40 0.68 0.00 -1.01 0.00 0.00 64.21 63.01 2wdr n SER 44 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2wdr h HIS 45 N -1.53 0.00 -0.58 1.43 2.76 -1.94 -1.87 115.15 113.41 2wdr h HIS 45 Ca -0.44 0.00 0.17 0.00 -2.20 0.00 0.00 60.37 57.90 2wdr h HIS 45 Cb 1.28 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.22 2wdr h HIS 45 CO 0.46 0.00 0.58 1.15 -1.30 0.00 0.00 177.93 178.82 2wdr h THR 46 N 0.00 0.35 0.00 6.26 2.02 -1.92 0.36 112.91 119.98 2wdr h THR 46 Ca 0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 2wdr h THR 46 Cb 0.03 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2wdr h THR 46 CO -0.00 0.00 -0.13 1.62 0.37 0.00 0.00 175.52 177.38 2wdr h VAL 47 N 0.00 0.86 -0.01 3.16 3.04 -1.50 -2.61 116.25 119.19 2wdr h VAL 47 Ca 0.28 -0.50 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 2wdr h VAL 47 Cb 1.43 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 32.01 2wdr h VAL 47 CO -0.00 0.13 -0.10 -1.20 -1.01 0.00 0.00 177.57 175.38 2wdr n SER 48 N -4.03 0.66 -4.77 3.17 7.64 0.12 -2.28 113.62 114.13 2wdr n SER 48 Ca -0.02 -0.80 -0.40 0.00 1.01 0.00 0.00 58.87 58.66 2wdr n SER 48 Cb 0.22 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.39 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 -2.36 3.33 0.05 -0.43 0.00 -0.98 -4.91 121.76 116.46 2wdr s ALA 49 Ca 0.31 1.26 -0.00 0.00 0.00 0.00 0.00 51.96 53.53 2wdr s ALA 49 Cb 0.20 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 2wdr s ALA 49 CO 0.45 -0.80 -0.00 1.04 0.00 0.00 0.00 175.76 176.45 2wdr n GLN 50 N 0.30 0.01 -0.21 0.00 6.02 -1.26 -0.83 117.38 121.40 2wdr n GLN 50 Ca 0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.89 2wdr n GLN 50 Cb 0.43 -0.28 -0.10 0.00 1.02 0.00 0.00 30.24 31.31 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 -0.01 -0.94 0.00 1.08 0.00 -1.89 -2.89 103.07 98.40 2wdr h GLY 51 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 47.33 48.06 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 -1.34 0.45 3.34 4.60 0.00 -1.26 -4.65 105.19 106.33 2wdr n GLY 52 Ca -0.02 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.62 3.33 -0.11 -0.61 1.01 0.97 -4.26 121.20 118.91 2wdr s ILE 53 Ca 0.00 -0.52 -0.28 0.00 0.00 0.00 0.00 60.65 59.85 2wdr s ILE 53 Cb 0.00 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 2wdr s ILE 53 CO 0.00 0.46 0.93 -0.89 0.00 0.00 0.00 174.94 175.43 2wdr s THR 54 N 1.08 4.84 -0.28 2.92 2.01 -0.56 -0.42 115.64 125.22 2wdr s THR 54 Ca 0.01 1.87 -0.24 0.00 0.31 0.00 0.00 61.69 63.64 2wdr s THR 54 Cb -0.15 -4.24 0.12 0.00 0.01 0.00 0.00 72.50 68.25 2wdr s THR 54 CO -0.01 0.04 1.01 0.54 -0.69 0.00 0.00 174.62 175.51 2wdr s VAL 55 N 1.88 0.00 -1.12 3.82 0.11 -0.72 -4.75 120.40 119.63 2wdr s VAL 55 Ca 0.45 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.31 2wdr s VAL 55 Cb -0.18 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.61 2wdr s VAL 55 CO 0.17 0.00 1.99 0.00 -3.33 0.00 0.00 175.10 173.93 2wdr n ALA 56 N 2.37 3.80 0.07 1.54 0.00 -1.26 -4.53 120.51 122.49 2wdr n ALA 56 Ca -0.13 -3.51 -0.06 0.00 0.00 0.00 0.00 53.44 49.73 2wdr n ALA 56 Cb 0.56 -3.58 -0.11 0.00 0.00 0.00 0.00 19.45 16.32 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 13.08 0.00 -0.21 0.00 3.38 -1.96 -3.44 115.31 126.15 2wdr h LEU 57 Ca 0.44 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 58.07 2wdr h LEU 57 Cb 0.73 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.57 2wdr h LEU 57 CO 1.76 0.95 -0.56 0.61 0.09 0.00 0.00 178.44 181.30 2wdr n GLY 58 N 1.34 -0.34 0.13 0.83 0.00 -1.26 -4.91 105.19 100.99 2wdr n GLY 58 Ca 0.00 0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.88 0.55 0.50 1.61 2.35 -1.92 -3.39 115.58 113.40 2wdr h ASN 59 Ca -0.47 -0.91 -0.26 0.00 -0.55 0.00 0.00 56.30 54.10 2wdr h ASN 59 Cb 1.32 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 39.51 2wdr h ASN 59 CO 0.48 1.68 -1.17 0.74 -1.65 0.00 0.00 177.43 177.52 2wdr h THR 60 N -0.08 1.45 -2.73 2.81 2.02 -1.86 -3.46 112.91 111.06 2wdr h THR 60 Ca -0.30 -2.83 -0.06 0.00 0.77 0.00 0.00 66.41 63.99 2wdr h THR 60 Cb 1.94 2.79 -0.17 0.00 -1.74 0.00 0.00 68.15 70.97 2wdr h THR 60 CO 0.15 0.83 0.03 -1.38 0.37 0.00 0.00 175.52 175.52 2wdr s HIS 61 N -2.85 -0.42 0.22 3.16 -3.43 -1.26 -5.08 115.29 105.62 2wdr s HIS 61 Ca -0.05 0.50 -0.32 0.00 -0.80 0.00 0.00 55.06 54.40 2wdr s HIS 61 Cb 0.07 0.33 -0.14 0.00 -1.43 0.00 0.00 32.58 31.42 2wdr s HIS 61 CO 0.89 -0.63 1.43 -1.91 -2.00 0.00 0.00 174.74 172.52 2wdr n GLU 62 N 0.49 2.02 -2.99 -0.38 2.13 -1.26 -4.38 120.64 116.27 2wdr n GLU 62 Ca -0.18 0.72 -0.11 0.00 0.66 0.00 0.00 57.16 58.25 2wdr n GLU 62 Cb 0.60 -2.40 -0.03 0.00 0.27 0.00 0.00 31.44 29.88 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 2.37 1.14 -3.64 4.31 -0.08 -1.26 -4.98 116.55 114.40 2wdr n ASP 63 Ca 0.13 -1.89 -0.07 0.00 -1.51 0.00 0.00 54.79 51.44 2wdr n ASP 63 Cb 0.31 0.41 -0.07 0.00 2.34 0.00 0.00 41.12 44.10 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 -2.03 -0.91 0.54 1.67 3.84 -1.26 -4.93 114.94 111.85 2wdr s ASN 64 Ca 0.08 1.47 0.24 0.00 0.21 0.00 0.00 52.86 54.86 2wdr s ASN 64 Cb 0.00 1.34 1.40 0.00 -0.55 0.00 0.00 41.25 43.45 2wdr s ASN 64 CO 0.06 -0.24 2.03 4.11 -2.79 0.00 0.00 177.10 180.27 2wdr h TRP 65 N 7.01 0.00 -0.03 0.43 5.08 -1.88 0.17 115.95 126.74 2wdr h TRP 65 Ca -0.31 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.55 2wdr h TRP 65 Cb 1.23 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.37 2wdr h TRP 65 CO 0.07 0.00 -0.51 0.93 -1.28 0.00 0.00 178.44 177.64 2wdr h GLU 66 N 0.00 0.07 -0.67 0.12 5.08 -1.96 -0.11 114.58 117.11 2wdr h GLU 66 Ca 0.19 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2wdr h GLU 66 Cb 0.79 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2wdr h GLU 66 CO -0.00 0.57 0.25 -1.49 -1.00 0.00 0.00 179.01 177.33 2wdr h TRP 67 N 0.06 1.04 -0.43 4.33 6.55 -1.01 -0.10 115.95 126.39 2wdr h TRP 67 Ca -0.00 -0.09 -0.12 0.00 0.95 0.00 0.00 58.89 59.63 2wdr h TRP 67 Cb 0.93 -0.31 -0.01 0.00 -0.86 0.00 0.00 29.16 28.91 2wdr h TRP 67 CO 0.01 0.82 -0.22 1.25 -1.05 0.00 0.00 178.44 179.24 2wdr h HIS 68 N 0.96 1.00 -0.72 0.49 2.76 -1.23 -1.76 115.15 116.65 2wdr h HIS 68 Ca 0.22 -0.24 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 2wdr h HIS 68 Cb 0.24 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 2wdr h HIS 68 CO 0.02 1.01 0.32 1.98 -1.30 0.00 0.00 177.93 179.95 2wdr h MET 69 N 0.76 1.05 -0.05 5.26 1.85 -0.62 -1.87 114.93 121.31 2wdr h MET 69 Ca 0.10 -0.17 0.00 0.00 -0.61 0.00 0.00 59.70 59.02 2wdr h MET 69 Cb 0.77 -0.18 -0.00 0.00 0.43 0.00 0.00 31.60 32.61 2wdr h MET 69 CO 0.06 0.85 0.02 -0.92 -0.40 0.00 0.00 176.91 176.51 2wdr h TYR 70 N 1.01 0.03 -0.97 1.39 3.20 -0.83 -0.95 116.97 119.85 2wdr h TYR 70 Ca 0.24 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.21 2wdr h TYR 70 Cb 0.16 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 2wdr h TYR 70 CO 0.01 0.02 0.62 -0.44 -1.64 0.00 0.00 178.16 176.73 2wdr h ASP 71 N 0.04 0.92 0.15 -2.11 3.32 -0.98 -0.39 116.42 117.36 2wdr h ASP 71 Ca 0.02 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2wdr h ASP 71 Cb 0.01 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2wdr h ASP 71 CO -0.02 0.54 -0.07 0.74 -1.72 0.00 0.00 179.24 178.71 2wdr h THR 72 N 1.01 0.94 -0.65 0.35 2.02 -1.13 0.22 112.91 115.69 2wdr h THR 72 Ca 0.45 -1.12 0.10 0.00 0.77 0.00 0.00 66.41 66.61 2wdr h THR 72 Cb 0.36 1.56 -0.08 0.00 -1.74 0.00 0.00 68.15 68.25 2wdr h THR 72 CO -0.21 0.23 0.25 0.58 0.37 0.00 0.00 175.52 176.75 2wdr h VAL 73 N -0.80 0.75 -0.06 3.16 2.07 -0.85 0.12 116.25 120.64 2wdr h VAL 73 Ca -0.02 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2wdr h VAL 73 Cb 0.54 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2wdr h VAL 73 CO 0.03 0.08 -0.02 0.50 0.02 0.00 0.00 177.57 178.18 2wdr h LYS 74 N 0.43 0.11 -0.44 1.57 3.64 -1.13 -2.87 116.57 117.88 2wdr h LYS 74 Ca 0.33 -0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.79 2wdr h LYS 74 Cb 0.43 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2wdr h LYS 74 CO -0.33 0.46 0.33 0.78 -2.27 0.00 0.00 179.45 178.43 2wdr h GLY 75 N -0.24 0.00 0.56 5.01 0.00 -0.04 0.12 103.07 108.49 2wdr h GLY 75 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2wdr h GLY 75 CO 0.01 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.41 2wdr n SER 76 N -4.34 0.44 -2.60 0.19 3.41 0.34 -4.09 113.62 106.97 2wdr n SER 76 Ca 0.08 -1.16 -0.21 0.00 -0.26 0.00 0.00 58.87 57.33 2wdr n SER 76 Cb 0.53 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.65 -5.72 -0.15 4.04 2.03 0.44 -1.83 116.55 114.71 2wdr n ASP 77 Ca 0.22 -0.08 -0.02 0.00 0.52 0.00 0.00 54.79 55.44 2wdr n ASP 77 Cb 0.18 -4.72 -0.01 0.00 -0.72 0.00 0.00 41.12 35.85 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 -4.08 0.00 -0.11 -0.67 4.01 -1.10 -4.84 117.16 110.38 2wdr n TYR 78 Ca -0.20 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.61 2wdr n TYR 78 Cb 0.66 -0.78 0.16 0.00 -0.31 0.00 0.00 39.34 39.07 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 -2.79 0.87 -2.45 -0.72 -5.35 -1.21 -4.88 119.36 102.83 2wdr n ILE 79 Ca -0.02 -0.94 -0.41 0.00 -0.27 0.00 0.00 62.75 61.12 2wdr n ILE 79 Cb 0.14 0.60 -0.04 0.00 -1.74 0.00 0.00 39.64 38.60 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 -1.01 2.96 -0.18 3.28 0.00 -1.26 -4.46 107.32 106.66 2wdr s GLY 80 Ca 0.25 0.90 -0.29 0.00 0.00 0.00 0.00 44.72 45.58 2wdr s GLY 80 CO 0.17 1.60 1.32 0.99 0.00 0.00 0.00 173.10 177.19 2wdr s ASP 81 N -0.56 6.85 0.34 1.64 1.01 -0.21 -4.72 116.67 121.02 2wdr s ASP 81 Ca 0.47 1.67 0.13 0.00 0.71 0.00 0.00 52.55 55.52 2wdr s ASP 81 Cb -0.32 -2.54 0.60 0.00 1.01 0.00 0.00 42.92 41.68 2wdr s ASP 81 CO 0.40 -0.85 1.74 1.56 0.21 0.00 0.00 175.17 178.23 2wdr h GLN 82 N 8.63 0.00 -0.44 8.23 4.20 -1.51 -2.08 115.11 132.13 2wdr h GLN 82 Ca -0.28 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.35 2wdr h GLN 82 Cb 1.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 2wdr h GLN 82 CO 0.98 0.46 -0.06 0.38 -0.67 0.00 0.00 178.83 179.92 2wdr h ASP 83 N 0.00 0.82 0.00 1.46 2.03 -1.78 0.05 116.42 119.00 2wdr h ASP 83 Ca -0.00 -0.34 -0.17 0.00 -0.73 0.00 0.00 57.03 55.79 2wdr h ASP 83 Cb 0.84 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 39.12 2wdr h ASP 83 CO 0.06 0.96 -0.59 0.00 -1.03 0.00 0.00 179.24 178.64 2wdr h ALA 84 N 0.88 0.62 -0.73 4.15 0.00 -1.88 -1.90 119.26 120.41 2wdr h ALA 84 Ca 0.12 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 2wdr h ALA 84 Cb 0.58 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2wdr h ALA 84 CO 0.03 0.70 0.24 0.82 0.00 0.00 0.00 179.25 181.04 2wdr h ILE 85 N 0.45 1.26 -0.45 0.00 2.04 -1.26 -0.62 117.51 118.93 2wdr h ILE 85 Ca -0.00 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 2wdr h ILE 85 Cb 1.15 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2wdr h ILE 85 CO 0.11 0.34 0.26 -0.08 0.00 0.00 0.00 178.15 178.79 2wdr h GLU 86 N 1.08 0.61 -0.79 2.37 4.81 -0.84 -1.39 114.58 120.43 2wdr h GLU 86 Ca 0.24 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2wdr h GLU 86 Cb 0.28 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 2wdr h GLU 86 CO -0.01 0.47 0.51 -0.92 -0.73 0.00 0.00 179.01 178.33 2wdr h TYR 87 N 0.59 0.97 0.49 0.92 3.20 -0.85 -2.19 116.97 120.09 2wdr h TYR 87 Ca 0.16 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 2wdr h TYR 87 Cb 0.02 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.97 2wdr h TYR 87 CO -0.03 0.58 -0.24 1.98 -1.64 0.00 0.00 178.16 178.81 2wdr h MET 88 N 1.02 -0.64 -0.90 1.82 4.05 -0.67 -1.48 114.93 118.13 2wdr h MET 88 Ca 0.31 0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.78 2wdr h MET 88 Cb -0.04 0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 30.86 2wdr h MET 88 CO -0.09 -0.35 0.60 0.00 0.23 0.00 0.00 176.91 177.29 2wdr h LYS 90 N 1.20 -0.02 -0.10 0.00 1.63 -1.46 -3.27 116.57 114.56 2wdr h LYS 90 Ca 0.34 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.13 2wdr h LYS 90 Cb -0.11 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.52 2wdr h LYS 90 CO -0.08 0.43 0.03 1.15 -3.45 0.00 0.00 179.45 177.53 2wdr h THR 91 N -0.46 1.17 0.00 1.00 2.02 -1.05 -3.39 112.91 112.19 2wdr h THR 91 Ca -0.00 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.66 2wdr h THR 91 Cb 0.45 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2wdr h THR 91 CO 0.00 0.15 0.00 0.61 0.37 0.00 0.00 175.52 176.65 2wdr n GLY 92 N -0.59 0.00 0.40 2.16 0.00 0.13 -1.60 105.19 105.70 2wdr n GLY 92 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.19 -0.52 1.61 0.11 -1.77 0.50 132.00 131.73 2wdr h PRO 93 Ca 0.00 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.15 2wdr h PRO 93 Cb 0.00 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.12 2wdr h PRO 93 CO 0.00 -0.13 0.30 1.49 -0.21 0.00 0.00 178.00 179.45 2wdr h GLU 94 N -0.20 0.58 0.00 1.05 4.81 -1.59 0.01 114.58 119.24 2wdr h GLU 94 Ca 0.19 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2wdr h GLU 94 Cb 0.56 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 2wdr h GLU 94 CO -0.72 0.38 -0.07 0.00 -0.73 0.00 0.00 179.01 177.87 2wdr h ALA 95 N 1.24 1.53 0.10 2.92 0.00 -0.91 -2.08 119.26 122.07 2wdr h ALA 95 Ca 0.21 -0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.71 2wdr h ALA 95 Cb 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2wdr h ALA 95 CO -0.11 0.08 -1.94 -0.89 0.00 0.00 0.00 179.25 176.40 2wdr n ILE 96 N -3.94 1.75 -0.28 0.00 2.08 -0.10 -3.75 119.36 115.12 2wdr n ILE 96 Ca -0.03 -0.69 0.04 0.00 0.56 0.00 0.00 62.75 62.64 2wdr n ILE 96 Cb 0.16 -1.60 0.26 0.00 -0.75 0.00 0.00 39.64 37.70 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 0.87 -1.00 1.39 3.38 -0.85 -0.89 115.31 118.27 2wdr h LEU 97 Ca -0.40 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.75 2wdr h LEU 97 Cb 2.03 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 42.50 2wdr h LEU 97 CO 0.09 0.57 0.61 -0.08 0.09 0.00 0.00 178.44 179.72 2wdr h GLU 98 N 0.99 0.80 -0.37 1.13 4.81 -1.48 -0.64 114.58 119.83 2wdr h GLU 98 Ca 0.37 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.48 2wdr h GLU 98 Cb 0.18 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2wdr h GLU 98 CO -0.13 0.53 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.58 2wdr h LEU 99 N 0.83 0.67 -1.21 1.64 3.38 -1.25 -2.60 115.31 116.76 2wdr h LEU 99 Ca 0.55 -0.33 0.11 0.00 0.09 0.00 0.00 57.88 58.31 2wdr h LEU 99 Cb 0.77 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 2wdr h LEU 99 CO -0.35 0.84 0.58 -0.08 0.09 0.00 0.00 178.44 179.51 2wdr h GLU 100 N 0.49 0.81 0.00 1.13 4.22 -0.91 0.16 114.58 120.48 2wdr h GLU 100 Ca 0.10 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.46 2wdr h GLU 100 Cb 0.51 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2wdr h GLU 100 CO 0.02 0.54 -0.16 0.45 -2.18 0.00 0.00 179.01 177.67 2wdr h HIS 101 N 0.83 0.00 0.00 0.92 3.86 -1.05 -1.46 115.15 118.25 2wdr h HIS 101 Ca 0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.64 2wdr h HIS 101 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2wdr h HIS 101 CO -0.00 0.16 0.00 -1.33 0.86 0.00 0.00 177.93 177.62 2wdr n MET 102 N -3.40 0.17 0.00 2.45 2.81 0.53 -4.90 117.12 114.77 2wdr n MET 102 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2wdr n MET 102 Cb 0.36 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 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 1.40 0.89 3.66 3.03 0.00 -0.55 -4.93 105.19 108.68 2wdr n GLY 103 Ca 0.10 0.00 -0.61 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 1.82 -3.45 0.99 0.00 -1.12 -4.77 117.00 110.46 2wdr n LEU 104 Ca 0.00 1.02 -0.38 0.00 0.00 0.00 0.00 56.01 56.65 2wdr n LEU 104 Cb 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 43.42 42.36 2wdr n LEU 104 CO 0.00 -0.62 2.91 -0.81 0.00 0.00 0.00 177.39 178.87 2wdr n PRO 105 N 5.41 2.99 -1.68 1.96 -0.04 -1.26 -4.70 135.00 137.67 2wdr n PRO 105 Ca 0.32 -2.18 -0.38 0.00 -0.04 0.00 0.00 63.50 61.22 2wdr n PRO 105 Cb 0.06 -2.91 0.06 0.00 -0.04 0.00 0.00 33.50 30.66 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 4.84 1.54 -1.04 0.54 3.72 -1.26 -4.73 117.46 121.06 2wdr n PHE 106 Ca 0.63 0.43 -0.29 0.00 -0.05 0.00 0.00 57.45 58.17 2wdr n PHE 106 Cb 0.28 -2.23 0.19 0.00 -0.94 0.00 0.00 39.48 36.78 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 -1.21 2.25 0.04 4.37 0.01 -0.70 -4.91 113.70 113.55 2wdr s SER 107 Ca 0.77 1.24 0.03 0.00 1.31 0.00 0.00 55.95 59.30 2wdr s SER 107 Cb -0.41 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 2wdr s SER 107 CO 0.45 -3.37 -0.09 -0.13 0.41 0.00 0.00 173.24 170.51 2wdr s ARG 108 N -4.87 0.61 0.76 12.44 1.81 -1.26 -1.77 118.95 126.67 2wdr s ARG 108 Ca 0.66 -0.74 -0.09 0.00 -1.72 0.00 0.00 55.73 53.84 2wdr s ARG 108 Cb -0.20 -0.47 0.08 0.00 -0.45 0.00 0.00 34.95 33.91 2wdr s ARG 108 CO 0.59 0.10 1.09 -0.51 -0.68 0.00 0.00 175.30 175.89 2wdr s LEU 109 N -1.42 2.71 0.32 2.53 1.43 0.12 -4.71 118.68 119.66 2wdr s LEU 109 Ca -0.06 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 2wdr s LEU 109 Cb -0.09 -3.06 0.53 0.00 0.03 0.00 0.00 46.19 43.60 2wdr s LEU 109 CO 0.01 -1.79 1.97 0.44 0.23 0.00 0.00 176.35 177.20 2wdr h ASP 110 N -0.82 0.87 0.57 2.29 5.19 -2.01 -0.96 116.42 121.54 2wdr h ASP 110 Ca -0.45 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 2wdr h ASP 110 Cb 1.31 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.61 2wdr h ASP 110 CO 0.60 0.61 0.00 -0.90 -3.12 0.00 0.00 179.24 176.43 2wdr n ASP 111 N -4.43 0.00 0.00 6.45 5.68 -1.26 -4.90 116.55 118.09 2wdr n ASP 111 Ca 0.09 0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.49 2wdr n ASP 111 Cb 0.07 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 39.70 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 0.85 1.06 3.98 6.12 0.00 -0.37 -5.10 105.19 111.73 2wdr n GLY 112 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.64 3.21 0.10 1.61 0.52 -1.26 -4.79 118.95 117.69 2wdr s ARG 113 Ca 0.00 -0.86 -0.32 0.00 -0.52 0.00 0.00 55.73 54.04 2wdr s ARG 113 Cb 0.00 -2.80 -0.11 0.00 0.52 0.00 0.00 34.95 32.56 2wdr s ARG 113 CO 0.00 0.11 1.83 -0.89 0.02 0.00 0.00 175.30 176.37 2wdr n ILE 114 N -1.65 0.38 -2.00 1.52 5.41 -1.26 -0.70 119.36 121.06 2wdr n ILE 114 Ca -0.02 -0.07 -0.41 0.00 1.00 0.00 0.00 62.75 63.25 2wdr n ILE 114 Cb 0.58 -2.04 -0.02 0.00 -0.71 0.00 0.00 39.64 37.44 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 2.81 2.99 -0.00 1.39 5.04 -0.73 -4.70 117.35 124.15 2wdr s TYR 115 Ca 0.83 1.06 0.06 0.00 -2.44 0.00 0.00 57.07 56.58 2wdr s TYR 115 Cb -0.53 -3.83 -0.02 0.00 0.35 0.00 0.00 41.96 37.94 2wdr s TYR 115 CO 0.39 -2.65 -0.17 -0.65 -1.34 0.00 0.00 175.55 171.13 2wdr s GLN 116 N -0.59 1.37 0.13 4.97 -0.21 -1.26 -2.48 119.66 121.59 2wdr s GLN 116 Ca 0.58 -0.67 0.09 0.00 0.02 0.00 0.00 55.36 55.38 2wdr s GLN 116 Cb -0.42 -1.34 -0.04 0.00 1.00 0.00 0.00 33.01 32.21 2wdr s GLN 116 CO 0.45 0.36 -0.20 -0.98 -2.12 0.00 0.00 175.29 172.81 2wdr s ARG 117 N -0.55 1.21 0.72 2.91 1.70 0.05 -4.81 118.95 120.18 2wdr s ARG 117 Ca 0.06 -1.29 -0.15 0.00 -0.47 0.00 0.00 55.73 53.88 2wdr s ARG 117 Cb -0.07 -1.39 0.03 0.00 -0.57 0.00 0.00 34.95 32.95 2wdr s ARG 117 CO -0.00 0.30 1.21 -2.14 -1.08 0.00 0.00 175.30 173.60 2wdr s PRO 118 N -2.35 2.20 0.27 3.89 0.02 -1.25 -1.82 135.00 135.96 2wdr s PRO 118 Ca 0.11 1.79 -0.19 0.00 0.02 0.00 0.00 61.00 62.73 2wdr s PRO 118 Cb -0.08 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.62 2wdr s PRO 118 CO 0.06 -1.79 0.66 0.12 -0.33 0.00 0.00 177.00 175.71 2wdr s PHE 119 N -1.92 -0.08 0.23 6.54 5.36 -1.26 -4.27 117.98 122.59 2wdr s PHE 119 Ca 0.75 -0.35 -0.31 0.00 -0.96 0.00 0.00 56.93 56.06 2wdr s PHE 119 Cb -0.30 0.59 -0.10 0.00 -0.34 0.00 0.00 43.02 42.87 2wdr s PHE 119 CO 0.44 -1.17 1.52 0.20 -1.46 0.00 0.00 175.22 174.75 2wdr s GLY 120 N -2.94 2.01 -0.35 13.12 0.00 -1.26 -3.73 107.32 114.17 2wdr s GLY 120 Ca 0.13 1.41 -0.00 0.00 0.00 0.00 0.00 44.72 46.26 2wdr s GLY 120 CO 0.07 2.47 0.29 0.61 0.00 0.00 0.00 173.10 176.54 2wdr n GLY 121 N 2.70 0.21 2.73 0.20 0.00 -0.44 -4.19 105.19 106.41 2wdr n GLY 121 Ca 0.09 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.34 0.57 0.14 1.61 -0.21 -1.24 -4.81 119.66 111.38 2wdr s GLN 122 Ca 0.01 -0.23 0.06 0.00 0.02 0.00 0.00 55.36 55.23 2wdr s GLN 122 Cb -0.00 -1.75 -0.04 0.00 1.00 0.00 0.00 33.01 32.22 2wdr s GLN 122 CO 0.22 -0.55 -0.14 -1.54 -2.12 0.00 0.00 175.29 171.16 2wdr s SER 123 N 1.93 2.12 0.23 5.90 1.04 -1.26 -0.01 113.70 123.64 2wdr s SER 123 Ca 0.01 -0.86 -0.02 0.00 0.48 0.00 0.00 55.95 55.56 2wdr s SER 123 Cb -0.16 -0.08 -0.05 0.00 0.10 0.00 0.00 66.02 65.84 2wdr s SER 123 CO -0.07 -0.15 0.44 -0.54 0.98 0.00 0.00 173.24 173.90 2wdr s LYS 124 N -2.88 3.57 -1.24 4.02 1.02 0.48 -4.63 119.74 120.08 2wdr s LYS 124 Ca 0.12 -0.21 -0.06 0.00 0.02 0.00 0.00 55.97 55.84 2wdr s LYS 124 Cb -0.04 -2.78 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 2wdr s LYS 124 CO 0.04 0.35 0.72 0.09 -0.92 0.00 0.00 175.35 175.62 2wdr n ASN 125 N -0.69 -2.76 -3.47 2.83 4.13 -1.26 -0.19 115.26 113.85 2wdr n ASN 125 Ca -0.04 -0.88 -0.14 0.00 1.68 0.00 0.00 54.58 55.20 2wdr n ASN 125 Cb 0.54 -3.92 0.00 0.00 -1.54 0.00 0.00 39.78 34.86 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 -4.14 -2.47 -0.39 3.10 3.72 -1.26 -3.36 117.46 112.67 2wdr n PHE 126 Ca -0.22 0.98 0.00 0.00 -0.05 0.00 0.00 57.45 58.15 2wdr n PHE 126 Cb 0.65 -3.33 0.00 0.00 -0.94 0.00 0.00 39.48 35.86 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 -1.65 0.77 0.00 1.37 0.00 -1.24 -5.06 105.19 99.38 2wdr n GLY 127 Ca -0.18 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.39 0.92 3.76 -0.02 0.00 0.73 -4.97 105.19 103.23 2wdr n GLY 128 Ca 0.00 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 2.31 2.83 0.25 1.61 2.12 -1.23 -4.53 118.70 122.06 2wdr s GLU 129 Ca 0.00 1.64 -0.30 0.00 0.36 0.00 0.00 54.97 56.66 2wdr s GLU 129 Cb 0.00 -1.93 -0.11 0.00 0.26 0.00 0.00 34.13 32.35 2wdr s GLU 129 CO 0.00 -1.27 1.54 -1.14 -0.54 0.00 0.00 175.26 173.85 2wdr s GLN 130 N -3.67 4.19 0.39 4.30 2.00 -1.26 -0.38 119.66 125.23 2wdr s GLN 130 Ca 0.73 2.44 0.08 0.00 -2.00 0.00 0.00 55.36 56.60 2wdr s GLN 130 Cb -0.26 -3.08 -0.03 0.00 0.80 0.00 0.00 33.01 30.44 2wdr s GLN 130 CO 0.37 -0.56 0.31 0.00 -0.50 0.00 0.00 175.29 174.91 2wdr s ALA 131 N 0.28 3.89 -0.40 1.58 0.00 0.98 -4.74 121.76 123.34 2wdr s ALA 131 Ca 0.64 -1.85 0.01 0.00 0.00 0.00 0.00 51.96 50.76 2wdr s ALA 131 Cb -0.45 -0.95 0.14 0.00 0.00 0.00 0.00 23.12 21.86 2wdr s ALA 131 CO 0.42 -0.13 0.22 0.00 0.00 0.00 0.00 175.76 176.28 2wdr s ALA 132 N -2.44 1.59 -0.10 0.00 0.00 -1.26 -4.29 121.76 115.27 2wdr s ALA 132 Ca 0.44 -2.26 0.14 0.00 0.00 0.00 0.00 51.96 50.28 2wdr s ALA 132 Cb -0.03 -1.76 0.23 0.00 0.00 0.00 0.00 23.12 21.56 2wdr s ALA 132 CO 0.26 -2.08 1.12 2.89 0.00 0.00 0.00 175.76 177.95 2wdr n ARG 133 N 3.78 0.94 -3.27 0.00 1.85 -1.17 -4.29 116.66 114.50 2wdr n ARG 133 Ca 0.10 -2.21 -0.44 0.00 -1.00 0.00 0.00 57.85 54.30 2wdr n ARG 133 Cb 0.36 -1.21 -0.07 0.00 -1.05 0.00 0.00 32.46 30.49 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 -2.09 5.06 0.17 8.89 2.01 -0.76 -1.76 115.64 127.16 2wdr s THR 134 Ca 0.24 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 2wdr s THR 134 Cb 0.22 -4.23 -0.07 0.00 0.01 0.00 0.00 72.50 68.42 2wdr s THR 134 CO 0.01 -0.72 1.12 0.00 -0.69 0.00 0.00 174.62 174.34 2wdr s ALA 135 N 2.12 3.38 0.07 7.40 0.00 0.44 -0.77 121.76 134.40 2wdr s ALA 135 Ca 0.09 0.84 -0.08 0.00 0.00 0.00 0.00 51.96 52.81 2wdr s ALA 135 Cb -0.22 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.52 2wdr s ALA 135 CO 0.09 -0.26 0.17 0.00 0.00 0.00 0.00 175.76 175.76 2wdr s ALA 136 N -0.09 -0.21 -0.40 0.00 0.00 -1.04 -0.02 121.76 120.01 2wdr s ALA 136 Ca 0.51 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 2wdr s ALA 136 Cb -0.30 0.41 0.10 0.00 0.00 0.00 0.00 23.12 23.33 2wdr s ALA 136 CO 0.35 -0.45 0.19 0.00 0.00 0.00 0.00 175.76 175.84 2wdr s ALA 137 N -3.47 3.13 0.00 0.00 0.00 -1.26 -1.72 121.76 118.44 2wdr s ALA 137 Ca 0.02 -2.37 0.00 0.00 0.00 0.00 0.00 51.96 49.61 2wdr s ALA 137 Cb 0.03 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.76 2wdr s ALA 137 CO -0.09 -1.70 0.00 0.00 0.00 0.00 0.00 175.76 173.97 2wdr n ALA 138 N 4.66 0.00 -1.71 0.00 0.00 -1.26 -1.37 120.51 120.82 2wdr n ALA 138 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 2wdr n ALA 138 Cb 0.42 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.99 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 0.84 3.74 -0.30 0.00 5.75 -1.20 -4.64 116.55 120.75 2wdr n ASP 139 Ca 0.00 -3.81 0.08 0.00 -0.01 0.00 0.00 54.79 51.05 2wdr n ASP 139 Cb 0.00 -0.52 0.15 0.00 -1.03 0.00 0.00 41.12 39.72 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 -0.94 1.28 -0.12 0.11 1.74 -0.47 -4.31 116.66 113.94 2wdr n ARG 140 Ca 0.37 -2.72 -0.04 0.00 -0.77 0.00 0.00 57.85 54.69 2wdr n ARG 140 Cb 0.89 -1.45 0.03 0.00 -1.02 0.00 0.00 32.46 30.91 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 0.85 0.69 -0.81 0.55 2.02 -1.46 -0.49 112.91 114.25 2wdr h THR 141 Ca -0.01 -0.04 0.14 0.00 0.77 0.00 0.00 66.41 67.28 2wdr h THR 141 Cb 1.04 0.58 -0.09 0.00 -1.74 0.00 0.00 68.15 67.94 2wdr h THR 141 CO 0.00 0.02 0.40 1.23 0.37 0.00 0.00 175.52 177.54 2wdr h GLY 142 N 0.11 1.29 0.99 2.16 0.00 -1.17 0.36 103.07 106.81 2wdr h GLY 142 Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2wdr h GLY 142 CO -0.34 -0.03 0.12 0.84 0.00 0.00 0.00 176.54 177.13 2wdr h HIS 143 N 0.59 0.22 -0.51 5.60 6.17 -0.69 -0.97 115.15 125.56 2wdr h HIS 143 Ca 0.44 0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.50 2wdr h HIS 143 Cb 0.61 -0.08 -0.02 0.00 2.52 0.00 0.00 27.41 30.44 2wdr h HIS 143 CO -0.11 0.14 0.22 0.00 0.71 0.00 0.00 177.93 178.89 2wdr h ALA 144 N 1.07 0.67 0.04 5.26 0.00 -0.19 -2.08 119.26 124.03 2wdr h ALA 144 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wdr h ALA 144 Cb -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2wdr h ALA 144 CO -0.02 0.26 -0.02 1.25 0.00 0.00 0.00 179.25 180.72 2wdr h LEU 145 N 0.69 -0.05 -0.16 0.00 5.85 -0.25 -2.26 115.31 119.13 2wdr h LEU 145 Ca 0.17 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2wdr h LEU 145 Cb 0.17 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2wdr h LEU 145 CO -0.02 0.02 -0.00 0.25 -0.34 0.00 0.00 178.44 178.35 2wdr h LEU 146 N -0.11 0.28 -1.39 2.25 5.85 -1.09 -0.60 115.31 120.49 2wdr h LEU 146 Ca -0.01 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 2wdr h LEU 146 Cb 0.10 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2wdr h LEU 146 CO 0.01 0.52 0.07 0.45 -0.34 0.00 0.00 178.44 179.15 2wdr h HIS 147 N 0.03 0.47 -0.06 1.25 3.86 -1.43 -0.78 115.15 118.50 2wdr h HIS 147 Ca 0.05 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2wdr h HIS 147 Cb 0.38 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 2wdr h HIS 147 CO 0.03 0.43 0.01 1.15 0.86 0.00 0.00 177.93 180.41 2wdr h THR 148 N 0.46 1.22 -0.01 2.45 2.02 -1.09 -1.99 112.91 115.98 2wdr h THR 148 Ca 0.11 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 2wdr h THR 148 Cb 0.20 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2wdr h THR 148 CO -0.00 0.19 -0.16 -0.07 0.37 0.00 0.00 175.52 175.85 2wdr h LEU 149 N -0.15 0.01 -0.12 2.58 3.38 -0.58 -0.17 115.31 120.25 2wdr h LEU 149 Ca 0.02 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2wdr h LEU 149 Cb 0.29 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2wdr h LEU 149 CO 0.00 0.17 -0.08 0.22 0.09 0.00 0.00 178.44 178.84 2wdr h TYR 150 N 0.01 0.32 -0.94 1.13 3.20 -1.03 -1.83 116.97 117.83 2wdr h TYR 150 Ca 0.00 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.81 2wdr h TYR 150 Cb 0.29 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 2wdr h TYR 150 CO 0.00 0.64 0.62 1.96 -1.64 0.00 0.00 178.16 179.74 2wdr h GLN 151 N -0.09 1.19 -0.68 1.82 4.20 -0.61 0.30 115.11 121.24 2wdr h GLN 151 Ca 0.02 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 2wdr h GLN 151 Cb 0.57 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2wdr h GLN 151 CO 0.02 0.79 0.30 1.96 -0.67 0.00 0.00 178.83 181.23 2wdr h GLN 152 N 1.23 0.97 -0.26 1.46 1.08 -0.96 0.17 115.11 118.80 2wdr h GLN 152 Ca 0.36 -0.14 -0.14 0.00 -1.45 0.00 0.00 58.65 57.28 2wdr h GLN 152 Cb -0.06 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.18 2wdr h GLN 152 CO -0.10 0.77 -0.40 -0.91 -0.95 0.00 0.00 178.83 177.25 2wdr h ASN 153 N 0.96 0.66 0.50 1.46 2.35 -0.21 -2.16 115.58 119.15 2wdr h ASN 153 Ca 0.23 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2wdr h ASN 153 Cb 0.14 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2wdr h ASN 153 CO -0.03 0.99 -0.24 -0.07 -1.65 0.00 0.00 177.43 176.43 2wdr h LEU 154 N 0.51 -0.57 -1.45 1.61 3.38 0.11 -2.00 115.31 116.90 2wdr h LEU 154 Ca 0.04 -0.04 0.23 0.00 0.09 0.00 0.00 57.88 58.21 2wdr h LEU 154 Cb 0.92 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 2wdr h LEU 154 CO 0.08 -0.32 0.64 0.50 0.09 0.00 0.00 178.44 179.43 2wdr h LYS 155 N -0.81 0.40 -0.39 1.13 3.64 -0.67 -0.57 116.57 119.30 2wdr h LYS 155 Ca -0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2wdr h LYS 155 Cb 0.58 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2wdr h LYS 155 CO 0.11 0.26 0.00 -1.71 -2.27 0.00 0.00 179.45 175.85 2wdr n ASN 156 N -4.55 2.55 -3.54 4.20 2.85 -0.82 -4.94 115.26 111.02 2wdr n ASN 156 Ca 0.22 -1.92 -0.26 0.00 -0.11 0.00 0.00 54.58 52.51 2wdr n ASN 156 Cb 0.78 -0.26 0.03 0.00 1.24 0.00 0.00 39.78 41.57 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 0.89 -2.16 -1.96 1.20 8.25 -0.22 -4.92 115.22 116.30 2wdr n HIS 157 Ca 0.17 0.72 -0.40 0.00 -0.26 0.00 0.00 57.72 57.94 2wdr n HIS 157 Cb 0.43 -3.93 -0.01 0.00 1.12 0.00 0.00 29.99 27.60 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 -3.18 2.40 -0.45 1.59 2.01 -0.81 -4.95 115.64 112.25 2wdr s THR 158 Ca 0.51 0.39 -0.29 0.00 0.31 0.00 0.00 61.69 62.61 2wdr s THR 158 Cb -0.25 -3.24 0.01 0.00 0.01 0.00 0.00 72.50 69.03 2wdr s THR 158 CO 0.63 0.08 1.37 -0.89 -0.69 0.00 0.00 174.62 175.12 2wdr s THR 159 N -1.16 3.93 -0.23 -0.82 2.01 -1.26 -4.94 115.64 113.17 2wdr s THR 159 Ca 0.53 0.92 -0.03 0.00 0.31 0.00 0.00 61.69 63.43 2wdr s THR 159 Cb -0.42 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 67.78 2wdr s THR 159 CO 0.56 -0.88 -0.06 -0.63 -0.69 0.00 0.00 174.62 172.92 2wdr s ILE 160 N 5.40 3.05 -0.89 1.82 1.01 -1.26 -0.77 121.20 129.56 2wdr s ILE 160 Ca 0.57 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 60.29 2wdr s ILE 160 Cb -0.12 -2.45 0.17 0.00 0.01 0.00 0.00 42.46 40.07 2wdr s ILE 160 CO 0.31 0.33 0.98 -0.36 0.00 0.00 0.00 174.94 176.21 2wdr s PHE 161 N 1.40 3.38 0.37 3.97 0.08 0.47 -4.94 117.98 122.70 2wdr s PHE 161 Ca 0.03 -1.63 -0.24 0.00 0.12 0.00 0.00 56.93 55.21 2wdr s PHE 161 Cb -0.15 -4.10 -0.10 0.00 -0.57 0.00 0.00 43.02 38.10 2wdr s PHE 161 CO -0.05 -1.29 0.97 0.45 -0.10 0.00 0.00 175.22 175.21 2wdr s SER 162 N 3.04 7.06 -1.29 1.36 0.15 -1.26 -2.57 113.70 120.19 2wdr s SER 162 Ca 0.27 1.85 -0.06 0.00 0.70 0.00 0.00 55.95 58.71 2wdr s SER 162 Cb -0.07 -2.57 -0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2wdr s SER 162 CO -0.09 -0.27 0.62 -0.62 1.20 0.00 0.00 173.24 174.08 2wdr n GLU 163 N 0.05 -3.17 -5.22 5.44 1.02 0.21 -4.91 120.64 114.07 2wdr n GLU 163 Ca 0.04 0.50 -0.32 0.00 -0.02 0.00 0.00 57.16 57.36 2wdr n GLU 163 Cb 0.51 -4.65 -0.16 0.00 -0.02 0.00 0.00 31.44 27.12 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 -3.71 2.49 -0.32 -0.32 0.52 -0.64 -1.95 118.94 115.01 2wdr s TRP 164 Ca 0.15 -0.78 -0.10 0.00 0.02 0.00 0.00 56.10 55.39 2wdr s TRP 164 Cb -0.05 -1.63 -0.00 0.00 -1.15 0.00 0.00 33.47 30.63 2wdr s TRP 164 CO 0.85 -0.25 0.16 -0.47 0.02 0.00 0.00 176.95 177.27 2wdr s TYR 165 N -0.05 3.19 0.09 -1.98 5.04 0.50 -2.94 117.35 121.20 2wdr s TYR 165 Ca -0.07 -0.58 -0.31 0.00 -2.44 0.00 0.00 57.07 53.67 2wdr s TYR 165 Cb -0.15 -2.37 -0.08 0.00 0.35 0.00 0.00 41.96 39.71 2wdr s TYR 165 CO 0.05 -0.47 1.58 0.00 -1.34 0.00 0.00 175.55 175.37 2wdr s ALA 166 N 1.61 3.69 0.00 3.97 0.00 -1.26 0.12 121.76 129.89 2wdr s ALA 166 Ca 0.04 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.21 2wdr s ALA 166 Cb -0.17 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2wdr s ALA 166 CO 0.07 -0.95 0.00 1.28 0.00 0.00 0.00 175.76 176.16 2wdr n LEU 167 N 4.99 0.40 -3.72 0.00 4.77 0.18 -4.92 117.00 118.71 2wdr n LEU 167 Ca 0.15 0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 56.34 2wdr n LEU 167 Cb 0.41 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 41.01 2wdr n LEU 167 CO 0.61 -0.42 0.08 -1.81 -1.33 0.00 0.00 177.39 174.53 2wdr s ASP 168 N -2.83 -0.19 0.74 -1.43 1.01 -1.24 -4.85 116.67 107.88 2wdr s ASP 168 Ca 0.00 -0.10 -0.14 0.00 0.71 0.00 0.00 52.55 53.02 2wdr s ASP 168 Cb 0.00 0.38 0.04 0.00 1.01 0.00 0.00 42.92 44.36 2wdr s ASP 168 CO 0.00 -0.63 1.16 -0.76 0.21 0.00 0.00 175.17 175.15 2wdr s LEU 169 N -2.01 3.25 -0.14 1.23 1.43 -1.26 -2.35 118.68 118.82 2wdr s LEU 169 Ca -0.05 2.20 -0.00 0.00 -1.03 0.00 0.00 54.13 55.24 2wdr s LEU 169 Cb -0.01 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.63 2wdr s LEU 169 CO -0.03 -2.20 -0.13 -0.69 0.23 0.00 0.00 176.35 173.54 2wdr s VAL 170 N -2.24 3.02 -0.10 -1.59 1.01 -0.37 -4.67 120.40 115.45 2wdr s VAL 170 Ca 0.70 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 2wdr s VAL 170 Cb -0.25 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2wdr s VAL 170 CO 0.47 0.52 -0.06 -0.54 0.00 0.00 0.00 175.10 175.49 2wdr s LYS 171 N 0.49 3.13 0.81 2.72 1.02 -1.26 -0.90 119.74 125.74 2wdr s LYS 171 Ca -0.09 -0.54 -0.12 0.00 0.02 0.00 0.00 55.97 55.25 2wdr s LYS 171 Cb -0.16 -2.72 0.08 0.00 -0.52 0.00 0.00 37.83 34.51 2wdr s LYS 171 CO 0.04 0.49 1.17 0.54 -0.92 0.00 0.00 175.35 176.68 2wdr s ASN 172 N -0.34 4.51 0.00 2.83 4.22 0.09 -4.82 114.94 121.43 2wdr s ASN 172 Ca 0.05 0.77 0.05 0.00 -2.14 0.00 0.00 52.86 51.59 2wdr s ASN 172 Cb -0.12 -1.26 0.28 0.00 1.28 0.00 0.00 41.25 41.42 2wdr s ASN 172 CO 0.02 -1.90 0.67 0.00 -2.04 0.00 0.00 177.10 173.86 2wdr n GLN 173 N -3.31 0.38 0.00 3.55 10.64 -1.26 -0.85 117.38 126.53 2wdr n GLN 173 Ca 0.08 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.33 2wdr n GLN 173 Cb 0.61 -1.19 0.05 0.00 -0.86 0.00 0.00 30.24 28.85 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 -0.69 2.14 0.00 2.61 8.00 -1.26 -4.96 116.55 122.39 2wdr n ASP 174 Ca 0.03 -1.57 0.00 0.00 0.71 0.00 0.00 54.79 53.96 2wdr n ASP 174 Cb 0.02 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.98 0.76 3.82 0.44 0.00 -0.03 -5.05 105.19 106.12 2wdr n GLY 175 Ca 0.09 0.00 -0.34 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 -2.82 3.27 -0.31 4.61 0.00 -1.26 -4.80 121.76 120.46 2wdr s ALA 176 Ca 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 51.96 51.96 2wdr s ALA 176 Cb 0.00 -2.92 -0.00 0.00 0.00 0.00 0.00 23.12 20.20 2wdr s ALA 176 CO 0.00 0.27 0.69 0.08 0.00 0.00 0.00 175.76 176.80 2wdr s VAL 177 N -1.85 4.87 -0.36 0.00 1.01 0.42 -0.73 120.40 123.76 2wdr s VAL 177 Ca 0.52 0.95 0.05 0.00 0.00 0.00 0.00 61.98 63.50 2wdr s VAL 177 Cb -0.13 -4.07 0.46 0.00 0.00 0.00 0.00 36.38 32.64 2wdr s VAL 177 CO 0.18 -0.21 1.35 1.33 0.00 0.00 0.00 175.10 177.76 2wdr n VAL 178 N 5.48 2.73 0.00 2.92 0.24 -0.08 -4.23 118.33 125.39 2wdr n VAL 178 Ca 0.01 -3.94 0.00 0.00 -2.04 0.00 0.00 64.34 58.37 2wdr n VAL 178 Cb 0.49 -1.12 0.00 0.00 -1.47 0.00 0.00 33.84 31.74 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 -0.76 0.12 3.49 7.63 0.00 -1.25 -3.02 105.19 111.40 2wdr n GLY 179 Ca 0.47 -2.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.66 4.88 0.02 0.00 -4.23 -0.99 -0.97 115.64 110.68 2wdr s THR 181 Ca 0.03 0.63 -0.04 0.00 -1.18 0.00 0.00 61.69 61.13 2wdr s THR 181 Cb -0.02 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.16 2wdr s THR 181 CO -0.10 0.02 0.06 0.00 -0.54 0.00 0.00 174.62 174.06 2wdr s ALA 182 N -1.72 -0.07 -0.26 3.99 0.00 -0.23 -0.65 121.76 122.82 2wdr s ALA 182 Ca 0.45 -0.44 -0.05 0.00 0.00 0.00 0.00 51.96 51.92 2wdr s ALA 182 Cb -0.12 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.16 2wdr s ALA 182 CO 0.20 -0.22 0.01 -1.17 0.00 0.00 0.00 175.76 174.58 2wdr s LEU 183 N -1.65 3.36 -0.33 0.00 2.96 0.12 -1.16 118.68 121.98 2wdr s LEU 183 Ca -0.12 -0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 52.92 2wdr s LEU 183 Cb -0.06 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 2wdr s LEU 183 CO -0.01 -0.11 1.68 0.00 -1.32 0.00 0.00 176.35 176.59 2wdr h ILE 185 N 6.61 1.25 0.20 0.00 2.04 -1.71 0.35 117.51 126.25 2wdr h ILE 185 Ca -0.32 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 2wdr h ILE 185 Cb 1.15 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2wdr h ILE 185 CO 1.04 0.24 -0.10 -0.08 0.00 0.00 0.00 178.15 179.25 2wdr h GLU 186 N 1.32 -0.26 0.00 2.37 4.81 -1.89 -2.09 114.58 118.84 2wdr h GLU 186 Ca 0.36 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.52 2wdr h GLU 186 Cb -0.15 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2wdr h GLU 186 CO -0.08 -0.01 -1.82 0.25 -0.73 0.00 0.00 179.01 176.62 2wdr n THR 187 N -5.11 0.50 -0.20 0.32 -2.24 -1.18 -1.51 114.28 104.86 2wdr n THR 187 Ca -0.09 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2wdr n THR 187 Cb 0.20 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 1.35 0.90 3.77 3.38 0.00 0.12 -4.52 105.19 110.18 2wdr n GLY 188 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.62 3.72 -0.13 1.61 2.12 -1.24 -4.67 118.70 119.48 2wdr s GLU 189 Ca 0.00 2.37 -0.01 0.00 0.36 0.00 0.00 54.97 57.70 2wdr s GLU 189 Cb 0.00 -2.67 -0.02 0.00 0.26 0.00 0.00 34.13 31.71 2wdr s GLU 189 CO 0.00 -0.77 -0.12 0.08 -0.54 0.00 0.00 175.26 173.91 2wdr s VAL 190 N -1.21 3.15 0.13 3.70 1.01 -1.26 -0.29 120.40 125.63 2wdr s VAL 190 Ca 0.60 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 62.01 2wdr s VAL 190 Cb -0.43 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2wdr s VAL 190 CO 0.55 0.52 -0.11 -0.69 0.00 0.00 0.00 175.10 175.37 2wdr s VAL 191 N 0.38 1.20 -0.36 2.92 1.01 -0.31 -4.45 120.40 120.78 2wdr s VAL 191 Ca -0.10 -1.90 -0.10 0.00 0.00 0.00 0.00 61.98 59.88 2wdr s VAL 191 Cb -0.16 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.56 2wdr s VAL 191 CO 0.05 -0.62 0.18 -0.47 0.00 0.00 0.00 175.10 174.24 2wdr s TYR 192 N -2.84 3.23 -0.32 5.22 5.04 -0.55 -1.07 117.35 126.06 2wdr s TYR 192 Ca 0.13 -0.97 -0.26 0.00 -2.44 0.00 0.00 57.07 53.53 2wdr s TYR 192 Cb -0.01 -2.40 0.01 0.00 0.35 0.00 0.00 41.96 39.91 2wdr s TYR 192 CO 0.01 -0.63 0.90 -0.06 -1.34 0.00 0.00 175.55 174.44 2wdr s PHE 193 N 1.54 3.16 -0.24 4.97 0.08 -0.14 -0.84 117.98 126.51 2wdr s PHE 193 Ca 0.02 0.92 -0.09 0.00 0.12 0.00 0.00 56.93 57.90 2wdr s PHE 193 Cb -0.19 -3.44 -0.04 0.00 -0.57 0.00 0.00 43.02 38.78 2wdr s PHE 193 CO 0.06 -0.68 0.11 0.21 -0.10 0.00 0.00 175.22 174.82 2wdr s LYS 194 N 3.27 3.83 0.02 0.44 2.20 0.72 -1.55 119.74 128.66 2wdr s LYS 194 Ca 0.37 -0.39 -0.03 0.00 -0.36 0.00 0.00 55.97 55.56 2wdr s LYS 194 Cb -0.13 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 2wdr s LYS 194 CO 0.14 -0.08 0.04 0.00 -0.36 0.00 0.00 175.35 175.09 2wdr s ALA 195 N 1.38 0.01 -0.88 3.13 0.00 -1.17 -0.69 121.76 123.53 2wdr s ALA 195 Ca 0.06 -0.52 0.27 0.00 0.00 0.00 0.00 51.96 51.77 2wdr s ALA 195 Cb -0.15 0.17 1.00 0.00 0.00 0.00 0.00 23.12 24.14 2wdr s ALA 195 CO 0.05 -0.22 1.82 0.54 0.00 0.00 0.00 175.76 177.95 2wdr n ARG 196 N 1.27 0.12 -3.32 0.00 1.74 -0.64 -3.85 116.66 111.97 2wdr n ARG 196 Ca -0.22 0.09 -0.08 0.00 -0.77 0.00 0.00 57.85 56.87 2wdr n ARG 196 Cb 0.56 -1.63 -0.07 0.00 -1.02 0.00 0.00 32.46 30.31 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 -3.05 -1.21 -0.37 7.54 0.00 -0.92 -4.46 121.76 119.29 2wdr s ALA 197 Ca 0.12 0.80 -0.15 0.00 0.00 0.00 0.00 51.96 52.73 2wdr s ALA 197 Cb 0.16 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.47 2wdr s ALA 197 CO 0.57 -1.39 0.36 0.99 0.00 0.00 0.00 175.76 176.29 2wdr s THR 198 N 2.57 5.18 -0.40 0.00 2.01 0.51 -1.27 115.64 124.23 2wdr s THR 198 Ca 0.13 -0.21 -0.14 0.00 0.31 0.00 0.00 61.69 61.78 2wdr s THR 198 Cb -0.15 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.50 2wdr s THR 198 CO -0.20 -0.21 0.28 -0.69 -0.69 0.00 0.00 174.62 173.11 2wdr s VAL 199 N 1.96 5.05 -0.04 3.82 1.01 -0.40 -0.83 120.40 130.97 2wdr s VAL 199 Ca 0.10 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 2wdr s VAL 199 Cb -0.17 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 2wdr s VAL 199 CO 0.12 -0.30 1.08 -0.76 0.00 0.00 0.00 175.10 175.24 2wdr s LEU 200 N 1.64 4.30 -0.40 3.92 1.43 0.22 -1.18 118.68 128.61 2wdr s LEU 200 Ca 0.04 1.71 0.10 0.00 -1.03 0.00 0.00 54.13 54.95 2wdr s LEU 200 Cb -0.19 -3.56 0.36 0.00 0.03 0.00 0.00 46.19 42.82 2wdr s LEU 200 CO 0.09 -0.44 0.95 0.00 0.23 0.00 0.00 176.35 177.18 2wdr n ALA 201 N 4.62 1.12 0.43 4.21 0.00 0.10 -1.87 120.51 129.12 2wdr n ALA 201 Ca 0.09 -2.48 0.11 0.00 0.00 0.00 0.00 53.44 51.15 2wdr n ALA 201 Cb 0.48 -1.02 0.17 0.00 0.00 0.00 0.00 19.45 19.09 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 0.18 0.39 -4.18 0.00 -2.24 -1.23 -4.18 114.28 103.02 2wdr n THR 202 Ca 0.14 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2wdr n THR 202 Cb 0.71 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 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 1.34 -1.10 0.66 3.38 0.00 -1.26 -4.81 105.19 103.40 2wdr n GLY 203 Ca 0.17 -1.23 -0.05 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.36 1.82 -0.02 0.00 -1.26 -3.79 105.19 101.59 2wdr n GLY 204 Ca 0.00 -1.80 0.01 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.08 2.72 0.06 4.61 0.00 -1.26 -2.75 120.51 120.81 2wdr n ALA 205 Ca -0.03 -2.03 0.01 0.00 0.00 0.00 0.00 53.44 51.39 2wdr n ALA 205 Cb 0.10 -0.71 0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.03 -0.27 0.20 0.00 0.00 -1.24 -1.97 105.19 101.89 2wdr n GLY 206 Ca -0.02 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.23 1.08 0.00 1.61 5.12 -1.09 -2.94 116.66 119.21 2wdr n ARG 207 Ca 0.01 -0.41 0.10 0.00 -1.93 0.00 0.00 57.85 55.62 2wdr n ARG 207 Cb 0.01 -1.49 0.55 0.00 -1.16 0.00 0.00 32.46 30.37 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 -0.60 0.29 -3.40 0.55 -5.35 -0.83 -4.77 119.36 105.25 2wdr n ILE 208 Ca 0.18 0.07 -0.23 0.00 -0.27 0.00 0.00 62.75 62.51 2wdr n ILE 208 Cb 0.26 -0.72 0.04 0.00 -1.74 0.00 0.00 39.64 37.47 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 -2.48 1.44 -0.12 4.28 2.02 -1.15 -4.17 117.35 117.17 2wdr s TYR 209 Ca 0.22 -0.79 0.17 0.00 -0.37 0.00 0.00 57.07 56.30 2wdr s TYR 209 Cb 0.14 -2.08 -0.22 0.00 -0.40 0.00 0.00 41.96 39.40 2wdr s TYR 209 CO 0.31 -0.90 0.46 0.94 -1.57 0.00 0.00 175.55 174.79 2wdr n GLN 210 N -2.06 0.65 -4.03 -0.62 7.27 -1.25 -4.77 117.38 112.57 2wdr n GLN 210 Ca 0.09 0.10 -0.21 0.00 0.07 0.00 0.00 57.00 57.05 2wdr n GLN 210 Cb 0.63 -1.66 -0.17 0.00 2.41 0.00 0.00 30.24 31.45 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 -5.60 1.16 0.08 1.69 0.15 -1.26 -5.06 113.70 104.85 2wdr s SER 211 Ca -0.07 -0.12 -0.17 0.00 0.70 0.00 0.00 55.95 56.29 2wdr s SER 211 Cb 0.08 -0.45 0.04 0.00 -1.71 0.00 0.00 66.02 63.97 2wdr s SER 211 CO 0.83 -0.10 0.41 0.28 1.20 0.00 0.00 173.24 175.86 2wdr s THR 212 N 1.25 0.06 -0.98 6.45 -1.32 -1.26 -3.41 115.64 116.43 2wdr s THR 212 Ca -0.06 -0.51 0.28 0.00 -1.21 0.00 0.00 61.69 60.19 2wdr s THR 212 Cb -0.14 -1.05 0.20 0.00 -1.51 0.00 0.00 72.50 70.01 2wdr s THR 212 CO -0.02 -0.28 1.83 0.35 -2.21 0.00 0.00 174.62 174.29 2wdr n THR 213 N 0.19 0.03 -2.41 5.08 -2.24 -0.04 -4.56 114.28 110.34 2wdr n THR 213 Ca -0.17 -0.02 -0.35 0.00 -2.27 0.00 0.00 64.05 61.24 2wdr n THR 213 Cb 0.61 -0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 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 -3.09 6.07 0.92 3.42 0.02 -1.26 -4.75 114.94 116.27 2wdr s ASN 214 Ca 0.13 2.05 -0.11 0.00 -1.02 0.00 0.00 52.86 53.92 2wdr s ASN 214 Cb 0.18 -2.57 0.15 0.00 0.02 0.00 0.00 41.25 39.03 2wdr s ASN 214 CO 0.56 -0.98 1.11 0.00 0.02 0.00 0.00 177.10 177.82 2wdr s ALA 215 N -1.87 1.34 0.60 0.60 0.00 -1.26 -4.89 121.76 116.27 2wdr s ALA 215 Ca 0.69 0.37 0.31 0.00 0.00 0.00 0.00 51.96 53.34 2wdr s ALA 215 Cb -0.20 -3.37 1.87 0.00 0.00 0.00 0.00 23.12 21.42 2wdr s ALA 215 CO 0.24 -2.71 2.26 0.45 0.00 0.00 0.00 175.76 176.00 2wdr h HIS 216 N -1.82 0.00 -0.02 0.00 3.86 -2.00 -2.27 115.15 112.90 2wdr h HIS 216 Ca -0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 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 0.48 0.00 0.00 0.44 0.86 0.00 0.00 177.93 179.71 2wdr n ILE 217 N -3.78 0.02 -2.86 2.45 -5.35 -1.26 -4.60 119.36 103.97 2wdr n ILE 217 Ca -0.03 -0.15 -0.44 0.00 -0.27 0.00 0.00 62.75 61.86 2wdr n ILE 217 Cb 0.09 0.08 -0.00 0.00 -1.74 0.00 0.00 39.64 38.06 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 -1.94 6.97 -0.23 7.28 -0.87 -0.86 -4.73 114.94 120.56 2wdr s ASN 218 Ca 0.41 -2.76 0.12 0.00 -1.57 0.00 0.00 52.86 49.06 2wdr s ASN 218 Cb 0.21 -2.44 0.44 0.00 -0.02 0.00 0.00 41.25 39.44 2wdr s ASN 218 CO 0.33 -0.88 1.31 0.35 -2.57 0.00 0.00 177.10 175.65 2wdr n THR 219 N 5.11 2.30 -3.21 1.60 -2.24 -1.23 -2.69 114.28 113.92 2wdr n THR 219 Ca 0.38 -2.87 -0.19 0.00 -2.27 0.00 0.00 64.05 59.09 2wdr n THR 219 Cb 0.44 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.12 -0.48 0.44 3.38 0.00 -1.11 -3.09 105.19 103.20 2wdr n GLY 220 Ca 0.24 0.05 0.25 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.58 0.00 -0.10 1.61 3.32 -1.87 -0.42 116.42 118.39 2wdr h ASP 221 Ca -0.33 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.49 2wdr h ASP 221 Cb 1.22 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.79 2wdr h ASP 221 CO 0.43 0.00 -0.84 1.23 -1.72 0.00 0.00 179.24 178.34 2wdr h GLY 222 N 0.00 0.82 0.96 2.75 0.00 -1.88 -1.68 103.07 104.04 2wdr h GLY 222 Ca 0.35 -1.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 2wdr h GLY 222 CO -0.00 1.11 0.20 -2.08 0.00 0.00 0.00 176.54 175.76 2wdr h VAL 223 N 0.45 1.17 0.00 4.60 2.07 -1.45 -1.11 116.25 121.98 2wdr h VAL 223 Ca -0.08 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2wdr h VAL 223 Cb 1.48 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2wdr h VAL 223 CO 0.17 0.18 -0.00 1.23 0.02 0.00 0.00 177.57 179.17 2wdr h GLY 224 N 0.52 -0.00 1.31 2.17 0.00 -1.42 -0.68 103.07 104.98 2wdr h GLY 224 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.48 2wdr h GLY 224 CO -0.02 -0.00 0.45 -0.33 0.00 0.00 0.00 176.54 176.65 2wdr h MET 225 N -0.11 0.89 -0.05 4.80 2.86 -1.13 -0.20 114.93 121.99 2wdr h MET 225 Ca -0.00 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2wdr h MET 225 Cb 0.11 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 2wdr h MET 225 CO 0.00 0.59 -0.03 0.00 1.06 0.00 0.00 176.91 178.52 2wdr h ALA 226 N 1.58 0.07 -0.28 6.32 0.00 -0.98 -2.59 119.26 123.38 2wdr h ALA 226 Ca 0.25 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2wdr h ALA 226 Cb -0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2wdr h ALA 226 CO -0.06 -0.17 0.07 0.82 0.00 0.00 0.00 179.25 179.92 2wdr h ILE 227 N -0.32 0.89 0.00 0.00 2.04 -0.66 0.73 117.51 120.20 2wdr h ILE 227 Ca 0.01 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2wdr h ILE 227 Cb 0.50 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2wdr h ILE 227 CO 0.01 0.03 -0.03 0.03 0.00 0.00 0.00 178.15 178.20 2wdr h ARG 228 N 0.19 0.00 -0.01 2.37 3.08 -1.08 -0.02 114.38 118.91 2wdr h ARG 228 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2wdr h ARG 228 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2wdr h ARG 228 CO -0.15 0.03 -0.14 0.00 -1.07 0.00 0.00 179.97 178.63 2wdr n ALA 229 N -2.15 2.85 -0.57 0.04 0.00 -0.11 -4.90 120.51 115.67 2wdr n ALA 229 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2wdr n ALA 229 Cb 0.16 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 1.27 0.69 3.67 0.00 0.00 -0.02 -5.05 105.19 105.74 2wdr n GLY 230 Ca 0.15 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 5.27 0.68 1.61 1.01 0.06 -4.77 120.40 122.27 2wdr s VAL 231 Ca 0.00 0.46 -0.17 0.00 0.00 0.00 0.00 61.98 62.27 2wdr s VAL 231 Cb 0.00 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.77 2wdr s VAL 231 CO 0.00 0.29 1.25 -2.16 0.00 0.00 0.00 175.10 174.49 2wdr s PRO 232 N 1.20 2.36 0.24 2.72 0.04 -1.26 -3.75 135.00 136.56 2wdr s PRO 232 Ca 0.14 1.93 0.10 0.00 0.04 0.00 0.00 61.00 63.21 2wdr s PRO 232 Cb -0.14 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2wdr s PRO 232 CO 0.06 -1.71 -0.09 0.14 0.04 0.00 0.00 177.00 175.44 2wdr s VAL 233 N -1.65 3.05 0.03 -0.36 -7.23 -1.17 -4.46 120.40 108.61 2wdr s VAL 233 Ca 0.79 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 59.00 2wdr s VAL 233 Cb -0.34 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 2wdr s VAL 233 CO 0.42 -0.30 -0.11 -1.58 -0.31 0.00 0.00 175.10 173.22 2wdr s GLN 234 N -3.36 0.72 -1.34 4.82 0.74 -0.30 -0.34 119.66 120.60 2wdr s GLN 234 Ca 0.29 -0.64 -0.10 0.00 0.05 0.00 0.00 55.36 54.95 2wdr s GLN 234 Cb -0.07 -0.66 0.08 0.00 1.10 0.00 0.00 33.01 33.46 2wdr s GLN 234 CO 0.17 0.16 0.54 -0.25 -0.55 0.00 0.00 175.29 175.36 2wdr n ASP 235 N 1.99 -3.83 0.00 6.67 8.00 0.26 -2.04 116.55 127.59 2wdr n ASP 235 Ca -0.18 -0.45 0.05 0.00 0.71 0.00 0.00 54.79 54.91 2wdr n ASP 235 Cb 0.55 -3.16 0.23 0.00 -0.02 0.00 0.00 41.12 38.73 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 -3.84 0.08 0.06 -1.24 2.81 -1.26 -2.08 117.12 111.65 2wdr n MET 236 Ca -0.01 0.25 0.12 0.00 -1.81 0.00 0.00 57.70 56.25 2wdr n MET 236 Cb 0.54 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.61 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 -1.37 0.39 -2.42 0.03 0.00 -1.26 -4.52 120.64 111.48 2wdr n GLU 237 Ca 0.04 0.05 -0.38 0.00 0.00 0.00 0.00 57.16 56.87 2wdr n GLU 237 Cb 0.09 -1.69 -0.03 0.00 0.00 0.00 0.00 31.44 29.81 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 -3.25 3.24 -0.16 3.44 -1.94 -0.88 -4.61 119.30 115.14 2wdr s MET 238 Ca 0.03 -0.67 -0.02 0.00 -1.71 0.00 0.00 55.69 53.31 2wdr s MET 238 Cb 0.13 -5.01 -0.02 0.00 2.01 0.00 0.00 34.83 31.94 2wdr s MET 238 CO 0.78 -2.47 -0.07 -1.58 -0.01 0.00 0.00 175.02 171.67 2wdr s TRP 239 N 6.42 2.93 -0.27 -0.03 0.52 -1.26 -2.53 118.94 124.71 2wdr s TRP 239 Ca 0.50 -0.55 -0.20 0.00 0.02 0.00 0.00 56.10 55.88 2wdr s TRP 239 Cb -0.04 -1.94 -0.02 0.00 -1.15 0.00 0.00 33.47 30.32 2wdr s TRP 239 CO -0.01 -0.20 0.59 -1.14 0.02 0.00 0.00 176.95 176.21 2wdr s GLN 240 N 0.57 4.04 -0.39 4.98 0.74 -0.67 -4.78 119.66 124.15 2wdr s GLN 240 Ca -0.05 0.41 -0.16 0.00 0.05 0.00 0.00 55.36 55.62 2wdr s GLN 240 Cb -0.15 -3.67 0.01 0.00 1.10 0.00 0.00 33.01 30.30 2wdr s GLN 240 CO 0.03 -0.43 0.36 -0.06 -0.55 0.00 0.00 175.29 174.63 2wdr s PHE 241 N 2.47 3.20 0.23 1.67 0.08 -1.26 -1.48 117.98 122.90 2wdr s PHE 241 Ca 0.24 -0.31 -0.31 0.00 0.12 0.00 0.00 56.93 56.67 2wdr s PHE 241 Cb -0.15 -2.71 -0.11 0.00 -0.57 0.00 0.00 43.02 39.48 2wdr s PHE 241 CO 0.09 -0.56 1.59 -1.58 -0.10 0.00 0.00 175.22 174.66 2wdr s HIS 242 N 1.94 2.92 0.25 0.36 5.65 0.00 -4.58 115.29 121.83 2wdr s HIS 242 Ca 0.10 0.68 -0.05 0.00 0.25 0.00 0.00 55.06 56.04 2wdr s HIS 242 Cb -0.17 -4.00 0.32 0.00 -1.18 0.00 0.00 32.58 27.54 2wdr s HIS 242 CO 0.12 -3.55 1.89 -1.00 -0.65 0.00 0.00 174.74 171.55 2wdr h PRO 243 N 5.83 1.17 -2.89 2.88 0.13 -1.88 -0.23 132.00 137.01 2wdr h PRO 243 Ca -0.45 -0.07 -0.66 0.00 -0.87 0.00 0.00 66.00 63.95 2wdr h PRO 243 Cb 1.21 -0.26 -0.38 0.00 0.13 0.00 0.00 31.00 31.69 2wdr h PRO 243 CO 0.86 0.77 -0.28 0.25 -0.23 0.00 0.00 178.00 179.37 2wdr n THR 244 N -4.48 2.69 -3.37 1.56 -2.24 -1.26 -2.45 114.28 104.73 2wdr n THR 244 Ca 0.13 -5.16 -0.30 0.00 -2.27 0.00 0.00 64.05 56.45 2wdr n THR 244 Cb 0.11 -2.22 -0.04 0.00 -2.10 0.00 0.00 70.33 66.08 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 -1.35 2.01 0.04 3.38 0.00 -0.94 -2.48 107.32 107.98 2wdr s GLY 245 Ca 0.31 -0.47 -0.30 0.00 0.00 0.00 0.00 44.72 44.25 2wdr s GLY 245 CO -0.08 -0.35 1.42 -0.42 0.00 0.00 0.00 173.10 173.66 2wdr s ILE 246 N -1.98 3.55 0.23 0.90 1.01 -0.01 -0.69 121.20 124.22 2wdr s ILE 246 Ca 0.45 1.00 -0.32 0.00 0.00 0.00 0.00 60.65 61.79 2wdr s ILE 246 Cb -0.11 -3.64 -0.12 0.00 0.01 0.00 0.00 42.46 38.59 2wdr s ILE 246 CO 0.27 0.02 1.65 0.00 0.00 0.00 0.00 174.94 176.88 2wdr n ALA 247 N 5.01 2.44 -1.78 9.38 0.00 0.83 -1.12 120.51 135.27 2wdr n ALA 247 Ca 0.13 0.40 -0.18 0.00 0.00 0.00 0.00 53.44 53.79 2wdr n ALA 247 Cb 0.43 -2.47 -0.05 0.00 0.00 0.00 0.00 19.45 17.36 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 3.24 1.07 0.71 0.00 0.00 -1.12 -4.76 105.19 104.33 2wdr n GLY 248 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.30 2.29 0.00 4.61 0.00 -0.66 -5.04 120.51 122.01 2wdr n ALA 249 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2wdr n ALA 249 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 1.42 3.25 3.69 0.00 0.00 -0.28 -4.89 105.19 108.39 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 -2.33 3.18 0.26 1.61 1.01 -1.26 -3.56 120.40 119.31 2wdr s VAL 251 Ca 0.00 0.64 -0.29 0.00 0.00 0.00 0.00 61.98 62.33 2wdr s VAL 251 Cb 0.00 -3.41 -0.09 0.00 0.00 0.00 0.00 36.38 32.87 2wdr s VAL 251 CO 0.00 0.00 1.20 -0.22 0.00 0.00 0.00 175.10 176.08 2wdr s LEU 252 N 2.41 4.48 -0.12 3.92 2.96 -1.26 -0.83 118.68 130.25 2wdr s LEU 252 Ca 0.71 2.38 -0.01 0.00 -0.22 0.00 0.00 54.13 57.00 2wdr s LEU 252 Cb -0.38 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 42.66 2wdr s LEU 252 CO 0.31 -0.34 -0.10 0.68 -1.32 0.00 0.00 176.35 175.58 2wdr s VAL 253 N -0.77 3.38 0.65 1.68 -7.23 -1.04 -4.88 120.40 112.19 2wdr s VAL 253 Ca 0.49 -0.56 -0.18 0.00 -1.81 0.00 0.00 61.98 59.92 2wdr s VAL 253 Cb -0.35 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 2wdr s VAL 253 CO 0.43 0.53 1.15 1.07 -0.31 0.00 0.00 175.10 177.97 2wdr n THR 254 N 3.25 4.24 0.54 5.32 5.66 -1.26 -4.74 114.28 127.29 2wdr n THR 254 Ca -0.18 -0.47 0.07 0.00 -3.05 0.00 0.00 64.05 60.42 2wdr n THR 254 Cb 0.53 -1.33 0.33 0.00 -1.55 0.00 0.00 70.33 68.31 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 -1.71 0.01 0.29 1.09 2.13 -1.26 -1.80 120.64 119.40 2wdr n GLU 255 Ca 0.15 0.23 0.18 0.00 0.66 0.00 0.00 57.16 58.38 2wdr n GLU 255 Cb 0.48 -1.50 0.87 0.00 0.27 0.00 0.00 31.44 31.57 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 2.65 0.00 1.08 8.31 0.00 -1.89 -1.68 103.07 111.54 2wdr h GLY 256 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2wdr h GLY 256 CO 0.00 0.00 0.50 0.00 0.00 0.00 0.00 176.54 177.04 2wdr h ARG 258 N 1.23 0.00 0.00 0.00 3.08 -1.55 -0.40 114.38 116.75 2wdr h ARG 258 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2wdr h ARG 258 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2wdr h ARG 258 CO -0.05 0.60 0.00 0.78 -1.07 0.00 0.00 179.97 180.23 2wdr h GLY 259 N 3.40 0.00 -0.77 0.04 0.00 -1.02 -2.77 103.07 101.94 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 0.09 0.00 -0.51 1.18 0.00 0.00 0.00 176.54 177.29 2wdr n GLU 260 N -2.41 1.05 0.00 4.80 -0.58 -0.43 -3.95 120.64 119.12 2wdr n GLU 260 Ca 0.03 -0.85 0.00 0.00 -0.42 0.00 0.00 57.16 55.92 2wdr n GLU 260 Cb 0.30 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 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 0.61 3.85 0.62 0.00 -1.05 -5.03 105.19 105.61 2wdr n GLY 261 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.93 2.19 0.15 -0.02 0.00 -0.16 -4.98 107.32 103.57 2wdr s GLY 262 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.81 2wdr s GLY 262 CO 0.00 0.30 -0.03 -2.52 0.00 0.00 0.00 173.10 170.85 2wdr s TYR 263 N -2.24 1.16 -0.08 1.90 -0.85 -1.17 -4.35 117.35 111.73 2wdr s TYR 263 Ca 0.56 -0.95 -0.14 0.00 -0.52 0.00 0.00 57.07 56.01 2wdr s TYR 263 Cb -0.10 -0.65 -0.05 0.00 0.38 0.00 0.00 41.96 41.54 2wdr s TYR 263 CO 0.23 -0.15 0.36 -0.51 -1.52 0.00 0.00 175.55 173.95 2wdr s LEU 264 N -3.15 4.37 0.15 -3.49 1.43 -1.26 -1.44 118.68 115.29 2wdr s LEU 264 Ca 0.20 0.75 0.11 0.00 -1.03 0.00 0.00 54.13 54.17 2wdr s LEU 264 Cb 0.05 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 2wdr s LEU 264 CO 0.02 0.22 -0.26 -0.76 0.23 0.00 0.00 176.35 175.79 2wdr s LEU 265 N -0.35 2.35 0.00 1.79 1.43 0.44 -3.59 118.68 120.75 2wdr s LEU 265 Ca 0.21 -0.78 0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2wdr s LEU 265 Cb -0.15 -1.21 0.02 0.00 0.03 0.00 0.00 46.19 44.88 2wdr s LEU 265 CO 0.09 0.16 0.15 -0.46 0.23 0.00 0.00 176.35 176.52 2wdr n ASN 266 N 0.74 0.48 0.33 2.29 0.23 -1.02 -1.72 115.26 116.59 2wdr n ASN 266 Ca -0.17 -1.30 0.21 0.00 -0.53 0.00 0.00 54.58 52.79 2wdr n ASN 266 Cb 0.54 -0.08 1.14 0.00 -2.08 0.00 0.00 39.78 39.30 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 -1.02 0.15 116.57 113.96 2wdr h LYS 267 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2wdr h LYS 267 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 2wdr h LYS 267 CO 0.08 0.00 -0.28 0.72 -2.00 0.00 0.00 179.45 177.96 2wdr n HIS 268 N -3.27 0.00 -0.82 0.07 8.25 -1.26 -4.94 115.22 113.25 2wdr n HIS 268 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2wdr n HIS 268 Cb 0.08 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 1.36 0.53 3.71 -1.41 0.00 0.54 -5.03 105.19 104.88 2wdr n GLY 269 Ca 0.12 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.14 4.51 -0.98 1.61 2.12 -1.26 -4.80 118.70 118.75 2wdr s GLU 270 Ca 0.00 1.20 -0.21 0.00 0.36 0.00 0.00 54.97 56.31 2wdr s GLU 270 Cb 0.00 -3.45 -0.11 0.00 0.26 0.00 0.00 34.13 30.83 2wdr s GLU 270 CO 0.00 0.01 1.94 -2.13 -0.54 0.00 0.00 175.26 174.54 2wdr n ARG 271 N 3.79 1.76 0.00 4.30 0.63 -1.26 -2.44 116.66 123.44 2wdr n ARG 271 Ca 0.03 -2.18 0.03 0.00 -0.92 0.00 0.00 57.85 54.80 2wdr n ARG 271 Cb 0.51 -3.22 0.13 0.00 0.45 0.00 0.00 32.46 30.33 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 9.41 0.00 0.19 -0.14 1.16 -1.24 -2.16 117.46 124.69 2wdr n PHE 272 Ca 0.48 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 56.15 2wdr n PHE 272 Cb 0.42 -0.36 0.20 0.00 -1.61 0.00 0.00 39.48 38.14 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 -1.86 -2.74 114.93 117.16 2wdr h MET 273 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2wdr h MET 273 Cb 0.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 2wdr h MET 273 CO 0.00 0.25 -0.10 0.93 1.06 0.00 0.00 176.91 179.04 2wdr h GLU 274 N 0.00 0.00 0.00 1.72 5.08 -1.66 0.86 114.58 120.59 2wdr h GLU 274 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2wdr h GLU 274 Cb 1.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2wdr h GLU 274 CO 0.03 0.10 -0.15 -0.09 -1.00 0.00 0.00 179.01 177.90 2wdr h ARG 275 N 0.00 0.00 -0.01 2.33 2.43 -1.69 -3.20 114.38 114.24 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 0.31 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2wdr h ARG 275 CO 0.01 0.96 -0.47 1.88 -1.51 0.00 0.00 179.97 180.85 2wdr h TYR 276 N -1.00 0.04 -2.06 2.20 0.05 -1.37 -3.38 116.97 111.44 2wdr h TYR 276 Ca -0.04 -0.01 -0.46 0.00 0.05 0.00 0.00 58.73 58.27 2wdr h TYR 276 Cb 1.00 -0.01 -0.33 0.00 1.01 0.00 0.00 36.73 38.41 2wdr h TYR 276 CO 0.25 0.49 -0.80 0.00 -1.05 0.00 0.00 178.16 177.05 2wdr s ALA 277 N -3.97 0.27 0.23 3.88 0.00 0.28 -4.81 121.76 117.63 2wdr s ALA 277 Ca -0.02 -1.65 -0.08 0.00 0.00 0.00 0.00 51.96 50.21 2wdr s ALA 277 Cb 0.14 -1.90 0.37 0.00 0.00 0.00 0.00 23.12 21.73 2wdr s ALA 277 CO 0.75 -2.08 1.68 -1.35 0.00 0.00 0.00 175.76 174.76 2wdr h PRO 278 N 6.10 0.22 0.00 0.00 0.11 -1.69 0.22 132.00 136.97 2wdr h PRO 278 Ca 0.15 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 2wdr h PRO 278 Cb 0.99 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2wdr h PRO 278 CO 0.25 0.14 -0.00 -0.91 -0.21 0.00 0.00 178.00 177.27 2wdr h ASN 279 N 0.22 -0.00 1.35 -2.05 2.35 -1.84 -3.38 115.58 112.23 2wdr h ASN 279 Ca 0.36 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.09 2wdr h ASN 279 Cb 0.60 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 2wdr h ASN 279 CO -0.49 0.39 -0.14 0.00 -1.65 0.00 0.00 177.43 175.54 2wdr h ALA 280 N -1.22 0.96 -0.78 -0.83 0.00 -1.06 -3.48 119.26 112.85 2wdr h ALA 280 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wdr h ALA 280 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wdr h ALA 280 CO 0.00 0.17 0.00 1.63 0.00 0.00 0.00 179.25 181.05 2wdr n LYS 281 N -3.20 0.00 0.00 0.00 5.02 0.79 -1.14 118.16 119.63 2wdr n LYS 281 Ca 0.02 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.41 2wdr n LYS 281 Cb 0.47 0.00 0.61 0.00 -0.02 0.00 0.00 35.03 36.09 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 5.90 0.00 -0.75 4.39 8.00 -1.26 -2.69 116.55 130.14 2wdr n ASP 282 Ca 0.00 -0.97 0.04 0.00 0.71 0.00 0.00 54.79 54.57 2wdr n ASP 282 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.30 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 -0.90 3.44 -4.56 0.64 4.77 -0.29 -4.94 117.00 115.16 2wdr n LEU 283 Ca 0.15 -3.41 -0.30 0.00 -0.03 0.00 0.00 56.01 52.42 2wdr n LEU 283 Cb 0.07 -0.55 0.25 0.00 -2.33 0.00 0.00 43.42 40.86 2wdr n LEU 283 CO 0.11 0.98 0.59 0.00 -1.33 0.00 0.00 177.39 177.75 2wdr s ALA 284 N -3.04 0.43 0.82 -1.18 0.00 -1.09 -1.33 121.76 116.36 2wdr s ALA 284 Ca 0.40 -0.91 -0.15 0.00 0.00 0.00 0.00 51.96 51.30 2wdr s ALA 284 Cb 0.35 -2.90 -0.00 0.00 0.00 0.00 0.00 23.12 20.57 2wdr s ALA 284 CO 0.02 -3.71 0.51 0.41 0.00 0.00 0.00 175.76 172.99 2wdr n GLY 285 N -0.64 -1.66 0.18 0.00 0.00 -1.26 -4.19 105.19 97.61 2wdr n GLY 285 Ca 0.13 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.87 0.58 -0.93 1.61 3.08 -1.94 -2.23 114.38 113.68 2wdr h ARG 286 Ca -0.45 -0.47 0.13 0.00 0.07 0.00 0.00 59.98 59.27 2wdr h ARG 286 Cb 1.32 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 31.39 2wdr h ARG 286 CO 0.39 1.09 0.59 0.38 -1.07 0.00 0.00 179.97 181.36 2wdr h ASP 287 N 0.21 0.76 0.00 7.04 2.03 -1.91 -0.68 116.42 123.88 2wdr h ASP 287 Ca -0.04 0.04 -0.00 0.00 -0.73 0.00 0.00 57.03 56.31 2wdr h ASP 287 Cb 1.19 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 2wdr h ASP 287 CO 0.11 0.40 -0.00 0.58 -1.03 0.00 0.00 179.24 179.30 2wdr h VAL 288 N 0.81 1.47 -0.73 4.15 2.07 -1.89 -2.42 116.25 119.72 2wdr h VAL 288 Ca 0.46 -1.41 0.04 0.00 0.82 0.00 0.00 66.70 66.61 2wdr h VAL 288 Cb 0.61 2.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.77 2wdr h VAL 288 CO -0.23 0.36 0.48 0.58 0.02 0.00 0.00 177.57 178.79 2wdr h VAL 289 N -0.61 1.09 0.31 2.57 2.07 -1.18 -0.40 116.25 120.10 2wdr h VAL 289 Ca -0.00 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2wdr h VAL 289 Cb 0.60 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2wdr h VAL 289 CO 0.00 0.16 -0.15 0.00 0.02 0.00 0.00 177.57 177.60 2wdr h ALA 290 N 1.58 -0.41 -0.77 1.67 0.00 -1.11 -2.42 119.26 117.80 2wdr h ALA 290 Ca 0.30 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2wdr h ALA 290 Cb 0.10 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2wdr h ALA 290 CO -0.09 -0.72 0.34 0.00 0.00 0.00 0.00 179.25 178.78 2wdr h ARG 291 N -0.43 1.13 -0.06 0.00 3.08 -1.06 -2.19 114.38 114.85 2wdr h ARG 291 Ca -0.04 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 59.85 2wdr h ARG 291 Cb 0.33 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 2wdr h ARG 291 CO 0.07 0.90 -0.16 0.77 -1.07 0.00 0.00 179.97 180.48 2wdr h SER 292 N 1.10 -0.48 -0.48 7.04 0.02 -0.97 0.31 113.55 120.09 2wdr h SER 292 Ca 0.26 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.27 2wdr h SER 292 Cb 0.17 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 2wdr h SER 292 CO -0.03 -0.21 0.25 0.40 -1.14 0.00 0.00 176.83 176.10 2wdr h ILE 293 N -0.23 1.17 -0.06 3.27 2.04 -1.31 -0.23 117.51 122.15 2wdr h ILE 293 Ca 0.07 -0.48 -0.15 0.00 1.00 0.00 0.00 64.86 65.30 2wdr h ILE 293 Cb 0.33 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2wdr h ILE 293 CO -0.20 0.20 -0.61 0.24 0.00 0.00 0.00 178.15 177.78 2wdr h MET 294 N 0.72 0.22 -0.13 2.37 2.86 -0.63 -2.53 114.93 117.79 2wdr h MET 294 Ca 0.18 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 2wdr h MET 294 Cb 0.07 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 2wdr h MET 294 CO -0.02 0.76 -0.14 0.82 1.06 0.00 0.00 176.91 179.38 2wdr h ILE 295 N 0.16 1.35 -1.00 -1.22 2.04 0.25 -0.98 117.51 118.11 2wdr h ILE 295 Ca -0.01 -1.32 0.23 0.00 1.00 0.00 0.00 64.86 64.76 2wdr h ILE 295 Cb 1.12 1.92 -0.10 0.00 -0.74 0.00 0.00 36.82 39.01 2wdr h ILE 295 CO 0.09 0.38 0.62 -0.33 0.00 0.00 0.00 178.15 178.92 2wdr h GLU 296 N -0.05 0.56 -0.02 2.37 4.39 -1.00 -1.21 114.58 119.63 2wdr h GLU 296 Ca 0.02 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 2wdr h GLU 296 Cb 0.68 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2wdr h GLU 296 CO 0.04 0.37 -0.53 0.82 -1.16 0.00 0.00 179.01 178.55 2wdr h ILE 297 N 0.58 1.44 0.00 3.13 2.04 -1.34 -0.35 117.51 123.01 2wdr h ILE 297 Ca 0.59 -2.01 0.00 0.00 1.00 0.00 0.00 64.86 64.44 2wdr h ILE 297 Cb 1.17 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 2wdr h ILE 297 CO -0.36 0.58 0.00 0.54 0.00 0.00 0.00 178.15 178.91 2wdr n ARG 298 N -4.27 0.42 -0.92 2.37 1.74 -0.38 -1.36 116.66 114.25 2wdr n ARG 298 Ca -0.10 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.03 2wdr n ARG 298 Cb 0.63 -1.38 0.10 0.00 -1.02 0.00 0.00 32.46 30.79 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 -0.88 0.71 -1.12 5.56 1.02 -0.91 -4.99 120.64 120.03 2wdr n GLU 299 Ca 0.08 -2.43 -0.04 0.00 -0.02 0.00 0.00 57.16 54.74 2wdr n GLU 299 Cb 0.04 -0.80 -0.02 0.00 -0.02 0.00 0.00 31.44 30.64 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 -0.34 0.58 0.76 0.62 0.00 -0.47 -4.84 105.19 101.50 2wdr n GLY 300 Ca 0.11 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.30 2.01 -1.82 1.61 1.74 -0.18 -4.94 116.66 113.77 2wdr n ARG 301 Ca -0.04 -1.51 -0.31 0.00 -0.77 0.00 0.00 57.85 55.22 2wdr n ARG 301 Cb 0.33 -1.45 0.03 0.00 -1.02 0.00 0.00 32.46 30.35 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 -1.67 1.65 0.35 -0.13 0.00 -0.94 -0.50 107.32 106.09 2wdr s GLY 302 Ca 0.34 -0.13 0.03 0.00 0.00 0.00 0.00 44.72 44.97 2wdr s GLY 302 CO 0.29 0.18 0.52 0.00 0.00 0.00 0.00 173.10 174.09 2wdr s ASP 304 N -4.13 0.65 0.00 0.00 -1.08 -1.26 -1.93 116.67 108.91 2wdr s ASP 304 Ca 0.43 -1.24 0.00 0.00 -0.52 0.00 0.00 52.55 51.23 2wdr s ASP 304 Cb -0.10 0.24 0.00 0.00 -1.46 0.00 0.00 42.92 41.60 2wdr s ASP 304 CO 0.33 -0.69 0.00 0.61 0.52 0.00 0.00 175.17 175.94 2wdr n GLY 305 N -0.19 -0.52 0.02 2.66 0.00 -1.26 -4.94 105.19 100.96 2wdr n GLY 305 Ca -0.04 -0.94 0.03 0.00 0.00 0.00 0.00 46.02 45.07 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 0.02 0.04 1.61 -0.02 -1.26 -2.42 135.00 132.97 2wdr n PRO 306 Ca 0.00 0.47 0.11 0.00 -2.02 0.00 0.00 63.50 62.06 2wdr n PRO 306 Cb 0.00 -1.57 0.05 0.00 -0.02 0.00 0.00 33.50 31.96 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 -1.61 0.38 0.00 6.00 8.01 -1.26 -5.00 117.44 123.96 2wdr n TRP 307 Ca 0.01 0.11 0.00 0.00 -1.31 0.00 0.00 57.50 56.31 2wdr n TRP 307 Cb 0.04 -0.53 0.00 0.00 -2.01 0.00 0.00 31.31 28.81 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 1.34 -0.09 3.71 6.99 0.00 -1.02 -2.80 105.19 113.33 2wdr n GLY 308 Ca 0.02 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.25 2.34 -3.66 1.61 -0.02 -1.26 -4.29 135.00 129.47 2wdr n PRO 309 Ca 0.00 0.83 -0.08 0.00 -2.02 0.00 0.00 63.50 62.23 2wdr n PRO 309 Cb 0.00 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 30.94 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 -0.34 -0.31 0.21 6.00 -3.43 -0.81 -4.87 115.29 111.74 2wdr s HIS 310 Ca 0.63 -0.01 0.06 0.00 -0.80 0.00 0.00 55.06 54.94 2wdr s HIS 310 Cb -0.56 0.63 -0.04 0.00 -1.43 0.00 0.00 32.58 31.18 2wdr s HIS 310 CO 0.53 -0.96 0.19 0.00 -2.00 0.00 0.00 174.74 172.50 2wdr s ALA 311 N -3.66 3.63 -0.15 -1.38 0.00 -0.39 -1.07 121.76 118.74 2wdr s ALA 311 Ca 0.07 -1.30 -0.17 0.00 0.00 0.00 0.00 51.96 50.56 2wdr s ALA 311 Cb -0.03 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 2wdr s ALA 311 CO -0.02 0.37 0.43 0.15 0.00 0.00 0.00 175.76 176.69 2wdr s LYS 312 N -3.52 4.28 -0.34 0.00 -0.14 -0.70 -1.41 119.74 117.91 2wdr s LYS 312 Ca 0.32 0.33 -0.08 0.00 -1.36 0.00 0.00 55.97 55.18 2wdr s LYS 312 Cb -0.09 -3.46 0.03 0.00 -1.68 0.00 0.00 37.83 32.62 2wdr s LYS 312 CO 0.25 0.11 0.14 -1.17 -0.76 0.00 0.00 175.35 173.92 2wdr s LEU 313 N 0.82 4.37 -0.21 3.17 2.96 -0.09 -0.42 118.68 129.28 2wdr s LEU 313 Ca 0.23 -0.96 -0.17 0.00 -0.22 0.00 0.00 54.13 53.01 2wdr s LEU 313 Cb -0.15 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 2wdr s LEU 313 CO 0.08 -0.31 0.46 -0.75 -1.32 0.00 0.00 176.35 174.51 2wdr s LYS 314 N 1.49 4.16 0.00 1.98 2.20 -0.52 -0.55 119.74 128.51 2wdr s LYS 314 Ca 0.01 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 2wdr s LYS 314 Cb -0.19 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 2wdr s LYS 314 CO 0.04 -0.13 0.00 1.28 -0.36 0.00 0.00 175.35 176.19 2wdr n LEU 315 N 4.76 0.00 0.01 5.43 4.77 -1.26 -3.04 117.00 127.66 2wdr n LEU 315 Ca -0.06 -0.01 0.22 0.00 -0.03 0.00 0.00 56.01 56.13 2wdr n LEU 315 Cb 0.51 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.32 2wdr n LEU 315 CO 0.41 0.00 1.20 -2.24 -1.33 0.00 0.00 177.39 175.42 2wdr h ASP 316 N 0.00 0.00 0.31 -1.43 3.04 -1.82 -0.27 116.42 116.25 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 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 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 -4.07 0.00 0.28 4.15 1.44 -1.26 -2.14 115.22 113.61 2wdr n HIS 317 Ca 0.10 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.93 2wdr n HIS 317 Cb 0.67 -0.19 0.17 0.00 0.12 0.00 0.00 29.99 30.76 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 -1.42 -3.50 115.31 116.16 2wdr h LEU 318 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wdr h LEU 318 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 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 1.16 0.13 0.29 0.83 0.00 -0.91 -4.37 105.19 102.32 2wdr n GLY 319 Ca 0.03 -1.45 0.09 0.00 0.00 0.00 0.00 46.02 44.69 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 0.26 -0.03 1.61 3.64 -1.90 -2.17 116.57 117.98 2wdr h LYS 320 Ca 0.00 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2wdr h LYS 320 Cb 0.00 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 2wdr h LYS 320 CO 0.00 0.17 -0.10 1.49 -2.27 0.00 0.00 179.45 178.74 2wdr h GLU 321 N 0.27 -0.15 -0.51 1.90 4.81 -1.99 -0.45 114.58 118.45 2wdr h GLU 321 Ca 0.47 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.59 2wdr h GLU 321 Cb 0.87 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 2wdr h GLU 321 CO -0.56 -0.10 -0.16 0.28 -0.73 0.00 0.00 179.01 177.73 2wdr h VAL 322 N -0.16 1.27 -0.12 0.32 2.07 -1.68 -1.78 116.25 116.16 2wdr h VAL 322 Ca 0.05 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 2wdr h VAL 322 Cb 0.22 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2wdr h VAL 322 CO -0.12 0.46 0.07 -0.07 0.02 0.00 0.00 177.57 177.93 2wdr h LEU 323 N 0.88 0.15 -1.55 2.57 3.38 -1.10 0.27 115.31 119.92 2wdr h LEU 323 Ca 0.12 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2wdr h LEU 323 Cb 0.74 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2wdr h LEU 323 CO 0.06 0.16 -0.23 -0.33 0.09 0.00 0.00 178.44 178.19 2wdr h GLU 324 N 0.12 0.00 0.00 1.13 5.08 -1.04 0.46 114.58 120.33 2wdr h GLU 324 Ca 0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2wdr h GLU 324 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2wdr h GLU 324 CO -0.01 0.23 -0.48 1.03 -1.00 0.00 0.00 179.01 178.79 2wdr h SER 325 N 0.00 0.00 0.93 1.42 0.87 -0.91 -3.35 113.55 112.50 2wdr h SER 325 Ca -0.00 -0.41 -0.06 0.00 -1.23 0.00 0.00 61.79 60.09 2wdr h SER 325 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2wdr h SER 325 CO 0.03 0.98 -1.11 0.03 -0.53 0.00 0.00 176.83 176.23 2wdr h ARG 326 N -1.00 0.00 -0.46 2.24 2.47 -0.54 -3.42 114.38 113.67 2wdr h ARG 326 Ca -0.10 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.33 2wdr h ARG 326 Cb 0.76 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 28.68 2wdr h ARG 326 CO -0.06 0.10 -1.07 1.28 0.56 0.00 0.00 179.97 180.79 2wdr n LEU 327 N -2.77 2.08 0.27 3.04 4.77 0.12 -3.26 117.00 121.26 2wdr n LEU 327 Ca -0.03 -3.26 0.14 0.00 -0.03 0.00 0.00 56.01 52.83 2wdr n LEU 327 Cb 0.65 0.33 0.77 0.00 -2.33 0.00 0.00 43.42 42.84 2wdr n LEU 327 CO 0.41 1.18 1.00 1.55 -1.33 0.00 0.00 177.39 180.20 2wdr h PRO 328 N 2.48 0.00 -0.14 3.23 0.13 -1.62 -2.92 132.00 133.16 2wdr h PRO 328 Ca -0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 2wdr h PRO 328 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 2wdr h PRO 328 CO 0.27 0.09 0.02 0.78 -0.23 0.00 0.00 178.00 178.93 2wdr h GLY 329 N 0.86 0.25 2.00 1.56 0.00 -1.88 -2.76 103.07 103.10 2wdr h GLY 329 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2wdr h GLY 329 CO 0.01 0.16 0.00 0.16 0.00 0.00 0.00 176.54 176.87 2wdr h ILE 330 N 0.01 0.00 0.14 2.60 -0.00 -1.85 -1.93 117.51 116.49 2wdr h ILE 330 Ca 0.04 -0.58 -0.01 0.00 -0.00 0.00 0.00 64.86 64.32 2wdr h ILE 330 Cb 0.30 1.52 0.00 0.00 -0.00 0.00 0.00 36.82 38.64 2wdr h ILE 330 CO 0.00 0.00 -0.07 -0.07 -0.00 0.00 0.00 178.15 178.01 2wdr h LEU 331 N 0.00 -0.16 -0.86 0.16 3.38 -1.34 -0.16 115.31 116.33 2wdr h LEU 331 Ca 0.00 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 2wdr h LEU 331 Cb 0.67 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2wdr h LEU 331 CO 0.00 -0.05 -0.24 -0.33 0.09 0.00 0.00 178.44 177.91 2wdr h GLU 332 N -0.27 0.58 -0.04 1.13 5.08 -1.33 -2.30 114.58 117.44 2wdr h GLU 332 Ca -0.02 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2wdr h GLU 332 Cb 0.21 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2wdr h GLU 332 CO 0.03 0.77 0.01 -0.07 -1.00 0.00 0.00 179.01 178.75 2wdr h LEU 333 N 0.51 0.06 -0.84 1.33 3.38 -1.24 -0.30 115.31 118.21 2wdr h LEU 333 Ca 0.07 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 2wdr h LEU 333 Cb 0.68 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2wdr h LEU 333 CO 0.05 0.30 0.12 -1.28 0.09 0.00 0.00 178.44 177.73 2wdr h SER 334 N -0.18 0.94 -0.46 -0.43 0.87 -1.04 0.60 113.55 113.86 2wdr h SER 334 Ca 0.01 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.30 2wdr h SER 334 Cb 0.27 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 2wdr h SER 334 CO 0.00 0.93 -0.01 0.03 -0.53 0.00 0.00 176.83 177.24 2wdr h ARG 335 N 0.94 0.81 0.02 2.24 3.08 -1.11 -1.96 114.38 118.40 2wdr h ARG 335 Ca 0.19 -0.27 -0.17 0.00 0.07 0.00 0.00 59.98 59.81 2wdr h ARG 335 Cb 0.38 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.37 2wdr h ARG 335 CO 0.01 0.88 -0.68 1.15 -1.07 0.00 0.00 179.97 180.26 2wdr h THR 336 N 0.66 1.42 -0.11 2.04 2.02 -0.64 -2.26 112.91 116.04 2wdr h THR 336 Ca 0.13 -2.15 0.00 0.00 0.77 0.00 0.00 66.41 65.16 2wdr h THR 336 Cb 0.52 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 2wdr h THR 336 CO 0.03 0.63 0.00 0.49 0.37 0.00 0.00 175.52 177.03 2wdr n PHE 337 N -4.17 0.13 0.00 3.16 3.72 0.17 -4.45 117.46 116.02 2wdr n PHE 337 Ca -0.11 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 2wdr n PHE 337 Cb 0.71 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 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 1.05 0.25 -3.92 4.37 0.00 -0.79 -4.83 120.51 116.65 2wdr n ALA 338 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 2wdr n ALA 338 Cb 0.47 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.13 -2.23 -4.48 0.00 8.25 -0.85 -4.96 115.22 110.83 2wdr n HIS 339 Ca 0.00 0.89 -0.24 0.00 -0.26 0.00 0.00 57.72 58.11 2wdr n HIS 339 Cb 0.00 -3.96 -0.17 0.00 1.12 0.00 0.00 29.99 26.99 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 -3.35 1.02 -0.59 1.59 1.01 -0.98 -4.98 120.40 114.13 2wdr s VAL 340 Ca 0.60 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.98 2wdr s VAL 340 Cb -0.30 -0.95 0.10 0.00 0.00 0.00 0.00 36.38 35.22 2wdr s VAL 340 CO 0.84 0.33 0.72 -0.62 0.00 0.00 0.00 175.10 176.36 2wdr s ASP 341 N 0.76 6.19 0.44 3.32 2.15 -1.26 -2.52 116.67 125.74 2wdr s ASP 341 Ca -0.13 -1.33 0.21 0.00 0.43 0.00 0.00 52.55 51.73 2wdr s ASP 341 Cb -0.15 -2.31 1.16 0.00 -0.30 0.00 0.00 42.92 41.32 2wdr s ASP 341 CO 0.03 -1.12 1.61 -0.65 -0.17 0.00 0.00 175.17 174.87 2wdr h PRO 342 N 9.20 0.00 0.00 4.34 0.11 -1.89 0.68 132.00 144.44 2wdr h PRO 342 Ca -0.29 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.75 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 1.09 0.00 -0.32 0.28 -0.21 0.00 0.00 178.00 178.84 2wdr h VAL 343 N 0.00 0.93 0.00 3.15 2.07 -1.93 -3.25 116.25 117.22 2wdr h VAL 343 Ca 0.00 -1.23 -0.18 0.00 0.82 0.00 0.00 66.70 66.11 2wdr h VAL 343 Cb 0.45 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 2wdr h VAL 343 CO 0.00 0.31 -1.46 0.29 0.02 0.00 0.00 177.57 176.74 2wdr n LYS 344 N -3.72 0.35 -4.32 1.57 4.76 0.19 -4.64 118.16 112.35 2wdr n LYS 344 Ca -0.01 0.15 -0.28 0.00 -2.87 0.00 0.00 58.31 55.30 2wdr n LYS 344 Cb 0.42 -1.10 -0.11 0.00 -1.84 0.00 0.00 35.03 32.40 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 1.82 0.63 1.97 2.12 -0.91 -4.83 118.70 117.08 2wdr s GLU 345 Ca -0.22 -1.27 -0.19 0.00 0.36 0.00 0.00 54.97 53.66 2wdr s GLU 345 Cb 0.07 -2.08 -0.02 0.00 0.26 0.00 0.00 34.13 32.35 2wdr s GLU 345 CO 0.29 0.45 1.23 -2.30 -0.54 0.00 0.00 175.26 174.39 2wdr n PRO 346 N 0.46 1.14 -3.23 4.30 -0.02 -1.26 -3.89 135.00 132.50 2wdr n PRO 346 Ca -0.13 0.44 -0.39 0.00 -2.02 0.00 0.00 63.50 61.40 2wdr n PRO 346 Cb 0.54 -2.45 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.40 5.13 -0.37 4.25 1.01 0.29 -4.79 121.20 125.33 2wdr s ILE 347 Ca 0.80 1.09 -0.29 0.00 0.00 0.00 0.00 60.65 62.25 2wdr s ILE 347 Cb -0.39 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.19 2wdr s ILE 347 CO 0.43 0.27 1.48 -2.16 0.00 0.00 0.00 174.94 174.96 2wdr s PRO 348 N 0.90 3.60 0.34 2.79 0.04 -1.26 -0.91 135.00 140.50 2wdr s PRO 348 Ca 0.29 1.13 0.07 0.00 0.04 0.00 0.00 61.00 62.53 2wdr s PRO 348 Cb -0.16 -4.03 -0.07 0.00 0.04 0.00 0.00 34.50 30.28 2wdr s PRO 348 CO 0.12 -1.53 -0.04 0.14 0.04 0.00 0.00 177.00 175.73 2wdr s VAL 349 N 5.51 1.89 -0.25 -0.36 -7.23 -0.50 -0.12 120.40 119.33 2wdr s VAL 349 Ca 0.65 -2.10 -0.26 0.00 -1.81 0.00 0.00 61.98 58.45 2wdr s VAL 349 Cb -0.17 -2.71 0.11 0.00 0.56 0.00 0.00 36.38 34.18 2wdr s VAL 349 CO 0.31 -0.15 0.96 -0.51 -0.31 0.00 0.00 175.10 175.41 2wdr s ILE 350 N -2.83 0.00 0.23 -0.62 2.07 0.14 -1.27 121.20 118.92 2wdr s ILE 350 Ca 0.33 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.27 2wdr s ILE 350 Cb 0.06 -1.00 -0.15 0.00 0.13 0.00 0.00 42.46 41.50 2wdr s ILE 350 CO 0.16 0.00 1.09 -2.65 -1.91 0.00 0.00 174.94 171.63 2wdr n PRO 351 N 2.05 1.27 -3.87 3.50 -0.02 -1.02 -2.21 135.00 134.70 2wdr n PRO 351 Ca -0.13 0.45 -0.12 0.00 -2.02 0.00 0.00 63.50 61.68 2wdr n PRO 351 Cb 0.56 -1.89 -0.14 0.00 -0.02 0.00 0.00 33.50 32.01 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 -0.59 0.01 0.10 3.45 2.01 -0.10 -4.85 115.64 115.66 2wdr s THR 352 Ca 0.66 0.01 -0.34 0.00 0.31 0.00 0.00 61.69 62.33 2wdr s THR 352 Cb -0.77 -0.03 -0.14 0.00 0.01 0.00 0.00 72.50 71.57 2wdr s THR 352 CO 0.56 0.01 1.63 0.00 -0.69 0.00 0.00 174.62 176.13 2wdr n HIS 354 N 4.07 0.00 -3.84 0.00 -0.00 -0.55 -0.86 115.22 114.05 2wdr n HIS 354 Ca 0.18 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.78 2wdr n HIS 354 Cb 0.28 0.29 -0.12 0.00 -0.00 0.00 0.00 29.99 30.44 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 -1.97 -0.11 -0.69 1.57 5.04 -1.04 -4.75 117.35 115.40 2wdr s TYR 355 Ca 0.00 0.26 -0.17 0.00 -2.44 0.00 0.00 57.07 54.72 2wdr s TYR 355 Cb 0.00 0.03 0.14 0.00 0.35 0.00 0.00 41.96 42.48 2wdr s TYR 355 CO 0.00 -0.09 0.74 1.41 -1.34 0.00 0.00 175.55 176.28 2wdr s MET 356 N -0.11 3.25 0.42 4.97 -2.45 -1.26 -1.67 119.30 122.43 2wdr s MET 356 Ca -0.02 -1.72 0.12 0.00 -1.25 0.00 0.00 55.69 52.82 2wdr s MET 356 Cb -0.02 -4.40 0.97 0.00 1.25 0.00 0.00 34.83 32.63 2wdr s MET 356 CO 0.00 -1.48 1.96 0.52 1.05 0.00 0.00 175.02 177.08 2wdr h MET 357 N 8.75 0.47 0.00 4.11 2.86 -1.81 -3.44 114.93 125.86 2wdr h MET 357 Ca -0.14 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 2wdr h MET 357 Cb 1.07 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.63 2wdr h MET 357 CO 1.01 0.31 0.01 0.41 1.06 0.00 0.00 176.91 179.71 2wdr n GLY 358 N -1.50 -1.68 0.00 8.32 0.00 -1.23 -4.70 105.19 104.40 2wdr n GLY 358 Ca 0.11 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 3.57 0.87 3.66 -0.02 0.00 -0.87 -4.34 105.19 108.06 2wdr n GLY 359 Ca 0.01 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.76 3.85 0.15 -0.61 1.01 -0.31 -1.15 121.20 122.38 2wdr s ILE 360 Ca 0.00 1.01 -0.31 0.00 0.00 0.00 0.00 60.65 61.35 2wdr s ILE 360 Cb 0.00 -3.69 -0.11 0.00 0.01 0.00 0.00 42.46 38.68 2wdr s ILE 360 CO 0.00 -0.12 1.80 -2.16 0.00 0.00 0.00 174.94 174.45 2wdr s PRO 361 N 3.94 4.13 0.09 2.79 0.04 -1.25 -0.60 135.00 144.14 2wdr s PRO 361 Ca 0.66 2.60 0.03 0.00 0.04 0.00 0.00 61.00 64.33 2wdr s PRO 361 Cb -0.28 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 2wdr s PRO 361 CO 0.24 -0.82 -0.09 0.95 0.04 0.00 0.00 177.00 177.33 2wdr s THR 362 N 2.27 0.83 0.85 1.26 -4.23 -1.08 0.40 115.64 115.95 2wdr s THR 362 Ca 0.79 -1.67 -0.13 0.00 -1.18 0.00 0.00 61.69 59.50 2wdr s THR 362 Cb -0.47 -1.38 0.12 0.00 1.34 0.00 0.00 72.50 72.11 2wdr s THR 362 CO 0.35 -0.64 1.22 -0.54 -0.54 0.00 0.00 174.62 174.47 2wdr s LYS 363 N -2.99 1.52 0.39 3.99 1.02 -0.90 -4.59 119.74 118.18 2wdr s LYS 363 Ca 0.06 -0.11 0.08 0.00 0.02 0.00 0.00 55.97 56.01 2wdr s LYS 363 Cb -0.01 -1.93 0.83 0.00 -0.52 0.00 0.00 37.83 36.20 2wdr s LYS 363 CO -0.01 -1.85 2.01 0.28 -0.92 0.00 0.00 175.35 174.85 2wdr h VAL 364 N -1.22 1.05 -0.15 3.17 2.07 -1.91 -1.26 116.25 117.99 2wdr h VAL 364 Ca -0.45 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 66.90 2wdr h VAL 364 Cb 1.30 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2wdr h VAL 364 CO 0.56 0.11 0.17 0.71 0.02 0.00 0.00 177.57 179.14 2wdr h THR 365 N 0.62 0.48 0.00 2.57 1.35 -1.93 -3.42 112.91 112.59 2wdr h THR 365 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.09 2wdr h THR 365 Cb 0.15 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 2wdr h THR 365 CO -0.06 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.82 2wdr n GLY 366 N -1.39 0.85 3.69 5.82 0.00 -0.48 -3.75 105.19 109.93 2wdr n GLY 366 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.64 4.16 0.36 1.61 -0.21 -1.26 -0.31 119.66 123.37 2wdr s GLN 367 Ca 0.00 2.49 -0.27 0.00 0.02 0.00 0.00 55.36 57.60 2wdr s GLN 367 Cb 0.00 -3.67 -0.09 0.00 1.00 0.00 0.00 33.01 30.24 2wdr s GLN 367 CO 0.00 -0.82 1.21 0.00 -2.12 0.00 0.00 175.29 173.57 2wdr s ALA 368 N 2.95 3.30 0.07 6.09 0.00 -0.22 -2.12 121.76 131.83 2wdr s ALA 368 Ca 0.79 1.07 0.06 0.00 0.00 0.00 0.00 51.96 53.88 2wdr s ALA 368 Cb -0.43 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 2wdr s ALA 368 CO 0.35 -0.55 -0.07 -0.51 0.00 0.00 0.00 175.76 174.99 2wdr s LEU 369 N -2.14 3.17 0.28 0.00 1.43 0.16 -0.65 118.68 120.92 2wdr s LEU 369 Ca 0.53 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 2wdr s LEU 369 Cb -0.34 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2wdr s LEU 369 CO 0.44 0.21 0.15 0.28 0.23 0.00 0.00 176.35 177.66 2wdr s THR 370 N -1.18 0.29 0.10 5.49 -1.32 0.84 -4.61 115.64 115.25 2wdr s THR 370 Ca 0.21 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.78 2wdr s THR 370 Cb -0.11 -2.53 -0.04 0.00 -1.51 0.00 0.00 72.50 68.31 2wdr s THR 370 CO 0.13 0.00 -0.18 0.68 -2.21 0.00 0.00 174.62 173.04 2wdr s VAL 371 N -3.73 2.84 0.73 5.08 -7.23 -1.26 0.69 120.40 117.52 2wdr s VAL 371 Ca 0.37 -1.44 -0.04 0.00 -1.81 0.00 0.00 61.98 59.07 2wdr s VAL 371 Cb 0.06 -2.28 0.15 0.00 0.56 0.00 0.00 36.38 34.86 2wdr s VAL 371 CO 0.16 0.15 0.99 -0.46 -0.31 0.00 0.00 175.10 175.63 2wdr n ASN 372 N 0.94 0.98 0.30 4.85 0.23 -0.40 -4.89 115.26 117.27 2wdr n ASN 372 Ca -0.16 -1.91 0.19 0.00 -0.53 0.00 0.00 54.58 52.17 2wdr n ASN 372 Cb 0.53 -0.68 1.00 0.00 -2.08 0.00 0.00 39.78 38.55 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 0.18 114.58 113.02 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 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2wdr h GLU 373 CO 0.32 0.00 -0.23 1.63 0.07 0.00 0.00 179.01 180.80 2wdr n LYS 374 N -3.38 0.71 -0.22 1.06 5.02 -1.26 -4.93 118.16 115.16 2wdr n LYS 374 Ca -0.02 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 2wdr n LYS 374 Cb 0.19 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 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 0.88 3.83 0.72 0.00 0.62 -5.04 105.19 107.53 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 -0.62 3.40 0.27 1.61 2.02 -1.26 -4.71 118.70 119.41 2wdr s GLU 376 Ca 0.00 1.01 -0.29 0.00 0.02 0.00 0.00 54.97 55.70 2wdr s GLU 376 Cb 0.00 -2.05 -0.09 0.00 0.10 0.00 0.00 34.13 32.09 2wdr s GLU 376 CO 0.00 -0.73 1.11 -0.51 0.02 0.00 0.00 175.26 175.15 2wdr s ASP 377 N -3.36 7.24 0.02 -0.19 1.11 -1.26 -1.28 116.67 118.95 2wdr s ASP 377 Ca 0.60 2.27 0.03 0.00 0.18 0.00 0.00 52.55 55.62 2wdr s ASP 377 Cb -0.13 -2.62 -0.01 0.00 1.07 0.00 0.00 42.92 41.22 2wdr s ASP 377 CO 0.43 -0.17 -0.09 -0.69 1.18 0.00 0.00 175.17 175.84 2wdr s VAL 378 N -1.02 0.67 0.13 -1.27 1.01 0.22 -4.85 120.40 115.28 2wdr s VAL 378 Ca 0.45 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 2wdr s VAL 378 Cb -0.32 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.38 2wdr s VAL 378 CO 0.41 -0.01 0.94 -0.69 0.00 0.00 0.00 175.10 175.75 2wdr s VAL 379 N -0.62 4.43 -0.45 2.92 1.01 -1.26 -0.11 120.40 126.32 2wdr s VAL 379 Ca -0.01 2.04 -0.29 0.00 0.00 0.00 0.00 61.98 63.72 2wdr s VAL 379 Cb -0.06 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 32.04 2wdr s VAL 379 CO 0.00 0.36 1.14 -0.69 0.00 0.00 0.00 175.10 175.91 2wdr s VAL 380 N -0.24 4.24 0.15 2.92 1.01 0.17 -4.87 120.40 123.78 2wdr s VAL 380 Ca 0.45 1.29 -0.31 0.00 0.00 0.00 0.00 61.98 63.40 2wdr s VAL 380 Cb -0.24 -4.57 -0.11 0.00 0.00 0.00 0.00 36.38 31.47 2wdr s VAL 380 CO 0.30 -0.93 1.75 -2.84 0.00 0.00 0.00 175.10 173.38 2wdr s PRO 381 N 4.37 4.14 0.00 2.72 0.02 -1.26 -2.36 135.00 142.63 2wdr s PRO 381 Ca 0.48 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.06 2wdr s PRO 381 Cb -0.08 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 31.08 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 1.46 3.60 0.52 0.00 -1.26 -0.44 105.19 113.15 2wdr n GLY 382 Ca 0.17 0.00 -0.34 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 3.39 0.05 0.99 2.96 -1.00 -0.37 118.68 124.71 2wdr s LEU 383 Ca 0.00 0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 53.90 2wdr s LEU 383 Cb 0.00 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 2wdr s LEU 383 CO 0.00 0.30 0.02 -0.36 -1.32 0.00 0.00 176.35 174.99 2wdr s PHE 384 N -0.43 0.39 -0.09 5.38 0.08 -0.01 -1.06 117.98 122.24 2wdr s PHE 384 Ca 0.07 -0.85 -0.09 0.00 0.12 0.00 0.00 56.93 56.18 2wdr s PHE 384 Cb -0.12 -0.28 0.02 0.00 -0.57 0.00 0.00 43.02 42.07 2wdr s PHE 384 CO 0.02 -0.38 0.26 0.00 -0.10 0.00 0.00 175.22 175.02 2wdr s ALA 385 N -3.43 -0.65 -0.02 5.36 0.00 0.57 0.72 121.76 124.32 2wdr s ALA 385 Ca 0.02 0.68 -0.07 0.00 0.00 0.00 0.00 51.96 52.59 2wdr s ALA 385 Cb 0.04 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.79 2wdr s ALA 385 CO -0.08 -0.14 0.16 0.14 0.00 0.00 0.00 175.76 175.84 2wdr s VAL 386 N -0.01 0.05 0.00 0.00 -7.23 -0.78 -4.67 120.40 107.76 2wdr s VAL 386 Ca -0.01 -0.44 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 2wdr s VAL 386 Cb -0.02 -0.38 0.00 0.00 0.56 0.00 0.00 36.38 36.54 2wdr s VAL 386 CO 0.01 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 2wdr n GLY 387 N 1.97 -0.93 0.25 2.32 0.00 -1.26 -4.32 105.19 103.22 2wdr n GLY 387 Ca -0.19 -1.51 0.06 0.00 0.00 0.00 0.00 46.02 44.38 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 0.12 0.00 1.61 4.81 -1.92 -0.29 114.58 118.90 2wdr h GLU 388 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2wdr h GLU 388 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2wdr h GLU 388 CO 0.00 0.17 0.00 0.97 -0.73 0.00 0.00 179.01 179.42 2wdr h ILE 389 N 0.11 0.00 -2.87 2.32 6.09 -1.75 -3.43 117.51 117.98 2wdr h ILE 389 Ca 0.03 -0.19 -0.65 0.00 -1.37 0.00 0.00 64.86 62.68 2wdr h ILE 389 Cb 0.16 0.91 -0.06 0.00 0.47 0.00 0.00 36.82 38.30 2wdr h ILE 389 CO 0.01 0.00 -0.51 0.00 -3.07 0.00 0.00 178.15 174.57 2wdr s ALA 390 N -3.49 3.86 -0.35 0.18 0.00 -0.12 -1.16 121.76 120.68 2wdr s ALA 390 Ca 0.01 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2wdr s ALA 390 Cb 0.09 -1.81 0.09 0.00 0.00 0.00 0.00 23.12 21.49 2wdr s ALA 390 CO 0.36 0.73 0.07 0.00 0.00 0.00 0.00 175.76 176.92 2wdr h VAL 392 N 6.55 1.47 -3.29 0.00 2.07 -1.82 -2.86 116.25 118.37 2wdr h VAL 392 Ca -0.09 -1.94 -0.66 0.00 0.82 0.00 0.00 66.70 64.83 2wdr h VAL 392 Cb 1.03 2.58 -0.30 0.00 -1.52 0.00 0.00 31.29 33.09 2wdr h VAL 392 CO 0.56 0.55 -0.79 -0.55 0.02 0.00 0.00 177.57 177.36 2wdr s SER 393 N -6.50 3.74 0.00 0.57 0.15 -1.26 -4.35 113.70 106.05 2wdr s SER 393 Ca -0.14 -0.44 0.24 0.00 0.70 0.00 0.00 55.95 56.31 2wdr s SER 393 Cb 0.03 -1.58 0.29 0.00 -1.71 0.00 0.00 66.02 63.05 2wdr s SER 393 CO 0.78 0.10 1.31 1.33 1.20 0.00 0.00 173.24 177.96 2wdr n VAL 394 N 3.96 0.00 0.08 4.45 0.24 -1.26 -1.04 118.33 124.76 2wdr n VAL 394 Ca -0.19 -0.46 0.01 0.00 -2.04 0.00 0.00 64.34 61.66 2wdr n VAL 394 Cb 0.52 1.36 -0.01 0.00 -1.47 0.00 0.00 33.84 34.24 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 1.15 0.00 0.00 6.34 -0.00 -1.26 -4.90 115.22 116.55 2wdr n HIS 395 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 2wdr n HIS 395 Cb 0.56 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.54 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 1.32 3.38 0.95 -1.41 0.00 -1.26 -1.35 105.19 106.82 2wdr n GLY 396 Ca 0.00 0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 11.47 2.45 -3.42 4.61 0.00 -0.76 -4.86 120.51 129.99 2wdr n ALA 397 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 53.44 52.71 2wdr n ALA 397 Cb 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.79 -0.92 0.37 0.00 2.47 -0.46 -1.20 114.94 113.42 2wdr s ASN 398 Ca 0.29 1.04 -0.22 0.00 0.42 0.00 0.00 52.86 54.39 2wdr s ASN 398 Cb 0.19 1.96 -0.10 0.00 -1.45 0.00 0.00 41.25 41.85 2wdr s ASN 398 CO 0.29 -0.17 0.91 -0.60 -3.72 0.00 0.00 177.10 173.81 2wdr s ARG 399 N 2.74 4.35 0.24 0.43 3.52 -1.24 -3.50 118.95 125.49 2wdr s ARG 399 Ca 0.01 1.15 -0.13 0.00 -0.13 0.00 0.00 55.73 56.62 2wdr s ARG 399 Cb -0.10 -2.49 -0.08 0.00 -1.56 0.00 0.00 34.95 30.72 2wdr s ARG 399 CO -0.18 0.13 0.61 -0.51 -0.81 0.00 0.00 175.30 174.55 2wdr s LEU 400 N -2.65 4.19 0.24 -0.88 1.43 -1.26 -4.74 118.68 115.01 2wdr s LEU 400 Ca 0.55 1.09 -0.31 0.00 -1.03 0.00 0.00 54.13 54.43 2wdr s LEU 400 Cb -0.13 -3.70 -0.13 0.00 0.03 0.00 0.00 46.19 42.25 2wdr s LEU 400 CO 0.18 -0.07 1.39 0.61 0.23 0.00 0.00 176.35 178.70 2wdr n GLY 401 N 0.06 0.73 2.89 -3.19 0.00 -1.26 -1.37 105.19 103.05 2wdr n GLY 401 Ca -0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 2.12 2.79 0.01 -0.02 0.00 -1.26 -4.57 105.19 104.26 2wdr n GLY 402 Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 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 0.14 -0.04 1.61 4.13 -0.47 -1.50 115.26 119.13 2wdr n ASN 403 Ca 0.00 0.37 -0.16 0.00 1.68 0.00 0.00 54.58 56.47 2wdr n ASN 403 Cb 0.00 -0.38 -0.13 0.00 -1.54 0.00 0.00 39.78 37.73 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 0.12 -0.50 6.41 0.87 -1.90 -2.42 113.55 116.14 2wdr h SER 404 Ca 0.00 -0.98 0.03 0.00 -1.23 0.00 0.00 61.79 59.60 2wdr h SER 404 Cb 0.52 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 2wdr h SER 404 CO 0.00 1.11 0.29 -0.07 -0.53 0.00 0.00 176.83 177.62 2wdr h LEU 405 N -0.84 0.46 -0.09 2.23 3.38 -1.88 0.18 115.31 118.75 2wdr h LEU 405 Ca -0.04 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2wdr h LEU 405 Cb 1.17 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 2wdr h LEU 405 CO 0.04 0.32 -0.37 0.25 0.09 0.00 0.00 178.44 178.77 2wdr h LEU 406 N 0.57 -1.15 -0.48 1.67 5.85 -1.65 -2.02 115.31 118.11 2wdr h LEU 406 Ca 0.20 0.15 0.05 0.00 0.84 0.00 0.00 57.88 59.12 2wdr h LEU 406 Cb 0.04 0.47 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 2wdr h LEU 406 CO -0.10 -0.40 -0.34 -0.78 -0.34 0.00 0.00 178.44 176.48 2wdr h ASP 407 N -0.47 -1.21 -0.88 1.25 1.82 -0.85 0.22 116.42 116.30 2wdr h ASP 407 Ca 0.08 0.18 0.11 0.00 -0.39 0.00 0.00 57.03 57.01 2wdr h ASP 407 Cb 0.60 0.52 -0.13 0.00 0.68 0.00 0.00 39.33 41.00 2wdr h ASP 407 CO -0.35 -0.17 -0.48 -0.07 -1.61 0.00 0.00 179.24 176.56 2wdr h LEU 408 N -0.07 -1.75 -0.09 2.28 3.38 -0.12 0.83 115.31 119.78 2wdr h LEU 408 Ca 0.08 0.30 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 2wdr h LEU 408 Cb 0.27 0.82 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2wdr h LEU 408 CO -0.49 -0.28 -0.02 0.58 0.09 0.00 0.00 178.44 178.33 2wdr h VAL 409 N -0.07 1.28 -0.03 1.22 2.07 -0.88 -0.95 116.25 118.89 2wdr h VAL 409 Ca 0.23 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 2wdr h VAL 409 Cb 0.52 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2wdr h VAL 409 CO -0.89 0.26 0.02 0.58 0.02 0.00 0.00 177.57 177.55 2wdr h VAL 410 N -0.15 1.06 0.00 2.57 2.07 0.37 -1.43 116.25 120.74 2wdr h VAL 410 Ca 0.02 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 2wdr h VAL 410 Cb 0.41 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2wdr h VAL 410 CO 0.01 0.05 -0.77 -0.26 0.02 0.00 0.00 177.57 176.62 2wdr h PHE 411 N -0.02 0.00 -0.32 1.57 0.04 -0.95 -0.25 116.94 117.00 2wdr h PHE 411 Ca 0.01 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 2wdr h PHE 411 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2wdr h PHE 411 CO -0.05 0.41 -0.01 0.78 -0.60 0.00 0.00 178.31 178.83 2wdr h GLY 412 N 3.68 0.63 1.00 -1.45 0.00 -1.17 -1.54 103.07 104.22 2wdr h GLY 412 Ca -0.05 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 2wdr h GLY 412 CO 0.04 0.44 -0.21 -0.09 0.00 0.00 0.00 176.54 176.72 2wdr h ARG 413 N 0.38 -0.57 -0.88 4.80 2.43 -1.18 -2.79 114.38 116.57 2wdr h ARG 413 Ca 0.09 0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.43 2wdr h ARG 413 Cb 0.47 0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 30.06 2wdr h ARG 413 CO 0.02 -0.38 0.49 0.00 -1.51 0.00 0.00 179.97 178.59 2wdr h ALA 414 N -0.02 1.33 -0.36 2.80 0.00 -1.02 0.25 119.26 122.25 2wdr h ALA 414 Ca -0.06 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2wdr h ALA 414 Cb 0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2wdr h ALA 414 CO 0.10 0.00 0.20 0.00 0.00 0.00 0.00 179.25 179.55 2wdr h ALA 415 N 1.54 0.46 -0.18 0.00 0.00 -1.09 -0.26 119.26 119.72 2wdr h ALA 415 Ca 0.47 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 2wdr h ALA 415 Cb 0.59 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2wdr h ALA 415 CO -0.33 -0.01 -0.01 0.78 0.00 0.00 0.00 179.25 179.68 2wdr h GLY 416 N 0.46 0.36 0.06 0.00 0.00 -1.12 -2.52 103.07 100.31 2wdr h GLY 416 Ca 0.13 -0.28 0.26 0.00 0.00 0.00 0.00 47.33 47.44 2wdr h GLY 416 CO -0.02 0.25 0.67 1.41 0.00 0.00 0.00 176.54 178.85 2wdr h LEU 417 N 0.08 0.20 -3.10 3.11 3.38 -0.03 -2.04 115.31 116.90 2wdr h LEU 417 Ca 0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2wdr h LEU 417 Cb 0.42 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2wdr h LEU 417 CO 0.01 0.06 0.00 1.41 0.09 0.00 0.00 178.44 180.01 2wdr n HIS 418 N -4.39 0.69 -0.05 1.13 8.25 -0.15 -4.69 115.22 116.01 2wdr n HIS 418 Ca 0.21 -0.73 -0.10 0.00 -0.26 0.00 0.00 57.72 56.85 2wdr n HIS 418 Cb 0.92 -0.19 0.05 0.00 1.12 0.00 0.00 29.99 31.89 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 1.74 0.75 0.15 2.41 5.85 -0.92 -1.49 115.31 123.80 2wdr h LEU 419 Ca 0.00 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 2wdr h LEU 419 Cb 1.13 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.95 2wdr h LEU 419 CO 0.12 1.07 -0.07 1.56 -0.34 0.00 0.00 178.44 180.78 2wdr h GLN 420 N 0.57 -0.20 -0.62 1.25 4.20 -1.83 -0.63 115.11 117.85 2wdr h GLN 420 Ca 0.04 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2wdr h GLN 420 Cb 0.96 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 2wdr h GLN 420 CO 0.09 0.01 0.30 0.93 -0.67 0.00 0.00 178.83 179.48 2wdr h GLU 421 N -0.37 0.88 -0.45 1.46 5.08 -1.89 -1.09 114.58 118.19 2wdr h GLU 421 Ca -0.02 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2wdr h GLU 421 Cb 0.29 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2wdr h GLU 421 CO 0.03 0.69 0.28 0.77 -1.00 0.00 0.00 179.01 179.78 2wdr h SER 422 N 0.88 0.46 -0.18 1.42 0.02 -0.99 0.20 113.55 115.36 2wdr h SER 422 Ca 0.22 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.11 2wdr h SER 422 Cb 0.10 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 2wdr h SER 422 CO -0.03 0.33 -0.12 0.40 -1.14 0.00 0.00 176.83 176.28 2wdr h ILE 423 N 0.56 1.32 -0.69 3.27 2.04 -0.76 -2.13 117.51 121.13 2wdr h ILE 423 Ca 0.17 -1.21 0.07 0.00 1.00 0.00 0.00 64.86 64.89 2wdr h ILE 423 Cb -0.02 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 2wdr h ILE 423 CO -0.07 0.36 0.38 0.00 0.00 0.00 0.00 178.15 178.82 2wdr h ALA 424 N 0.67 0.93 -0.14 1.87 0.00 -1.15 -2.06 119.26 119.38 2wdr h ALA 424 Ca 0.04 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2wdr h ALA 424 Cb 0.62 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2wdr h ALA 424 CO 0.03 0.04 -0.15 1.49 0.00 0.00 0.00 179.25 180.66 2wdr h GLU 425 N 0.68 0.23 0.00 0.00 4.81 -0.36 -2.89 114.58 117.05 2wdr h GLU 425 Ca 0.31 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2wdr h GLU 425 Cb 0.22 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2wdr h GLU 425 CO -0.20 0.38 -0.77 -0.56 -0.73 0.00 0.00 179.01 177.13 2wdr h GLN 426 N 0.22 0.00 -0.29 1.92 3.07 -0.89 -3.50 115.11 115.63 2wdr h GLN 426 Ca 0.04 0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.81 2wdr h GLN 426 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.94 2wdr h GLN 426 CO 0.02 0.00 -0.10 0.41 0.09 0.00 0.00 178.83 179.26 2wdr n GLY 427 N 1.21 -2.46 3.71 0.06 0.00 -0.82 -4.87 105.19 102.02 2wdr n GLY 427 Ca 0.01 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.32 2.13 -2.72 4.61 0.00 -1.26 -4.97 120.51 115.98 2wdr n ALA 428 Ca -0.01 0.40 -0.37 0.00 0.00 0.00 0.00 53.44 53.46 2wdr n ALA 428 Cb 0.06 -2.42 -0.07 0.00 0.00 0.00 0.00 19.45 17.02 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 0.25 4.35 0.72 0.00 1.43 -1.26 -5.07 118.68 119.10 2wdr s LEU 429 Ca 0.70 0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 54.22 2wdr s LEU 429 Cb -0.56 -2.29 0.03 0.00 0.03 0.00 0.00 46.19 43.41 2wdr s LEU 429 CO 0.43 0.27 1.20 -0.60 0.23 0.00 0.00 176.35 177.88 2wdr s ARG 430 N -0.45 2.22 0.65 1.70 3.52 -1.26 -4.95 118.95 120.37 2wdr s ARG 430 Ca 0.17 1.72 -0.17 0.00 -0.13 0.00 0.00 55.73 57.32 2wdr s ARG 430 Cb -0.13 -1.85 -0.01 0.00 -1.56 0.00 0.00 34.95 31.40 2wdr s ARG 430 CO 0.06 -1.76 1.17 -0.51 -0.81 0.00 0.00 175.30 173.44 2wdr s ASP 431 N -2.09 4.94 0.19 -2.12 1.01 -1.26 -4.81 116.67 112.53 2wdr s ASP 431 Ca 0.73 2.25 -0.30 0.00 0.71 0.00 0.00 52.55 55.94 2wdr s ASP 431 Cb -0.28 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 40.99 2wdr s ASP 431 CO 0.45 -1.75 1.02 0.00 0.21 0.00 0.00 175.17 175.09 2wdr s ALA 432 N -1.93 3.33 0.79 5.23 0.00 -1.26 -4.58 121.76 123.33 2wdr s ALA 432 Ca 0.73 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 53.29 2wdr s ALA 432 Cb -0.26 -3.29 0.07 0.00 0.00 0.00 0.00 23.12 19.63 2wdr s ALA 432 CO 0.38 -0.05 1.15 -1.54 0.00 0.00 0.00 175.76 175.70 2wdr s SER 433 N -0.43 4.61 0.40 0.00 1.04 -1.26 -4.92 113.70 113.14 2wdr s SER 433 Ca 0.46 0.75 0.11 0.00 0.48 0.00 0.00 55.95 57.75 2wdr s SER 433 Cb -0.27 -1.29 0.83 0.00 0.10 0.00 0.00 66.02 65.39 2wdr s SER 433 CO 0.33 -1.82 1.92 -0.08 0.98 0.00 0.00 173.24 174.57 2wdr h GLU 434 N -0.96 0.14 0.00 4.02 4.81 -2.00 -1.70 114.58 118.90 2wdr h GLU 434 Ca -0.46 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 2wdr h GLU 434 Cb 1.32 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 2wdr h GLU 434 CO 0.65 0.33 -0.14 0.66 -0.73 0.00 0.00 179.01 179.78 2wdr h SER 435 N 0.14 0.00 -0.53 1.04 4.64 -1.98 -1.68 113.55 115.18 2wdr h SER 435 Ca 0.03 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 2wdr h SER 435 Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 2wdr h SER 435 CO 0.03 0.13 0.23 0.44 -0.87 0.00 0.00 176.83 176.78 2wdr h ASP 436 N 0.00 0.72 -0.12 4.97 3.32 -1.64 -2.10 116.42 121.57 2wdr h ASP 436 Ca -0.00 -0.15 -0.20 0.00 0.02 0.00 0.00 57.03 56.69 2wdr h ASP 436 Cb 1.10 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.47 2wdr h ASP 436 CO 0.02 0.67 -0.68 0.58 -1.72 0.00 0.00 179.24 178.11 2wdr h VAL 437 N 0.71 1.29 -0.44 -1.35 2.07 -1.39 -3.01 116.25 114.13 2wdr h VAL 437 Ca 0.18 -1.90 0.05 0.00 0.82 0.00 0.00 66.70 65.85 2wdr h VAL 437 Cb 0.17 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2wdr h VAL 437 CO -0.02 0.60 0.30 -0.08 0.02 0.00 0.00 177.57 178.39 2wdr h GLU 438 N 0.54 0.38 -0.58 1.57 4.57 -1.21 -1.70 114.58 118.15 2wdr h GLU 438 Ca -0.02 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 2wdr h GLU 438 Cb 1.29 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.77 2wdr h GLU 438 CO 0.14 0.25 0.23 0.00 -1.18 0.00 0.00 179.01 178.45 2wdr h ALA 439 N 1.76 0.76 -0.62 2.92 0.00 -1.24 -2.38 119.26 120.46 2wdr h ALA 439 Ca 0.19 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.07 2wdr h ALA 439 Cb 0.26 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2wdr h ALA 439 CO -0.05 0.37 0.42 0.77 0.00 0.00 0.00 179.25 180.77 2wdr h SER 440 N 0.80 0.19 1.01 0.00 0.02 -1.35 -2.09 113.55 112.14 2wdr h SER 440 Ca 0.19 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2wdr h SER 440 Cb 0.21 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2wdr h SER 440 CO -0.01 0.10 -0.17 0.18 -1.14 0.00 0.00 176.83 175.79 2wdr n LEU 441 N -4.43 0.38 -0.12 5.07 4.77 -0.90 -4.16 117.00 117.61 2wdr n LEU 441 Ca 0.11 0.40 -0.05 0.00 -0.03 0.00 0.00 56.01 56.44 2wdr n LEU 441 Cb 0.54 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 2wdr n LEU 441 CO 0.35 -0.03 0.73 0.44 -1.33 0.00 0.00 177.39 177.55 2wdr h ASP 442 N 0.00 -0.61 -0.69 -1.43 3.32 -1.35 0.21 116.42 115.88 2wdr h ASP 442 Ca 0.00 0.15 0.07 0.00 0.02 0.00 0.00 57.03 57.27 2wdr h ASP 442 Cb 0.59 0.34 -0.06 0.00 0.22 0.00 0.00 39.33 40.42 2wdr h ASP 442 CO 0.00 -0.21 0.37 -0.09 -1.72 0.00 0.00 179.24 177.59 2wdr h ARG 443 N -0.10 0.64 -0.25 3.56 2.43 -1.79 -1.32 114.38 117.55 2wdr h ARG 443 Ca 0.20 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 2wdr h ARG 443 Cb 0.40 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2wdr h ARG 443 CO -0.47 0.42 -0.23 1.25 -1.51 0.00 0.00 179.97 179.43 2wdr h LEU 444 N 0.66 0.64 -1.31 3.80 5.85 -1.60 -3.21 115.31 120.14 2wdr h LEU 444 Ca 0.32 -0.46 0.06 0.00 0.84 0.00 0.00 57.88 58.63 2wdr h LEU 444 Cb 0.26 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2wdr h LEU 444 CO -0.21 0.97 0.50 0.78 -0.34 0.00 0.00 178.44 180.14 2wdr h ASN 445 N 0.32 0.74 0.36 1.25 2.35 0.10 -2.27 115.58 118.44 2wdr h ASN 445 Ca 0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2wdr h ASN 445 Cb 0.78 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 2wdr h ASN 445 CO 0.06 0.49 -0.34 -0.09 -1.65 0.00 0.00 177.43 175.90 2wdr h ARG 446 N 0.85 -0.69 -0.97 0.81 2.43 -1.27 -2.63 114.38 112.91 2wdr h ARG 446 Ca 0.33 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.64 2wdr h ARG 446 Cb 0.20 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.83 2wdr h ARG 446 CO -0.11 -0.46 0.61 -1.49 -1.51 0.00 0.00 179.97 177.01 2wdr h TRP 447 N -0.72 1.12 0.00 2.20 4.06 -1.49 -0.92 115.95 120.20 2wdr h TRP 447 Ca -0.03 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.96 2wdr h TRP 447 Cb 0.64 -0.36 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 2wdr h TRP 447 CO -0.19 0.50 0.00 -0.91 -3.56 0.00 0.00 178.44 174.28 2wdr h ASN 448 N 1.03 0.00 0.00 -3.49 2.35 -1.20 -2.93 115.58 111.33 2wdr h ASN 448 Ca 0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.20 2wdr h ASN 448 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2wdr h ASN 448 CO -0.22 0.00 -1.32 0.59 -1.65 0.00 0.00 177.43 174.82 2wdr n ASN 449 N -2.99 0.96 -4.52 5.81 5.03 -0.44 -4.91 115.26 114.19 2wdr n ASN 449 Ca -0.00 -0.41 -0.43 0.00 0.87 0.00 0.00 54.58 54.61 2wdr n ASN 449 Cb 0.22 1.42 -0.05 0.00 -1.02 0.00 0.00 39.78 40.36 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 6.36 -0.18 6.41 3.84 -0.65 -4.87 114.94 122.54 2wdr s ASN 450 Ca -0.01 -0.30 0.08 0.00 0.21 0.00 0.00 52.86 52.85 2wdr s ASN 450 Cb 0.12 -2.41 -0.17 0.00 -0.55 0.00 0.00 41.25 38.24 2wdr s ASN 450 CO 0.69 -1.10 -0.06 0.54 -2.79 0.00 0.00 177.10 174.39 2wdr n ARG 451 N 7.12 0.99 -0.17 0.43 5.12 -1.26 -2.05 116.66 126.84 2wdr n ARG 451 Ca 0.02 0.05 0.05 0.00 -1.93 0.00 0.00 57.85 56.04 2wdr n ARG 451 Cb 0.48 -1.40 0.14 0.00 -1.16 0.00 0.00 32.46 30.51 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 -2.82 2.86 -3.17 0.55 3.02 -1.26 -4.84 115.26 109.59 2wdr n ASN 452 Ca -0.30 -2.15 0.00 0.00 -0.03 0.00 0.00 54.58 52.10 2wdr n ASN 452 Cb 0.95 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.89 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 0.16 -1.84 3.81 7.41 0.00 -1.26 -5.00 105.19 108.48 2wdr n GLY 453 Ca 0.11 -1.47 -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 -0.60 3.26 -0.26 1.61 2.02 0.83 -4.49 118.70 121.07 2wdr s GLU 454 Ca 0.00 1.11 -0.29 0.00 0.02 0.00 0.00 54.97 55.81 2wdr s GLU 454 Cb 0.00 -2.03 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 2wdr s GLU 454 CO 0.00 -0.85 1.33 0.34 0.02 0.00 0.00 175.26 176.10 2wdr s ASP 455 N -3.12 6.70 0.44 -0.19 2.15 -1.26 -1.09 116.67 120.29 2wdr s ASP 455 Ca 0.61 1.36 0.10 0.00 0.43 0.00 0.00 52.55 55.06 2wdr s ASP 455 Cb -0.15 -2.54 0.96 0.00 -0.30 0.00 0.00 42.92 40.89 2wdr s ASP 455 CO 0.42 -1.03 2.06 1.55 -0.17 0.00 0.00 175.17 178.00 2wdr h PRO 456 N 9.22 0.36 -0.19 4.34 0.13 -1.95 -2.88 132.00 141.03 2wdr h PRO 456 Ca -0.27 -0.03 0.05 0.00 -0.87 0.00 0.00 66.00 64.88 2wdr h PRO 456 Cb 1.11 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 32.11 2wdr h PRO 456 CO 1.02 0.27 -0.13 0.28 -0.23 0.00 0.00 178.00 179.20 2wdr h VAL 457 N 0.36 0.62 -0.71 1.56 2.07 -1.96 -0.51 116.25 117.69 2wdr h VAL 457 Ca 0.10 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 2wdr h VAL 457 Cb 0.01 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2wdr h VAL 457 CO -0.02 0.00 0.37 0.00 0.02 0.00 0.00 177.57 177.94 2wdr h ALA 458 N 1.01 0.91 -0.44 1.67 0.00 -1.94 -2.59 119.26 117.89 2wdr h ALA 458 Ca 0.11 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2wdr h ALA 458 Cb 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2wdr h ALA 458 CO -0.27 0.45 0.28 0.82 0.00 0.00 0.00 179.25 180.53 2wdr h ILE 459 N 0.98 1.08 -0.35 0.00 2.04 -1.24 -0.48 117.51 119.56 2wdr h ILE 459 Ca 0.25 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.92 2wdr h ILE 459 Cb 0.08 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2wdr h ILE 459 CO -0.04 0.10 0.22 -0.09 0.00 0.00 0.00 178.15 178.35 2wdr h ARG 460 N 0.56 0.46 -0.77 2.37 2.43 -0.99 -1.15 114.38 117.29 2wdr h ARG 460 Ca 0.17 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 2wdr h ARG 460 Cb -0.03 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 2wdr h ARG 460 CO -0.05 0.32 0.29 0.87 -1.51 0.00 0.00 179.97 179.88 2wdr h LYS 461 N 0.46 1.16 -0.46 0.20 1.57 -1.21 0.22 116.57 118.52 2wdr h LYS 461 Ca 0.13 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2wdr h LYS 461 Cb -0.04 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 2wdr h LYS 461 CO -0.03 0.95 0.27 0.00 -0.57 0.00 0.00 179.45 180.08 2wdr h ALA 462 N 1.18 0.58 0.62 3.86 0.00 -0.87 -1.79 119.26 122.84 2wdr h ALA 462 Ca 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2wdr h ALA 462 Cb 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wdr h ALA 462 CO -0.02 0.08 -0.38 1.25 0.00 0.00 0.00 179.25 180.18 2wdr h LEU 463 N 0.60 -0.95 -0.16 0.00 6.46 -0.42 -1.84 115.31 119.00 2wdr h LEU 463 Ca 0.16 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 58.00 2wdr h LEU 463 Cb 0.01 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 2wdr h LEU 463 CO -0.03 -0.59 0.02 1.56 -0.62 0.00 0.00 178.44 178.77 2wdr h GLN 464 N -0.94 0.07 -0.92 1.25 4.20 -0.92 -1.42 115.11 116.44 2wdr h GLN 464 Ca -0.08 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.71 2wdr h GLN 464 Cb 0.76 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.46 2wdr h GLN 464 CO 0.08 0.05 0.59 1.49 -0.67 0.00 0.00 178.83 180.37 2wdr h GLU 465 N 0.07 0.97 0.51 1.46 4.81 -1.33 -0.87 114.58 120.20 2wdr h GLU 465 Ca 0.07 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2wdr h GLU 465 Cb 0.08 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2wdr h GLU 465 CO -0.11 0.64 -0.26 0.00 -0.73 0.00 0.00 179.01 178.55 2wdr h MET 467 N -0.70 0.51 -0.41 0.00 2.86 -1.04 -1.93 114.93 114.22 2wdr h MET 467 Ca -0.07 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 2wdr h MET 467 Cb 0.54 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 2wdr h MET 467 CO 0.11 0.34 -0.09 0.37 1.06 0.00 0.00 176.91 178.69 2wdr h GLN 468 N 0.52 0.80 0.00 1.72 5.75 -0.82 -0.79 115.11 122.29 2wdr h GLN 468 Ca 0.24 -0.30 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 2wdr h GLN 468 Cb 0.27 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.78 2wdr h GLN 468 CO -0.07 0.92 -0.68 0.45 -2.65 0.00 0.00 178.83 176.81 2wdr h HIS 469 N 0.62 0.00 0.00 3.99 3.86 -1.09 -3.36 115.15 119.17 2wdr h HIS 469 Ca 0.11 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 2wdr h HIS 469 Cb 0.62 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 2wdr h HIS 469 CO 0.05 0.00 -1.19 0.09 0.86 0.00 0.00 177.93 177.74 2wdr n ASN 470 N -2.39 4.14 -1.41 2.45 3.02 -0.75 -4.74 115.26 115.58 2wdr n ASN 470 Ca 0.02 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2wdr n ASN 470 Cb 0.48 1.06 0.10 0.00 -0.61 0.00 0.00 39.78 40.81 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 -1.73 0.62 -0.28 3.10 3.72 -0.31 -4.51 117.46 118.08 2wdr n PHE 471 Ca -0.02 -1.39 0.00 0.00 -0.05 0.00 0.00 57.45 55.99 2wdr n PHE 471 Cb 0.20 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 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 -0.48 0.00 -0.24 4.37 2.88 -1.23 -4.92 113.62 114.00 2wdr n SER 472 Ca 0.18 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.72 2wdr n SER 472 Cb 0.89 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.48 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 0.85 -3.41 2.46 2.07 -1.93 -3.40 116.25 112.90 2wdr h VAL 473 Ca 0.00 -0.20 -0.66 0.00 0.82 0.00 0.00 66.70 66.66 2wdr h VAL 473 Cb 0.00 0.21 -0.24 0.00 -1.52 0.00 0.00 31.29 29.74 2wdr h VAL 473 CO 0.00 0.11 -0.72 -0.36 0.02 0.00 0.00 177.57 176.62 2wdr s PHE 474 N -6.07 2.90 0.07 1.57 0.08 -1.26 -4.22 117.98 111.05 2wdr s PHE 474 Ca -0.13 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.60 2wdr s PHE 474 Cb 0.18 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.74 2wdr s PHE 474 CO 0.76 -0.05 -0.19 1.03 -0.10 0.00 0.00 175.22 176.68 2wdr s ARG 475 N 0.12 1.11 0.12 0.44 0.52 0.25 -4.83 118.95 116.68 2wdr s ARG 475 Ca -0.04 -1.00 0.06 0.00 -0.52 0.00 0.00 55.73 54.23 2wdr s ARG 475 Cb -0.14 -1.26 -0.04 0.00 0.52 0.00 0.00 34.95 34.03 2wdr s ARG 475 CO 0.04 0.30 -0.15 -1.83 0.02 0.00 0.00 175.30 173.68 2wdr s GLU 476 N -1.55 1.04 0.26 3.54 -1.05 -1.26 -1.41 118.70 118.27 2wdr s GLU 476 Ca 0.05 -1.22 -0.03 0.00 -0.15 0.00 0.00 54.97 53.62 2wdr s GLU 476 Cb -0.09 -0.98 0.43 0.00 -0.44 0.00 0.00 34.13 33.05 2wdr s GLU 476 CO 0.03 0.20 1.84 0.78 0.95 0.00 0.00 175.26 179.05 2wdr h GLY 477 N 3.60 1.44 0.79 -3.83 0.00 -1.98 -2.26 103.07 100.83 2wdr h GLY 477 Ca -0.41 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 2wdr h GLY 477 CO 0.49 0.20 -0.16 -0.55 0.00 0.00 0.00 176.54 176.52 2wdr h ASP 478 N 0.96 -0.39 -0.51 0.19 5.19 -2.00 -2.47 116.42 117.39 2wdr h ASP 478 Ca 0.43 -0.11 0.09 0.00 -0.62 0.00 0.00 57.03 56.82 2wdr h ASP 478 Cb 0.33 0.10 -0.08 0.00 0.18 0.00 0.00 39.33 39.86 2wdr h ASP 478 CO -0.22 -0.11 0.06 0.00 -3.12 0.00 0.00 179.24 175.85 2wdr h ALA 479 N -0.09 0.54 -0.52 3.45 0.00 -1.91 -2.11 119.26 118.62 2wdr h ALA 479 Ca -0.05 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2wdr h ALA 479 Cb 0.47 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2wdr h ALA 479 CO 0.08 -0.35 0.15 0.52 0.00 0.00 0.00 179.25 179.65 2wdr h MET 480 N 0.18 0.78 -0.25 0.00 2.86 -1.40 0.35 114.93 117.46 2wdr h MET 480 Ca 0.26 -0.14 -0.10 0.00 -2.06 0.00 0.00 59.70 57.65 2wdr h MET 480 Cb 0.37 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2wdr h MET 480 CO -0.37 0.69 -0.28 0.00 1.06 0.00 0.00 176.91 178.00 2wdr h ALA 481 N 1.40 1.05 0.22 6.32 0.00 -0.98 -1.91 119.26 125.36 2wdr h ALA 481 Ca 0.17 -0.37 -0.31 0.00 0.00 0.00 0.00 54.91 54.40 2wdr h ALA 481 Cb 0.25 -0.12 0.04 0.00 0.00 0.00 0.00 17.79 17.96 2wdr h ALA 481 CO -0.01 0.58 -1.36 0.87 0.00 0.00 0.00 179.25 179.33 2wdr h LYS 482 N 0.43 0.54 -0.33 0.00 1.57 -0.76 -2.88 116.57 115.12 2wdr h LYS 482 Ca 0.06 -0.87 0.02 0.00 -1.87 0.00 0.00 60.65 57.99 2wdr h LYS 482 Cb 0.72 0.32 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 2wdr h LYS 482 CO 0.06 1.41 0.17 0.78 -0.57 0.00 0.00 179.45 181.30 2wdr h GLY 483 N 0.11 0.45 1.28 3.86 0.00 -0.34 -0.74 103.07 107.70 2wdr h GLY 483 Ca -0.23 -0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.03 2wdr h GLY 483 CO 0.26 0.10 0.36 -2.00 0.00 0.00 0.00 176.54 175.26 2wdr h LEU 484 N 0.36 0.46 -0.15 3.11 5.85 -1.41 -0.01 115.31 123.52 2wdr h LEU 484 Ca 0.14 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.69 2wdr h LEU 484 Cb 0.04 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 40.98 2wdr h LEU 484 CO -0.09 0.31 -0.55 -0.33 -0.34 0.00 0.00 178.44 177.44 2wdr h GLU 485 N 0.53 0.63 -0.01 1.25 4.39 -1.13 -2.71 114.58 117.53 2wdr h GLU 485 Ca 0.23 -0.48 -0.05 0.00 0.34 0.00 0.00 59.36 59.40 2wdr h GLU 485 Cb 0.24 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2wdr h GLU 485 CO -0.06 1.10 -0.22 1.96 -1.16 0.00 0.00 179.01 180.63 2wdr h GLN 486 N 0.30 0.02 0.04 2.33 4.20 -0.35 -2.46 115.11 119.19 2wdr h GLN 486 Ca -0.03 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2wdr h GLN 486 Cb 1.18 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 2wdr h GLN 486 CO 0.12 0.24 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.43 2wdr h LEU 487 N 0.01 -0.05 -0.90 1.46 3.38 -0.98 0.21 115.31 118.46 2wdr h LEU 487 Ca 0.00 -0.26 0.19 0.00 0.09 0.00 0.00 57.88 57.90 2wdr h LEU 487 Cb 0.41 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.06 2wdr h LEU 487 CO 0.03 0.24 0.44 0.11 0.09 0.00 0.00 178.44 179.35 2wdr h LYS 488 N -0.33 0.51 0.36 1.13 1.57 -1.14 0.61 116.57 119.28 2wdr h LYS 488 Ca -0.01 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2wdr h LYS 488 Cb 0.31 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2wdr h LYS 488 CO 0.01 0.34 -0.17 0.28 -0.57 0.00 0.00 179.45 179.34 2wdr h VAL 489 N 0.53 0.63 -1.00 0.50 2.07 -1.23 -2.16 116.25 115.60 2wdr h VAL 489 Ca 0.53 -0.41 0.12 0.00 0.82 0.00 0.00 66.70 67.76 2wdr h VAL 489 Cb 0.91 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.43 2wdr h VAL 489 CO -0.45 0.08 0.63 0.40 0.02 0.00 0.00 177.57 178.25 2wdr h ILE 490 N -0.72 0.93 0.00 4.57 2.04 0.56 -1.42 117.51 123.47 2wdr h ILE 490 Ca -0.05 -0.34 -0.08 0.00 1.00 0.00 0.00 64.86 65.39 2wdr h ILE 490 Cb 0.50 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2wdr h ILE 490 CO 0.08 0.18 -0.36 -0.09 0.00 0.00 0.00 178.15 177.96 2wdr h ARG 491 N 0.99 0.00 -0.15 2.37 2.43 0.25 -2.31 114.38 117.96 2wdr h ARG 491 Ca 0.49 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.59 2wdr h ARG 491 Cb 0.48 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2wdr h ARG 491 CO -0.25 0.36 -0.16 0.93 -1.51 0.00 0.00 179.97 179.34 2wdr h GLU 492 N 0.00 0.38 -0.58 0.20 4.39 -0.60 -3.02 114.58 115.36 2wdr h GLU 492 Ca -0.00 -0.21 0.13 0.00 0.34 0.00 0.00 59.36 59.62 2wdr h GLU 492 Cb 0.72 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 2wdr h GLU 492 CO 0.05 0.77 0.40 0.00 -1.16 0.00 0.00 179.01 179.06 2wdr h ARG 493 N 0.02 0.19 0.01 2.33 3.08 -0.99 -2.01 114.38 117.00 2wdr h ARG 493 Ca 0.02 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.87 2wdr h ARG 493 Cb 0.70 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2wdr h ARG 493 CO 0.04 0.13 -0.87 1.25 -1.07 0.00 0.00 179.97 179.45 2wdr h LEU 494 N 0.20 0.19 0.00 3.04 5.85 -1.33 -2.79 115.31 120.47 2wdr h LEU 494 Ca 0.28 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2wdr h LEU 494 Cb 0.81 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2wdr h LEU 494 CO -0.05 0.97 0.00 0.29 -0.34 0.00 0.00 178.44 179.31 2wdr n LYS 495 N -3.63 0.11 -1.09 1.25 5.02 -0.76 -1.72 118.16 117.35 2wdr n LYS 495 Ca -0.03 0.10 0.04 0.00 -2.02 0.00 0.00 58.31 56.40 2wdr n LYS 495 Cb 0.81 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.38 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 1.03 -4.88 4.39 5.15 -1.06 -5.10 115.26 113.68 2wdr n ASN 496 Ca 0.03 -2.40 -0.30 0.00 -0.60 0.00 0.00 54.58 51.31 2wdr n ASN 496 Cb 0.03 -0.33 -0.01 0.00 -0.53 0.00 0.00 39.78 38.94 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 -0.74 3.22 -0.00 5.20 0.00 -0.70 -0.12 121.76 128.63 2wdr s ALA 497 Ca 0.29 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.10 2wdr s ALA 497 Cb 0.31 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 2wdr s ALA 497 CO -0.11 -0.42 -0.13 -0.98 0.00 0.00 0.00 175.76 174.11 2wdr s ARG 498 N -4.69 2.37 -0.57 0.00 1.70 -0.25 -4.62 118.95 112.89 2wdr s ARG 498 Ca 0.53 -0.80 -0.19 0.00 -0.47 0.00 0.00 55.73 54.80 2wdr s ARG 498 Cb -0.11 -2.35 0.09 0.00 -0.57 0.00 0.00 34.95 32.02 2wdr s ARG 498 CO 0.45 0.59 0.68 -1.17 -1.08 0.00 0.00 175.30 174.76 2wdr s LEU 499 N -1.19 5.29 0.35 -1.89 2.96 -0.87 -4.63 118.68 118.71 2wdr s LEU 499 Ca 0.14 -1.30 0.27 0.00 -0.22 0.00 0.00 54.13 53.01 2wdr s LEU 499 Cb -0.11 -2.34 0.90 0.00 0.50 0.00 0.00 46.19 45.15 2wdr s LEU 499 CO 0.04 -1.05 1.77 0.44 -1.32 0.00 0.00 176.35 176.24 2wdr h ASP 500 N 9.13 0.00 -3.34 3.68 3.32 -1.91 -3.42 116.42 123.87 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 -0.28 0.00 0.22 0.00 0.00 39.33 40.36 2wdr h ASP 500 CO 1.06 0.00 -0.74 -0.62 -1.72 0.00 0.00 179.24 177.22 2wdr s ASP 501 N -5.05 4.13 -0.01 6.45 -1.08 -1.26 -5.00 116.67 114.87 2wdr s ASP 501 Ca 0.06 -0.41 0.21 0.00 -0.52 0.00 0.00 52.55 51.90 2wdr s ASP 501 Cb 0.09 -1.69 -0.23 0.00 -1.46 0.00 0.00 42.92 39.63 2wdr s ASP 501 CO 0.54 0.01 0.80 1.07 0.52 0.00 0.00 175.17 178.11 2wdr n THR 502 N 4.57 0.01 -0.57 1.71 5.66 -1.26 -4.70 114.28 119.69 2wdr n THR 502 Ca -0.18 -0.16 -0.30 0.00 -3.05 0.00 0.00 64.05 60.36 2wdr n THR 502 Cb 0.51 0.64 0.26 0.00 -1.55 0.00 0.00 70.33 70.20 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 -3.50 0.04 0.00 1.09 1.04 -1.26 -5.02 113.70 106.09 2wdr s SER 503 Ca 0.03 1.05 0.00 0.00 0.48 0.00 0.00 55.95 57.51 2wdr s SER 503 Cb 0.15 -1.56 0.00 0.00 0.10 0.00 0.00 66.02 64.72 2wdr s SER 503 CO 0.87 -4.71 0.00 -1.54 0.98 0.00 0.00 173.24 168.84 2wdr n SER 504 N -5.21 0.04 -4.40 7.02 3.41 -1.26 -4.76 113.62 108.45 2wdr n SER 504 Ca 0.09 -0.29 -0.45 0.00 -0.26 0.00 0.00 58.87 57.96 2wdr n SER 504 Cb 0.58 0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 65.08 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 -0.59 3.48 -1.05 4.33 2.56 -1.26 -2.72 118.70 123.45 2wdr s GLU 505 Ca 0.00 -1.84 -0.09 0.00 0.00 0.00 0.00 54.97 53.03 2wdr s GLU 505 Cb 0.00 -4.62 -0.05 0.00 2.00 0.00 0.00 34.13 31.45 2wdr s GLU 505 CO 0.00 -1.59 0.88 0.34 -0.56 0.00 0.00 175.26 174.32 2wdr n PHE 506 N 5.81 -2.36 -3.09 5.30 7.35 -0.57 -4.94 117.46 124.96 2wdr n PHE 506 Ca 0.14 0.78 -0.45 0.00 -0.76 0.00 0.00 57.45 57.15 2wdr n PHE 506 Cb 0.47 -3.95 -0.03 0.00 0.35 0.00 0.00 39.48 36.32 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 -3.38 6.61 0.49 -2.13 3.84 -1.26 -4.88 114.94 114.22 2wdr s ASN 507 Ca 0.44 -2.16 0.23 0.00 0.21 0.00 0.00 52.86 51.58 2wdr s ASN 507 Cb -0.08 -2.32 1.25 0.00 -0.55 0.00 0.00 41.25 39.54 2wdr s ASN 507 CO 0.77 -0.91 2.01 0.71 -2.79 0.00 0.00 177.10 176.89 2wdr h THR 508 N 5.49 0.74 -0.66 -5.21 1.35 -1.93 -3.00 112.91 109.70 2wdr h THR 508 Ca 0.07 -0.69 -0.03 0.00 -0.55 0.00 0.00 66.41 65.21 2wdr h THR 508 Cb 1.04 1.42 -0.03 0.00 -1.73 0.00 0.00 68.15 68.85 2wdr h THR 508 CO 0.99 0.17 0.29 -0.61 -0.25 0.00 0.00 175.52 176.11 2wdr h GLN 509 N 0.00 0.97 -0.42 4.72 5.75 -1.94 -1.24 115.11 122.95 2wdr h GLN 509 Ca -0.00 -0.16 -0.06 0.00 -0.15 0.00 0.00 58.65 58.28 2wdr h GLN 509 Cb 0.41 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 2wdr h GLN 509 CO 0.02 0.79 0.00 -0.09 -2.65 0.00 0.00 178.83 176.90 2wdr h ARG 510 N 0.92 0.68 0.10 1.69 2.43 -1.80 -1.88 114.38 116.52 2wdr h ARG 510 Ca 0.22 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2wdr h ARG 510 Cb 0.16 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2wdr h ARG 510 CO -0.02 0.70 -0.05 0.28 -1.51 0.00 0.00 179.97 179.37 2wdr h VAL 511 N 0.64 1.03 -0.01 0.20 2.07 -1.47 -1.41 116.25 117.30 2wdr h VAL 511 Ca 0.13 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 2wdr h VAL 511 Cb 0.40 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2wdr h VAL 511 CO 0.02 0.12 -0.01 -0.33 0.02 0.00 0.00 177.57 177.39 2wdr h GLU 512 N -0.36 0.02 -0.17 1.57 5.08 -1.08 0.12 114.58 119.76 2wdr h GLU 512 Ca -0.01 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 2wdr h GLU 512 Cb 0.30 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.55 2wdr h GLU 512 CO 0.02 0.03 -0.55 0.00 -1.00 0.00 0.00 179.01 177.51 2wdr h LEU 514 N 0.35 0.92 -0.38 0.00 3.38 -0.12 -2.55 115.31 116.91 2wdr h LEU 514 Ca -0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2wdr h LEU 514 Cb 1.18 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2wdr h LEU 514 CO 0.12 0.75 0.17 -0.33 0.09 0.00 0.00 178.44 179.24 2wdr h GLU 515 N 1.03 0.56 -1.00 1.13 5.08 -0.75 -2.98 114.58 117.65 2wdr h GLU 515 Ca 0.26 -0.09 0.19 0.00 -1.00 0.00 0.00 59.36 58.72 2wdr h GLU 515 Cb 0.05 -0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.09 2wdr h GLU 515 CO -0.04 0.51 0.61 1.25 -1.00 0.00 0.00 179.01 180.34 2wdr h LEU 516 N 0.47 0.76 -1.65 1.33 5.85 -0.92 0.48 115.31 121.63 2wdr h LEU 516 Ca 0.13 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.09 2wdr h LEU 516 Cb 0.14 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2wdr h LEU 516 CO -0.01 0.27 0.47 0.44 -0.34 0.00 0.00 178.44 179.27 2wdr h ASP 517 N 0.73 0.33 0.25 1.25 3.32 -1.42 -1.04 116.42 119.83 2wdr h ASP 517 Ca 0.57 0.02 -0.34 0.00 0.02 0.00 0.00 57.03 57.30 2wdr h ASP 517 Cb 0.93 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.45 2wdr h ASP 517 CO -0.37 0.17 -1.66 0.78 -1.72 0.00 0.00 179.24 176.45 2wdr h ASN 518 N 0.35 0.64 -0.94 6.45 2.35 -0.18 -2.20 115.58 122.05 2wdr h ASN 518 Ca 0.34 -0.87 0.20 0.00 -0.55 0.00 0.00 56.30 55.42 2wdr h ASN 518 Cb 0.84 -0.21 -0.11 0.00 0.05 0.00 0.00 38.32 38.89 2wdr h ASN 518 CO -0.09 1.72 0.51 -0.07 -1.65 0.00 0.00 177.43 177.84 2wdr h LEU 519 N 0.11 0.57 0.43 1.61 3.38 -0.88 -1.18 115.31 119.35 2wdr h LEU 519 Ca -0.31 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2wdr h LEU 519 Cb 2.11 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.90 2wdr h LEU 519 CO 0.20 0.14 -0.21 -0.03 0.09 0.00 0.00 178.44 178.63 2wdr h MET 520 N 0.58 -0.56 -0.85 1.13 4.05 -1.11 -0.49 114.93 117.69 2wdr h MET 520 Ca 0.57 0.04 0.21 0.00 -0.28 0.00 0.00 59.70 60.23 2wdr h MET 520 Cb 0.98 0.13 -0.12 0.00 -0.80 0.00 0.00 31.60 31.78 2wdr h MET 520 CO -0.45 -0.37 0.29 0.93 0.23 0.00 0.00 176.91 177.55 2wdr h GLU 521 N -0.71 0.31 0.31 0.39 4.39 -1.27 0.66 114.58 118.66 2wdr h GLU 521 Ca -0.06 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2wdr h GLU 521 Cb 0.44 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2wdr h GLU 521 CO 0.10 0.20 -0.15 1.15 -1.16 0.00 0.00 179.01 179.15 2wdr h THR 522 N 0.32 0.71 -0.99 1.13 2.02 -1.23 -0.94 112.91 113.94 2wdr h THR 522 Ca 0.52 -0.44 0.14 0.00 0.77 0.00 0.00 66.41 67.40 2wdr h THR 522 Cb 0.97 0.95 -0.09 0.00 -1.74 0.00 0.00 68.15 68.24 2wdr h THR 522 CO -0.56 0.09 0.61 0.00 0.37 0.00 0.00 175.52 176.03 2wdr h ALA 523 N -0.06 1.54 0.28 6.16 0.00 -0.20 -0.41 119.26 126.57 2wdr h ALA 523 Ca -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2wdr h ALA 523 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2wdr h ALA 523 CO 0.07 0.12 -0.14 -0.92 0.00 0.00 0.00 179.25 178.38 2wdr h TYR 524 N 0.90 -0.35 -0.34 0.00 3.20 -0.80 -1.68 116.97 117.89 2wdr h TYR 524 Ca 0.52 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.46 2wdr h TYR 524 Cb 0.62 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 2wdr h TYR 524 CO -0.01 -0.00 0.24 0.00 -1.64 0.00 0.00 178.16 176.75 2wdr h ALA 525 N -0.25 2.16 0.18 1.82 0.00 -0.91 0.05 119.26 122.31 2wdr h ALA 525 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2wdr h ALA 525 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wdr h ALA 525 CO 0.06 -0.24 -0.09 1.15 0.00 0.00 0.00 179.25 180.13 2wdr h THR 526 N 0.13 0.92 -0.12 0.00 2.02 -0.98 -2.59 112.91 112.28 2wdr h THR 526 Ca 0.16 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 2wdr h THR 526 Cb 0.47 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2wdr h THR 526 CO -0.02 0.13 0.08 0.00 0.37 0.00 0.00 175.52 176.07 2wdr h ALA 527 N 0.22 0.15 -0.79 6.16 0.00 -0.34 1.00 119.26 125.67 2wdr h ALA 527 Ca -0.03 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.97 2wdr h ALA 527 Cb 0.40 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2wdr h ALA 527 CO 0.04 -0.34 0.52 0.28 0.00 0.00 0.00 179.25 179.75 2wdr h VAL 528 N 0.14 0.89 -0.02 0.00 2.07 -1.12 -2.50 116.25 115.72 2wdr h VAL 528 Ca 0.04 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 2wdr h VAL 528 Cb 0.02 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2wdr h VAL 528 CO -0.01 0.11 -0.24 0.28 0.02 0.00 0.00 177.57 177.74 2wdr h SER 529 N 0.63 0.24 -0.83 0.57 0.02 -0.96 -3.01 113.55 110.20 2wdr h SER 529 Ca 0.37 -0.73 0.11 0.00 -0.84 0.00 0.00 61.79 60.71 2wdr h SER 529 Cb 0.59 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.00 2wdr h SER 529 CO -0.14 0.93 0.54 0.00 -1.14 0.00 0.00 176.83 177.02 2wdr h ALA 530 N 0.31 1.79 -0.10 3.77 0.00 -0.57 -0.87 119.26 123.59 2wdr h ALA 530 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wdr h ALA 530 Cb 0.96 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2wdr h ALA 530 CO 0.05 0.03 0.03 -0.91 0.00 0.00 0.00 179.25 178.44 2wdr h ASN 531 N 0.72 0.14 -0.56 0.00 4.21 -1.53 -3.29 115.58 115.28 2wdr h ASN 531 Ca 0.39 -0.22 0.08 0.00 1.21 0.00 0.00 56.30 57.76 2wdr h ASN 531 Cb 0.54 -0.04 -0.06 0.00 -1.12 0.00 0.00 38.32 37.64 2wdr h ASN 531 CO -0.16 0.32 0.22 0.15 -1.29 0.00 0.00 177.43 176.67 2wdr h PHE 532 N -0.04 0.38 -2.52 1.19 3.57 -1.03 -3.38 116.94 115.11 2wdr h PHE 532 Ca 0.03 0.03 -0.54 0.00 3.53 0.00 0.00 57.97 61.02 2wdr h PHE 532 Cb 0.23 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.83 2wdr h PHE 532 CO 0.00 0.12 1.13 0.50 -2.23 0.00 0.00 178.31 177.83 2wdr s ARG 533 N -6.11 3.15 -1.12 1.11 3.52 -0.95 -4.88 118.95 113.67 2wdr s ARG 533 Ca -0.13 0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.65 2wdr s ARG 533 Cb 0.16 -4.19 0.16 0.00 -1.56 0.00 0.00 34.95 29.52 2wdr s ARG 533 CO 0.74 -2.14 2.31 0.25 -0.81 0.00 0.00 175.30 175.65 2wdr n THR 534 N 6.74 5.09 -3.16 4.11 -2.24 -1.26 -4.87 114.28 118.69 2wdr n THR 534 Ca 0.10 -4.48 -0.00 0.00 -2.27 0.00 0.00 64.05 57.40 2wdr n THR 534 Cb 0.50 -1.86 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 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 1.14 0.05 -3.72 -0.78 0.28 -1.26 -4.91 120.64 111.44 2wdr n GLU 535 Ca 0.57 -0.11 -0.26 0.00 -0.16 0.00 0.00 57.16 57.20 2wdr n GLU 535 Cb 0.29 0.13 -0.17 0.00 1.43 0.00 0.00 31.44 33.12 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 -1.10 2.46 -0.08 -1.84 0.01 -0.78 -4.23 113.70 108.14 2wdr s SER 536 Ca 0.01 -0.59 -0.05 0.00 1.31 0.00 0.00 55.95 56.63 2wdr s SER 536 Cb -0.00 -0.49 0.03 0.00 0.21 0.00 0.00 66.02 65.78 2wdr s SER 536 CO 0.01 -0.29 0.19 -0.60 0.41 0.00 0.00 173.24 172.96 2wdr s ARG 537 N 1.94 0.16 5.89 12.44 3.52 -0.74 -3.48 118.95 138.68 2wdr s ARG 537 Ca 0.01 0.39 0.00 0.00 -0.13 0.00 0.00 55.73 56.00 2wdr s ARG 537 Cb -0.16 -0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.15 2wdr s ARG 537 CO -0.07 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 174.70 2wdr n GLY 538 N 3.85 3.43 0.26 8.12 0.00 -1.26 -2.35 105.19 117.24 2wdr n GLY 538 Ca -0.22 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.74 0.67 -2.16 4.61 0.00 -1.46 -3.43 119.26 116.75 2wdr h ALA 539 Ca 0.00 -0.44 -0.56 0.00 0.00 0.00 0.00 54.91 53.91 2wdr h ALA 539 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2wdr h ALA 539 CO 0.00 0.67 1.31 -1.58 0.00 0.00 0.00 179.25 179.65 2wdr s HIS 540 N -4.40 1.38 -0.23 0.00 5.04 -0.99 -4.92 115.29 111.17 2wdr s HIS 540 Ca -0.10 0.09 -0.02 0.00 -1.54 0.00 0.00 55.06 53.49 2wdr s HIS 540 Cb 0.12 -4.08 0.07 0.00 0.04 0.00 0.00 32.58 28.73 2wdr s HIS 540 CO 0.87 -4.55 0.05 0.45 -2.34 0.00 0.00 174.74 169.22 2wdr s SER 541 N 5.88 3.22 -0.13 9.88 0.15 -1.26 -1.79 113.70 129.65 2wdr s SER 541 Ca 0.90 -1.04 -0.06 0.00 0.70 0.00 0.00 55.95 56.45 2wdr s SER 541 Cb -0.36 -0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 63.27 2wdr s SER 541 CO 0.37 -0.34 0.09 -0.13 1.20 0.00 0.00 173.24 174.43 2wdr s ARG 542 N 1.82 3.50 0.18 5.44 0.52 -1.26 -0.59 118.95 128.56 2wdr s ARG 542 Ca 0.02 -0.26 -0.04 0.00 -0.52 0.00 0.00 55.73 54.93 2wdr s ARG 542 Cb -0.17 -3.11 0.07 0.00 0.52 0.00 0.00 34.95 32.27 2wdr s ARG 542 CO -0.14 0.61 1.48 0.74 0.02 0.00 0.00 175.30 178.01 2wdr h PHE 543 N 5.53 0.75 0.00 -0.53 0.04 -1.63 -3.04 116.94 118.06 2wdr h PHE 543 Ca -0.49 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 60.01 2wdr h PHE 543 Cb 1.20 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.21 2wdr h PHE 543 CO 0.67 1.02 0.00 -0.40 -0.60 0.00 0.00 178.31 179.00 2wdr n ASP 544 N -3.95 0.00 -2.91 2.17 5.75 -1.26 -3.99 116.55 112.35 2wdr n ASP 544 Ca -0.04 -0.71 -0.14 0.00 -0.01 0.00 0.00 54.79 53.90 2wdr n ASP 544 Cb 0.62 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 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 -1.07 -2.33 0.71 2.11 3.72 -1.19 -5.02 117.46 114.39 2wdr n PHE 545 Ca 0.20 -2.37 0.11 0.00 -0.05 0.00 0.00 57.45 55.33 2wdr n PHE 545 Cb 0.13 0.90 0.46 0.00 -0.94 0.00 0.00 39.48 40.02 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 1.67 0.03 -3.73 -1.08 -0.02 -1.15 -2.67 135.00 128.04 2wdr n PRO 546 Ca 0.14 0.15 -0.31 0.00 -2.02 0.00 0.00 63.50 61.46 2wdr n PRO 546 Cb 0.59 -1.54 -0.05 0.00 -0.02 0.00 0.00 33.50 32.48 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 -3.16 6.46 -0.23 2.55 1.01 -1.26 -4.62 116.67 117.41 2wdr s ASP 547 Ca 0.10 0.51 -0.28 0.00 0.71 0.00 0.00 52.55 53.60 2wdr s ASP 547 Cb 0.14 -2.06 0.01 0.00 1.01 0.00 0.00 42.92 42.01 2wdr s ASP 547 CO 0.40 0.09 0.98 -0.60 0.21 0.00 0.00 175.17 176.25 2wdr s ARG 548 N -2.59 4.24 -0.86 8.23 3.52 -1.23 -1.87 118.95 128.39 2wdr s ARG 548 Ca 0.39 1.25 -0.10 0.00 -0.13 0.00 0.00 55.73 57.14 2wdr s ARG 548 Cb -0.12 -3.64 0.22 0.00 -1.56 0.00 0.00 34.95 29.85 2wdr s ARG 548 CO 0.25 -0.60 0.78 0.34 -0.81 0.00 0.00 175.30 175.26 2wdr s ASP 549 N 1.24 6.53 0.00 -2.12 2.15 -1.26 -4.89 116.67 118.32 2wdr s ASP 549 Ca 0.42 -3.01 0.19 0.00 0.43 0.00 0.00 52.55 50.58 2wdr s ASP 549 Cb -0.15 -2.12 0.93 0.00 -0.30 0.00 0.00 42.92 41.29 2wdr s ASP 549 CO 0.06 -0.44 1.57 0.47 -0.17 0.00 0.00 175.17 176.66 2wdr n ASP 550 N 3.47 0.00 0.01 -0.34 8.00 -1.26 -0.97 116.55 125.46 2wdr n ASP 550 Ca 0.16 0.03 -0.03 0.00 0.71 0.00 0.00 54.79 55.65 2wdr n ASP 550 Cb 0.43 -0.29 -0.11 0.00 -0.02 0.00 0.00 41.12 41.13 2wdr n ASP 550 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wdr n GLU 551 N -1.29 0.63 0.00 -1.24 1.02 -1.26 -3.99 120.64 114.50 2wdr n GLU 551 Ca 0.09 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 2wdr n GLU 551 Cb 0.15 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 2wdr n GLU 551 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2wdr n ASN 552 N -2.93 3.44 -0.29 1.62 3.02 -1.12 -4.81 115.26 114.19 2wdr n ASN 552 Ca -0.13 -0.15 0.05 0.00 -0.03 0.00 0.00 54.58 54.32 2wdr n ASN 552 Cb 0.92 0.99 0.07 0.00 -0.61 0.00 0.00 39.78 41.15 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 -1.34 0.00 -2.08 3.10 7.02 -0.14 -4.86 117.44 119.15 2wdr n TRP 553 Ca 0.00 -0.48 -0.42 0.00 -1.02 0.00 0.00 57.50 55.58 2wdr n TRP 553 Cb 0.00 -0.10 -0.01 0.00 -2.42 0.00 0.00 31.31 28.79 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 -0.69 5.73 -3.84 -0.99 7.94 -1.25 -4.80 117.00 119.10 2wdr n LEU 554 Ca 0.08 -3.94 0.02 0.00 -1.11 0.00 0.00 56.01 51.05 2wdr n LEU 554 Cb 0.67 -1.67 0.01 0.00 0.53 0.00 0.00 43.42 42.95 2wdr n LEU 554 CO 0.00 0.49 1.06 0.00 -1.11 0.00 0.00 177.39 177.83 2wdr s HIS 556 N -2.19 3.47 -0.07 0.00 3.76 -0.20 -4.90 115.29 115.17 2wdr s HIS 556 Ca 0.23 0.57 -0.10 0.00 -0.15 0.00 0.00 55.06 55.61 2wdr s HIS 556 Cb 0.01 -2.04 -0.05 0.00 1.11 0.00 0.00 32.58 31.62 2wdr s HIS 556 CO -0.01 0.27 0.25 -1.54 -0.85 0.00 0.00 174.74 172.86 2wdr s SER 557 N -2.99 6.56 -0.11 1.40 1.04 -1.26 -1.91 113.70 116.43 2wdr s SER 557 Ca 0.42 0.67 0.02 0.00 0.48 0.00 0.00 55.95 57.54 2wdr s SER 557 Cb -0.11 -2.14 0.01 0.00 0.10 0.00 0.00 66.02 63.88 2wdr s SER 557 CO 0.28 0.37 -0.15 -0.22 0.98 0.00 0.00 173.24 174.50 2wdr s LEU 558 N -1.09 1.73 -0.49 2.42 2.96 -0.55 -0.58 118.68 123.09 2wdr s LEU 558 Ca 0.19 -0.43 -0.18 0.00 -0.22 0.00 0.00 54.13 53.49 2wdr s LEU 558 Cb -0.14 -1.09 0.05 0.00 0.50 0.00 0.00 46.19 45.52 2wdr s LEU 558 CO 0.08 0.02 0.57 -0.47 -1.32 0.00 0.00 176.35 175.23 2wdr s TYR 559 N 0.95 3.10 -0.36 5.38 5.04 0.54 -1.07 117.35 130.92 2wdr s TYR 559 Ca -0.07 -0.55 -0.29 0.00 -2.44 0.00 0.00 57.07 53.71 2wdr s TYR 559 Cb -0.15 -3.39 0.02 0.00 0.35 0.00 0.00 41.96 38.79 2wdr s TYR 559 CO -0.01 -0.95 1.16 -0.51 -1.34 0.00 0.00 175.55 173.90 2wdr s LEU 560 N 2.42 3.82 0.18 6.97 1.43 -0.24 -3.06 118.68 130.20 2wdr s LEU 560 Ca 0.13 0.91 -0.07 0.00 -1.03 0.00 0.00 54.13 54.07 2wdr s LEU 560 Cb -0.19 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.54 2wdr s LEU 560 CO 0.12 -1.05 1.53 -0.65 0.23 0.00 0.00 176.35 176.52 2wdr h PRO 561 N 8.78 0.80 -0.41 1.29 0.11 -1.86 -1.07 132.00 139.65 2wdr h PRO 561 Ca -0.23 -0.41 -0.10 0.00 0.11 0.00 0.00 66.00 65.37 2wdr h PRO 561 Cb 1.07 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2wdr h PRO 561 CO 1.06 1.04 -0.16 0.93 -0.21 0.00 0.00 178.00 180.67 2wdr h GLU 562 N 0.66 0.77 -0.11 1.05 5.08 -1.89 -2.94 114.58 117.20 2wdr h GLU 562 Ca 0.06 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2wdr h GLU 562 Cb 0.94 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2wdr h GLU 562 CO 0.09 0.88 0.00 -1.13 -1.00 0.00 0.00 179.01 177.84 2wdr n SER 563 N -4.14 2.84 -3.48 1.42 3.41 -1.23 -4.97 113.62 107.48 2wdr n SER 563 Ca 0.01 -1.87 -0.25 0.00 -0.26 0.00 0.00 58.87 56.50 2wdr n SER 563 Cb 0.39 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.28 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 1.18 -3.42 -4.63 4.33 1.02 -0.42 -4.96 120.64 113.74 2wdr n GLU 564 Ca 0.13 0.46 -0.29 0.00 -0.02 0.00 0.00 57.16 57.44 2wdr n GLU 564 Cb 0.52 -5.18 -0.10 0.00 -0.02 0.00 0.00 31.44 26.66 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 -2.80 3.97 0.37 1.62 1.04 -1.10 -4.97 113.70 111.83 2wdr s SER 565 Ca 0.45 -1.43 0.08 0.00 0.48 0.00 0.00 55.95 55.53 2wdr s SER 565 Cb -0.24 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.68 2wdr s SER 565 CO 0.55 -0.56 0.34 -0.04 0.98 0.00 0.00 173.24 174.51 2wdr s MET 566 N -3.76 2.66 0.00 4.02 -1.94 -1.26 -1.08 119.30 117.94 2wdr s MET 566 Ca 0.28 -1.38 0.00 0.00 -1.71 0.00 0.00 55.69 52.88 2wdr s MET 566 Cb 0.08 -2.45 0.00 0.00 2.01 0.00 0.00 34.83 34.46 2wdr s MET 566 CO 0.15 -0.03 0.00 -2.37 -0.01 0.00 0.00 175.02 172.76 2wdr n THR 567 N -1.46 0.00 -4.04 2.05 5.66 -0.24 -4.89 114.28 111.36 2wdr n THR 567 Ca 0.01 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.93 2wdr n THR 567 Cb 0.60 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.28 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 0.18 0.49 0.02 1.09 0.52 -1.26 -1.47 118.95 118.51 2wdr s ARG 568 Ca 0.00 -0.96 0.02 0.00 -0.52 0.00 0.00 55.73 54.28 2wdr s ARG 568 Cb 0.00 0.17 -0.02 0.00 0.52 0.00 0.00 34.95 35.62 2wdr s ARG 568 CO 0.00 -0.09 -0.08 1.03 0.02 0.00 0.00 175.30 176.18 2wdr s ARG 569 N -2.89 0.57 0.46 3.54 0.52 -0.80 -4.86 118.95 115.49 2wdr s ARG 569 Ca -0.03 -0.55 -0.25 0.00 -0.52 0.00 0.00 55.73 54.39 2wdr s ARG 569 Cb 0.00 -0.46 -0.08 0.00 0.52 0.00 0.00 34.95 34.93 2wdr s ARG 569 CO -0.06 0.11 1.41 0.43 0.02 0.00 0.00 175.30 177.20 2wdr n SER 570 N 2.10 3.14 -4.70 0.23 7.64 -1.26 -1.03 113.62 119.73 2wdr n SER 570 Ca -0.18 1.10 -0.40 0.00 1.01 0.00 0.00 58.87 60.39 2wdr n SER 570 Cb 0.56 -1.59 -0.05 0.00 -1.01 0.00 0.00 64.21 62.12 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 -1.21 5.01 0.17 0.44 1.01 -1.26 -4.65 120.40 119.90 2wdr s VAL 571 Ca 0.63 1.48 -0.30 0.00 0.00 0.00 0.00 61.98 63.78 2wdr s VAL 571 Cb -0.45 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 31.79 2wdr s VAL 571 CO 0.56 0.19 1.23 0.21 0.00 0.00 0.00 175.10 177.29 2wdr s ASN 572 N 0.92 7.04 -0.28 3.32 3.84 -1.26 -4.93 114.94 123.59 2wdr s ASN 572 Ca 0.37 2.24 0.18 0.00 0.21 0.00 0.00 52.86 55.86 2wdr s ASN 572 Cb -0.17 -2.60 0.49 0.00 -0.55 0.00 0.00 41.25 38.41 2wdr s ASN 572 CO 0.17 -0.42 1.12 0.23 -2.79 0.00 0.00 177.10 175.40 2wdr n MET 573 N 2.77 2.26 -3.56 0.43 2.81 -1.26 -1.29 117.12 119.28 2wdr n MET 573 Ca 0.06 -3.70 -0.29 0.00 -1.81 0.00 0.00 57.70 51.96 2wdr n MET 573 Cb 0.44 -1.79 -0.12 0.00 -0.71 0.00 0.00 33.22 31.05 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 -3.70 1.04 0.96 0.03 2.02 -1.26 -4.55 118.70 113.24 2wdr s GLU 574 Ca 0.34 -1.93 -0.16 0.00 0.02 0.00 0.00 54.97 53.24 2wdr s GLU 574 Cb 0.36 -1.84 0.25 0.00 0.10 0.00 0.00 34.13 32.99 2wdr s GLU 574 CO -0.02 -1.25 0.71 -2.30 0.02 0.00 0.00 175.26 172.43 2wdr n PRO 575 N 3.37 -3.25 0.00 0.39 -0.02 -1.26 -4.48 135.00 129.74 2wdr n PRO 575 Ca 0.17 -1.16 0.00 0.00 -2.02 0.00 0.00 63.50 60.48 2wdr n PRO 575 Cb 0.39 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 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 -4.29 1.58 0.00 -0.52 4.76 -1.26 -4.77 118.16 113.66 2wdr n LYS 576 Ca 0.10 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.57 2wdr n LYS 576 Cb 0.43 -0.94 -0.03 0.00 -1.84 0.00 0.00 35.03 32.65 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 -1.48 0.39 -3.83 -0.35 4.77 -1.26 -5.00 117.00 110.23 2wdr n LEU 577 Ca 0.00 -0.55 -0.10 0.00 -0.03 0.00 0.00 56.01 55.33 2wdr n LEU 577 Cb 0.14 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 2wdr n LEU 577 CO 0.00 0.09 0.05 0.00 -1.33 0.00 0.00 177.39 176.20 2wdr s ARG 578 N -1.41 1.11 0.54 3.23 1.70 -1.26 -5.15 118.95 117.70 2wdr s ARG 578 Ca 0.03 -0.98 -0.19 0.00 -0.47 0.00 0.00 55.73 54.12 2wdr s ARG 578 Cb 0.04 0.41 -0.06 0.00 -0.57 0.00 0.00 34.95 34.78 2wdr s ARG 578 CO 0.21 -0.42 1.10 -2.14 -1.08 0.00 0.00 175.30 172.98 2wdr s PRO 579 N -3.89 3.42 0.71 3.89 0.02 -1.26 -4.41 135.00 133.48 2wdr s PRO 579 Ca 0.10 1.53 -0.16 0.00 0.02 0.00 0.00 61.00 62.49 2wdr s PRO 579 Cb 0.03 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.53 2wdr s PRO 579 CO -0.05 -0.77 1.07 0.00 -0.33 0.00 0.00 177.00 176.91 2wdr n ALA 580 N -1.32 0.10 -2.63 -1.55 0.00 -1.26 -4.92 120.51 108.92 2wdr n ALA 580 Ca 0.11 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 2wdr n ALA 580 Cb 0.51 -2.18 -0.05 0.00 0.00 0.00 0.00 19.45 17.73 2wdr n ALA 580 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2wdr s PHE 581 N -1.75 3.30 0.52 0.00 0.08 -1.26 -5.03 117.98 113.83 2wdr s PHE 581 Ca 0.75 0.96 -0.20 0.00 0.12 0.00 0.00 56.93 58.56 2wdr s PHE 581 Cb -0.35 -2.93 -0.06 0.00 -0.57 0.00 0.00 43.02 39.11 2wdr s PHE 581 CO 0.48 -0.35 1.13 -2.14 -0.10 0.00 0.00 175.22 174.24 2wdr s PRO 582 N 2.61 3.48 0.06 0.24 0.02 -1.26 -4.96 135.00 135.19 2wdr s PRO 582 Ca 0.30 1.63 -0.31 0.00 0.02 0.00 0.00 61.00 62.64 2wdr s PRO 582 Cb -0.15 -2.10 -0.07 0.00 0.02 0.00 0.00 34.50 32.19 2wdr s PRO 582 CO 0.08 -0.75 1.49 -2.14 -0.33 0.00 0.00 177.00 175.35 2wdr s PRO 583 N -3.15 4.26 0.26 5.54 0.02 -1.26 -5.00 135.00 135.67 2wdr s PRO 583 Ca 0.70 2.13 0.04 0.00 0.02 0.00 0.00 61.00 63.89 2wdr s PRO 583 Cb -0.24 -3.48 -0.01 0.00 0.02 0.00 0.00 34.50 30.78 2wdr s PRO 583 CO 0.28 -0.60 0.14 0.36 -0.33 0.00 0.00 177.00 176.86 2wdr n LYS 584 N 5.03 0.51 -2.30 5.54 2.85 -1.26 -5.12 118.16 123.41 2wdr n LYS 584 Ca 0.14 -2.37 -0.41 0.00 -1.05 0.00 0.00 58.31 54.61 2wdr n LYS 584 Cb 0.42 1.56 -0.03 0.00 -0.65 0.00 0.00 35.03 36.33 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 -2.76 3.34 -0.49 0.58 1.01 -1.26 -4.98 121.20 116.65 2wdr s ILE 585 Ca 0.20 1.15 -0.07 0.00 0.00 0.00 0.00 60.65 61.93 2wdr s ILE 585 Cb 0.01 -3.74 0.13 0.00 0.01 0.00 0.00 42.46 38.87 2wdr s ILE 585 CO 0.14 0.20 0.34 -0.60 0.00 0.00 0.00 174.94 175.02 2wdr s ARG 586 N -0.43 2.43 0.03 2.79 3.52 -1.26 -5.06 118.95 120.98 2wdr s ARG 586 Ca 0.53 -1.88 0.02 0.00 -0.13 0.00 0.00 55.73 54.28 2wdr s ARG 586 Cb -0.35 -3.86 -0.02 0.00 -1.56 0.00 0.00 34.95 29.16 2wdr s ARG 586 CO 0.39 -1.17 -0.07 0.95 -0.81 0.00 0.00 175.30 174.58 2wdr s THR 587 N 1.13 0.53 -1.60 4.11 -4.23 -1.26 -5.17 115.64 109.16 2wdr s THR 587 Ca 0.08 -0.91 0.13 0.00 -1.18 0.00 0.00 61.69 59.80 2wdr s THR 587 Cb -0.24 -0.57 0.10 0.00 1.34 0.00 0.00 72.50 73.13 2wdr s THR 587 CO -0.02 -0.27 0.91 -1.22 -0.54 0.00 0.00 174.62 173.47