#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spu s MET 7 N 0.00 0.92 0.09 -0.41 -1.94 -1.26 -0.93 119.30 115.77 1spu s MET 7 Ca 0.00 -0.85 0.08 0.00 -1.71 0.00 0.00 55.69 53.21 1spu s MET 7 Cb 0.00 -0.95 -0.03 0.00 2.01 0.00 0.00 34.83 35.86 1spu s MET 7 CO 0.00 0.23 -0.20 0.08 -0.01 0.00 0.00 175.02 175.11 1spu s VAL 8 N -1.01 1.65 -0.18 -6.03 1.01 0.62 -4.94 120.40 111.52 1spu s VAL 8 Ca 0.01 -1.47 -0.29 0.00 0.00 0.00 0.00 61.98 60.22 1spu s VAL 8 Cb -0.09 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1spu s VAL 8 CO 0.02 -0.04 1.38 -2.16 0.00 0.00 0.00 175.10 174.30 1spu s PRO 9 N -1.79 4.11 0.13 2.72 0.04 -1.26 0.99 135.00 139.94 1spu s PRO 9 Ca 0.06 1.67 -0.22 0.00 0.04 0.00 0.00 61.00 62.55 1spu s PRO 9 Cb -0.10 -3.86 -0.01 0.00 0.04 0.00 0.00 34.50 30.57 1spu s PRO 9 CO 0.04 -0.88 1.67 1.98 0.04 0.00 0.00 177.00 179.84 1spu h MET 10 N 8.95 -0.17 -0.69 4.56 4.05 -1.34 -2.82 114.93 127.47 1spu h MET 10 Ca -0.29 0.01 0.11 0.00 -0.28 0.00 0.00 59.70 59.25 1spu h MET 10 Cb 1.12 0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 31.88 1spu h MET 10 CO 0.98 -0.11 0.28 0.22 0.23 0.00 0.00 176.91 178.51 1spu h ASP 11 N -0.18 0.28 0.07 1.39 3.58 -1.91 -0.41 116.42 119.25 1spu h ASP 11 Ca 0.10 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 1spu h ASP 11 Cb 0.32 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1spu h ASP 11 CO -0.26 0.14 -0.04 0.50 -2.88 0.00 0.00 179.24 176.71 1spu h LYS 12 N 0.45 -0.10 -0.88 0.28 3.64 -1.92 -2.60 116.57 115.46 1spu h LYS 12 Ca 0.36 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.86 1spu h LYS 12 Cb 0.49 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.25 1spu h LYS 12 CO -0.35 0.28 0.51 1.15 -2.27 0.00 0.00 179.45 178.77 1spu h THR 13 N -0.49 0.87 -0.09 1.00 2.02 -1.28 0.04 112.91 114.97 1spu h THR 13 Ca -0.01 -0.28 -0.13 0.00 0.77 0.00 0.00 66.41 66.76 1spu h THR 13 Cb 0.42 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1spu h THR 13 CO 0.02 0.15 -0.45 -0.07 0.37 0.00 0.00 175.52 175.53 1spu h LEU 14 N 0.80 0.56 -0.29 2.58 3.38 -1.13 -1.08 115.31 120.13 1spu h LEU 14 Ca 0.44 -0.65 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1spu h LEU 14 Cb 0.47 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1spu h LEU 14 CO -0.28 1.11 0.17 0.11 0.09 0.00 0.00 178.44 179.64 1spu h LYS 15 N 0.04 0.33 0.00 1.13 6.56 -1.17 0.13 116.57 123.60 1spu h LYS 15 Ca -0.03 -0.02 -0.05 0.00 -1.06 0.00 0.00 60.65 59.49 1spu h LYS 15 Cb 1.10 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.68 1spu h LYS 15 CO 0.09 0.22 -0.22 1.49 -2.06 0.00 0.00 179.45 178.97 1spu h GLU 16 N 0.34 0.00 0.00 3.15 4.81 -1.04 -1.51 114.58 120.34 1spu h GLU 16 Ca 0.11 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 1spu h GLU 16 Cb -0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1spu h GLU 16 CO -0.05 0.22 -0.41 0.35 -0.73 0.00 0.00 179.01 178.39 1spu h PHE 17 N 0.00 0.00 0.00 0.92 3.57 -0.31 -3.48 116.94 117.64 1spu h PHE 17 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1spu h PHE 17 Cb 0.42 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1spu h PHE 17 CO 0.00 0.41 0.00 0.41 -2.23 0.00 0.00 178.31 176.90 1spu n GLY 18 N 1.17 0.84 3.83 2.40 0.00 0.14 -5.06 105.19 108.50 1spu n GLY 18 Ca 0.02 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1spu n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spu s ALA 19 N -2.00 3.66 -0.09 4.61 0.00 0.22 -4.90 121.76 123.26 1spu s ALA 19 Ca 0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 51.96 51.56 1spu s ALA 19 Cb 0.00 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 1spu s ALA 19 CO 0.00 0.46 0.80 0.34 0.00 0.00 0.00 175.76 177.36 1spu s ASP 20 N -1.19 7.04 -0.22 0.00 2.15 -0.56 -3.83 116.67 120.06 1spu s ASP 20 Ca 0.27 1.27 -0.00 0.00 0.43 0.00 0.00 52.55 54.52 1spu s ASP 20 Cb -0.17 -2.46 0.02 0.00 -0.30 0.00 0.00 42.92 40.02 1spu s ASP 20 CO 0.16 -0.25 -0.12 -0.69 -0.17 0.00 0.00 175.17 174.10 1spu s VAL 21 N 1.35 2.49 -0.12 1.11 1.01 -1.26 -1.44 120.40 123.54 1spu s VAL 21 Ca 0.40 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1spu s VAL 21 Cb -0.18 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1spu s VAL 21 CO 0.18 0.34 -0.22 -1.10 0.00 0.00 0.00 175.10 174.30 1spu s GLN 22 N 1.30 3.07 -0.12 2.72 -1.52 0.33 -4.99 119.66 120.45 1spu s GLN 22 Ca 0.02 -0.85 -0.02 0.00 -1.95 0.00 0.00 55.36 52.56 1spu s GLN 22 Cb -0.15 -2.41 -0.03 0.00 -0.22 0.00 0.00 33.01 30.20 1spu s GLN 22 CO -0.08 0.08 -0.04 -0.46 -0.25 0.00 0.00 175.29 174.53 1spu s TRP 23 N 0.60 3.01 -0.34 0.91 -0.11 -1.26 0.14 118.94 121.89 1spu s TRP 23 Ca -0.12 -0.15 0.01 0.00 1.22 0.00 0.00 56.10 57.05 1spu s TRP 23 Cb -0.17 -1.86 0.09 0.00 -1.50 0.00 0.00 33.47 30.03 1spu s TRP 23 CO 0.03 0.13 0.06 0.34 -4.62 0.00 0.00 176.95 172.89 1spu s ASP 24 N -0.13 4.90 0.16 5.86 -1.08 0.20 -4.97 116.67 121.61 1spu s ASP 24 Ca 0.02 -1.83 -0.15 0.00 -0.52 0.00 0.00 52.55 50.08 1spu s ASP 24 Cb -0.13 -1.70 0.05 0.00 -1.46 0.00 0.00 42.92 39.69 1spu s ASP 24 CO 0.03 -0.38 1.80 -0.78 0.52 0.00 0.00 175.17 176.36 1spu h ASP 25 N 7.85 0.41 0.69 -0.34 3.58 -1.96 1.58 116.42 128.22 1spu h ASP 25 Ca -0.12 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.30 1spu h ASP 25 Cb 1.04 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.01 1spu h ASP 25 CO 0.57 0.29 -0.42 0.22 -2.88 0.00 0.00 179.24 177.03 1spu h TYR 26 N 0.51 -1.11 0.00 0.28 3.20 -1.96 -3.09 116.97 114.80 1spu h TYR 26 Ca 0.17 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1spu h TYR 26 Cb 0.01 0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1spu h TYR 26 CO -0.07 -0.62 0.00 0.00 -1.64 0.00 0.00 178.16 175.83 1spu n ALA 27 N -2.63 2.06 -3.57 1.82 0.00 -1.19 -4.91 120.51 112.09 1spu n ALA 27 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 1spu n ALA 27 Cb 0.43 -1.43 0.07 0.00 0.00 0.00 0.00 19.45 18.51 1spu n ALA 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1spu n GLN 28 N -2.15 -6.65 -4.15 0.00 1.13 0.52 -4.99 117.38 101.10 1spu n GLN 28 Ca 0.05 0.78 -0.16 0.00 -1.94 0.00 0.00 57.00 55.73 1spu n GLN 28 Cb 0.35 -5.72 -0.12 0.00 0.11 0.00 0.00 30.24 24.85 1spu n GLN 28 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1spu s LEU 29 N -6.79 2.19 -0.14 1.08 2.96 -0.12 -4.25 118.68 113.61 1spu s LEU 29 Ca 0.24 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.65 1spu s LEU 29 Cb -0.11 -0.31 -0.03 0.00 0.50 0.00 0.00 46.19 46.24 1spu s LEU 29 CO 0.75 -0.09 0.01 -0.36 -1.32 0.00 0.00 176.35 175.35 1spu s PHE 30 N -1.02 3.16 -0.15 5.38 0.08 0.15 0.62 117.98 126.20 1spu s PHE 30 Ca -0.05 0.00 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 1spu s PHE 30 Cb -0.08 -1.95 -0.01 0.00 -0.57 0.00 0.00 43.02 40.41 1spu s PHE 30 CO 0.01 0.21 -0.12 0.99 -0.10 0.00 0.00 175.22 176.20 1spu s THR 31 N -0.06 2.96 -0.08 0.64 2.01 0.36 -0.98 115.64 120.50 1spu s THR 31 Ca 0.04 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.41 1spu s THR 31 Cb -0.13 -2.27 -0.00 0.00 0.01 0.00 0.00 72.50 70.12 1spu s THR 31 CO 0.02 0.50 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.48 1spu s LEU 32 N 0.72 1.99 -0.07 4.42 1.43 0.14 -0.51 118.68 126.80 1spu s LEU 32 Ca -0.06 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1spu s LEU 32 Cb -0.15 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.82 1spu s LEU 32 CO 0.02 0.16 -0.18 -0.63 0.23 0.00 0.00 176.35 175.95 1spu s ILE 33 N 0.21 1.54 -0.29 -0.59 1.01 -0.52 0.58 121.20 123.14 1spu s ILE 33 Ca -0.12 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.80 1spu s ILE 33 Cb -0.16 -1.34 0.18 0.00 0.01 0.00 0.00 42.46 41.15 1spu s ILE 33 CO 0.06 0.44 0.56 -0.75 0.00 0.00 0.00 174.94 175.25 1spu s LYS 34 N 0.33 0.53 7.46 2.79 2.20 -0.40 -1.49 119.74 131.16 1spu s LYS 34 Ca -0.12 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 56.29 1spu s LYS 34 Cb -0.15 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 1spu s LYS 34 CO 0.05 -0.74 0.00 -0.25 -0.36 0.00 0.00 175.35 174.05 1spu n ASP 35 N 5.41 0.00 0.00 1.43 8.00 -1.26 -1.61 116.55 128.53 1spu n ASP 35 Ca 0.00 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.58 1spu n ASP 35 Cb 0.51 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 41.96 1spu n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1spu n GLY 36 N 0.00 -1.04 3.62 0.44 0.00 -1.26 -4.78 105.19 102.17 1spu n GLY 36 Ca 0.00 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1spu n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spu s ALA 37 N -2.97 3.57 -0.26 4.61 0.00 -0.63 -4.37 121.76 121.70 1spu s ALA 37 Ca 0.08 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1spu s ALA 37 Cb 0.10 -2.75 0.04 0.00 0.00 0.00 0.00 23.12 20.52 1spu s ALA 37 CO 0.29 -0.63 -0.08 -0.47 0.00 0.00 0.00 175.76 174.87 1spu s TYR 38 N 2.02 3.16 0.00 0.00 6.14 -1.26 -1.28 117.35 126.14 1spu s TYR 38 Ca 0.17 -1.95 0.06 0.00 0.64 0.00 0.00 57.07 55.99 1spu s TYR 38 Cb -0.16 -2.00 -0.03 0.00 0.42 0.00 0.00 41.96 40.19 1spu s TYR 38 CO 0.09 -0.82 -0.18 0.08 0.64 0.00 0.00 175.55 175.36 1spu s VAL 39 N 1.21 2.74 -0.09 3.14 1.01 0.20 -1.04 120.40 127.57 1spu s VAL 39 Ca -0.04 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.93 1spu s VAL 39 Cb -0.18 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.12 1spu s VAL 39 CO -0.05 0.46 -0.14 -0.54 0.00 0.00 0.00 175.10 174.84 1spu s LYS 40 N -1.06 1.98 -0.12 2.72 1.02 -0.34 0.23 119.74 124.16 1spu s LYS 40 Ca 0.13 -0.49 -0.08 0.00 0.02 0.00 0.00 55.97 55.55 1spu s LYS 40 Cb -0.10 -1.67 0.04 0.00 -0.52 0.00 0.00 37.83 35.58 1spu s LYS 40 CO 0.03 -0.03 0.30 0.54 -0.92 0.00 0.00 175.35 175.27 1spu s VAL 41 N 0.87 -0.02 -0.18 3.17 0.11 -0.15 -0.38 120.40 123.82 1spu s VAL 41 Ca -0.10 0.08 -0.06 0.00 -2.93 0.00 0.00 61.98 58.97 1spu s VAL 41 Cb -0.15 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 1spu s VAL 41 CO 0.01 0.03 0.03 -0.54 -3.33 0.00 0.00 175.10 171.30 1spu s LYS 42 N 0.84 3.82 0.25 1.54 1.02 -1.26 0.33 119.74 126.29 1spu s LYS 42 Ca -0.06 -0.43 -0.30 0.00 0.02 0.00 0.00 55.97 55.21 1spu s LYS 42 Cb -0.07 -3.11 -0.14 0.00 -0.52 0.00 0.00 37.83 33.99 1spu s LYS 42 CO -0.06 0.21 1.27 -2.30 -0.92 0.00 0.00 175.35 173.55 1spu n PRO 43 N 3.70 1.76 0.00 -1.68 -0.02 -1.26 -1.20 135.00 136.30 1spu n PRO 43 Ca -0.17 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1spu n PRO 43 Cb 0.52 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1spu n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1spu n GLY 44 N 1.70 3.04 3.77 -1.23 0.00 0.17 -4.93 105.19 107.70 1spu n GLY 44 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1spu n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spu s ALA 45 N -1.29 3.49 -1.44 4.61 0.00 -0.34 -4.84 121.76 121.94 1spu s ALA 45 Ca 0.00 1.19 0.15 0.00 0.00 0.00 0.00 51.96 53.30 1spu s ALA 45 Cb 0.00 -3.45 0.54 0.00 0.00 0.00 0.00 23.12 20.20 1spu s ALA 45 CO 0.00 -0.55 1.42 0.00 0.00 0.00 0.00 175.76 176.63 1spu n GLN 46 N 0.99 2.88 -3.82 0.00 10.64 -1.26 -4.36 117.38 122.45 1spu n GLN 46 Ca 0.00 -2.13 -0.12 0.00 -1.83 0.00 0.00 57.00 52.91 1spu n GLN 46 Cb 0.42 -1.66 -0.12 0.00 -0.86 0.00 0.00 30.24 28.02 1spu n GLN 46 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1spu s THR 47 N -1.64 0.01 0.15 -0.39 2.01 -1.26 -1.17 115.64 113.35 1spu s THR 47 Ca 0.39 -0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.38 1spu s THR 47 Cb 0.24 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.42 1spu s THR 47 CO 0.21 -0.05 -0.18 0.00 -0.69 0.00 0.00 174.62 173.91 1spu s ALA 48 N -0.09 1.89 -0.17 7.40 0.00 0.11 -4.57 121.76 126.33 1spu s ALA 48 Ca -0.02 -1.43 -0.04 0.00 0.00 0.00 0.00 51.96 50.48 1spu s ALA 48 Cb -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1spu s ALA 48 CO 0.00 0.22 -0.03 0.42 0.00 0.00 0.00 175.76 176.37 1spu s ILE 49 N -1.98 3.81 -0.25 0.00 -1.09 0.49 -0.12 121.20 122.07 1spu s ILE 49 Ca 0.13 -0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.20 1spu s ILE 49 Cb -0.06 -2.68 0.06 0.00 -1.58 0.00 0.00 42.46 38.19 1spu s ILE 49 CO 0.06 0.47 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.44 1spu s VAL 50 N 0.61 2.04 -1.37 2.92 1.01 0.19 -1.20 120.40 124.60 1spu s VAL 50 Ca -0.02 -1.50 -0.06 0.00 0.00 0.00 0.00 61.98 60.40 1spu s VAL 50 Cb -0.14 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.11 1spu s VAL 50 CO 0.02 0.01 0.90 0.59 0.00 0.00 0.00 175.10 176.62 1spu n ASN 51 N 4.49 -3.16 0.00 3.32 5.03 -0.20 -0.78 115.26 123.96 1spu n ASN 51 Ca -0.14 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.57 1spu n ASN 51 Cb 0.43 -4.30 0.00 0.00 -1.02 0.00 0.00 39.78 34.89 1spu n ASN 51 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1spu n GLY 52 N -1.61 0.71 3.59 7.41 0.00 -1.21 -4.65 105.19 109.42 1spu n GLY 52 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1spu n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1spu s GLN 53 N -0.28 3.07 0.30 1.61 -1.52 0.04 -5.08 119.66 117.80 1spu s GLN 53 Ca 0.00 -0.50 -0.29 0.00 -1.95 0.00 0.00 55.36 52.62 1spu s GLN 53 Cb 0.00 -2.74 -0.10 0.00 -0.22 0.00 0.00 33.01 29.96 1spu s GLN 53 CO 0.00 0.56 1.12 -1.25 -0.25 0.00 0.00 175.29 175.47 1spu s PRO 54 N -0.51 4.55 -0.12 2.91 0.04 -1.26 0.56 135.00 141.16 1spu s PRO 54 Ca 0.08 1.84 -0.02 0.00 0.04 0.00 0.00 61.00 62.94 1spu s PRO 54 Cb -0.12 -3.11 0.04 0.00 0.04 0.00 0.00 34.50 31.35 1spu s PRO 54 CO 0.02 0.12 0.02 -1.17 0.04 0.00 0.00 177.00 176.03 1spu s LEU 55 N -1.60 0.78 0.21 -3.56 2.96 0.82 -4.88 118.68 113.41 1spu s LEU 55 Ca 0.46 -0.39 -0.30 0.00 -0.22 0.00 0.00 54.13 53.68 1spu s LEU 55 Cb -0.32 -0.48 -0.09 0.00 0.50 0.00 0.00 46.19 45.80 1spu s LEU 55 CO 0.42 -0.25 1.39 0.00 -1.32 0.00 0.00 176.35 176.59 1spu s ALA 56 N 1.95 3.59 -0.20 5.97 0.00 -1.26 -0.71 121.76 131.09 1spu s ALA 56 Ca 0.03 1.22 -0.03 0.00 0.00 0.00 0.00 51.96 53.18 1spu s ALA 56 Cb -0.14 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 1spu s ALA 56 CO -0.06 -0.65 -0.08 -0.51 0.00 0.00 0.00 175.76 174.46 1spu s LEU 57 N -0.05 2.77 0.11 0.00 1.43 -0.32 -4.92 118.68 117.71 1spu s LEU 57 Ca 0.59 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 1spu s LEU 57 Cb -0.39 -1.68 -0.12 0.00 0.03 0.00 0.00 46.19 44.02 1spu s LEU 57 CO 0.39 0.02 1.35 -0.61 0.23 0.00 0.00 176.35 177.73 1spu h GLN 58 N 7.80 0.83 -4.41 1.70 4.15 -1.95 -3.40 115.11 119.83 1spu h GLN 58 Ca -0.39 -0.61 -0.71 0.00 0.77 0.00 0.00 58.65 57.71 1spu h GLN 58 Cb 1.17 0.11 -0.32 0.00 0.21 0.00 0.00 27.48 28.64 1spu h GLN 58 CO 0.60 1.23 -0.48 0.08 -1.93 0.00 0.00 178.83 178.33 1spu s VAL 59 N -3.91 3.70 0.89 2.39 1.01 -1.26 -5.05 120.40 118.16 1spu s VAL 59 Ca -0.10 -1.90 -0.11 0.00 0.00 0.00 0.00 61.98 59.86 1spu s VAL 59 Cb 0.09 -3.47 0.13 0.00 0.00 0.00 0.00 36.38 33.13 1spu s VAL 59 CO 0.90 -0.71 1.10 -2.84 0.00 0.00 0.00 175.10 173.55 1spu s PRO 60 N 1.25 1.30 0.26 2.72 0.02 -1.26 -4.69 135.00 134.59 1spu s PRO 60 Ca 0.07 1.15 -0.30 0.00 0.02 0.00 0.00 61.00 61.94 1spu s PRO 60 Cb -0.24 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 1spu s PRO 60 CO -0.02 -2.30 1.15 0.08 -0.33 0.00 0.00 177.00 175.57 1spu s VAL 61 N -2.80 3.43 -0.13 3.83 1.01 -1.26 -4.78 120.40 119.70 1spu s VAL 61 Ca 0.64 1.36 0.01 0.00 0.00 0.00 0.00 61.98 64.00 1spu s VAL 61 Cb -0.20 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1spu s VAL 61 CO 0.58 0.29 -0.17 -0.69 0.00 0.00 0.00 175.10 175.11 1spu s VAL 62 N -0.84 2.64 -0.46 2.92 1.01 0.10 0.41 120.40 126.18 1spu s VAL 62 Ca 0.47 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 1spu s VAL 62 Cb -0.33 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.01 1spu s VAL 62 CO 0.41 0.53 0.53 -0.04 0.00 0.00 0.00 175.10 176.54 1spu s MET 63 N 0.46 3.12 -0.20 2.72 -1.94 -1.26 0.61 119.30 122.81 1spu s MET 63 Ca -0.12 -0.81 -0.01 0.00 -1.71 0.00 0.00 55.69 53.05 1spu s MET 63 Cb -0.16 -4.03 0.05 0.00 2.01 0.00 0.00 34.83 32.70 1spu s MET 63 CO 0.05 -1.03 -0.03 0.21 -0.01 0.00 0.00 175.02 174.22 1spu s LYS 64 N 2.37 1.31 -1.15 2.03 2.20 0.79 -4.67 119.74 122.62 1spu s LYS 64 Ca 0.14 -0.71 -0.06 0.00 -0.36 0.00 0.00 55.97 54.98 1spu s LYS 64 Cb -0.18 -2.30 0.01 0.00 -1.51 0.00 0.00 37.83 33.84 1spu s LYS 64 CO 0.13 -0.56 0.77 -3.47 -0.36 0.00 0.00 175.35 171.85 1spu n ASP 65 N 4.83 -5.41 0.00 1.43 2.03 -1.26 -2.33 116.55 115.84 1spu n ASP 65 Ca -0.11 -0.35 0.00 0.00 0.52 0.00 0.00 54.79 54.85 1spu n ASP 65 Cb 0.46 -4.11 0.00 0.00 -0.72 0.00 0.00 41.12 36.75 1spu n ASP 65 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1spu n ASN 66 N -1.93 -2.25 -4.33 1.67 4.05 -1.26 -5.04 115.26 106.17 1spu n ASN 66 Ca -0.03 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.68 1spu n ASN 66 Cb 0.57 -0.37 -0.16 0.00 1.23 0.00 0.00 39.78 41.05 1spu n ASN 66 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1spu s LYS 67 N -0.22 2.32 0.02 1.20 2.20 -0.98 -5.12 119.74 119.16 1spu s LYS 67 Ca 0.00 -0.88 -0.11 0.00 -0.36 0.00 0.00 55.97 54.62 1spu s LYS 67 Cb 0.00 -2.14 -0.05 0.00 -1.51 0.00 0.00 37.83 34.12 1spu s LYS 67 CO 0.00 0.51 0.37 0.00 -0.36 0.00 0.00 175.35 175.87 1spu s ALA 68 N -0.48 3.74 0.00 3.13 0.00 -1.26 0.28 121.76 127.17 1spu s ALA 68 Ca 0.06 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 51.71 1spu s ALA 68 Cb -0.11 -2.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.72 1spu s ALA 68 CO 0.01 0.54 -0.13 -1.58 0.00 0.00 0.00 175.76 174.60 1spu s TRP 69 N -1.22 1.16 0.08 0.00 0.52 0.20 -0.93 118.94 118.77 1spu s TRP 69 Ca 0.27 -0.26 0.01 0.00 0.02 0.00 0.00 56.10 56.14 1spu s TRP 69 Cb -0.15 -0.73 -0.04 0.00 -1.15 0.00 0.00 33.47 31.40 1spu s TRP 69 CO 0.14 -0.00 -0.06 0.14 0.02 0.00 0.00 176.95 177.19 1spu s VAL 70 N -0.46 0.55 0.60 4.03 -7.23 0.28 0.02 120.40 118.19 1spu s VAL 70 Ca 0.04 -1.83 -0.19 0.00 -1.81 0.00 0.00 61.98 58.19 1spu s VAL 70 Cb -0.06 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.30 1spu s VAL 70 CO -0.00 -0.87 1.22 -0.55 -0.31 0.00 0.00 175.10 174.59 1spu s SER 71 N -2.90 5.14 0.44 4.85 0.15 -1.26 -0.28 113.70 119.84 1spu s SER 71 Ca 0.09 2.42 0.30 0.00 0.70 0.00 0.00 55.95 59.46 1spu s SER 71 Cb 0.05 -2.60 1.57 0.00 -1.71 0.00 0.00 66.02 63.32 1spu s SER 71 CO -0.06 -1.63 1.92 -2.24 1.20 0.00 0.00 173.24 172.43 1spu h ASP 72 N 0.87 0.00 -0.02 5.45 2.03 -1.40 -1.14 116.42 122.21 1spu h ASP 72 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 1spu h ASP 72 Cb 1.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 1spu h ASP 72 CO 0.55 0.00 -0.37 0.35 -1.03 0.00 0.00 179.24 178.74 1spu n THR 73 N -2.57 0.00 0.06 1.15 -2.24 -1.26 -4.70 114.28 104.72 1spu n THR 73 Ca -0.01 -0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 61.31 1spu n THR 73 Cb 0.09 1.28 -0.09 0.00 -2.10 0.00 0.00 70.33 69.51 1spu n THR 73 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1spu h PHE 74 N 2.62 -1.38 -0.69 4.78 3.57 -1.55 -1.18 116.94 123.10 1spu h PHE 74 Ca 0.00 0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.69 1spu h PHE 74 Cb 0.74 0.60 -0.11 0.00 2.79 0.00 0.00 35.95 39.97 1spu h PHE 74 CO 0.00 -0.51 0.12 0.82 -2.23 0.00 0.00 178.31 176.51 1spu h ILE 75 N -0.61 0.51 -0.22 1.41 2.04 -1.84 -0.58 117.51 118.23 1spu h ILE 75 Ca 0.01 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 1spu h ILE 75 Cb 0.65 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1spu h ILE 75 CO -0.30 0.04 -0.16 -1.13 0.00 0.00 0.00 178.15 176.60 1spu h ASN 76 N 0.22 0.52 -0.58 1.72 -1.24 -1.84 0.16 115.58 114.54 1spu h ASN 76 Ca 0.38 -0.45 -0.09 0.00 0.71 0.00 0.00 56.30 56.85 1spu h ASN 76 Cb 0.64 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 1spu h ASN 76 CO -0.51 0.86 0.02 0.44 -1.29 0.00 0.00 177.43 176.94 1spu h ASP 77 N 0.18 0.98 0.00 1.15 3.32 -0.72 -1.18 116.42 120.16 1spu h ASP 77 Ca 0.04 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1spu h ASP 77 Cb 0.69 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1spu h ASP 77 CO 0.04 1.04 -0.05 0.58 -1.72 0.00 0.00 179.24 179.14 1spu h VAL 78 N 0.90 0.00 -0.28 -1.35 2.07 -1.19 -3.05 116.25 113.35 1spu h VAL 78 Ca 0.17 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1spu h VAL 78 Cb 0.53 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1spu h VAL 78 CO 0.03 0.00 0.11 -0.26 0.02 0.00 0.00 177.57 177.47 1spu h PHE 79 N -0.91 0.43 -1.90 1.57 0.04 -0.81 -2.74 116.94 112.62 1spu h PHE 79 Ca 0.00 -0.03 -0.74 0.00 2.80 0.00 0.00 57.97 60.00 1spu h PHE 79 Cb 0.05 -0.13 -0.26 0.00 2.20 0.00 0.00 35.95 37.81 1spu h PHE 79 CO -0.02 0.43 1.00 1.04 -0.60 0.00 0.00 178.31 180.16 1spu n GLN 80 N -4.76 2.88 0.13 1.51 3.00 -0.44 -4.54 117.38 115.16 1spu n GLN 80 Ca -0.02 -3.45 -0.23 0.00 -0.01 0.00 0.00 57.00 53.29 1spu n GLN 80 Cb 0.13 -2.27 -0.15 0.00 0.00 0.00 0.00 30.24 27.95 1spu n GLN 80 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1spu h SER 81 N 3.08 0.73 0.00 1.08 4.64 -1.37 -3.44 113.55 118.29 1spu h SER 81 Ca 0.55 -0.80 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1spu h SER 81 Cb 0.12 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1spu h SER 81 CO 1.36 1.63 0.00 0.61 -0.87 0.00 0.00 176.83 179.56 1spu n GLY 82 N 1.68 0.89 0.20 -0.77 0.00 -1.26 -4.92 105.19 101.01 1spu n GLY 82 Ca -0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.96 1spu n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1spu h LEU 83 N 0.00 0.00 -8.47 0.99 3.38 -1.90 -3.37 115.31 105.94 1spu h LEU 83 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1spu h LEU 83 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 1spu h LEU 83 CO 0.00 0.22 0.34 -0.62 0.09 0.00 0.00 178.44 178.47 1spu s ASP 84 N -6.22 6.30 -0.04 -0.43 2.15 -1.26 -4.72 116.67 112.45 1spu s ASP 84 Ca 0.04 -0.54 0.19 0.00 0.43 0.00 0.00 52.55 52.66 1spu s ASP 84 Cb 0.08 -2.37 0.61 0.00 -0.30 0.00 0.00 42.92 40.93 1spu s ASP 84 CO 0.67 -1.06 1.51 0.00 -0.17 0.00 0.00 175.17 176.12 1spu n GLN 85 N 6.88 2.93 -0.08 4.34 6.02 -1.26 -4.60 117.38 131.62 1spu n GLN 85 Ca -0.01 -2.45 -0.07 0.00 -0.01 0.00 0.00 57.00 54.46 1spu n GLN 85 Cb 0.47 -1.65 -0.00 0.00 1.02 0.00 0.00 30.24 30.07 1spu n GLN 85 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1spu h THR 86 N 3.77 0.51 -3.42 5.09 2.02 -1.89 -3.41 112.91 115.58 1spu h THR 86 Ca 0.00 0.00 -0.61 0.00 0.77 0.00 0.00 66.41 66.57 1spu h THR 86 Cb 1.07 0.51 -0.15 0.00 -1.74 0.00 0.00 68.15 67.85 1spu h THR 86 CO 0.09 0.00 -0.52 -0.36 0.37 0.00 0.00 175.52 175.10 1spu s PHE 87 N -6.15 3.31 0.33 3.16 0.08 -1.26 0.20 117.98 117.66 1spu s PHE 87 Ca -0.14 0.18 0.10 0.00 0.12 0.00 0.00 56.93 57.19 1spu s PHE 87 Cb 0.13 -2.19 -0.06 0.00 -0.57 0.00 0.00 43.02 40.33 1spu s PHE 87 CO 0.69 0.13 -0.10 -0.65 -0.10 0.00 0.00 175.22 175.20 1spu s GLN 88 N 0.72 1.84 -0.22 0.44 -1.52 0.23 -4.94 119.66 116.20 1spu s GLN 88 Ca 0.06 -1.88 -0.13 0.00 -1.95 0.00 0.00 55.36 51.47 1spu s GLN 88 Cb -0.13 -1.75 -0.05 0.00 -0.22 0.00 0.00 33.01 30.87 1spu s GLN 88 CO 0.02 0.17 0.25 0.08 -0.25 0.00 0.00 175.29 175.56 1spu s VAL 89 N -2.58 5.30 0.08 1.09 1.01 -1.26 -2.29 120.40 121.74 1spu s VAL 89 Ca 0.32 0.38 -0.31 0.00 0.00 0.00 0.00 61.98 62.38 1spu s VAL 89 Cb 0.01 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 1spu s VAL 89 CO 0.17 0.31 1.36 -0.70 0.00 0.00 0.00 175.10 176.24 1spu s GLU 90 N 1.14 4.33 -0.11 2.72 2.12 -1.26 -4.87 118.70 122.78 1spu s GLU 90 Ca 0.12 2.00 -0.02 0.00 0.36 0.00 0.00 54.97 57.43 1spu s GLU 90 Cb -0.14 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 1spu s GLU 90 CO 0.06 -0.44 -0.04 0.87 -0.54 0.00 0.00 175.26 175.17 1spu h LYS 91 N 7.06 0.00 -4.64 4.30 1.57 -1.96 -3.44 116.57 119.45 1spu h LYS 91 Ca -0.41 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 57.66 1spu h LYS 91 Cb 1.20 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.31 1spu h LYS 91 CO 0.86 0.00 -0.32 0.50 -0.57 0.00 0.00 179.45 179.93 1spu s ARG 92 N -1.69 3.02 0.25 3.15 3.52 -1.26 -5.05 118.95 120.89 1spu s ARG 92 Ca -0.03 -0.94 -0.31 0.00 -0.13 0.00 0.00 55.73 54.32 1spu s ARG 92 Cb 0.00 -3.99 -0.13 0.00 -1.56 0.00 0.00 34.95 29.28 1spu s ARG 92 CO 0.05 -0.83 1.49 -2.30 -0.81 0.00 0.00 175.30 172.90 1spu n PRO 93 N 5.37 2.25 -2.42 5.12 -0.02 -1.26 -4.94 135.00 139.10 1spu n PRO 93 Ca -0.09 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 1spu n PRO 93 Cb 0.47 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 1spu n PRO 93 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1spu s HIS 94 N 0.09 3.49 0.57 6.00 2.46 -1.26 -4.93 115.29 121.71 1spu s HIS 94 Ca 0.68 1.54 0.26 0.00 0.47 0.00 0.00 55.06 58.01 1spu s HIS 94 Cb -0.60 -3.37 1.56 0.00 -0.13 0.00 0.00 32.58 30.04 1spu s HIS 94 CO 0.48 -0.92 2.10 -1.00 -2.47 0.00 0.00 174.74 172.93 1spu h PRO 95 N 4.73 0.00 -0.22 2.88 0.13 -1.95 -2.05 132.00 135.51 1spu h PRO 95 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1spu h PRO 95 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1spu h PRO 95 CO 0.71 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.76 1spu n LEU 96 N -4.02 2.30 -4.73 1.56 4.77 -1.26 -4.81 117.00 110.81 1spu n LEU 96 Ca 0.02 -0.96 -0.42 0.00 -0.03 0.00 0.00 56.01 54.62 1spu n LEU 96 Cb 0.32 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1spu n LEU 96 CO 0.30 0.48 1.07 0.59 -1.33 0.00 0.00 177.39 178.50 1spu n ASN 97 N 0.74 3.34 -4.73 -1.43 3.02 -0.77 -4.90 115.26 110.53 1spu n ASN 97 Ca 0.17 1.19 -0.31 0.00 -0.03 0.00 0.00 54.58 55.60 1spu n ASN 97 Cb 0.43 -1.54 0.12 0.00 -0.61 0.00 0.00 39.78 38.18 1spu n ASN 97 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1spu s ALA 98 N -0.69 1.85 0.30 5.41 0.00 -1.26 -4.91 121.76 122.46 1spu s ALA 98 Ca 0.59 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.54 1spu s ALA 98 Cb -0.54 -3.31 -0.12 0.00 0.00 0.00 0.00 23.12 19.15 1spu s ALA 98 CO 0.58 -2.19 1.40 1.28 0.00 0.00 0.00 175.76 176.82 1spu n LEU 99 N -3.82 3.65 -4.88 0.00 4.77 -1.26 -4.97 117.00 110.49 1spu n LEU 99 Ca 0.09 1.18 -0.30 0.00 -0.03 0.00 0.00 56.01 56.95 1spu n LEU 99 Cb 0.53 -1.50 0.07 0.00 -2.33 0.00 0.00 43.42 40.20 1spu n LEU 99 CO 0.53 -0.32 0.76 0.42 -1.33 0.00 0.00 177.39 177.45 1spu s THR 100 N -0.57 2.75 0.54 -5.08 -4.23 -1.26 -4.83 115.64 102.97 1spu s THR 100 Ca 0.61 0.24 0.22 0.00 -1.18 0.00 0.00 61.69 61.58 1spu s THR 100 Cb -0.57 -3.21 0.30 0.00 1.34 0.00 0.00 72.50 70.35 1spu s THR 100 CO 0.56 -0.32 2.18 0.00 -0.54 0.00 0.00 174.62 176.50 1spu h ALA 101 N -0.90 1.75 -0.19 3.99 0.00 -1.94 -0.88 119.26 121.09 1spu h ALA 101 Ca -0.46 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 1spu h ALA 101 Cb 1.29 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1spu h ALA 101 CO 0.64 0.02 -0.30 -0.44 0.00 0.00 0.00 179.25 179.17 1spu h ASP 102 N 0.00 0.60 -0.41 0.00 3.32 -2.00 -2.16 116.42 115.78 1spu h ASP 102 Ca -0.00 -0.52 -0.08 0.00 0.02 0.00 0.00 57.03 56.45 1spu h ASP 102 Cb 0.03 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1spu h ASP 102 CO 0.00 1.01 -0.02 -0.33 -1.72 0.00 0.00 179.24 178.17 1spu h GLU 103 N 0.21 0.82 -0.04 3.56 5.08 -1.78 -0.85 114.58 121.57 1spu h GLU 103 Ca 0.02 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1spu h GLU 103 Cb 0.88 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1spu h GLU 103 CO 0.07 0.84 0.03 0.82 -1.00 0.00 0.00 179.01 179.76 1spu h ILE 104 N 0.75 1.04 -0.84 3.13 2.04 -1.03 0.12 117.51 122.72 1spu h ILE 104 Ca 0.14 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1spu h ILE 104 Cb 0.49 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1spu h ILE 104 CO 0.02 0.03 0.41 0.11 0.00 0.00 0.00 178.15 178.72 1spu h LYS 105 N 0.03 1.22 -0.65 2.37 1.57 -1.23 -1.77 116.57 118.10 1spu h LYS 105 Ca 0.02 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1spu h LYS 105 Cb 0.03 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1spu h LYS 105 CO -0.00 0.93 0.32 0.37 -0.57 0.00 0.00 179.45 180.50 1spu h GLN 106 N 1.20 0.94 -0.34 3.15 4.15 -0.89 -1.20 115.11 122.12 1spu h GLN 106 Ca 0.29 -0.14 -0.15 0.00 0.77 0.00 0.00 58.65 59.43 1spu h GLN 106 Cb 0.12 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.63 1spu h GLN 106 CO -0.04 0.74 -0.37 0.00 -1.93 0.00 0.00 178.83 177.24 1spu h ALA 107 N 1.15 0.50 -0.27 3.38 0.00 -0.47 -2.47 119.26 121.07 1spu h ALA 107 Ca 0.23 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1spu h ALA 107 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1spu h ALA 107 CO -0.03 0.58 -0.16 0.28 0.00 0.00 0.00 179.25 179.92 1spu h VAL 108 N 0.63 1.24 -0.04 0.00 2.07 -1.06 -2.67 116.25 116.42 1spu h VAL 108 Ca 0.05 -1.08 -0.16 0.00 0.82 0.00 0.00 66.70 66.32 1spu h VAL 108 Cb 0.96 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1spu h VAL 108 CO 0.09 0.35 -0.71 -0.33 0.02 0.00 0.00 177.57 176.99 1spu h GLU 109 N 0.43 0.21 0.22 1.57 5.08 -1.19 -1.67 114.58 119.23 1spu h GLU 109 Ca 0.08 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1spu h GLU 109 Cb 0.54 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1spu h GLU 109 CO 0.03 0.83 -0.10 0.82 -1.00 0.00 0.00 179.01 179.59 1spu h ILE 110 N 0.14 0.86 0.00 3.13 2.04 -1.15 -2.44 117.51 120.10 1spu h ILE 110 Ca -0.02 -0.65 -0.09 0.00 1.00 0.00 0.00 64.86 65.10 1spu h ILE 110 Cb 1.26 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1spu h ILE 110 CO 0.11 0.14 -0.41 -0.37 0.00 0.00 0.00 178.15 177.62 1spu h VAL 111 N -0.63 1.23 0.00 1.67 -1.51 -1.53 -2.84 116.25 112.64 1spu h VAL 111 Ca -0.03 -1.44 -0.09 0.00 -1.23 0.00 0.00 66.70 63.91 1spu h VAL 111 Cb 0.45 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 1spu h VAL 111 CO 0.05 0.40 -0.42 0.11 -1.23 0.00 0.00 177.57 176.48 1spu h LYS 112 N 0.00 0.00 -0.12 5.19 1.57 -1.27 -2.20 116.57 119.74 1spu h LYS 112 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1spu h LYS 112 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1spu h LYS 112 CO 0.05 0.42 0.00 0.00 -0.57 0.00 0.00 179.45 179.35 1spu n ALA 113 N -2.42 2.53 -1.78 3.86 0.00 -0.92 -4.82 120.51 116.96 1spu n ALA 113 Ca -0.01 -0.54 -0.37 0.00 0.00 0.00 0.00 53.44 52.51 1spu n ALA 113 Cb 0.46 -1.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 1spu n ALA 113 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1spu s SER 114 N -1.74 7.01 0.20 0.00 0.15 -0.83 -4.98 113.70 113.53 1spu s SER 114 Ca 0.34 1.97 -0.10 0.00 0.70 0.00 0.00 55.95 58.87 1spu s SER 114 Cb 0.19 -2.59 0.22 0.00 -1.71 0.00 0.00 66.02 62.14 1spu s SER 114 CO 0.29 -0.31 1.80 0.00 1.20 0.00 0.00 173.24 176.22 1spu h ALA 115 N 2.83 0.82 -0.00 5.45 0.00 -1.89 -2.78 119.26 123.69 1spu h ALA 115 Ca -0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1spu h ALA 115 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1spu h ALA 115 CO 0.64 -0.01 -0.28 -0.25 0.00 0.00 0.00 179.25 179.34 1spu n ASP 116 N -4.83 0.69 -4.69 0.00 9.92 -1.26 -4.93 116.55 111.45 1spu n ASP 116 Ca 0.07 -0.55 -0.44 0.00 -0.53 0.00 0.00 54.79 53.34 1spu n ASP 116 Cb 0.18 0.09 -0.03 0.00 -0.64 0.00 0.00 41.12 40.71 1spu n ASP 116 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1spu n PHE 117 N -1.01 2.47 -4.52 1.24 7.35 -1.05 -4.98 117.46 116.95 1spu n PHE 117 Ca 0.10 0.22 -0.34 0.00 -0.76 0.00 0.00 57.45 56.68 1spu n PHE 117 Cb 0.33 -2.58 -0.12 0.00 0.35 0.00 0.00 39.48 37.46 1spu n PHE 117 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1spu s LYS 118 N 0.67 3.28 0.62 -4.13 -0.14 -1.26 -4.99 119.74 113.80 1spu s LYS 118 Ca 0.75 -0.54 -0.19 0.00 -1.36 0.00 0.00 55.97 54.63 1spu s LYS 118 Cb -0.60 -2.76 -0.02 0.00 -1.68 0.00 0.00 37.83 32.76 1spu s LYS 118 CO 0.39 0.41 1.29 -2.30 -0.76 0.00 0.00 175.35 174.37 1spu n PRO 119 N 3.00 1.22 -1.00 -1.68 -0.02 -1.26 -2.18 135.00 133.08 1spu n PRO 119 Ca -0.18 0.47 -0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1spu n PRO 119 Cb 0.53 -2.52 -0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1spu n PRO 119 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1spu n ASN 120 N -1.64 -3.48 -4.77 2.55 3.02 -1.26 -5.01 115.26 104.68 1spu n ASN 120 Ca 0.15 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.31 1spu n ASN 120 Cb 0.47 -0.99 -0.02 0.00 -0.61 0.00 0.00 39.78 38.63 1spu n ASN 120 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1spu s THR 121 N -1.85 3.16 0.30 3.41 2.01 -0.93 -4.50 115.64 117.24 1spu s THR 121 Ca 0.00 1.00 0.09 0.00 0.31 0.00 0.00 61.69 63.10 1spu s THR 121 Cb 0.00 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 1spu s THR 121 CO 0.00 0.12 -0.00 -0.13 -0.69 0.00 0.00 174.62 173.92 1spu s ARG 122 N -2.19 2.17 -0.39 4.92 0.52 0.19 -4.93 118.95 119.24 1spu s ARG 122 Ca 0.55 -1.58 -0.04 0.00 -0.52 0.00 0.00 55.73 54.14 1spu s ARG 122 Cb -0.31 -2.05 0.09 0.00 0.52 0.00 0.00 34.95 33.20 1spu s ARG 122 CO 0.40 0.25 0.18 -0.06 0.02 0.00 0.00 175.30 176.09 1spu s PHE 123 N -2.42 3.46 0.20 -0.53 0.08 0.19 -0.74 117.98 118.21 1spu s PHE 123 Ca 0.33 -2.07 -0.04 0.00 0.12 0.00 0.00 56.93 55.27 1spu s PHE 123 Cb -0.04 -2.94 0.13 0.00 -0.57 0.00 0.00 43.02 39.61 1spu s PHE 123 CO 0.20 -0.91 1.55 1.79 -0.10 0.00 0.00 175.22 177.74 1spu h THR 124 N 6.31 1.30 -1.85 0.64 1.35 -1.22 -3.34 112.91 116.10 1spu h THR 124 Ca -0.17 -1.62 0.04 0.00 -0.55 0.00 0.00 66.41 64.10 1spu h THR 124 Cb 1.06 1.57 -0.23 0.00 -1.73 0.00 0.00 68.15 68.82 1spu h THR 124 CO 0.68 0.52 0.16 -0.70 -0.25 0.00 0.00 175.52 175.93 1spu s GLU 125 N -4.22 0.63 -0.28 4.72 2.12 -0.99 -4.95 118.70 115.73 1spu s GLU 125 Ca -0.08 1.01 0.02 0.00 0.36 0.00 0.00 54.97 56.27 1spu s GLU 125 Cb 0.12 0.17 0.08 0.00 0.26 0.00 0.00 34.13 34.76 1spu s GLU 125 CO 0.84 -0.12 0.00 0.42 -0.54 0.00 0.00 175.26 175.86 1spu s ILE 126 N 1.28 1.66 0.06 -3.70 1.01 -1.26 -0.70 121.20 119.56 1spu s ILE 126 Ca -0.07 -1.62 0.01 0.00 0.00 0.00 0.00 60.65 58.97 1spu s ILE 126 Cb -0.05 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 1spu s ILE 126 CO -0.15 -0.36 -0.06 -0.44 0.00 0.00 0.00 174.94 173.94 1spu s SER 127 N 1.27 0.82 0.36 3.58 0.01 -0.19 -4.66 113.70 114.90 1spu s SER 127 Ca 0.02 -0.83 -0.28 0.00 1.31 0.00 0.00 55.95 56.17 1spu s SER 127 Cb -0.19 0.10 -0.11 0.00 0.21 0.00 0.00 66.02 66.04 1spu s SER 127 CO -0.10 -0.41 1.50 -0.22 0.41 0.00 0.00 173.24 174.42 1spu s LEU 128 N -2.45 4.32 -0.31 2.44 2.96 -1.26 0.17 118.68 124.55 1spu s LEU 128 Ca 0.02 3.03 -0.16 0.00 -0.22 0.00 0.00 54.13 56.80 1spu s LEU 128 Cb 0.00 -3.66 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 1spu s LEU 128 CO -0.04 -0.88 0.41 -0.22 -1.32 0.00 0.00 176.35 174.30 1spu s LEU 129 N -1.85 4.25 -0.24 -0.68 0.20 -0.48 -4.63 118.68 115.25 1spu s LEU 129 Ca 0.54 0.04 -0.39 0.00 0.69 0.00 0.00 54.13 55.01 1spu s LEU 129 Cb -0.47 -2.44 -0.15 0.00 -0.43 0.00 0.00 46.19 42.70 1spu s LEU 129 CO 0.61 -0.31 1.73 -0.81 -0.29 0.00 0.00 176.35 177.28 1spu n PRO 130 N 5.46 1.24 -1.08 0.98 -0.04 -1.26 -4.39 135.00 135.91 1spu n PRO 130 Ca -0.08 0.46 -0.30 0.00 -0.04 0.00 0.00 63.50 63.53 1spu n PRO 130 Cb 0.50 -2.15 0.13 0.00 -0.04 0.00 0.00 33.50 31.94 1spu n PRO 130 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1spu s PRO 131 N 3.40 1.51 0.14 0.54 0.02 -1.26 -4.87 135.00 134.48 1spu s PRO 131 Ca 0.97 1.14 -0.33 0.00 0.02 0.00 0.00 61.00 62.79 1spu s PRO 131 Cb -1.03 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 31.54 1spu s PRO 131 CO 0.63 -2.15 1.65 -3.47 -0.33 0.00 0.00 177.00 173.33 1spu n ASP 132 N -3.87 3.35 -0.31 2.53 2.03 -1.26 -4.83 116.55 114.19 1spu n ASP 132 Ca 0.09 1.06 0.16 0.00 0.52 0.00 0.00 54.79 56.62 1spu n ASP 132 Cb 0.53 -1.45 0.34 0.00 -0.72 0.00 0.00 41.12 39.82 1spu n ASP 132 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1spu h LYS 133 N 6.58 0.24 -0.30 -0.67 3.64 -1.99 -1.22 116.57 122.84 1spu h LYS 133 Ca -0.45 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.84 1spu h LYS 133 Cb 1.24 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1spu h LYS 133 CO 0.91 0.16 -0.09 1.49 -2.27 0.00 0.00 179.45 179.65 1spu h GLU 134 N 0.25 0.59 -0.21 1.90 4.81 -1.99 -1.01 114.58 118.92 1spu h GLU 134 Ca 0.60 -0.23 -0.10 0.00 -0.13 0.00 0.00 59.36 59.50 1spu h GLU 134 Cb 1.25 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1spu h GLU 134 CO -0.64 0.79 -0.29 0.00 -0.73 0.00 0.00 179.01 178.14 1spu h ALA 135 N 0.78 1.11 -0.37 2.92 0.00 -1.63 -1.97 119.26 120.09 1spu h ALA 135 Ca 0.07 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1spu h ALA 135 Cb 0.58 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1spu h ALA 135 CO 0.03 0.56 -0.24 0.28 0.00 0.00 0.00 179.25 179.88 1spu h VAL 136 N 0.36 1.28 -0.18 0.00 2.07 -1.19 -1.69 116.25 116.90 1spu h VAL 136 Ca 0.05 -1.39 -0.16 0.00 0.82 0.00 0.00 66.70 66.02 1spu h VAL 136 Cb 0.70 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1spu h VAL 136 CO 0.05 0.46 -0.54 -0.50 0.02 0.00 0.00 177.57 177.07 1spu h TRP 137 N 0.62 0.67 0.00 1.57 -0.00 -0.91 -1.60 115.95 116.30 1spu h TRP 137 Ca 0.08 -0.23 -0.05 0.00 -0.00 0.00 0.00 58.89 58.69 1spu h TRP 137 Cb 0.81 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.83 1spu h TRP 137 CO 0.06 0.95 -0.23 0.00 -0.00 0.00 0.00 178.44 179.23 1spu h ALA 138 N 1.00 1.35 0.01 1.49 0.00 -1.28 0.36 119.26 122.18 1spu h ALA 138 Ca 0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1spu h ALA 138 Cb 1.07 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.84 1spu h ALA 138 CO 0.10 0.29 -0.33 0.35 0.00 0.00 0.00 179.25 179.65 1spu h PHE 139 N 0.00 0.32 -0.08 0.00 3.04 -1.06 0.24 116.94 119.40 1spu h PHE 139 Ca -0.00 -0.18 -0.14 0.00 3.98 0.00 0.00 57.97 61.63 1spu h PHE 139 Cb 0.49 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 1spu h PHE 139 CO 0.00 1.00 -0.57 0.00 -2.02 0.00 0.00 178.31 176.72 1spu h ALA 140 N 0.24 0.88 0.00 2.41 0.00 -0.90 0.22 119.26 122.12 1spu h ALA 140 Ca -0.04 -0.52 -0.32 0.00 0.00 0.00 0.00 54.91 54.03 1spu h ALA 140 Cb 1.10 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1spu h ALA 140 CO 0.07 0.71 -2.20 1.28 0.00 0.00 0.00 179.25 179.10 1spu n LEU 141 N -3.90 0.00 -0.07 0.00 4.77 0.12 -4.59 117.00 113.34 1spu n LEU 141 Ca -0.02 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.98 1spu n LEU 141 Cb 0.59 0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 42.11 1spu n LEU 141 CO 0.44 0.43 0.12 -0.62 -1.33 0.00 0.00 177.39 176.43 1spu n GLU 142 N -2.65 3.34 -2.89 3.23 1.02 0.61 -4.98 120.64 118.31 1spu n GLU 142 Ca -0.28 -0.30 -0.21 0.00 -0.02 0.00 0.00 57.16 56.35 1spu n GLU 142 Cb 1.07 -0.84 0.02 0.00 -0.02 0.00 0.00 31.44 31.66 1spu n GLU 142 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1spu n ASN 143 N -0.57 -5.49 -4.66 1.62 6.94 0.79 -4.91 115.26 108.98 1spu n ASN 143 Ca 0.01 -0.20 -0.43 0.00 -0.02 0.00 0.00 54.58 53.95 1spu n ASN 143 Cb 0.08 -4.50 -0.02 0.00 -2.36 0.00 0.00 39.78 32.98 1spu n ASN 143 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1spu s LYS 144 N -5.55 4.21 0.49 -3.83 2.20 -0.40 -4.88 119.74 111.98 1spu s LYS 144 Ca 0.23 1.39 -0.22 0.00 -0.36 0.00 0.00 55.97 57.00 1spu s LYS 144 Cb -0.11 -3.70 -0.08 0.00 -1.51 0.00 0.00 37.83 32.44 1spu s LYS 144 CO 0.28 -0.71 1.10 -0.35 -0.36 0.00 0.00 175.35 175.31 1spu n PRO 145 N 6.52 1.40 0.20 4.03 -0.04 -1.26 -3.24 135.00 142.60 1spu n PRO 145 Ca 0.13 0.51 -0.15 0.00 -0.04 0.00 0.00 63.50 63.95 1spu n PRO 145 Cb 0.46 -2.23 -0.08 0.00 -0.04 0.00 0.00 33.50 31.61 1spu n PRO 145 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1spu h VAL 146 N 1.34 0.68 -3.90 0.52 2.07 -1.94 -3.48 116.25 111.53 1spu h VAL 146 Ca -0.47 -0.18 -0.23 0.00 0.82 0.00 0.00 66.70 66.64 1spu h VAL 146 Cb 1.33 0.77 0.09 0.00 -1.52 0.00 0.00 31.29 31.96 1spu h VAL 146 CO 0.56 0.04 -0.41 0.47 0.02 0.00 0.00 177.57 178.25 1spu n ASP 147 N -5.25 -4.20 -3.81 0.57 8.00 -1.26 -4.98 116.55 105.62 1spu n ASP 147 Ca -0.10 -0.33 -0.13 0.00 0.71 0.00 0.00 54.79 54.94 1spu n ASP 147 Cb 0.23 -3.18 -0.14 0.00 -0.02 0.00 0.00 41.12 38.00 1spu n ASP 147 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1spu s GLN 148 N -5.63 0.05 0.60 -1.24 -2.07 -1.26 -5.14 119.66 104.98 1spu s GLN 148 Ca 0.29 0.18 -0.18 0.00 -1.82 0.00 0.00 55.36 53.83 1spu s GLN 148 Cb -0.13 -0.08 -0.05 0.00 -1.09 0.00 0.00 33.01 31.66 1spu s GLN 148 CO 0.43 -0.08 0.99 -0.35 -1.32 0.00 0.00 175.29 174.95 1spu n PRO 149 N 3.60 0.92 -2.22 9.60 -0.04 -1.26 -4.93 135.00 140.67 1spu n PRO 149 Ca -0.19 0.36 -0.42 0.00 -0.04 0.00 0.00 63.50 63.21 1spu n PRO 149 Cb 0.55 -2.19 -0.03 0.00 -0.04 0.00 0.00 33.50 31.79 1spu n PRO 149 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1spu s ARG 150 N -2.79 4.36 0.19 0.54 1.81 -1.26 -4.94 118.95 116.87 1spu s ARG 150 Ca 0.76 2.03 0.09 0.00 -1.72 0.00 0.00 55.73 56.89 1spu s ARG 150 Cb -0.42 -3.24 -0.04 0.00 -0.45 0.00 0.00 34.95 30.81 1spu s ARG 150 CO 0.47 -0.33 -0.19 0.15 -0.68 0.00 0.00 175.30 174.72 1spu s LYS 151 N 0.56 1.37 0.01 3.54 1.02 -1.26 -0.85 119.74 124.13 1spu s LYS 151 Ca 0.60 -1.50 0.06 0.00 0.02 0.00 0.00 55.97 55.15 1spu s LYS 151 Cb -0.36 -1.43 -0.02 0.00 -0.52 0.00 0.00 37.83 35.50 1spu s LYS 151 CO 0.34 0.28 -0.18 0.00 -0.92 0.00 0.00 175.35 174.87 1spu s ALA 152 N -2.20 1.47 -0.18 5.17 0.00 0.38 -1.38 121.76 125.01 1spu s ALA 152 Ca 0.19 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 51.20 1spu s ALA 152 Cb -0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 1spu s ALA 152 CO 0.08 0.34 0.28 -0.51 0.00 0.00 0.00 175.76 175.96 1spu s ASP 153 N -0.67 6.37 -0.22 0.00 1.01 0.46 -1.53 116.67 122.09 1spu s ASP 153 Ca 0.06 0.43 0.02 0.00 0.71 0.00 0.00 52.55 53.77 1spu s ASP 153 Cb -0.07 -2.17 0.04 0.00 1.01 0.00 0.00 42.92 41.73 1spu s ASP 153 CO 0.00 0.06 -0.13 -0.69 0.21 0.00 0.00 175.17 174.62 1spu s VAL 154 N 0.73 1.95 -0.25 -1.27 1.01 0.96 -1.02 120.40 122.52 1spu s VAL 154 Ca 0.15 -1.25 -0.05 0.00 0.00 0.00 0.00 61.98 60.83 1spu s VAL 154 Cb -0.13 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1spu s VAL 154 CO 0.04 0.17 0.02 -0.63 0.00 0.00 0.00 175.10 174.71 1spu s ILE 155 N 1.25 3.78 0.17 2.22 1.01 0.12 -0.14 121.20 129.62 1spu s ILE 155 Ca -0.03 -0.45 0.10 0.00 0.00 0.00 0.00 60.65 60.27 1spu s ILE 155 Cb -0.17 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1spu s ILE 155 CO -0.08 0.32 -0.21 0.00 0.00 0.00 0.00 174.94 174.96 1spu s MET 156 N 1.52 1.38 -0.32 2.79 0.23 -0.49 -0.77 119.30 123.65 1spu s MET 156 Ca 0.05 -1.45 -0.05 0.00 -1.03 0.00 0.00 55.69 53.21 1spu s MET 156 Cb -0.15 -1.58 0.04 0.00 -1.53 0.00 0.00 34.83 31.60 1spu s MET 156 CO 0.00 0.33 0.07 -1.17 -2.03 0.00 0.00 175.02 172.22 1spu s LEU 157 N -2.62 4.08 -0.96 0.18 2.96 0.08 -0.79 118.68 121.60 1spu s LEU 157 Ca 0.18 -1.07 -0.12 0.00 -0.22 0.00 0.00 54.13 52.89 1spu s LEU 157 Cb -0.07 -1.83 0.24 0.00 0.50 0.00 0.00 46.19 45.03 1spu s LEU 157 CO 0.08 -0.28 0.95 -0.62 -1.32 0.00 0.00 176.35 175.16 1spu s ASP 158 N 1.39 6.99 0.41 3.68 2.15 0.82 0.56 116.67 132.68 1spu s ASP 158 Ca -0.02 -3.04 0.00 0.00 0.43 0.00 0.00 52.55 49.93 1spu s ASP 158 Cb -0.19 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1spu s ASP 158 CO 0.02 -0.49 0.00 0.61 -0.17 0.00 0.00 175.17 175.14 1spu n GLY 159 N 3.54 1.80 0.19 2.66 0.00 -1.26 -1.98 105.19 110.14 1spu n GLY 159 Ca 0.19 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1spu n GLY 159 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1spu n LYS 160 N 0.00 2.35 -3.76 1.61 2.85 -1.26 -5.00 118.16 114.95 1spu n LYS 160 Ca 0.00 -0.46 -0.37 0.00 -1.05 0.00 0.00 58.31 56.42 1spu n LYS 160 Cb 0.00 -1.11 -0.06 0.00 -0.65 0.00 0.00 35.03 33.21 1spu n LYS 160 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1spu s HIS 161 N -1.70 3.63 -0.20 5.58 3.76 -0.84 -4.28 115.29 121.24 1spu s HIS 161 Ca 0.08 0.66 -0.16 0.00 -0.15 0.00 0.00 55.06 55.49 1spu s HIS 161 Cb 0.09 -2.05 -0.04 0.00 1.11 0.00 0.00 32.58 31.69 1spu s HIS 161 CO 0.35 0.69 0.41 0.42 -0.85 0.00 0.00 174.74 175.77 1spu s ILE 162 N -0.99 5.18 0.03 0.60 -1.09 -1.25 0.29 121.20 123.97 1spu s ILE 162 Ca 0.17 0.74 0.06 0.00 -2.23 0.00 0.00 60.65 59.39 1spu s ILE 162 Cb -0.13 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 36.98 1spu s ILE 162 CO 0.07 0.24 -0.18 -0.63 -1.23 0.00 0.00 174.94 173.21 1spu s ILE 163 N 1.39 1.42 -0.17 2.92 1.09 0.03 -0.23 121.20 127.65 1spu s ILE 163 Ca 0.20 -1.05 0.01 0.00 -1.10 0.00 0.00 60.65 58.71 1spu s ILE 163 Cb -0.15 -1.24 0.02 0.00 -1.06 0.00 0.00 42.46 40.03 1spu s ILE 163 CO 0.08 0.17 -0.20 -1.61 -0.10 0.00 0.00 174.94 173.28 1spu s GLU 164 N -1.03 2.92 0.19 2.79 2.02 0.18 -1.40 118.70 124.38 1spu s GLU 164 Ca 0.05 -0.80 0.11 0.00 0.02 0.00 0.00 54.97 54.35 1spu s GLU 164 Cb -0.08 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.60 1spu s GLU 164 CO 0.01 -0.19 -0.23 0.00 0.02 0.00 0.00 175.26 174.87 1spu s ALA 165 N 1.25 2.56 -0.09 5.21 0.00 0.80 0.18 121.76 131.68 1spu s ALA 165 Ca 0.03 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.36 1spu s ALA 165 Cb -0.13 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1spu s ALA 165 CO -0.11 0.43 -0.08 0.08 0.00 0.00 0.00 175.76 176.08 1spu s VAL 166 N -1.68 0.94 -0.08 0.00 1.01 -0.81 -0.03 120.40 119.75 1spu s VAL 166 Ca 0.21 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1spu s VAL 166 Cb -0.08 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1spu s VAL 166 CO 0.10 0.34 -0.21 0.68 0.00 0.00 0.00 175.10 176.01 1spu s VAL 167 N 1.31 2.42 -0.58 2.92 -7.23 -0.58 0.43 120.40 119.09 1spu s VAL 167 Ca -0.03 -0.92 -0.22 0.00 -1.81 0.00 0.00 61.98 59.00 1spu s VAL 167 Cb -0.14 -1.93 0.06 0.00 0.56 0.00 0.00 36.38 34.93 1spu s VAL 167 CO -0.03 0.56 0.86 -0.62 -0.31 0.00 0.00 175.10 175.56 1spu s ASP 168 N -0.05 6.25 0.19 4.85 -1.08 0.40 -0.47 116.67 126.76 1spu s ASP 168 Ca -0.06 -0.75 -0.05 0.00 -0.52 0.00 0.00 52.55 51.17 1spu s ASP 168 Cb -0.14 -2.39 0.10 0.00 -1.46 0.00 0.00 42.92 39.03 1spu s ASP 168 CO 0.05 -1.21 1.53 -0.07 0.52 0.00 0.00 175.17 175.99 1spu h LEU 169 N 10.73 0.75 -0.41 -1.34 3.38 -1.25 0.48 115.31 127.66 1spu h LEU 169 Ca -0.27 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.38 1spu h LEU 169 Cb 1.08 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1spu h LEU 169 CO 1.09 1.08 0.19 -0.61 0.09 0.00 0.00 178.44 180.27 1spu h GLN 170 N 0.56 0.37 -0.00 1.13 4.15 -1.90 -2.78 115.11 116.64 1spu h GLN 170 Ca 0.04 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1spu h GLN 170 Cb 0.98 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.58 1spu h GLN 170 CO 0.09 0.24 -0.62 0.09 -1.93 0.00 0.00 178.83 176.71 1spu n ASN 171 N -4.95 0.91 -3.45 -0.69 3.02 -1.21 -4.98 115.26 103.91 1spu n ASN 171 Ca 0.02 -0.73 -0.18 0.00 -0.03 0.00 0.00 54.58 53.67 1spu n ASN 171 Cb 0.12 0.49 0.08 0.00 -0.61 0.00 0.00 39.78 39.86 1spu n ASN 171 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1spu n ASN 172 N -1.20 -2.65 -4.12 6.41 5.15 0.14 -5.01 115.26 113.98 1spu n ASN 172 Ca 0.06 -0.68 -0.24 0.00 -0.60 0.00 0.00 54.58 53.13 1spu n ASN 172 Cb 0.35 -4.93 -0.16 0.00 -0.53 0.00 0.00 39.78 34.52 1spu n ASN 172 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1spu s LYS 173 N -5.33 1.49 -0.23 1.20 -0.14 0.48 -4.98 119.74 112.22 1spu s LYS 173 Ca 0.08 -0.55 -0.24 0.00 -1.36 0.00 0.00 55.97 53.90 1spu s LYS 173 Cb -0.01 -1.35 -0.01 0.00 -1.68 0.00 0.00 37.83 34.78 1spu s LYS 173 CO 0.75 0.26 0.80 -1.17 -0.76 0.00 0.00 175.35 175.23 1spu s LEU 174 N -0.08 4.09 -0.13 3.17 2.96 -1.26 0.15 118.68 127.59 1spu s LEU 174 Ca -0.00 1.01 0.11 0.00 -0.22 0.00 0.00 54.13 55.03 1spu s LEU 174 Cb -0.09 -3.14 -0.24 0.00 0.50 0.00 0.00 46.19 43.22 1spu s LEU 174 CO 0.01 -0.47 0.34 0.18 -1.32 0.00 0.00 176.35 175.09 1spu n LEU 175 N 5.83 0.99 -3.53 -0.68 4.77 0.17 -4.93 117.00 119.62 1spu n LEU 175 Ca 0.04 0.20 -0.17 0.00 -0.03 0.00 0.00 56.01 56.05 1spu n LEU 175 Cb 0.48 0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1spu n LEU 175 CO 0.47 0.54 0.48 -0.94 -1.33 0.00 0.00 177.39 176.60 1spu s SER 176 N -6.05 -0.63 -0.18 -1.43 1.04 -1.13 -4.95 113.70 100.38 1spu s SER 176 Ca -0.11 0.72 -0.02 0.00 0.48 0.00 0.00 55.95 57.01 1spu s SER 176 Cb 0.07 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.80 1spu s SER 176 CO 0.80 -0.56 0.01 0.86 0.98 0.00 0.00 173.24 175.33 1spu s TRP 177 N -1.10 1.21 -0.12 5.02 -0.11 -1.26 -1.93 118.94 120.65 1spu s TRP 177 Ca -0.09 -0.88 -0.04 0.00 1.22 0.00 0.00 56.10 56.31 1spu s TRP 177 Cb -0.00 -1.09 0.05 0.00 -1.50 0.00 0.00 33.47 30.92 1spu s TRP 177 CO 0.08 -0.59 0.07 -0.65 -4.62 0.00 0.00 176.95 171.25 1spu s GLN 178 N 1.80 0.04 0.26 5.86 -0.21 0.49 -4.93 119.66 122.97 1spu s GLN 178 Ca -0.00 0.09 -0.30 0.00 0.02 0.00 0.00 55.36 55.17 1spu s GLN 178 Cb -0.16 -1.29 -0.10 0.00 1.00 0.00 0.00 33.01 32.45 1spu s GLN 178 CO -0.07 -0.52 1.44 -2.14 -2.12 0.00 0.00 175.29 171.88 1spu s PRO 179 N 2.14 4.26 -0.37 2.91 0.02 -1.26 0.52 135.00 143.21 1spu s PRO 179 Ca 0.03 2.32 -0.00 0.00 0.02 0.00 0.00 61.00 63.37 1spu s PRO 179 Cb -0.14 -3.10 0.10 0.00 0.02 0.00 0.00 34.50 31.38 1spu s PRO 179 CO -0.06 -0.42 0.13 0.42 -0.33 0.00 0.00 177.00 176.73 1spu s ILE 180 N -0.08 2.87 0.26 2.83 -1.09 0.68 -4.90 121.20 121.77 1spu s ILE 180 Ca 0.59 -2.13 -0.30 0.00 -2.23 0.00 0.00 60.65 56.58 1spu s ILE 180 Cb -0.42 -3.00 -0.11 0.00 -1.58 0.00 0.00 42.46 37.35 1spu s ILE 180 CO 0.44 -0.62 1.51 -0.75 -1.23 0.00 0.00 174.94 174.30 1spu s LYS 181 N 1.05 4.21 0.00 2.79 2.20 -1.26 -3.27 119.74 125.46 1spu s LYS 181 Ca 0.08 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.10 1spu s LYS 181 Cb -0.21 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1spu s LYS 181 CO -0.06 -0.52 0.00 -0.25 -0.36 0.00 0.00 175.35 174.17 1spu n ASP 182 N 2.44 0.00 -4.77 1.43 8.00 -1.26 -4.98 116.55 117.41 1spu n ASP 182 Ca 0.08 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.18 1spu n ASP 182 Cb 0.39 -0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 1spu n ASP 182 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1spu s ALA 183 N -2.02 3.43 0.12 2.24 0.00 -1.20 -5.04 121.76 119.29 1spu s ALA 183 Ca 0.00 0.40 -0.00 0.00 0.00 0.00 0.00 51.96 52.35 1spu s ALA 183 Cb 0.00 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1spu s ALA 183 CO 0.00 0.27 0.29 -1.01 0.00 0.00 0.00 175.76 175.31 1spu s HIS 184 N -1.11 3.50 0.40 0.00 3.76 -1.26 -4.28 115.29 116.30 1spu s HIS 184 Ca 0.37 0.29 0.03 0.00 -0.15 0.00 0.00 55.06 55.59 1spu s HIS 184 Cb -0.23 -1.80 -0.00 0.00 1.11 0.00 0.00 32.58 31.65 1spu s HIS 184 CO 0.27 0.51 0.58 0.20 -0.85 0.00 0.00 174.74 175.45 1spu s GLY 185 N -2.78 1.58 0.80 -2.22 0.00 -1.26 -4.66 107.32 98.79 1spu s GLY 185 Ca 0.37 -1.25 -0.12 0.00 0.00 0.00 0.00 44.72 43.72 1spu s GLY 185 CO 0.28 -1.12 1.10 -3.16 0.00 0.00 0.00 173.10 170.20 1spu s MET 186 N -4.38 2.03 0.06 2.90 0.23 -1.26 -4.81 119.30 114.06 1spu s MET 186 Ca 0.47 0.58 -0.31 0.00 -1.03 0.00 0.00 55.69 55.40 1spu s MET 186 Cb -0.10 -1.92 -0.07 0.00 -1.53 0.00 0.00 34.83 31.22 1spu s MET 186 CO 0.35 -1.65 1.45 0.08 -2.03 0.00 0.00 175.02 173.22 1spu s VAL 187 N -3.19 3.42 0.16 5.16 1.01 0.08 -5.03 120.40 122.01 1spu s VAL 187 Ca 0.61 0.91 0.05 0.00 0.00 0.00 0.00 61.98 63.55 1spu s VAL 187 Cb -0.14 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1spu s VAL 187 CO 0.54 0.03 0.13 -0.76 0.00 0.00 0.00 175.10 175.03 1spu s LEU 188 N 1.95 3.79 0.43 3.92 1.43 -1.26 -4.67 118.68 124.27 1spu s LEU 188 Ca 0.66 -0.13 0.21 0.00 -1.03 0.00 0.00 54.13 53.84 1spu s LEU 188 Cb -0.35 -2.40 1.16 0.00 0.03 0.00 0.00 46.19 44.63 1spu s LEU 188 CO 0.29 0.08 1.82 0.25 0.23 0.00 0.00 176.35 179.02 1spu h LEU 189 N 2.50 0.36 -1.53 1.79 7.12 -1.96 0.37 115.31 123.96 1spu h LEU 189 Ca -0.48 0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.59 1spu h LEU 189 Cb 1.20 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.32 1spu h LEU 189 CO 0.63 0.11 0.00 -2.24 -0.13 0.00 0.00 178.44 176.81 1spu h ASP 190 N 0.34 0.00 -0.52 1.25 2.03 -2.01 -2.45 116.42 115.05 1spu h ASP 190 Ca 0.52 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.79 1spu h ASP 190 Cb 1.43 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.90 1spu h ASP 190 CO -0.19 0.00 0.23 0.44 -1.03 0.00 0.00 179.24 178.69 1spu h ASP 191 N 0.00 0.74 -0.13 4.15 3.32 -0.65 0.99 116.42 124.84 1spu h ASP 191 Ca 0.00 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1spu h ASP 191 Cb 0.43 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1spu h ASP 191 CO 0.00 0.67 0.06 -0.26 -1.72 0.00 0.00 179.24 177.99 1spu h PHE 192 N 0.81 0.18 -0.48 4.55 -1.00 -1.50 -1.13 116.94 118.37 1spu h PHE 192 Ca 0.19 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.92 1spu h PHE 192 Cb 0.15 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 1spu h PHE 192 CO 0.01 0.24 0.14 0.00 -1.61 0.00 0.00 178.31 177.09 1spu h ALA 193 N 0.93 0.63 0.37 2.45 0.00 -1.49 -2.93 119.26 119.22 1spu h ALA 193 Ca 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1spu h ALA 193 Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1spu h ALA 193 CO -0.01 0.30 -0.35 0.77 0.00 0.00 0.00 179.25 179.97 1spu h SER 194 N 0.65 -0.94 -0.79 0.00 0.02 -0.57 -1.94 113.55 109.99 1spu h SER 194 Ca 0.15 0.08 0.19 0.00 -0.84 0.00 0.00 61.79 61.37 1spu h SER 194 Cb 0.29 0.31 -0.13 0.00 0.14 0.00 0.00 62.40 63.01 1spu h SER 194 CO -0.00 -0.49 0.11 0.58 -1.14 0.00 0.00 176.83 175.88 1spu h VAL 195 N -0.74 0.37 -0.48 2.27 2.07 -1.19 0.23 116.25 118.78 1spu h VAL 195 Ca -0.03 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.33 1spu h VAL 195 Cb 0.66 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1spu h VAL 195 CO -0.05 0.03 -0.11 -0.61 0.02 0.00 0.00 177.57 176.85 1spu h GLN 196 N 0.17 0.93 0.21 1.57 5.75 -1.32 -0.86 115.11 121.56 1spu h GLN 196 Ca 0.45 -0.35 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 1spu h GLN 196 Cb 0.83 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.33 1spu h GLN 196 CO -0.63 1.01 -0.10 -0.91 -2.65 0.00 0.00 178.83 175.55 1spu h ASN 197 N 0.78 -0.24 -0.60 -0.69 -0.26 -0.32 -0.52 115.58 113.72 1spu h ASN 197 Ca 0.12 -0.11 0.11 0.00 -0.56 0.00 0.00 56.30 55.87 1spu h ASN 197 Cb 0.66 0.06 -0.09 0.00 -1.06 0.00 0.00 38.32 37.90 1spu h ASN 197 CO 0.05 -0.04 0.12 0.40 -1.06 0.00 0.00 177.43 176.89 1spu h ILE 198 N -0.44 0.63 -0.41 2.81 2.04 -0.58 0.15 117.51 121.71 1spu h ILE 198 Ca -0.03 -0.08 -0.11 0.00 1.00 0.00 0.00 64.86 65.64 1spu h ILE 198 Cb 0.33 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1spu h ILE 198 CO 0.05 0.04 -0.18 0.40 0.00 0.00 0.00 178.15 178.47 1spu h ILE 199 N 0.24 1.27 -0.23 -0.67 5.03 -1.05 -1.93 117.51 120.18 1spu h ILE 199 Ca 0.31 -1.27 -0.07 0.00 -0.12 0.00 0.00 64.86 63.72 1spu h ILE 199 Cb 0.47 1.14 -0.01 0.00 -3.03 0.00 0.00 36.82 35.39 1spu h ILE 199 CO -0.41 0.43 -0.15 0.78 -0.68 0.00 0.00 178.15 178.12 1spu h ASN 200 N 0.69 0.36 1.22 1.72 -0.26 0.70 -3.03 115.58 116.98 1spu h ASN 200 Ca 0.10 -0.09 -0.05 0.00 -0.56 0.00 0.00 56.30 55.70 1spu h ASN 200 Cb 0.68 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.83 1spu h ASN 200 CO 0.05 0.54 -0.81 0.78 -1.06 0.00 0.00 177.43 176.94 1spu h ASN 201 N 0.35 0.00 -2.93 5.81 -0.26 -0.67 -3.46 115.58 114.42 1spu h ASN 201 Ca 0.07 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 55.24 1spu h ASN 201 Cb 0.48 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.70 1spu h ASN 201 CO 0.03 0.20 0.88 -0.55 -1.06 0.00 0.00 177.43 176.93 1spu s SER 202 N -5.80 6.95 0.10 5.81 0.15 -0.74 -4.93 113.70 115.25 1spu s SER 202 Ca 0.01 1.72 -0.14 0.00 0.70 0.00 0.00 55.95 58.24 1spu s SER 202 Cb 0.08 -2.54 -0.11 0.00 -1.71 0.00 0.00 66.02 61.74 1spu s SER 202 CO 0.76 -0.74 1.37 1.05 1.20 0.00 0.00 173.24 176.88 1spu h GLU 203 N 8.12 0.74 -0.03 5.44 9.09 -1.89 -2.52 114.58 133.54 1spu h GLU 203 Ca -0.28 -0.48 -0.23 0.00 0.05 0.00 0.00 59.36 58.42 1spu h GLU 203 Cb 1.11 0.06 0.01 0.00 -1.65 0.00 0.00 28.75 28.28 1spu h GLU 203 CO 0.96 1.10 -0.94 0.93 0.05 0.00 0.00 179.01 181.11 1spu h GLU 204 N 0.47 0.55 0.28 1.06 5.08 -1.96 -1.80 114.58 118.25 1spu h GLU 204 Ca 0.01 -0.56 -0.01 0.00 -1.00 0.00 0.00 59.36 57.80 1spu h GLU 204 Cb 1.08 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1spu h GLU 204 CO 0.10 1.18 -0.14 0.35 -1.00 0.00 0.00 179.01 179.50 1spu h PHE 205 N 0.32 -0.37 -0.86 4.33 3.04 -1.89 0.36 116.94 121.88 1spu h PHE 205 Ca -0.09 -0.01 0.20 0.00 3.98 0.00 0.00 57.97 62.06 1spu h PHE 205 Cb 1.57 0.13 -0.12 0.00 2.56 0.00 0.00 35.95 40.09 1spu h PHE 205 CO 0.08 -0.23 0.35 0.00 -2.02 0.00 0.00 178.31 176.48 1spu h ALA 206 N 0.34 1.31 -0.26 2.41 0.00 -1.44 0.21 119.26 121.83 1spu h ALA 206 Ca -0.03 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1spu h ALA 206 Cb 0.31 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1spu h ALA 206 CO 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 179.25 178.97 1spu h ALA 207 N 1.68 0.35 -0.97 0.00 0.00 -0.55 -1.60 119.26 118.17 1spu h ALA 207 Ca 0.52 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1spu h ALA 207 Cb 0.95 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1spu h ALA 207 CO -0.51 0.10 0.60 0.00 0.00 0.00 0.00 179.25 179.44 1spu h ALA 208 N 0.80 1.23 -0.18 0.00 0.00 0.23 -2.53 119.26 118.81 1spu h ALA 208 Ca 0.07 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1spu h ALA 208 Cb 0.44 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1spu h ALA 208 CO 0.02 0.67 -0.56 -0.39 0.00 0.00 0.00 179.25 178.98 1spu h VAL 209 N 1.33 1.32 0.00 0.00 -1.51 -0.62 -3.10 116.25 113.67 1spu h VAL 209 Ca 0.35 -1.82 -0.07 0.00 -1.23 0.00 0.00 66.70 63.93 1spu h VAL 209 Cb -0.09 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 1spu h VAL 209 CO -0.07 0.57 -0.33 0.11 -1.23 0.00 0.00 177.57 176.62 1spu h LYS 210 N 0.42 0.00 -0.00 5.19 6.56 -1.01 -2.29 116.57 125.44 1spu h LYS 210 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1spu h LYS 210 Cb 1.11 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 1spu h LYS 210 CO 0.11 0.33 -0.06 0.36 -2.06 0.00 0.00 179.45 178.12 1spu n LYS 211 N -3.82 0.35 -0.36 3.15 2.85 -0.98 -3.25 118.16 116.10 1spu n LYS 211 Ca -0.01 -0.06 0.09 0.00 -1.05 0.00 0.00 58.31 57.28 1spu n LYS 211 Cb 0.41 -1.50 0.27 0.00 -0.65 0.00 0.00 35.03 33.56 1spu n LYS 211 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1spu n ARG 212 N -1.28 2.98 -0.79 -1.58 1.74 -0.95 -4.96 116.66 111.83 1spu n ARG 212 Ca 0.12 -2.52 0.00 0.00 -0.77 0.00 0.00 57.85 54.67 1spu n ARG 212 Cb 0.28 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1spu n ARG 212 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1spu n GLY 213 N 1.08 0.60 3.56 -0.13 0.00 -1.20 -4.62 105.19 104.48 1spu n GLY 213 Ca 0.21 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1spu n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1spu s ILE 214 N -2.00 4.62 0.02 -0.61 1.09 -0.91 -4.92 121.20 118.50 1spu s ILE 214 Ca 0.00 0.61 -0.19 0.00 -1.10 0.00 0.00 60.65 59.97 1spu s ILE 214 Cb 0.00 -4.33 -0.22 0.00 -1.06 0.00 0.00 42.46 36.85 1spu s ILE 214 CO 0.00 -0.69 1.14 0.71 -0.10 0.00 0.00 174.94 176.00 1spu h THR 215 N 5.96 1.39 -3.45 2.92 1.35 -1.90 -3.35 112.91 115.83 1spu h THR 215 Ca -0.25 -2.04 -0.72 0.00 -0.55 0.00 0.00 66.41 62.86 1spu h THR 215 Cb 1.08 2.47 -0.27 0.00 -1.73 0.00 0.00 68.15 69.71 1spu h THR 215 CO 0.97 0.60 -0.46 -0.62 -0.25 0.00 0.00 175.52 175.76 1spu s ASP 216 N -6.80 5.71 0.00 5.36 -1.08 -1.26 -4.93 116.67 113.68 1spu s ASP 216 Ca -0.13 -1.40 0.30 0.00 -0.52 0.00 0.00 52.55 50.80 1spu s ASP 216 Cb 0.04 -2.02 1.65 0.00 -1.46 0.00 0.00 42.92 41.14 1spu s ASP 216 CO 0.84 -0.53 2.09 0.00 0.52 0.00 0.00 175.17 178.09 1spu n ALA 217 N 4.96 2.54 0.30 3.66 0.00 -1.26 -2.74 120.51 127.98 1spu n ALA 217 Ca -0.11 -0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.29 1spu n ALA 217 Cb 0.43 -1.49 0.16 0.00 0.00 0.00 0.00 19.45 18.55 1spu n ALA 217 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1spu h LYS 218 N 0.00 0.00 -0.03 0.00 6.56 -1.98 -3.28 116.57 117.84 1spu h LYS 218 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1spu h LYS 218 Cb 0.14 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 1spu h LYS 218 CO 0.00 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.02 1spu n LYS 219 N -2.70 1.35 -3.02 3.15 4.76 -1.11 -4.87 118.16 115.72 1spu n LYS 219 Ca 0.03 -0.52 -0.40 0.00 -2.87 0.00 0.00 58.31 54.55 1spu n LYS 219 Cb 0.51 -1.44 -0.05 0.00 -1.84 0.00 0.00 35.03 32.21 1spu n LYS 219 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1spu s VAL 220 N -1.97 5.02 -0.16 -0.18 1.01 -1.24 -0.18 120.40 122.72 1spu s VAL 220 Ca 0.39 1.46 -0.02 0.00 0.00 0.00 0.00 61.98 63.81 1spu s VAL 220 Cb 0.19 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1spu s VAL 220 CO 0.32 0.21 -0.09 -0.63 0.00 0.00 0.00 175.10 174.91 1spu s ILE 221 N 1.06 3.35 0.30 2.22 1.01 0.25 -4.96 121.20 124.43 1spu s ILE 221 Ca 0.37 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.54 1spu s ILE 221 Cb -0.17 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 1spu s ILE 221 CO 0.17 0.49 0.39 0.42 0.00 0.00 0.00 174.94 176.42 1spu s THR 222 N 0.60 4.35 -0.02 2.92 -4.23 -1.26 -0.06 115.64 117.94 1spu s THR 222 Ca -0.05 -1.08 0.02 0.00 -1.18 0.00 0.00 61.69 59.40 1spu s THR 222 Cb -0.15 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.19 1spu s THR 222 CO 0.03 -0.22 -0.08 0.42 -0.54 0.00 0.00 174.62 174.23 1spu s THR 223 N -2.14 0.68 -0.37 3.99 -4.23 0.12 -4.96 115.64 108.74 1spu s THR 223 Ca 0.40 -0.30 -0.22 0.00 -1.18 0.00 0.00 61.69 60.39 1spu s THR 223 Cb -0.09 -0.62 0.01 0.00 1.34 0.00 0.00 72.50 73.14 1spu s THR 223 CO 0.29 0.22 0.72 -2.16 -0.54 0.00 0.00 174.62 173.15 1spu s PRO 224 N 0.23 3.66 -0.07 3.99 0.04 -1.26 -2.65 135.00 138.95 1spu s PRO 224 Ca -0.03 0.13 0.05 0.00 0.04 0.00 0.00 61.00 61.19 1spu s PRO 224 Cb -0.08 -3.83 -0.01 0.00 0.04 0.00 0.00 34.50 30.62 1spu s PRO 224 CO 0.00 -0.84 -0.23 -0.51 0.04 0.00 0.00 177.00 175.46 1spu s LEU 225 N 2.95 2.16 0.57 -3.56 1.43 0.10 -4.95 118.68 117.38 1spu s LEU 225 Ca 0.28 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.69 1spu s LEU 225 Cb -0.14 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1spu s LEU 225 CO 0.17 0.23 1.30 0.42 0.23 0.00 0.00 176.35 178.70 1spu s THR 226 N -0.07 2.25 -0.81 5.49 -4.23 -1.26 0.83 115.64 117.84 1spu s THR 226 Ca -0.06 0.17 0.20 0.00 -1.18 0.00 0.00 61.69 60.82 1spu s THR 226 Cb -0.14 -3.08 -0.23 0.00 1.34 0.00 0.00 72.50 70.38 1spu s THR 226 CO 0.05 -0.01 0.79 1.33 -0.54 0.00 0.00 174.62 176.23 1spu n VAL 227 N -1.27 0.00 -4.40 2.29 0.24 -1.26 -4.65 118.33 109.28 1spu n VAL 227 Ca 0.12 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1spu n VAL 227 Cb 0.47 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 1spu n VAL 227 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1spu n GLY 228 N 1.45 0.77 3.48 7.63 0.00 -1.26 -4.81 105.19 112.45 1spu n GLY 228 Ca 0.03 -0.81 -0.05 0.00 0.00 0.00 0.00 46.02 45.18 1spu n GLY 228 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1spu s TYR 229 N 0.00 -1.05 -0.15 1.61 5.04 -1.26 -4.35 117.35 117.19 1spu s TYR 229 Ca 0.00 1.93 0.17 0.00 -2.44 0.00 0.00 57.07 56.73 1spu s TYR 229 Cb 0.00 0.56 0.33 0.00 0.35 0.00 0.00 41.96 43.20 1spu s TYR 229 CO 0.00 -0.56 1.18 1.19 -1.34 0.00 0.00 175.55 176.02 1spu n PHE 230 N 5.18 0.03 -3.50 4.97 3.01 -1.26 -4.70 117.46 121.19 1spu n PHE 230 Ca -0.13 -1.14 -0.24 0.00 1.01 0.00 0.00 57.45 56.96 1spu n PHE 230 Cb 0.51 -0.18 0.07 0.00 -0.01 0.00 0.00 39.48 39.87 1spu n PHE 230 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1spu n ASP 231 N -1.33 -6.34 0.00 4.37 2.03 -1.26 -1.50 116.55 112.53 1spu n ASP 231 Ca 0.17 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.98 1spu n ASP 231 Cb 0.66 -5.01 0.00 0.00 -0.72 0.00 0.00 41.12 36.06 1spu n ASP 231 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1spu n GLY 232 N -1.93 2.97 0.41 0.27 0.00 -1.26 -4.88 105.19 100.77 1spu n GLY 232 Ca -0.01 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.23 1spu n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1spu h LYS 233 N 1.82 0.00 0.00 1.61 1.57 -1.61 0.68 116.57 120.65 1spu h LYS 233 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1spu h LYS 233 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1spu h LYS 233 CO 0.00 0.00 0.00 0.38 -0.57 0.00 0.00 179.45 179.26 1spu h ASP 234 N 0.00 0.00 0.00 0.86 2.03 -1.90 -3.47 116.42 113.94 1spu h ASP 234 Ca 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 1spu h ASP 234 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1spu h ASP 234 CO -0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 1spu n GLY 235 N 1.16 0.61 3.28 7.15 0.00 0.24 -5.05 105.19 112.58 1spu n GLY 235 Ca 0.05 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 1spu n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1spu s LEU 236 N 0.00 2.31 -0.03 0.99 1.43 -1.24 -5.07 118.68 117.07 1spu s LEU 236 Ca 0.00 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 1spu s LEU 236 Cb 0.00 -1.48 -0.07 0.00 0.03 0.00 0.00 46.19 44.67 1spu s LEU 236 CO 0.00 0.17 1.80 -1.59 0.23 0.00 0.00 176.35 176.96 1spu s LYS 237 N 0.27 4.12 0.61 1.70 -2.85 -1.26 -4.40 119.74 117.93 1spu s LYS 237 Ca -0.14 2.34 0.34 0.00 -1.00 0.00 0.00 55.97 57.50 1spu s LYS 237 Cb -0.17 -4.07 1.99 0.00 -2.06 0.00 0.00 37.83 33.52 1spu s LYS 237 CO 0.07 -0.94 2.29 0.37 0.10 0.00 0.00 175.35 177.24 1spu h GLN 238 N 10.17 0.00 -0.02 1.78 5.75 -1.99 -2.91 115.11 127.90 1spu h GLN 238 Ca -0.43 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.06 1spu h GLN 238 Cb 1.20 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.75 1spu h GLN 238 CO 0.95 0.00 -0.02 0.22 -2.65 0.00 0.00 178.83 177.33 1spu h ASP 239 N 0.00 0.05 -4.07 -0.69 1.82 -1.99 -3.46 116.42 108.08 1spu h ASP 239 Ca -0.00 -0.47 -0.54 0.00 -0.39 0.00 0.00 57.03 55.63 1spu h ASP 239 Cb 0.00 -0.01 0.12 0.00 0.68 0.00 0.00 39.33 40.12 1spu h ASP 239 CO 0.00 0.51 0.53 0.00 -1.61 0.00 0.00 179.24 178.66 1spu s ALA 240 N -4.33 2.67 -0.68 -0.78 0.00 -1.10 -4.97 121.76 112.57 1spu s ALA 240 Ca -0.16 1.15 -0.19 0.00 0.00 0.00 0.00 51.96 52.76 1spu s ALA 240 Cb 0.02 -3.50 0.11 0.00 0.00 0.00 0.00 23.12 19.75 1spu s ALA 240 CO 0.68 -1.24 0.83 0.50 0.00 0.00 0.00 175.76 176.53 1spu s ARG 241 N -3.10 3.19 0.22 0.00 3.52 -1.26 -4.99 118.95 116.52 1spu s ARG 241 Ca 0.74 -1.39 0.10 0.00 -0.13 0.00 0.00 55.73 55.06 1spu s ARG 241 Cb -0.35 -4.38 -0.04 0.00 -1.56 0.00 0.00 34.95 28.62 1spu s ARG 241 CO 0.39 -1.61 -0.14 -0.51 -0.81 0.00 0.00 175.30 172.62 1spu s LEU 242 N 2.75 2.78 -0.04 -0.88 1.43 -1.26 -0.46 118.68 123.00 1spu s LEU 242 Ca 0.17 -0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 52.48 1spu s LEU 242 Cb -0.19 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.62 1spu s LEU 242 CO 0.03 0.08 0.10 -0.76 0.23 0.00 0.00 176.35 176.03 1spu s LEU 243 N -3.04 1.62 0.33 1.79 1.43 -0.94 -4.59 118.68 115.28 1spu s LEU 243 Ca 0.26 0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 53.51 1spu s LEU 243 Cb -0.07 0.34 -0.05 0.00 0.03 0.00 0.00 46.19 46.43 1spu s LEU 243 CO 0.14 -0.04 0.60 -0.54 0.23 0.00 0.00 176.35 176.75 1spu s LYS 244 N 0.06 3.61 -0.11 1.70 1.02 0.24 -0.08 119.74 126.20 1spu s LYS 244 Ca -0.00 0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.01 1spu s LYS 244 Cb -0.01 -2.59 0.02 0.00 -0.52 0.00 0.00 37.83 34.74 1spu s LYS 244 CO 0.00 0.13 -0.08 0.08 -0.92 0.00 0.00 175.35 174.55 1spu s VAL 245 N -2.23 1.05 -0.12 3.17 1.01 0.14 -0.72 120.40 122.70 1spu s VAL 245 Ca 0.44 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 1spu s VAL 245 Cb -0.10 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1spu s VAL 245 CO 0.33 0.37 -0.01 -0.63 0.00 0.00 0.00 175.10 175.15 1spu s ILE 246 N 1.53 4.18 0.12 2.22 -1.09 -1.08 -2.51 121.20 124.57 1spu s ILE 246 Ca 0.02 -0.28 0.09 0.00 -2.23 0.00 0.00 60.65 58.25 1spu s ILE 246 Cb -0.13 -2.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 1spu s ILE 246 CO -0.06 0.55 -0.22 -0.44 -1.23 0.00 0.00 174.94 173.54 1spu s SER 247 N -0.34 2.74 0.15 3.58 0.01 -1.26 0.15 113.70 118.73 1spu s SER 247 Ca 0.06 -0.73 0.05 0.00 1.31 0.00 0.00 55.95 56.64 1spu s SER 247 Cb -0.12 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 1spu s SER 247 CO 0.02 0.07 -0.12 -0.31 0.41 0.00 0.00 173.24 173.31 1spu s TYR 248 N -1.30 1.36 -0.18 2.43 1.51 0.92 -1.66 117.35 120.42 1spu s TYR 248 Ca 0.10 -0.69 -0.06 0.00 -1.01 0.00 0.00 57.07 55.41 1spu s TYR 248 Cb -0.09 -0.68 -0.03 0.00 -0.11 0.00 0.00 41.96 41.04 1spu s TYR 248 CO 0.05 0.14 0.02 -1.17 -1.11 0.00 0.00 175.55 173.49 1spu s LEU 249 N -3.05 3.52 -0.52 -1.29 2.96 0.83 0.84 118.68 121.97 1spu s LEU 249 Ca 0.16 -0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.73 1spu s LEU 249 Cb 0.01 -1.88 0.03 0.00 0.50 0.00 0.00 46.19 44.84 1spu s LEU 249 CO 0.02 0.13 1.17 -0.62 -1.32 0.00 0.00 176.35 175.74 1spu s ASP 250 N 0.60 6.54 -0.02 3.68 -1.08 0.75 -4.52 116.67 122.62 1spu s ASP 250 Ca 0.01 0.32 0.16 0.00 -0.52 0.00 0.00 52.55 52.52 1spu s ASP 250 Cb -0.14 -2.55 0.48 0.00 -1.46 0.00 0.00 42.92 39.26 1spu s ASP 250 CO 0.02 -1.37 1.40 1.33 0.52 0.00 0.00 175.17 177.08 1spu n VAL 251 N 6.79 1.11 -1.07 1.11 0.24 -1.26 -4.92 118.33 120.33 1spu n VAL 251 Ca 0.11 -1.05 -0.03 0.00 -2.04 0.00 0.00 64.34 61.33 1spu n VAL 251 Cb 0.49 0.44 -0.01 0.00 -1.47 0.00 0.00 33.84 33.29 1spu n VAL 251 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1spu n GLY 252 N 0.98 0.58 0.48 7.63 0.00 -1.26 -4.90 105.19 108.69 1spu n GLY 252 Ca 0.18 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.85 1spu n GLY 252 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1spu n ASP 253 N 0.51 1.41 -0.37 1.61 5.75 -1.26 -4.86 116.55 119.33 1spu n ASP 253 Ca -0.03 -1.78 -0.05 0.00 -0.01 0.00 0.00 54.79 52.93 1spu n ASP 253 Cb 0.14 -0.12 -0.02 0.00 -1.03 0.00 0.00 41.12 40.09 1spu n ASP 253 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1spu n GLY 254 N 1.03 0.69 2.58 6.12 0.00 -1.26 -3.85 105.19 110.49 1spu n GLY 254 Ca 0.14 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 1spu n GLY 254 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1spu s ASN 255 N -2.42 3.19 0.22 1.61 2.47 -1.26 -4.89 114.94 113.86 1spu s ASN 255 Ca 0.00 -2.51 0.08 0.00 0.42 0.00 0.00 52.86 50.85 1spu s ASN 255 Cb 0.00 -0.72 0.17 0.00 -1.45 0.00 0.00 41.25 39.25 1spu s ASN 255 CO 0.00 -0.27 1.50 0.10 -3.72 0.00 0.00 177.10 174.71 1spu h TYR 256 N 6.72 0.10 -0.15 0.43 -0.00 -1.93 -3.14 116.97 118.99 1spu h TYR 256 Ca 0.05 -0.05 0.04 0.00 0.00 0.00 0.00 58.73 58.78 1spu h TYR 256 Cb 0.94 -0.01 -0.01 0.00 0.00 0.00 0.00 36.73 37.65 1spu h TYR 256 CO 0.45 0.78 0.51 -1.49 -0.00 0.00 0.00 178.16 178.41 1spu h TRP 257 N 0.04 0.00 -0.11 0.10 4.06 -1.93 0.27 115.95 118.38 1spu h TRP 257 Ca -0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1spu h TRP 257 Cb 1.30 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.46 1spu h TRP 257 CO 0.01 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.89 1spu n ALA 258 N -1.95 2.55 -3.22 1.49 0.00 -1.19 -4.42 120.51 113.77 1spu n ALA 258 Ca 0.02 -0.47 -0.24 0.00 0.00 0.00 0.00 53.44 52.75 1spu n ALA 258 Cb 0.59 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 1spu n ALA 258 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1spu n HIS 259 N 0.17 0.82 -2.50 0.00 8.25 0.96 -4.66 115.22 118.26 1spu n HIS 259 Ca 0.17 -3.76 -0.37 0.00 -0.26 0.00 0.00 57.72 53.51 1spu n HIS 259 Cb 0.32 -0.41 -0.04 0.00 1.12 0.00 0.00 29.99 30.98 1spu n HIS 259 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1spu s PRO 260 N -1.82 4.12 -0.77 -0.41 0.04 -1.26 -0.12 135.00 134.78 1spu s PRO 260 Ca 0.38 1.56 -0.08 0.00 0.04 0.00 0.00 61.00 62.89 1spu s PRO 260 Cb 0.21 -2.54 0.20 0.00 0.04 0.00 0.00 34.50 32.41 1spu s PRO 260 CO -0.09 -0.19 0.65 0.42 0.04 0.00 0.00 177.00 177.83 1spu s ILE 261 N -1.63 4.79 0.31 0.56 1.01 -0.66 -4.37 121.20 121.20 1spu s ILE 261 Ca 0.58 -2.81 -0.29 0.00 0.00 0.00 0.00 60.65 58.13 1spu s ILE 261 Cb -0.23 -4.00 -0.10 0.00 0.01 0.00 0.00 42.46 38.14 1spu s ILE 261 CO 0.29 -0.98 1.16 -0.70 0.00 0.00 0.00 174.94 174.71 1spu s GLU 262 N -0.11 4.49 -0.70 2.79 2.56 -1.26 -3.81 118.70 122.67 1spu s GLU 262 Ca 0.19 1.90 -0.03 0.00 0.00 0.00 0.00 54.97 57.03 1spu s GLU 262 Cb -0.14 -3.09 0.00 0.00 2.00 0.00 0.00 34.13 32.91 1spu s GLU 262 CO -0.07 0.05 0.46 0.09 -0.56 0.00 0.00 175.26 175.23 1spu n ASN 263 N 0.94 -3.98 -3.69 -1.70 5.03 -1.26 -4.39 115.26 106.21 1spu n ASN 263 Ca -0.00 -0.21 -0.25 0.00 0.87 0.00 0.00 54.58 54.99 1spu n ASN 263 Cb 0.44 -2.68 -0.17 0.00 -1.02 0.00 0.00 39.78 36.35 1spu n ASN 263 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1spu s LEU 264 N -3.82 0.65 -0.02 3.41 2.96 -1.25 -0.27 118.68 120.35 1spu s LEU 264 Ca 0.23 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 1spu s LEU 264 Cb -0.10 -0.39 -0.01 0.00 0.50 0.00 0.00 46.19 46.19 1spu s LEU 264 CO 0.28 -0.29 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.17 1spu s VAL 265 N 2.02 1.26 0.04 1.68 1.01 0.11 -4.47 120.40 122.06 1spu s VAL 265 Ca 0.02 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.39 1spu s VAL 265 Cb -0.15 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1spu s VAL 265 CO -0.07 0.36 -0.19 0.00 0.00 0.00 0.00 175.10 175.20 1spu s ALA 266 N -0.33 1.60 -0.16 5.51 0.00 -1.04 0.00 121.76 127.35 1spu s ALA 266 Ca 0.05 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 1spu s ALA 266 Cb -0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1spu s ALA 266 CO -0.00 0.35 -0.05 0.08 0.00 0.00 0.00 175.76 176.14 1spu s VAL 267 N -0.78 3.70 -0.08 0.00 1.01 0.59 0.26 120.40 125.10 1spu s VAL 267 Ca 0.06 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1spu s VAL 267 Cb -0.08 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1spu s VAL 267 CO 0.01 0.49 -0.17 -0.69 0.00 0.00 0.00 175.10 174.75 1spu s VAL 268 N 0.47 2.78 -0.44 2.92 1.01 0.89 -1.69 120.40 126.34 1spu s VAL 268 Ca -0.05 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1spu s VAL 268 Cb -0.15 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.17 1spu s VAL 268 CO 0.03 0.57 0.50 -0.62 0.00 0.00 0.00 175.10 175.58 1spu s ASP 269 N -0.25 6.22 0.35 3.32 -1.08 0.15 -2.20 116.67 123.17 1spu s ASP 269 Ca 0.01 -0.70 0.12 0.00 -0.52 0.00 0.00 52.55 51.46 1spu s ASP 269 Cb -0.13 -2.25 0.64 0.00 -1.46 0.00 0.00 42.92 39.72 1spu s ASP 269 CO 0.03 -0.67 1.78 -0.07 0.52 0.00 0.00 175.17 176.75 1spu h LEU 270 N 9.26 0.00 -0.34 -1.34 3.38 -1.05 0.50 115.31 125.72 1spu h LEU 270 Ca -0.26 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.54 1spu h LEU 270 Cb 1.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1spu h LEU 270 CO 0.85 0.43 -0.45 -0.08 0.09 0.00 0.00 178.44 179.28 1spu h GLU 271 N 0.00 0.90 0.00 1.13 4.57 -1.90 -3.22 114.58 116.05 1spu h GLU 271 Ca -0.00 -0.51 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1spu h GLU 271 Cb 0.76 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 1spu h GLU 271 CO 0.06 1.16 -0.47 1.96 -1.18 0.00 0.00 179.01 180.54 1spu h GLN 272 N 0.70 0.00 -5.83 1.92 4.20 -1.84 -3.48 115.11 110.78 1spu h GLN 272 Ca 0.04 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.36 1spu h GLN 272 Cb 1.05 0.00 0.13 0.00 0.30 0.00 0.00 27.48 28.96 1spu h GLN 272 CO 0.10 0.00 -0.71 1.63 -0.67 0.00 0.00 178.83 179.18 1spu n LYS 273 N -2.28 -7.42 -3.75 1.46 4.76 0.17 -4.98 118.16 106.13 1spu n LYS 273 Ca 0.04 0.81 -0.10 0.00 -2.87 0.00 0.00 58.31 56.19 1spu n LYS 273 Cb 0.45 -5.84 -0.06 0.00 -1.84 0.00 0.00 35.03 27.74 1spu n LYS 273 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1spu s LYS 274 N -6.08 0.94 -0.76 1.97 -2.85 -0.85 -4.93 119.74 107.17 1spu s LYS 274 Ca 0.43 -0.80 -0.26 0.00 -1.00 0.00 0.00 55.97 54.34 1spu s LYS 274 Cb -0.19 0.40 0.03 0.00 -2.06 0.00 0.00 37.83 36.01 1spu s LYS 274 CO 0.74 -0.33 1.27 0.42 0.10 0.00 0.00 175.35 177.55 1spu s ILE 275 N -3.68 3.78 -1.26 3.79 1.01 -1.26 0.31 121.20 123.89 1spu s ILE 275 Ca 0.03 0.27 0.29 0.00 0.00 0.00 0.00 60.65 61.23 1spu s ILE 275 Cb 0.03 -4.92 0.32 0.00 0.01 0.00 0.00 42.46 37.90 1spu s ILE 275 CO -0.11 -1.84 1.86 1.33 0.00 0.00 0.00 174.94 176.19 1spu n VAL 276 N 6.39 0.00 -3.64 2.92 0.24 -0.68 -4.89 118.33 118.65 1spu n VAL 276 Ca 0.05 -0.02 -0.04 0.00 -2.04 0.00 0.00 64.34 62.30 1spu n VAL 276 Cb 0.49 -0.28 -0.07 0.00 -1.47 0.00 0.00 33.84 32.51 1spu n VAL 276 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1spu s LYS 277 N -2.77 0.12 -0.13 7.34 2.20 -1.22 -4.98 119.74 120.31 1spu s LYS 277 Ca 0.20 0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 1spu s LYS 277 Cb 0.19 0.06 0.02 0.00 -1.51 0.00 0.00 37.83 36.60 1spu s LYS 277 CO 0.53 -0.02 -0.11 0.42 -0.36 0.00 0.00 175.35 175.81 1spu s ILE 278 N -0.11 1.30 -0.27 5.43 1.01 -1.26 -0.30 121.20 127.00 1spu s ILE 278 Ca 0.07 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 1spu s ILE 278 Cb -0.04 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 1spu s ILE 278 CO -0.13 0.41 0.16 -1.61 0.00 0.00 0.00 174.94 173.77 1spu s GLU 279 N 1.56 3.90 -0.07 2.79 2.02 0.10 -4.98 118.70 124.02 1spu s GLU 279 Ca 0.04 -0.35 0.05 0.00 0.02 0.00 0.00 54.97 54.73 1spu s GLU 279 Cb -0.13 -3.57 -0.01 0.00 0.10 0.00 0.00 34.13 30.52 1spu s GLU 279 CO -0.09 -0.14 -0.22 -1.21 0.02 0.00 0.00 175.26 173.62 1spu s GLU 280 N 1.61 2.75 0.00 1.61 2.02 -1.26 -0.71 118.70 124.73 1spu s GLU 280 Ca 0.07 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1spu s GLU 280 Cb -0.15 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.80 1spu s GLU 280 CO 0.09 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.12 1spu n GLY 281 N 3.06 4.95 3.57 -1.39 0.00 0.63 -5.01 105.19 111.01 1spu n GLY 281 Ca -0.18 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 1spu n GLY 281 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1spu n PRO 282 N 0.00 0.78 -3.12 1.61 -0.04 -1.26 -4.91 135.00 128.06 1spu n PRO 282 Ca 0.00 0.30 -0.40 0.00 -0.04 0.00 0.00 63.50 63.36 1spu n PRO 282 Cb 0.00 -2.03 -0.06 0.00 -0.04 0.00 0.00 33.50 31.37 1spu n PRO 282 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1spu s VAL 283 N -1.57 5.02 -0.20 0.52 1.01 -1.26 -4.58 120.40 119.34 1spu s VAL 283 Ca 0.74 1.19 0.01 0.00 0.00 0.00 0.00 61.98 63.92 1spu s VAL 283 Cb -0.43 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.04 1spu s VAL 283 CO 0.49 0.11 -0.17 -0.69 0.00 0.00 0.00 175.10 174.84 1spu s VAL 284 N 1.91 2.04 0.19 2.92 1.01 -1.26 -5.10 120.40 122.11 1spu s VAL 284 Ca 0.29 -1.08 -0.33 0.00 0.00 0.00 0.00 61.98 60.86 1spu s VAL 284 Cb -0.16 -1.93 -0.14 0.00 0.00 0.00 0.00 36.38 34.15 1spu s VAL 284 CO 0.10 0.40 1.41 -2.65 0.00 0.00 0.00 175.10 174.37 1spu n PRO 285 N 4.59 1.83 -1.89 2.72 -0.02 -1.26 -4.44 135.00 136.52 1spu n PRO 285 Ca -0.19 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 1spu n PRO 285 Cb 0.48 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1spu n PRO 285 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1spu s VAL 286 N 0.28 2.64 -0.15 -1.45 1.01 -1.26 -4.75 120.40 116.72 1spu s VAL 286 Ca 0.74 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.81 1spu s VAL 286 Cb -0.73 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1spu s VAL 286 CO 0.46 0.02 1.69 -2.84 0.00 0.00 0.00 175.10 174.43 1spu s PRO 287 N 1.61 3.89 -0.02 2.72 0.02 -1.26 -4.88 135.00 137.08 1spu s PRO 287 Ca 0.72 1.90 0.19 0.00 0.02 0.00 0.00 61.00 63.84 1spu s PRO 287 Cb -0.44 -4.05 -0.21 0.00 0.02 0.00 0.00 34.50 29.82 1spu s PRO 287 CO 0.32 -1.19 0.56 -1.33 -0.33 0.00 0.00 177.00 175.03 1spu n MET 288 N 7.56 0.65 -1.64 5.54 2.81 -1.26 -4.34 117.12 126.43 1spu n MET 288 Ca 0.19 0.03 -0.47 0.00 -1.81 0.00 0.00 57.70 55.64 1spu n MET 288 Cb 0.44 -1.65 -0.04 0.00 -0.71 0.00 0.00 33.22 31.26 1spu n MET 288 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1spu n THR 289 N -2.64 0.50 -1.97 2.03 -1.04 -1.26 -4.90 114.28 105.00 1spu n THR 289 Ca -0.13 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.05 61.34 1spu n THR 289 Cb 0.81 -1.30 -0.03 0.00 -1.82 0.00 0.00 70.33 67.98 1spu n THR 289 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1spu s ALA 290 N 0.31 3.66 -0.50 2.41 0.00 -1.26 -4.94 121.76 121.45 1spu s ALA 290 Ca 0.75 1.15 0.08 0.00 0.00 0.00 0.00 51.96 53.93 1spu s ALA 290 Cb -0.73 -3.69 0.32 0.00 0.00 0.00 0.00 23.12 19.02 1spu s ALA 290 CO 0.46 -1.10 0.80 0.54 0.00 0.00 0.00 175.76 176.45 1spu n ARG 291 N 5.70 2.10 -2.11 0.00 5.12 -1.26 -5.10 116.66 121.11 1spu n ARG 291 Ca 0.16 -4.16 -0.38 0.00 -1.93 0.00 0.00 57.85 51.54 1spu n ARG 291 Cb 0.41 -1.95 0.00 0.00 -1.16 0.00 0.00 32.46 29.77 1spu n ARG 291 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1spu s PRO 292 N -2.71 3.62 0.00 5.56 0.04 -1.25 -4.74 135.00 135.52 1spu s PRO 292 Ca 0.43 1.94 0.07 0.00 0.04 0.00 0.00 61.00 63.48 1spu s PRO 292 Cb 0.27 -2.41 0.04 0.00 0.04 0.00 0.00 34.50 32.43 1spu s PRO 292 CO -0.10 -0.71 0.64 1.97 0.04 0.00 0.00 177.00 178.84 1spu n PHE 293 N -0.55 0.00 1.48 0.56 1.16 -1.26 -4.59 117.46 114.25 1spu n PHE 293 Ca 0.08 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.76 1spu n PHE 293 Cb 0.47 0.00 0.45 0.00 -1.61 0.00 0.00 39.48 38.78 1spu n PHE 293 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1spu n ASP 294 N 0.15 1.15 0.00 5.98 5.75 -1.26 -4.92 116.55 123.40 1spu n ASP 294 Ca 0.03 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 1spu n ASP 294 Cb 0.16 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1spu n ASP 294 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1spu n GLY 295 N 1.03 0.87 0.38 6.12 0.00 -1.26 -4.91 105.19 107.41 1spu n GLY 295 Ca 0.16 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.37 1spu n GLY 295 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1spu h ARG 296 N 2.74 0.00 -0.29 1.61 0.11 -1.91 0.37 114.38 117.00 1spu h ARG 296 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1spu h ARG 296 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1spu h ARG 296 CO 0.00 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 179.67 1spu n ASP 297 N -3.54 2.85 -4.69 0.08 5.75 -1.26 -5.03 116.55 110.71 1spu n ASP 297 Ca 0.06 -2.06 -0.23 0.00 -0.01 0.00 0.00 54.79 52.55 1spu n ASP 297 Cb 0.58 -0.22 -0.06 0.00 -1.03 0.00 0.00 41.12 40.39 1spu n ASP 297 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1spu s ARG 298 N -1.11 2.44 -0.10 0.11 1.81 0.13 -5.10 118.95 117.13 1spu s ARG 298 Ca 0.21 -1.35 -0.22 0.00 -1.72 0.00 0.00 55.73 52.65 1spu s ARG 298 Cb 0.12 -2.25 -0.04 0.00 -0.45 0.00 0.00 34.95 32.33 1spu s ARG 298 CO 0.13 0.34 0.63 0.08 -0.68 0.00 0.00 175.30 175.81 1spu s VAL 299 N -2.30 5.08 -0.46 3.52 1.01 -1.26 -5.02 120.40 120.97 1spu s VAL 299 Ca 0.32 1.29 -0.17 0.00 0.00 0.00 0.00 61.98 63.42 1spu s VAL 299 Cb -0.06 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.39 1spu s VAL 299 CO 0.21 0.25 0.46 0.00 0.00 0.00 0.00 175.10 176.03 1spu s ALA 300 N 0.91 3.46 0.50 5.51 0.00 -1.26 -5.05 121.76 125.82 1spu s ALA 300 Ca 0.33 -1.77 -0.21 0.00 0.00 0.00 0.00 51.96 50.31 1spu s ALA 300 Cb -0.17 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.76 1spu s ALA 300 CO 0.15 -1.73 1.16 -1.25 0.00 0.00 0.00 175.76 174.09 1spu s PRO 301 N 2.08 3.55 -0.10 0.00 0.04 -1.26 -5.01 135.00 134.30 1spu s PRO 301 Ca 0.10 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 62.73 1spu s PRO 301 Cb -0.20 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 1spu s PRO 301 CO 0.11 -0.71 0.34 0.00 0.04 0.00 0.00 177.00 176.78 1spu s ALA 302 N -1.63 3.64 0.09 8.56 0.00 -1.26 -5.07 121.76 126.09 1spu s ALA 302 Ca 0.68 -0.36 0.06 0.00 0.00 0.00 0.00 51.96 52.34 1spu s ALA 302 Cb -0.27 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 1spu s ALA 302 CO 0.32 0.25 -0.17 0.08 0.00 0.00 0.00 175.76 176.25 1spu s VAL 303 N -0.15 1.37 0.33 0.00 1.01 -1.26 -5.14 120.40 116.56 1spu s VAL 303 Ca 0.20 -1.45 -0.27 0.00 0.00 0.00 0.00 61.98 60.46 1spu s VAL 303 Cb -0.14 -1.32 -0.09 0.00 0.00 0.00 0.00 36.38 34.82 1spu s VAL 303 CO 0.08 -0.19 1.02 -0.54 0.00 0.00 0.00 175.10 175.47 1spu s LYS 304 N -1.93 4.50 0.52 2.72 1.02 -1.26 -5.01 119.74 120.30 1spu s LYS 304 Ca 0.03 1.53 -0.22 0.00 0.02 0.00 0.00 55.97 57.33 1spu s LYS 304 Cb -0.09 -2.88 -0.07 0.00 -0.52 0.00 0.00 37.83 34.27 1spu s LYS 304 CO 0.03 0.16 1.19 -0.35 -0.92 0.00 0.00 175.35 175.47 1spu n PRO 305 N 0.64 1.50 -3.68 -1.68 -0.04 -1.26 -5.04 135.00 125.44 1spu n PRO 305 Ca 0.02 0.55 -0.11 0.00 -0.04 0.00 0.00 63.50 63.91 1spu n PRO 305 Cb 0.48 -2.36 -0.12 0.00 -0.04 0.00 0.00 33.50 31.47 1spu n PRO 305 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1spu s MET 306 N -2.59 0.27 0.02 0.54 1.75 -1.26 -5.16 119.30 112.86 1spu s MET 306 Ca 0.69 0.80 0.01 0.00 -1.25 0.00 0.00 55.69 55.95 1spu s MET 306 Cb -0.45 0.06 -0.01 0.00 2.84 0.00 0.00 34.83 37.26 1spu s MET 306 CO 0.51 -0.22 -0.05 -0.65 -0.65 0.00 0.00 175.02 173.97 1spu s GLN 307 N 2.02 0.35 -0.26 4.11 -0.21 -1.26 -5.01 119.66 119.41 1spu s GLN 307 Ca -0.04 -0.44 -0.06 0.00 0.02 0.00 0.00 55.36 54.85 1spu s GLN 307 Cb -0.11 -0.18 -0.00 0.00 1.00 0.00 0.00 33.01 33.72 1spu s GLN 307 CO -0.11 0.03 0.03 0.42 -2.12 0.00 0.00 175.29 173.55 1spu s ILE 308 N -0.82 3.80 0.09 1.08 1.01 -1.26 -5.09 121.20 120.02 1spu s ILE 308 Ca -0.06 -0.55 0.09 0.00 0.00 0.00 0.00 60.65 60.13 1spu s ILE 308 Cb -0.06 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 1spu s ILE 308 CO -0.00 0.24 -0.23 0.27 0.00 0.00 0.00 174.94 175.22 1spu s ILE 309 N 1.51 1.89 -0.48 2.92 -4.36 -1.26 -3.65 121.20 117.77 1spu s ILE 309 Ca 0.04 -1.52 0.04 0.00 -0.26 0.00 0.00 60.65 58.94 1spu s ILE 309 Cb -0.16 -1.68 0.16 0.00 1.25 0.00 0.00 42.46 42.03 1spu s ILE 309 CO 0.01 0.07 0.35 -1.61 0.24 0.00 0.00 174.94 174.00 1spu s GLU 310 N -1.75 1.33 0.48 0.37 2.02 -1.26 -5.01 118.70 114.89 1spu s GLU 310 Ca 0.09 -2.33 0.33 0.00 0.02 0.00 0.00 54.97 53.08 1spu s GLU 310 Cb -0.10 -2.07 1.65 0.00 0.10 0.00 0.00 34.13 33.71 1spu s GLU 310 CO 0.04 -1.31 1.99 -1.35 0.02 0.00 0.00 175.26 174.65 1spu h PRO 311 N 5.90 0.00 -0.37 0.39 0.11 -1.97 -2.44 132.00 133.62 1spu h PRO 311 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1spu h PRO 311 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1spu h PRO 311 CO 0.47 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.65 1spu n GLU 312 N -2.70 2.74 0.00 1.05 1.02 -1.26 -3.30 120.64 118.19 1spu n GLU 312 Ca -0.01 -2.07 0.00 0.00 -0.02 0.00 0.00 57.16 55.06 1spu n GLU 312 Cb 0.12 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1spu n GLU 312 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1spu n GLY 313 N 0.64 0.65 3.95 0.62 0.00 -0.92 -4.81 105.19 105.32 1spu n GLY 313 Ca 0.13 -2.18 -0.23 0.00 0.00 0.00 0.00 46.02 43.73 1spu n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1spu s LYS 314 N -1.06 3.16 0.17 1.61 -0.14 -1.26 -4.82 119.74 117.39 1spu s LYS 314 Ca 0.00 -0.46 0.25 0.00 -1.36 0.00 0.00 55.97 54.40 1spu s LYS 314 Cb 0.00 -2.58 0.56 0.00 -1.68 0.00 0.00 37.83 34.12 1spu s LYS 314 CO 0.00 -0.18 1.54 0.09 -0.76 0.00 0.00 175.35 176.04 1spu n ASN 315 N -2.01 0.78 -4.94 2.83 4.13 -1.26 -4.84 115.26 109.95 1spu n ASN 315 Ca 0.00 0.34 -0.27 0.00 1.68 0.00 0.00 54.58 56.34 1spu n ASN 315 Cb 0.57 -0.31 -0.03 0.00 -1.54 0.00 0.00 39.78 38.47 1spu n ASN 315 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1spu s TYR 316 N -3.14 3.49 -0.06 3.10 1.13 -1.26 -4.55 117.35 116.06 1spu s TYR 316 Ca 0.08 0.17 0.05 0.00 -1.41 0.00 0.00 57.07 55.96 1spu s TYR 316 Cb 0.13 -1.71 -0.01 0.00 -1.10 0.00 0.00 41.96 39.27 1spu s TYR 316 CO 0.66 0.50 -0.21 0.99 -2.51 0.00 0.00 175.55 174.98 1spu s THR 317 N -1.74 1.79 -0.33 -3.49 2.01 -0.31 -4.75 115.64 108.82 1spu s THR 317 Ca 0.35 -0.91 -0.00 0.00 0.31 0.00 0.00 61.69 61.45 1spu s THR 317 Cb -0.11 -1.53 0.08 0.00 0.01 0.00 0.00 72.50 70.95 1spu s THR 317 CO 0.29 0.50 0.05 -0.63 -0.69 0.00 0.00 174.62 174.14 1spu s ILE 318 N 0.02 2.80 -0.46 1.82 1.01 0.13 -1.25 121.20 125.28 1spu s ILE 318 Ca -0.06 -1.84 -0.08 0.00 0.00 0.00 0.00 60.65 58.67 1spu s ILE 318 Cb -0.14 -2.81 0.11 0.00 0.01 0.00 0.00 42.46 39.64 1spu s ILE 318 CO 0.04 -0.38 0.32 -0.89 0.00 0.00 0.00 174.94 174.03 1spu s THR 319 N 1.12 4.08 0.00 2.92 2.01 -0.89 0.74 115.64 125.63 1spu s THR 319 Ca 0.02 -1.78 0.00 0.00 0.31 0.00 0.00 61.69 60.24 1spu s THR 319 Cb -0.20 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.63 1spu s THR 319 CO -0.04 -0.73 0.00 0.61 -0.69 0.00 0.00 174.62 173.77 1spu n GLY 320 N 4.87 2.97 0.43 4.40 0.00 -0.97 -2.28 105.19 114.60 1spu n GLY 320 Ca -0.07 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 45.81 1spu n GLY 320 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1spu n ASP 321 N 7.88 1.80 -4.68 1.61 8.00 -1.26 -4.96 116.55 124.94 1spu n ASP 321 Ca 0.00 -1.40 -0.42 0.00 0.71 0.00 0.00 54.79 53.68 1spu n ASP 321 Cb 0.00 0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 1spu n ASP 321 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1spu s MET 322 N -1.47 4.36 -0.19 -1.24 -1.94 -0.97 -1.71 119.30 116.14 1spu s MET 322 Ca 0.14 1.23 -0.08 0.00 -1.71 0.00 0.00 55.69 55.27 1spu s MET 322 Cb 0.12 -3.56 -0.04 0.00 2.01 0.00 0.00 34.83 33.35 1spu s MET 322 CO 0.27 -0.34 0.07 0.42 -0.01 0.00 0.00 175.02 175.43 1spu s ILE 323 N 2.16 4.79 -0.17 2.53 1.01 0.21 -2.09 121.20 129.64 1spu s ILE 323 Ca 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.06 1spu s ILE 323 Cb -0.17 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1spu s ILE 323 CO 0.14 0.44 -0.16 -2.28 0.00 0.00 0.00 174.94 173.09 1spu s HIS 324 N 0.53 2.79 -0.20 3.97 5.65 -0.38 -1.75 115.29 125.91 1spu s HIS 324 Ca 0.04 -1.17 -0.06 0.00 0.25 0.00 0.00 55.06 54.11 1spu s HIS 324 Cb -0.13 -1.91 0.09 0.00 -1.18 0.00 0.00 32.58 29.46 1spu s HIS 324 CO 0.01 -0.56 0.39 -0.46 -0.65 0.00 0.00 174.74 173.47 1spu s TRP 325 N 0.98 -0.76 0.00 3.88 -0.00 -0.02 -1.16 118.94 121.87 1spu s TRP 325 Ca -0.02 1.35 0.00 0.00 -0.00 0.00 0.00 56.10 57.42 1spu s TRP 325 Cb -0.15 0.22 0.00 0.00 -0.00 0.00 0.00 33.47 33.54 1spu s TRP 325 CO -0.03 -0.51 0.00 0.54 -0.00 0.00 0.00 176.95 176.95 1spu n ARG 326 N 5.38 0.00 0.00 5.86 5.12 -1.26 -0.06 116.66 131.70 1spu n ARG 326 Ca -0.07 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 55.97 1spu n ARG 326 Cb 0.50 0.00 0.27 0.00 -1.16 0.00 0.00 32.46 32.06 1spu n ARG 326 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1spu n ASN 327 N 6.74 2.22 -4.80 0.55 5.03 -1.26 -4.92 115.26 118.82 1spu n ASN 327 Ca 0.00 -1.69 -0.38 0.00 0.87 0.00 0.00 54.58 53.37 1spu n ASN 327 Cb 0.00 0.05 -0.06 0.00 -1.02 0.00 0.00 39.78 38.75 1spu n ASN 327 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1spu s TRP 328 N -2.08 3.70 -0.02 3.10 0.52 0.92 0.57 118.94 125.64 1spu s TRP 328 Ca 0.31 1.06 0.00 0.00 0.02 0.00 0.00 56.10 57.49 1spu s TRP 328 Cb 0.20 -2.43 0.02 0.00 -1.15 0.00 0.00 33.47 30.12 1spu s TRP 328 CO 0.35 0.51 -0.00 -0.51 0.02 0.00 0.00 176.95 177.32 1spu s ASP 329 N -0.65 0.37 -0.05 2.95 1.01 -1.03 -0.84 116.67 118.44 1spu s ASP 329 Ca 0.26 -0.03 -0.29 0.00 0.71 0.00 0.00 52.55 53.20 1spu s ASP 329 Cb -0.17 -0.18 0.10 0.00 1.01 0.00 0.00 42.92 43.68 1spu s ASP 329 CO 0.14 -0.07 0.84 0.72 0.21 0.00 0.00 175.17 177.01 1spu s PHE 330 N 0.80 -0.45 -0.21 4.23 -0.71 -0.72 -0.39 117.98 120.53 1spu s PHE 330 Ca -0.08 0.58 -0.10 0.00 -1.04 0.00 0.00 56.93 56.30 1spu s PHE 330 Cb -0.11 0.48 -0.05 0.00 -1.21 0.00 0.00 43.02 42.13 1spu s PHE 330 CO -0.01 -0.53 0.12 -1.58 -1.34 0.00 0.00 175.22 171.88 1spu s HIS 331 N -2.06 3.36 -0.21 3.49 2.46 0.18 0.66 115.29 123.17 1spu s HIS 331 Ca -0.02 0.25 0.02 0.00 0.47 0.00 0.00 55.06 55.78 1spu s HIS 331 Cb -0.01 -2.17 0.04 0.00 -0.13 0.00 0.00 32.58 30.31 1spu s HIS 331 CO -0.01 0.21 -0.15 -1.17 -2.47 0.00 0.00 174.74 171.15 1spu s LEU 332 N 0.52 2.54 0.38 8.88 2.96 -0.69 0.07 118.68 133.33 1spu s LEU 332 Ca 0.07 -0.93 0.04 0.00 -0.22 0.00 0.00 54.13 53.09 1spu s LEU 332 Cb -0.12 -1.42 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1spu s LEU 332 CO -0.00 -0.10 0.14 -0.94 -1.32 0.00 0.00 176.35 174.13 1spu s SER 333 N 1.27 2.45 -0.04 3.68 1.04 -0.44 -4.78 113.70 116.86 1spu s SER 333 Ca -0.01 -1.63 0.05 0.00 0.48 0.00 0.00 55.95 54.85 1spu s SER 333 Cb -0.16 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 1spu s SER 333 CO -0.09 -0.90 -0.20 -0.32 0.98 0.00 0.00 173.24 172.71 1spu s MET 334 N -3.74 2.00 -0.06 4.02 1.75 -1.26 -1.39 119.30 120.62 1spu s MET 334 Ca 0.28 -0.71 0.06 0.00 -1.25 0.00 0.00 55.69 54.07 1spu s MET 334 Cb 0.04 -1.74 -0.01 0.00 2.84 0.00 0.00 34.83 35.95 1spu s MET 334 CO 0.16 0.31 -0.24 1.21 -0.65 0.00 0.00 175.02 175.80 1spu s ASN 335 N -0.09 3.02 0.51 1.11 3.84 0.14 -4.93 114.94 118.54 1spu s ASN 335 Ca -0.02 -0.51 0.16 0.00 0.21 0.00 0.00 52.86 52.70 1spu s ASN 335 Cb -0.12 -0.88 1.25 0.00 -0.55 0.00 0.00 41.25 40.95 1spu s ASN 335 CO 0.02 0.23 2.14 0.77 -2.79 0.00 0.00 177.10 177.48 1spu h SER 336 N 6.13 0.03 0.00 -4.21 4.64 -1.88 0.14 113.55 118.40 1spu h SER 336 Ca -0.31 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1spu h SER 336 Cb 1.18 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1spu h SER 336 CO 0.47 0.02 -0.18 -0.09 -0.87 0.00 0.00 176.83 176.18 1spu h ARG 337 N 0.04 0.00 0.00 4.77 2.43 -1.88 0.26 114.38 120.00 1spu h ARG 337 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1spu h ARG 337 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1spu h ARG 337 CO -0.00 0.00 -0.89 1.33 -1.51 0.00 0.00 179.97 178.89 1spu n VAL 338 N -4.30 0.19 -1.74 0.20 0.24 -1.25 -0.80 118.33 110.87 1spu n VAL 338 Ca -0.03 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1spu n VAL 338 Cb 0.10 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 1spu n VAL 338 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1spu n GLY 339 N 1.37 0.59 3.76 7.63 0.00 0.50 -4.45 105.19 114.60 1spu n GLY 339 Ca 0.03 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1spu n GLY 339 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1spu s PRO 340 N 0.00 4.21 -0.10 1.61 0.04 -1.26 0.24 135.00 139.74 1spu s PRO 340 Ca 0.00 2.42 0.01 0.00 0.04 0.00 0.00 61.00 63.47 1spu s PRO 340 Cb 0.00 -3.04 0.02 0.00 0.04 0.00 0.00 34.50 31.52 1spu s PRO 340 CO 0.00 -0.45 -0.10 -1.64 0.04 0.00 0.00 177.00 174.86 1spu s MET 341 N -1.23 1.64 -0.30 4.56 -1.94 -0.49 -4.28 119.30 117.27 1spu s MET 341 Ca 0.56 -0.33 -0.08 0.00 -1.71 0.00 0.00 55.69 54.13 1spu s MET 341 Cb -0.44 -1.56 0.00 0.00 2.01 0.00 0.00 34.83 34.85 1spu s MET 341 CO 0.52 -0.16 0.10 0.42 -0.01 0.00 0.00 175.02 175.90 1spu s ILE 342 N 1.32 4.18 0.20 2.53 -1.09 -0.09 -1.33 121.20 126.92 1spu s ILE 342 Ca -0.02 -0.60 0.04 0.00 -2.23 0.00 0.00 60.65 57.84 1spu s ILE 342 Cb -0.14 -3.14 -0.05 0.00 -1.58 0.00 0.00 42.46 37.55 1spu s ILE 342 CO -0.04 0.08 -0.04 -0.44 -1.23 0.00 0.00 174.94 173.27 1spu s SER 343 N 1.54 1.78 -1.36 3.58 0.01 0.11 0.12 113.70 119.49 1spu s SER 343 Ca 0.03 -1.15 -0.18 0.00 1.31 0.00 0.00 55.95 55.97 1spu s SER 343 Cb -0.17 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.09 1spu s SER 343 CO 0.04 -0.45 0.40 0.35 0.41 0.00 0.00 173.24 173.98 1spu n THR 344 N -0.33 -2.25 -2.58 1.44 -2.24 -0.03 0.49 114.28 108.78 1spu n THR 344 Ca -0.07 -0.58 -0.43 0.00 -2.27 0.00 0.00 64.05 60.71 1spu n THR 344 Cb 0.63 -1.93 -0.02 0.00 -2.10 0.00 0.00 70.33 66.91 1spu n THR 344 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1spu s VAL 345 N -3.90 4.24 0.31 2.28 1.01 0.07 -4.07 120.40 120.34 1spu s VAL 345 Ca 0.26 1.32 0.11 0.00 0.00 0.00 0.00 61.98 63.68 1spu s VAL 345 Cb -0.14 -4.50 -0.06 0.00 0.00 0.00 0.00 36.38 31.69 1spu s VAL 345 CO 0.97 -0.83 -0.14 0.42 0.00 0.00 0.00 175.10 175.52 1spu s THR 346 N 4.35 2.44 -0.13 3.92 -4.23 0.47 -1.48 115.64 120.98 1spu s THR 346 Ca 0.49 -2.28 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1spu s THR 346 Cb -0.09 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.28 1spu s THR 346 CO 0.27 -0.31 -0.11 -0.47 -0.54 0.00 0.00 174.62 173.46 1spu s TYR 347 N -2.54 1.83 -0.56 3.99 6.14 0.16 -2.46 117.35 123.91 1spu s TYR 347 Ca 0.31 -0.97 -0.27 0.00 0.64 0.00 0.00 57.07 56.78 1spu s TYR 347 Cb -0.02 -1.41 0.03 0.00 0.42 0.00 0.00 41.96 40.98 1spu s TYR 347 CO 0.16 -0.58 1.08 1.21 0.64 0.00 0.00 175.55 178.06 1spu s ASN 348 N 1.54 6.42 -0.47 4.32 2.47 0.19 0.11 114.94 129.53 1spu s ASN 348 Ca 0.04 -0.04 -0.06 0.00 0.42 0.00 0.00 52.86 53.22 1spu s ASN 348 Cb -0.13 -2.51 0.12 0.00 -1.45 0.00 0.00 41.25 37.29 1spu s ASN 348 CO -0.09 -1.35 0.31 -0.62 -3.72 0.00 0.00 177.10 171.63 1spu s ASP 349 N 2.85 5.51 -1.42 -4.21 2.15 0.89 -4.72 116.67 117.71 1spu s ASP 349 Ca 0.38 -2.07 -0.14 0.00 0.43 0.00 0.00 52.55 51.15 1spu s ASP 349 Cb -0.09 -1.93 0.02 0.00 -0.30 0.00 0.00 42.92 40.62 1spu s ASP 349 CO 0.24 -0.60 0.26 0.59 -0.17 0.00 0.00 175.17 175.49 1spu n ASN 350 N 4.62 -0.98 0.00 -0.34 5.03 -1.26 -0.05 115.26 122.28 1spu n ASN 350 Ca -0.04 -1.29 0.00 0.00 0.87 0.00 0.00 54.58 54.12 1spu n ASN 350 Cb 0.41 -1.60 0.00 0.00 -1.02 0.00 0.00 39.78 37.57 1spu n ASN 350 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1spu n GLY 351 N -2.41 1.42 3.45 7.41 0.00 -1.26 -5.05 105.19 108.75 1spu n GLY 351 Ca -0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 1spu n GLY 351 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1spu s THR 352 N -2.97 4.53 -0.41 2.61 2.01 0.92 -5.06 115.64 117.27 1spu s THR 352 Ca 0.00 -0.33 -0.29 0.00 0.31 0.00 0.00 61.69 61.38 1spu s THR 352 Cb 0.00 -3.25 0.02 0.00 0.01 0.00 0.00 72.50 69.29 1spu s THR 352 CO 0.00 0.16 1.11 -0.54 -0.69 0.00 0.00 174.62 174.66 1spu s LYS 353 N 1.62 3.88 -0.14 4.92 1.02 -1.26 -0.08 119.74 129.70 1spu s LYS 353 Ca 0.05 0.80 -0.10 0.00 0.02 0.00 0.00 55.97 56.74 1spu s LYS 353 Cb -0.16 -3.83 -0.05 0.00 -0.52 0.00 0.00 37.83 33.27 1spu s LYS 353 CO 0.06 -1.16 0.18 1.03 -0.92 0.00 0.00 175.35 174.53 1spu s ARG 354 N 4.09 3.85 0.26 1.68 0.52 0.31 -4.85 118.95 124.82 1spu s ARG 354 Ca 0.47 -0.08 -0.29 0.00 -0.52 0.00 0.00 55.73 55.30 1spu s ARG 354 Cb -0.09 -3.30 -0.10 0.00 0.52 0.00 0.00 34.95 31.98 1spu s ARG 354 CO 0.24 0.53 1.29 0.15 0.02 0.00 0.00 175.30 177.54 1spu s LYS 355 N -0.35 4.40 0.02 3.54 1.02 -1.26 0.35 119.74 127.45 1spu s LYS 355 Ca 0.14 2.11 0.00 0.00 0.02 0.00 0.00 55.97 58.23 1spu s LYS 355 Cb -0.12 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 1spu s LYS 355 CO 0.03 -0.18 0.00 0.28 -0.92 0.00 0.00 175.35 174.55 1spu n VAL 356 N 1.72 0.13 -3.72 3.17 0.31 -0.55 -0.59 118.33 118.79 1spu n VAL 356 Ca 0.03 0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.27 1spu n VAL 356 Cb 0.42 -1.33 -0.13 0.00 -0.91 0.00 0.00 33.84 31.88 1spu n VAL 356 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1spu s MET 357 N -2.00 0.17 -0.07 5.55 -2.45 -1.03 -1.57 119.30 117.89 1spu s MET 357 Ca 0.00 0.53 -0.25 0.00 -1.25 0.00 0.00 55.69 54.72 1spu s MET 357 Cb 0.00 -0.13 -0.20 0.00 1.25 0.00 0.00 34.83 35.75 1spu s MET 357 CO 0.00 -0.19 0.97 -0.92 1.05 0.00 0.00 175.02 175.94 1spu h TYR 358 N 7.39 -0.06 -2.77 4.11 3.20 -1.31 0.24 116.97 127.78 1spu h TYR 358 Ca -0.37 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.39 1spu h TYR 358 Cb 1.15 0.02 -0.22 0.00 1.54 0.00 0.00 36.73 39.22 1spu h TYR 358 CO 0.38 0.56 -0.20 -1.83 -1.64 0.00 0.00 178.16 175.43 1spu s GLU 359 N -3.32 0.63 -0.01 1.82 -1.05 -1.22 -0.85 118.70 114.70 1spu s GLU 359 Ca -0.16 0.21 -0.00 0.00 -0.15 0.00 0.00 54.97 54.88 1spu s GLU 359 Cb -0.00 0.29 0.01 0.00 -0.44 0.00 0.00 34.13 33.99 1spu s GLU 359 CO 0.61 -0.14 0.01 0.20 0.95 0.00 0.00 175.26 176.88 1spu s GLY 360 N -0.61 0.02 0.11 -3.83 0.00 0.33 -0.37 107.32 102.97 1spu s GLY 360 Ca -0.07 0.08 -0.26 0.00 0.00 0.00 0.00 44.72 44.47 1spu s GLY 360 CO 0.03 0.18 1.04 -1.35 0.00 0.00 0.00 173.10 173.00 1spu s SER 361 N 0.27 -0.15 0.56 1.64 1.04 -0.67 -0.91 113.70 115.48 1spu s SER 361 Ca -0.02 -0.33 -0.21 0.00 0.48 0.00 0.00 55.95 55.87 1spu s SER 361 Cb -0.03 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 1spu s SER 361 CO -0.01 -0.75 1.27 -0.11 0.98 0.00 0.00 173.24 174.62 1spu n LEU 362 N -0.47 5.11 -0.07 2.42 7.94 -1.26 -1.54 117.00 129.13 1spu n LEU 362 Ca -0.07 0.94 -0.06 0.00 -1.11 0.00 0.00 56.01 55.72 1spu n LEU 362 Cb 0.61 -1.53 -0.02 0.00 0.53 0.00 0.00 43.42 43.01 1spu n LEU 362 CO 0.13 -0.89 -0.43 0.61 -1.11 0.00 0.00 177.39 175.71 1spu n GLY 363 N 0.89 -0.84 0.00 -3.96 0.00 0.30 -4.49 105.19 97.09 1spu n GLY 363 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1spu n GLY 363 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1spu n GLY 364 N 1.58 -0.93 3.58 -0.02 0.00 -1.02 -4.41 105.19 103.96 1spu n GLY 364 Ca -0.09 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 1spu n GLY 364 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1spu s MET 365 N -2.00 1.65 -0.13 1.61 0.23 -1.26 -0.97 119.30 118.43 1spu s MET 365 Ca 0.00 -1.37 -0.17 0.00 -1.03 0.00 0.00 55.69 53.12 1spu s MET 365 Cb 0.00 0.47 0.04 0.00 -1.53 0.00 0.00 34.83 33.81 1spu s MET 365 CO 0.00 -0.69 0.45 -1.50 -2.03 0.00 0.00 175.02 171.25 1spu s ILE 366 N -3.74 0.01 -0.54 3.16 2.07 -0.43 -4.19 121.20 117.54 1spu s ILE 366 Ca 0.24 -0.10 0.04 0.00 -1.41 0.00 0.00 60.65 59.42 1spu s ILE 366 Cb -0.01 -0.67 0.15 0.00 0.13 0.00 0.00 42.46 42.06 1spu s ILE 366 CO 0.11 -0.05 0.33 -0.69 -1.91 0.00 0.00 174.94 172.73 1spu s VAL 367 N -0.20 2.11 -0.00 4.00 1.01 -0.11 -0.21 120.40 127.00 1spu s VAL 367 Ca -0.04 -3.33 -0.20 0.00 0.00 0.00 0.00 61.98 58.41 1spu s VAL 367 Cb -0.03 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 1spu s VAL 367 CO 0.02 -0.93 0.59 -2.16 0.00 0.00 0.00 175.10 172.62 1spu s PRO 368 N -0.43 4.31 0.37 2.72 0.04 -1.24 -2.37 135.00 138.40 1spu s PRO 368 Ca 0.21 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1spu s PRO 368 Cb -0.16 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 31.02 1spu s PRO 368 CO -0.07 0.38 0.57 0.71 0.04 0.00 0.00 177.00 178.63 1spu s TYR 369 N -0.23 3.45 -0.64 0.56 1.51 -0.67 -1.84 117.35 119.48 1spu s TYR 369 Ca 0.31 0.33 0.06 0.00 -1.01 0.00 0.00 57.07 56.75 1spu s TYR 369 Cb -0.18 -1.97 0.10 0.00 -0.11 0.00 0.00 41.96 39.79 1spu s TYR 369 CO 0.17 0.03 0.87 0.41 -1.11 0.00 0.00 175.55 175.93 1spu n GLY 370 N -1.84 0.67 3.69 0.71 0.00 -0.98 -4.95 105.19 102.49 1spu n GLY 370 Ca -0.04 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1spu n GLY 370 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1spu s ASP 371 N -0.71 6.70 0.00 1.61 -1.08 -1.26 -4.98 116.67 116.95 1spu s ASP 371 Ca 0.09 0.84 0.30 0.00 -0.52 0.00 0.00 52.55 53.26 1spu s ASP 371 Cb 0.06 -2.33 1.41 0.00 -1.46 0.00 0.00 42.92 40.60 1spu s ASP 371 CO 0.08 -0.15 1.97 -0.81 0.52 0.00 0.00 175.17 176.77 1spu n PRO 372 N 4.41 0.70 -0.93 4.34 -0.04 -1.26 -1.91 135.00 140.32 1spu n PRO 372 Ca -0.04 -0.16 -0.30 0.00 -0.04 0.00 0.00 63.50 62.96 1spu n PRO 372 Cb 0.51 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.64 1spu n PRO 372 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1spu s ASP 373 N -2.41 2.87 0.22 3.54 1.11 -1.26 -4.45 116.67 116.29 1spu s ASP 373 Ca 0.32 1.72 -0.08 0.00 0.18 0.00 0.00 52.55 54.69 1spu s ASP 373 Cb 0.20 -2.34 0.33 0.00 1.07 0.00 0.00 42.92 42.18 1spu s ASP 373 CO 0.45 -3.05 1.75 0.16 1.18 0.00 0.00 175.17 175.66 1spu h ILE 374 N -1.83 0.78 -0.00 0.77 3.07 -1.99 -0.21 117.51 118.09 1spu h ILE 374 Ca -0.50 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 65.75 1spu h ILE 374 Cb 1.29 0.25 0.00 0.00 -0.27 0.00 0.00 36.82 38.08 1spu h ILE 374 CO 0.50 0.09 -0.01 0.61 -1.05 0.00 0.00 178.15 178.29 1spu n GLY 375 N -1.30 -0.94 0.00 0.16 0.00 -1.26 -4.49 105.19 97.36 1spu n GLY 375 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1spu n GLY 375 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1spu n TRP 376 N -0.93 0.00 -0.26 1.61 7.02 -0.54 -4.89 117.44 119.46 1spu n TRP 376 Ca 0.22 0.00 0.33 0.00 -1.02 0.00 0.00 57.50 57.03 1spu n TRP 376 Cb 0.16 0.00 0.71 0.00 -2.42 0.00 0.00 31.31 29.76 1spu n TRP 376 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 1spu h TYR 377 N 0.00 0.00 -0.01 -5.99 -0.00 -0.37 0.53 116.97 111.12 1spu h TYR 377 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1spu h TYR 377 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.48 1spu h TYR 377 CO 0.00 0.00 -0.31 1.97 -0.00 0.00 0.00 178.16 179.82 1spu n PHE 378 N -3.92 0.00 -2.40 0.10 -1.74 -1.26 -4.91 117.46 103.33 1spu n PHE 378 Ca 0.23 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.69 1spu n PHE 378 Cb 1.23 -0.04 -0.02 0.00 1.52 0.00 0.00 39.48 42.17 1spu n PHE 378 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1spu s LYS 379 N -2.39 3.89 -0.50 3.97 1.02 0.17 -4.56 119.74 121.34 1spu s LYS 379 Ca 0.23 1.25 0.07 0.00 0.02 0.00 0.00 55.97 57.53 1spu s LYS 379 Cb 0.19 -3.90 0.21 0.00 -0.52 0.00 0.00 37.83 33.81 1spu s LYS 379 CO 0.50 -1.16 0.74 0.00 -0.92 0.00 0.00 175.35 174.52 1spu n ALA 380 N 7.74 -1.27 -2.26 5.17 0.00 -1.25 -1.66 120.51 126.97 1spu n ALA 380 Ca 0.15 -1.37 -0.42 0.00 0.00 0.00 0.00 53.44 51.81 1spu n ALA 380 Cb 0.47 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 1spu n ALA 380 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1spu s TYR 381 N 0.69 3.45 -0.81 0.00 2.02 -1.00 -4.78 117.35 116.92 1spu s TYR 381 Ca 0.31 1.37 0.02 0.00 -0.37 0.00 0.00 57.07 58.40 1spu s TYR 381 Cb 0.08 -3.41 0.29 0.00 -0.40 0.00 0.00 41.96 38.52 1spu s TYR 381 CO -0.12 -1.19 1.14 1.28 -1.57 0.00 0.00 175.55 175.09 1spu n LEU 382 N 3.32 5.15 -0.30 -1.29 4.77 -1.26 -0.93 117.00 126.46 1spu n LEU 382 Ca 0.07 -5.41 0.16 0.00 -0.03 0.00 0.00 56.01 50.80 1spu n LEU 382 Cb 0.46 -0.90 0.42 0.00 -2.33 0.00 0.00 43.42 41.07 1spu n LEU 382 CO 0.55 1.99 1.21 0.44 -1.33 0.00 0.00 177.39 180.26 1spu h ASP 383 N 4.38 0.59 0.00 -1.43 3.32 -1.93 0.29 116.42 121.64 1spu h ASP 383 Ca 0.23 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1spu h ASP 383 Cb 0.58 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1spu h ASP 383 CO 1.03 0.23 -0.03 0.77 -1.72 0.00 0.00 179.24 179.53 1spu h SER 384 N 0.59 0.02 0.37 6.45 4.64 -1.84 -1.34 113.55 122.44 1spu h SER 384 Ca 0.52 -0.82 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 1spu h SER 384 Cb 1.02 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1spu h SER 384 CO -0.26 0.84 -0.18 1.23 -0.87 0.00 0.00 176.83 177.59 1spu h GLY 385 N -0.79 -0.52 1.23 -0.77 0.00 -1.77 0.12 103.07 100.57 1spu h GLY 385 Ca -0.00 0.19 -0.24 0.00 0.00 0.00 0.00 47.33 47.28 1spu h GLY 385 CO 0.01 -0.19 -1.45 -0.55 0.00 0.00 0.00 176.54 174.35 1spu h ASP 386 N -0.52 0.00 0.00 0.19 3.32 -0.62 -3.42 116.42 115.37 1spu h ASP 386 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1spu h ASP 386 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1spu h ASP 386 CO 0.08 0.89 -0.96 -1.22 -1.72 0.00 0.00 179.24 176.31 1spu n TYR 387 N -3.08 0.00 -1.74 4.55 4.02 -0.56 -0.74 117.16 119.61 1spu n TYR 387 Ca -0.11 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.77 1spu n TYR 387 Cb 0.97 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 40.20 1spu n TYR 387 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1spu n GLY 388 N 1.85 -1.89 0.28 2.72 0.00 0.43 -4.84 105.19 103.73 1spu n GLY 388 Ca -0.00 0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1spu n GLY 388 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1spu h MET 389 N 0.46 0.76 -0.63 1.61 2.86 -1.00 -2.22 114.93 116.77 1spu h MET 389 Ca 0.00 -0.24 0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1spu h MET 389 Cb 0.10 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 1spu h MET 389 CO 0.03 0.83 0.35 0.78 1.06 0.00 0.00 176.91 179.96 1spu h GLY 390 N 0.97 0.91 1.04 8.32 0.00 -0.71 -1.68 103.07 111.92 1spu h GLY 390 Ca 0.12 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1spu h GLY 390 CO 0.03 0.17 0.11 -0.84 0.00 0.00 0.00 176.54 176.02 1spu h THR 391 N 0.67 1.26 -0.16 4.70 2.02 -0.43 -2.95 112.91 118.02 1spu h THR 391 Ca 0.27 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1spu h THR 391 Cb 0.14 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1spu h THR 391 CO -0.16 0.37 0.00 0.18 0.37 0.00 0.00 175.52 176.28 1spu n LEU 392 N -4.29 1.17 -4.58 2.58 4.77 -0.77 -4.95 117.00 110.93 1spu n LEU 392 Ca 0.03 -0.59 -0.47 0.00 -0.03 0.00 0.00 56.01 54.95 1spu n LEU 392 Cb 0.27 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1spu n LEU 392 CO 0.42 0.25 0.66 0.41 -1.33 0.00 0.00 177.39 177.80 1spu n THR 393 N 0.02 1.25 -3.59 -5.08 -1.04 -0.71 -2.76 114.28 102.38 1spu n THR 393 Ca 0.06 -0.31 -0.38 0.00 -2.04 0.00 0.00 64.05 61.37 1spu n THR 393 Cb 0.22 -0.88 -0.11 0.00 -1.82 0.00 0.00 70.33 67.74 1spu n THR 393 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1spu s SER 394 N -0.19 6.00 0.19 8.00 0.01 0.94 -4.84 113.70 123.80 1spu s SER 394 Ca 0.69 -0.07 -0.33 0.00 1.31 0.00 0.00 55.95 57.55 1spu s SER 394 Cb -0.80 -2.12 -0.14 0.00 0.21 0.00 0.00 66.02 63.17 1spu s SER 394 CO 0.54 -0.07 1.45 -2.65 0.41 0.00 0.00 173.24 172.92 1spu n PRO 395 N 5.06 1.91 -1.69 12.44 -0.02 -1.26 -4.50 135.00 146.95 1spu n PRO 395 Ca -0.14 0.69 -0.44 0.00 -2.02 0.00 0.00 63.50 61.58 1spu n PRO 395 Cb 0.52 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 1spu n PRO 395 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1spu n ILE 396 N 2.55 0.07 -2.74 4.25 2.08 0.23 -4.90 119.36 120.90 1spu n ILE 396 Ca 0.15 -0.01 -0.42 0.00 0.56 0.00 0.00 62.75 63.02 1spu n ILE 396 Cb 0.28 -1.76 -0.04 0.00 -0.75 0.00 0.00 39.64 37.38 1spu n ILE 396 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1spu s ALA 397 N 1.37 3.00 -0.39 -1.39 0.00 -1.26 -4.93 121.76 118.17 1spu s ALA 397 Ca 0.79 -1.54 -0.43 0.00 0.00 0.00 0.00 51.96 50.77 1spu s ALA 397 Cb -0.60 -3.97 -0.18 0.00 0.00 0.00 0.00 23.12 18.37 1spu s ALA 397 CO 0.37 -2.87 1.70 -2.13 0.00 0.00 0.00 175.76 172.83 1spu n ARG 398 N 8.23 0.61 0.00 0.00 0.63 -1.26 -1.24 116.66 123.63 1spu n ARG 398 Ca -0.00 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 1spu n ARG 398 Cb 0.47 -1.83 0.00 0.00 0.45 0.00 0.00 32.46 31.55 1spu n ARG 398 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1spu n GLY 399 N 4.23 3.14 0.36 5.14 0.00 -0.81 -4.76 105.19 112.48 1spu n GLY 399 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 1spu n GLY 399 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1spu n LYS 400 N -1.95 0.44 0.10 1.61 5.02 -0.59 -4.45 118.16 118.34 1spu n LYS 400 Ca 0.00 0.19 -0.05 0.00 -2.02 0.00 0.00 58.31 56.43 1spu n LYS 400 Cb 0.00 -1.24 0.05 0.00 -0.02 0.00 0.00 35.03 33.82 1spu n LYS 400 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1spu h ASP 401 N -0.73 0.13 -4.45 4.39 3.32 -1.47 -3.45 116.42 114.16 1spu h ASP 401 Ca -0.53 -0.10 -0.35 0.00 0.02 0.00 0.00 57.03 56.07 1spu h ASP 401 Cb 1.47 -0.04 -0.20 0.00 0.22 0.00 0.00 39.33 40.78 1spu h ASP 401 CO -0.32 0.85 -0.75 0.00 -1.72 0.00 0.00 179.24 177.30 1spu s ALA 402 N -3.34 1.07 0.88 3.45 0.00 -1.25 -4.96 121.76 117.61 1spu s ALA 402 Ca -0.02 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.77 1spu s ALA 402 Cb 0.11 -0.02 0.12 0.00 0.00 0.00 0.00 23.12 23.33 1spu s ALA 402 CO 0.80 0.05 1.10 -1.25 0.00 0.00 0.00 175.76 176.46 1spu s PRO 403 N -2.21 1.37 0.58 0.00 0.04 -1.26 -1.93 135.00 131.59 1spu s PRO 403 Ca 0.01 1.18 0.35 0.00 0.04 0.00 0.00 61.00 62.58 1spu s PRO 403 Cb -0.07 -1.79 1.90 0.00 0.04 0.00 0.00 34.50 34.58 1spu s PRO 403 CO 0.01 -2.27 2.06 0.66 0.04 0.00 0.00 177.00 177.51 1spu h SER 404 N -1.59 0.00 -0.59 6.66 4.64 -1.86 -2.14 113.55 118.67 1spu h SER 404 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1spu h SER 404 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1spu h SER 404 CO 0.49 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.99 1spu n ASN 405 N -2.81 4.67 -4.87 4.97 6.94 -1.24 -4.91 115.26 118.00 1spu n ASN 405 Ca -0.02 -2.51 -0.30 0.00 -0.02 0.00 0.00 54.58 51.73 1spu n ASN 405 Cb 0.15 -0.58 0.01 0.00 -2.36 0.00 0.00 39.78 36.99 1spu n ASN 405 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1spu s ALA 406 N -1.99 3.14 -0.24 -2.53 0.00 -0.80 -4.70 121.76 114.64 1spu s ALA 406 Ca 0.48 -0.15 -0.05 0.00 0.00 0.00 0.00 51.96 52.25 1spu s ALA 406 Cb 0.32 -3.01 -0.00 0.00 0.00 0.00 0.00 23.12 20.43 1spu s ALA 406 CO 0.21 -0.64 -0.00 0.08 0.00 0.00 0.00 175.76 175.41 1spu s VAL 407 N -3.11 3.58 -0.27 0.00 1.01 -0.28 -4.39 120.40 116.94 1spu s VAL 407 Ca 0.54 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 1spu s VAL 407 Cb -0.11 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1spu s VAL 407 CO 0.53 0.32 0.15 -0.76 0.00 0.00 0.00 175.10 175.34 1spu s LEU 408 N 1.49 3.84 0.19 3.92 1.43 -1.26 -0.63 118.68 127.65 1spu s LEU 408 Ca 0.05 -0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 52.99 1spu s LEU 408 Cb -0.15 -2.06 -0.07 0.00 0.03 0.00 0.00 46.19 43.95 1spu s LEU 408 CO -0.01 -0.04 0.49 -0.76 0.23 0.00 0.00 176.35 176.25 1spu s LEU 409 N 1.68 4.22 0.02 1.79 1.43 0.21 -4.75 118.68 123.28 1spu s LEU 409 Ca 0.07 0.83 0.01 0.00 -1.03 0.00 0.00 54.13 54.00 1spu s LEU 409 Cb -0.16 -3.49 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1spu s LEU 409 CO 0.08 -0.00 0.08 0.20 0.23 0.00 0.00 176.35 176.94 1spu s ASN 410 N -2.28 5.65 0.01 2.29 0.01 -1.26 0.12 114.94 119.48 1spu s ASN 410 Ca 0.44 0.11 0.02 0.00 -0.71 0.00 0.00 52.86 52.72 1spu s ASN 410 Cb -0.12 -1.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.93 1spu s ASN 410 CO 0.22 0.24 -0.08 -1.61 -1.51 0.00 0.00 177.10 174.36 1spu s GLU 411 N -1.92 0.59 -0.12 -0.60 0.41 0.08 -4.91 118.70 112.23 1spu s GLU 411 Ca 0.25 -0.38 -0.01 0.00 -0.41 0.00 0.00 54.97 54.42 1spu s GLU 411 Cb -0.12 -0.53 -0.02 0.00 -1.78 0.00 0.00 34.13 31.67 1spu s GLU 411 CO 0.16 0.14 -0.09 0.99 -0.49 0.00 0.00 175.26 175.97 1spu s THR 412 N -0.43 3.43 0.22 3.63 2.01 -1.26 0.21 115.64 123.45 1spu s THR 412 Ca 0.00 -0.54 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 1spu s THR 412 Cb -0.04 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1spu s THR 412 CO -0.00 0.53 0.11 0.27 -0.69 0.00 0.00 174.62 174.84 1spu s ILE 413 N 0.10 0.25 0.05 1.82 -4.36 0.18 -4.89 121.20 114.35 1spu s ILE 413 Ca -0.04 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.21 1spu s ILE 413 Cb -0.14 -2.53 -0.06 0.00 1.25 0.00 0.00 42.46 40.98 1spu s ILE 413 CO 0.04 -0.03 0.46 0.00 0.24 0.00 0.00 174.94 175.64 1spu s ALA 414 N -3.98 3.66 0.66 2.27 0.00 -1.26 0.17 121.76 123.28 1spu s ALA 414 Ca 0.38 -0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.12 1spu s ALA 414 Cb 0.07 -2.44 0.06 0.00 0.00 0.00 0.00 23.12 20.82 1spu s ALA 414 CO 0.12 0.48 0.93 0.16 0.00 0.00 0.00 175.76 177.45 1spu s ASP 415 N -1.30 4.89 0.32 0.00 1.47 0.11 -4.87 116.67 117.28 1spu s ASP 415 Ca 0.28 0.19 0.17 0.00 1.18 0.00 0.00 52.55 54.37 1spu s ASP 415 Cb -0.16 -0.88 0.91 0.00 -0.34 0.00 0.00 42.92 42.44 1spu s ASP 415 CO 0.16 -1.49 1.45 0.00 0.68 0.00 0.00 175.17 175.98 1spu n TYR 416 N -2.72 0.57 1.07 2.11 4.11 -1.25 0.45 117.16 121.49 1spu n TYR 416 Ca 0.09 0.30 0.12 0.00 -0.00 0.00 0.00 57.90 58.40 1spu n TYR 416 Cb 0.60 -0.86 0.10 0.00 -0.00 0.00 0.00 39.34 39.18 1spu n TYR 416 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1spu n THR 417 N -2.14 0.00 -0.57 -3.48 -2.24 -1.26 0.55 114.28 105.14 1spu n THR 417 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1spu n THR 417 Cb 0.19 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1spu n THR 417 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1spu n GLY 418 N 1.39 0.71 3.72 3.38 0.00 0.17 -4.84 105.19 109.72 1spu n GLY 418 Ca 0.10 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1spu n GLY 418 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1spu s VAL 419 N -2.00 5.33 0.38 1.61 1.01 -1.26 -4.47 120.40 121.01 1spu s VAL 419 Ca 0.00 0.43 -0.27 0.00 0.00 0.00 0.00 61.98 62.14 1spu s VAL 419 Cb 0.00 -3.58 -0.11 0.00 0.00 0.00 0.00 36.38 32.69 1spu s VAL 419 CO 0.00 0.38 1.35 -2.65 0.00 0.00 0.00 175.10 174.19 1spu n PRO 420 N 3.73 2.25 -3.88 2.72 -0.02 -1.26 -0.71 135.00 137.82 1spu n PRO 420 Ca -0.13 0.79 -0.21 0.00 -2.02 0.00 0.00 63.50 61.93 1spu n PRO 420 Cb 0.52 -2.46 -0.17 0.00 -0.02 0.00 0.00 33.50 31.36 1spu n PRO 420 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1spu s MET 421 N -2.07 0.56 -0.40 -0.52 1.75 0.44 -4.82 119.30 114.24 1spu s MET 421 Ca 0.57 0.07 -0.17 0.00 -1.25 0.00 0.00 55.69 54.90 1spu s MET 421 Cb -0.52 -0.82 0.01 0.00 2.84 0.00 0.00 34.83 36.34 1spu s MET 421 CO 0.61 -0.22 0.44 -2.00 -0.65 0.00 0.00 175.02 173.20 1spu s GLU 422 N 1.56 3.27 -0.32 4.11 2.56 -1.26 0.51 118.70 129.13 1spu s GLU 422 Ca -0.01 -0.59 -0.20 0.00 0.00 0.00 0.00 54.97 54.16 1spu s GLU 422 Cb -0.13 -3.91 -0.01 0.00 2.00 0.00 0.00 34.13 32.09 1spu s GLU 422 CO -0.03 -0.76 0.63 0.42 -0.56 0.00 0.00 175.26 174.95 1spu s ILE 423 N 2.17 4.92 0.16 -3.70 1.01 0.55 -4.92 121.20 121.38 1spu s ILE 423 Ca 0.13 0.74 -0.30 0.00 0.00 0.00 0.00 60.65 61.23 1spu s ILE 423 Cb -0.17 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.21 1spu s ILE 423 CO 0.13 -0.20 1.02 -2.16 0.00 0.00 0.00 174.94 173.73 1spu s PRO 424 N 2.64 4.67 -1.42 2.79 0.04 -1.26 -0.74 135.00 141.72 1spu s PRO 424 Ca 0.25 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.83 1spu s PRO 424 Cb -0.15 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.10 1spu s PRO 424 CO 0.13 0.19 0.58 0.54 0.04 0.00 0.00 177.00 178.48 1spu n ARG 425 N 2.43 -3.92 -0.08 4.56 1.74 -1.11 -4.30 116.66 115.98 1spu n ARG 425 Ca 0.02 0.48 -0.13 0.00 -0.77 0.00 0.00 57.85 57.44 1spu n ARG 425 Cb 0.48 -4.85 -0.05 0.00 -1.02 0.00 0.00 32.46 27.02 1spu n ARG 425 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1spu h ALA 426 N 0.87 0.36 -3.66 7.54 0.00 -0.42 0.67 119.26 124.61 1spu h ALA 426 Ca -0.62 -0.37 -0.41 0.00 0.00 0.00 0.00 54.91 53.52 1spu h ALA 426 Cb 1.37 -0.08 -0.32 0.00 0.00 0.00 0.00 17.79 18.77 1spu h ALA 426 CO 0.63 0.32 -0.78 0.42 0.00 0.00 0.00 179.25 179.84 1spu s ILE 427 N -4.36 0.63 -0.15 0.00 1.01 -1.13 -4.39 121.20 112.80 1spu s ILE 427 Ca -0.13 -0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.18 1spu s ILE 427 Cb 0.08 -0.59 -0.05 0.00 0.01 0.00 0.00 42.46 41.90 1spu s ILE 427 CO 0.80 0.22 0.18 0.00 0.00 0.00 0.00 174.94 176.14 1spu s ALA 428 N 0.47 3.74 -0.10 9.38 0.00 -0.65 0.65 121.76 135.25 1spu s ALA 428 Ca -0.07 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.33 1spu s ALA 428 Cb -0.10 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.86 1spu s ALA 428 CO 0.00 0.33 -0.22 0.08 0.00 0.00 0.00 175.76 175.95 1spu s VAL 429 N -0.19 2.27 -0.27 0.00 1.01 0.20 -0.40 120.40 123.01 1spu s VAL 429 Ca 0.13 -0.95 -0.23 0.00 0.00 0.00 0.00 61.98 60.93 1spu s VAL 429 Cb -0.12 -1.88 0.08 0.00 0.00 0.00 0.00 36.38 34.46 1spu s VAL 429 CO 0.02 0.56 0.73 0.72 0.00 0.00 0.00 175.10 177.13 1spu s PHE 430 N 0.22 -0.84 0.18 5.22 -0.71 0.16 -1.12 117.98 121.07 1spu s PHE 430 Ca -0.14 1.93 -0.15 0.00 -1.04 0.00 0.00 56.93 57.53 1spu s PHE 430 Cb -0.17 0.37 -0.07 0.00 -1.21 0.00 0.00 43.02 41.94 1spu s PHE 430 CO 0.07 -0.41 0.59 -2.00 -1.34 0.00 0.00 175.22 172.14 1spu s GLU 431 N 0.72 4.02 0.01 1.99 2.12 -1.26 -0.24 118.70 126.05 1spu s GLU 431 Ca -0.03 0.56 -0.08 0.00 0.36 0.00 0.00 54.97 55.78 1spu s GLU 431 Cb -0.05 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.47 1spu s GLU 431 CO -0.05 0.43 0.15 -0.98 -0.54 0.00 0.00 175.26 174.27 1spu s ARG 432 N -2.08 0.51 -0.02 4.30 1.70 0.17 -4.96 118.95 118.57 1spu s ARG 432 Ca 0.40 -0.42 -0.30 0.00 -0.47 0.00 0.00 55.73 54.94 1spu s ARG 432 Cb -0.15 0.21 -0.04 0.00 -0.57 0.00 0.00 34.95 34.41 1spu s ARG 432 CO 0.20 -0.13 1.22 -0.47 -1.08 0.00 0.00 175.30 175.04 1spu s TYR 433 N -1.52 3.21 -0.36 5.89 5.04 -1.26 -1.27 117.35 127.09 1spu s TYR 433 Ca -0.14 1.20 0.12 0.00 -2.44 0.00 0.00 57.07 55.80 1spu s TYR 433 Cb -0.07 -3.44 0.45 0.00 0.35 0.00 0.00 41.96 39.25 1spu s TYR 433 CO 0.01 -1.41 1.07 0.00 -1.34 0.00 0.00 175.55 173.88 1spu n ALA 434 N 4.92 4.25 -0.18 3.97 0.00 -0.26 -4.93 120.51 128.27 1spu n ALA 434 Ca 0.11 -3.68 0.00 0.00 0.00 0.00 0.00 53.44 49.87 1spu n ALA 434 Cb 0.46 -0.68 -0.00 0.00 0.00 0.00 0.00 19.45 19.23 1spu n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1spu n GLY 435 N -0.39 -1.93 3.72 0.00 0.00 -1.26 -4.62 105.19 100.70 1spu n GLY 435 Ca 0.26 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 1spu n GLY 435 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1spu s PRO 436 N -0.10 4.63 0.17 1.61 0.04 -1.26 0.14 135.00 140.22 1spu s PRO 436 Ca 0.00 1.51 -0.13 0.00 0.04 0.00 0.00 61.00 62.42 1spu s PRO 436 Cb 0.00 -3.38 0.06 0.00 0.04 0.00 0.00 34.50 31.23 1spu s PRO 436 CO 0.00 0.10 1.75 1.49 0.04 0.00 0.00 177.00 180.37 1spu h GLU 437 N 5.86 0.80 -2.59 4.56 4.57 -0.44 -3.41 114.58 123.93 1spu h GLU 437 Ca -0.43 -0.12 0.03 0.00 -1.18 0.00 0.00 59.36 57.67 1spu h GLU 437 Cb 1.21 -0.14 -0.14 0.00 -0.16 0.00 0.00 28.75 29.52 1spu h GLU 437 CO 0.73 0.66 0.34 1.52 -1.18 0.00 0.00 179.01 181.08 1spu s TYR 438 N -5.68 -0.46 -0.12 0.92 -0.85 -1.24 -4.94 117.35 104.97 1spu s TYR 438 Ca -0.13 0.34 -0.21 0.00 -0.52 0.00 0.00 57.07 56.56 1spu s TYR 438 Cb 0.12 0.54 0.05 0.00 0.38 0.00 0.00 41.96 43.05 1spu s TYR 438 CO 0.78 -0.69 0.52 0.21 -1.52 0.00 0.00 175.55 174.84 1spu s LYS 439 N -3.23 0.75 -0.26 -3.49 2.20 -1.26 -1.38 119.74 113.07 1spu s LYS 439 Ca 0.02 0.40 -0.02 0.00 -0.36 0.00 0.00 55.97 56.00 1spu s LYS 439 Cb -0.01 0.35 0.14 0.00 -1.51 0.00 0.00 37.83 36.81 1spu s LYS 439 CO -0.09 -0.16 0.42 -1.58 -0.36 0.00 0.00 175.35 173.57 1spu s HIS 440 N -0.47 -0.98 -1.06 4.03 2.46 0.11 -5.00 115.29 114.38 1spu s HIS 440 Ca -0.06 0.99 -0.06 0.00 0.47 0.00 0.00 55.06 56.40 1spu s HIS 440 Cb -0.03 0.12 0.27 0.00 -0.13 0.00 0.00 32.58 32.81 1spu s HIS 440 CO 0.04 -0.76 1.11 0.94 -2.47 0.00 0.00 174.74 173.61 1spu n GLN 441 N 5.38 3.52 -1.98 2.88 -0.06 -1.26 -1.45 117.38 124.40 1spu n GLN 441 Ca -0.03 -4.49 -0.41 0.00 -2.00 0.00 0.00 57.00 50.07 1spu n GLN 441 Cb 0.50 -2.51 -0.02 0.00 -4.06 0.00 0.00 30.24 24.16 1spu n GLN 441 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1spu s GLU 442 N -1.61 4.25 0.19 3.69 2.56 -1.26 -4.87 118.70 121.66 1spu s GLU 442 Ca 0.31 2.35 -0.33 0.00 0.00 0.00 0.00 54.97 57.30 1spu s GLU 442 Cb -0.06 -3.06 -0.13 0.00 2.00 0.00 0.00 34.13 32.88 1spu s GLU 442 CO -0.05 -0.38 1.63 -0.12 -0.56 0.00 0.00 175.26 175.77 1spu n MET 443 N 1.41 2.43 -1.52 4.30 1.56 -1.26 -1.11 117.12 122.92 1spu n MET 443 Ca 0.03 0.87 -0.18 0.00 -0.27 0.00 0.00 57.70 58.16 1spu n MET 443 Cb 0.40 -2.67 -0.08 0.00 2.15 0.00 0.00 33.22 33.03 1spu n MET 443 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1spu n GLY 444 N 3.47 1.74 3.63 -5.12 0.00 -1.26 -4.97 105.19 102.68 1spu n GLY 444 Ca 0.16 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1spu n GLY 444 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1spu s GLN 445 N -3.51 2.07 0.31 1.61 -1.52 -0.26 -5.11 119.66 113.24 1spu s GLN 445 Ca 0.00 -1.77 -0.29 0.00 -1.95 0.00 0.00 55.36 51.35 1spu s GLN 445 Cb 0.00 -1.91 -0.10 0.00 -0.22 0.00 0.00 33.01 30.78 1spu s GLN 445 CO 0.00 0.12 1.26 -2.14 -0.25 0.00 0.00 175.29 174.28 1spu s PRO 446 N -3.72 4.42 0.61 2.91 0.02 -1.26 -4.65 135.00 133.34 1spu s PRO 446 Ca 0.35 2.11 -0.18 0.00 0.02 0.00 0.00 61.00 63.30 1spu s PRO 446 Cb 0.00 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.40 1spu s PRO 446 CO 0.19 -0.10 1.21 1.21 -0.33 0.00 0.00 177.00 179.18 1spu s ASN 447 N -0.53 5.04 -0.22 2.53 2.47 -1.26 -4.58 114.94 118.38 1spu s ASN 447 Ca 0.48 2.39 0.01 0.00 0.42 0.00 0.00 52.86 56.16 1spu s ASN 447 Cb -0.38 -2.60 0.05 0.00 -1.45 0.00 0.00 41.25 36.87 1spu s ASN 447 CO 0.49 -1.69 -0.10 -0.69 -3.72 0.00 0.00 177.10 171.39 1spu s VAL 448 N -1.65 1.77 -0.03 -5.21 1.01 -0.53 -5.01 120.40 110.76 1spu s VAL 448 Ca 0.77 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 1spu s VAL 448 Cb -0.30 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1spu s VAL 448 CO 0.35 0.09 0.14 -0.44 0.00 0.00 0.00 175.10 175.24 1spu s SER 449 N 1.32 -0.05 0.04 3.32 0.01 -1.26 0.04 113.70 117.11 1spu s SER 449 Ca -0.04 0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.27 1spu s SER 449 Cb -0.17 0.25 -0.02 0.00 0.21 0.00 0.00 66.02 66.29 1spu s SER 449 CO -0.07 -0.22 -0.07 0.42 0.41 0.00 0.00 173.24 173.71 1spu s THR 450 N -0.69 0.48 0.12 1.44 -4.23 -0.48 -5.01 115.64 107.27 1spu s THR 450 Ca -0.08 -0.98 -0.09 0.00 -1.18 0.00 0.00 61.69 59.37 1spu s THR 450 Cb -0.05 -0.54 -0.06 0.00 1.34 0.00 0.00 72.50 73.19 1spu s THR 450 CO 0.01 -0.35 0.43 -1.83 -0.54 0.00 0.00 174.62 172.34 1spu s GLU 451 N -1.42 3.75 0.02 3.99 -1.05 -1.26 0.15 118.70 122.87 1spu s GLU 451 Ca -0.09 0.15 -0.17 0.00 -0.15 0.00 0.00 54.97 54.71 1spu s GLU 451 Cb -0.09 -2.91 -0.06 0.00 -0.44 0.00 0.00 34.13 30.63 1spu s GLU 451 CO 0.00 0.50 0.47 0.50 0.95 0.00 0.00 175.26 177.68 1spu s ARG 452 N -2.22 4.05 -0.05 -4.83 3.52 0.36 -4.10 118.95 115.67 1spu s ARG 452 Ca 0.37 0.53 0.04 0.00 -0.13 0.00 0.00 55.73 56.54 1spu s ARG 452 Cb -0.13 -3.24 -0.00 0.00 -1.56 0.00 0.00 34.95 30.02 1spu s ARG 452 CO 0.20 0.64 -0.18 1.03 -0.81 0.00 0.00 175.30 176.18 1spu s ARG 453 N -0.98 1.96 -0.02 5.12 1.81 -1.26 -1.11 118.95 124.47 1spu s ARG 453 Ca 0.26 -0.63 0.06 0.00 -1.72 0.00 0.00 55.73 53.70 1spu s ARG 453 Cb -0.18 -1.65 -0.01 0.00 -0.45 0.00 0.00 34.95 32.66 1spu s ARG 453 CO 0.15 0.21 -0.20 -1.21 -0.68 0.00 0.00 175.30 173.58 1spu s GLU 454 N 0.15 1.71 -0.36 3.54 2.02 -0.39 -2.88 118.70 122.48 1spu s GLU 454 Ca -0.07 -0.71 -0.12 0.00 0.02 0.00 0.00 54.97 54.08 1spu s GLU 454 Cb -0.13 -1.61 0.01 0.00 0.10 0.00 0.00 34.13 32.50 1spu s GLU 454 CO 0.03 0.40 0.23 -1.17 0.02 0.00 0.00 175.26 174.77 1spu s LEU 455 N -0.36 4.67 -0.13 1.80 2.96 -0.45 0.45 118.68 127.61 1spu s LEU 455 Ca 0.05 -0.72 -0.05 0.00 -0.22 0.00 0.00 54.13 53.19 1spu s LEU 455 Cb -0.09 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 1spu s LEU 455 CO 0.00 -0.33 0.06 -0.69 -1.32 0.00 0.00 176.35 174.07 1spu s VAL 456 N 1.65 4.80 -0.32 1.68 1.01 0.67 -0.70 120.40 129.20 1spu s VAL 456 Ca 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1spu s VAL 456 Cb -0.18 -3.10 0.06 0.00 0.00 0.00 0.00 36.38 33.16 1spu s VAL 456 CO 0.09 0.55 0.03 -0.69 0.00 0.00 0.00 175.10 175.07 1spu s VAL 457 N -0.41 2.98 -0.10 2.92 1.01 0.40 -0.67 120.40 126.53 1spu s VAL 457 Ca 0.09 -1.52 0.01 0.00 0.00 0.00 0.00 61.98 60.56 1spu s VAL 457 Cb -0.12 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1spu s VAL 457 CO 0.02 -0.20 -0.12 -0.60 0.00 0.00 0.00 175.10 174.20 1spu s ARG 458 N 1.22 3.09 -0.02 2.72 3.52 0.47 0.21 118.95 130.16 1spu s ARG 458 Ca -0.03 -0.66 0.02 0.00 -0.13 0.00 0.00 55.73 54.94 1spu s ARG 458 Cb -0.20 -2.58 0.00 0.00 -1.56 0.00 0.00 34.95 30.61 1spu s ARG 458 CO -0.02 0.38 -0.09 -0.46 -0.81 0.00 0.00 175.30 174.31 1spu s TRP 459 N -0.08 0.88 -0.06 5.12 -0.00 0.17 -1.64 118.94 123.33 1spu s TRP 459 Ca -0.01 -0.21 0.05 0.00 -0.00 0.00 0.00 56.10 55.93 1spu s TRP 459 Cb -0.14 -0.62 -0.02 0.00 -0.00 0.00 0.00 33.47 32.70 1spu s TRP 459 CO 0.03 -0.08 -0.22 0.42 -0.00 0.00 0.00 176.95 177.11 1spu s ILE 460 N 0.12 2.34 -0.04 5.86 1.01 -1.26 -0.91 121.20 128.33 1spu s ILE 460 Ca -0.02 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.67 1spu s ILE 460 Cb -0.07 -1.87 0.02 0.00 0.01 0.00 0.00 42.46 40.54 1spu s ILE 460 CO 0.00 0.57 -0.03 -0.55 0.00 0.00 0.00 174.94 174.93 1spu s SER 461 N -0.28 0.77 -0.17 3.58 0.15 0.27 -0.04 113.70 117.97 1spu s SER 461 Ca 0.01 -0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.54 1spu s SER 461 Cb -0.13 -0.37 -0.00 0.00 -1.71 0.00 0.00 66.02 63.81 1spu s SER 461 CO 0.03 -0.06 -0.11 -0.89 1.20 0.00 0.00 173.24 173.41 1spu s THR 462 N 0.85 2.94 -0.24 6.45 2.01 -1.11 -0.07 115.64 126.47 1spu s THR 462 Ca -0.11 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1spu s THR 462 Cb -0.14 -2.28 0.06 0.00 0.01 0.00 0.00 72.50 70.16 1spu s THR 462 CO -0.00 0.49 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.69 1spu s VAL 463 N 0.98 1.45 0.00 3.82 1.01 -1.26 -4.82 120.40 121.58 1spu s VAL 463 Ca -0.01 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1spu s VAL 463 Cb -0.15 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1spu s VAL 463 CO -0.01 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.53 1spu n GLY 464 N 4.69 3.15 2.11 4.51 0.00 -1.26 -4.75 105.19 113.64 1spu n GLY 464 Ca -0.10 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1spu n GLY 464 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1spu n ASN 465 N 9.59 6.42 0.00 1.61 6.94 -1.26 -5.01 115.26 133.55 1spu n ASN 465 Ca 0.00 -3.09 0.00 0.00 -0.02 0.00 0.00 54.58 51.47 1spu n ASN 465 Cb 0.00 -1.14 0.00 0.00 -2.36 0.00 0.00 39.78 36.28 1spu n ASN 465 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1spu n ASP 467 N 0.64 0.00 -4.50 0.53 9.92 0.04 0.20 116.55 123.37 1spu n ASP 467 Ca 0.37 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 54.30 1spu n ASP 467 Cb 0.58 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.94 1spu n ASP 467 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1spu s TYR 468 N 0.00 3.00 -0.14 1.24 2.02 0.89 -1.61 117.35 122.75 1spu s TYR 468 Ca 0.00 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.44 1spu s TYR 468 Cb 0.00 -1.92 0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1spu s TYR 468 CO 0.00 0.00 -0.21 0.42 -1.57 0.00 0.00 175.55 174.20 1spu s ILE 469 N 0.20 2.18 -0.15 2.71 1.01 -0.00 -0.57 121.20 126.58 1spu s ILE 469 Ca -0.03 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1spu s ILE 469 Cb -0.14 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.46 1spu s ILE 469 CO 0.03 0.54 -0.20 -0.36 0.00 0.00 0.00 174.94 174.96 1spu s PHE 470 N 0.82 2.72 -0.14 3.97 0.40 -0.09 0.17 117.98 125.82 1spu s PHE 470 Ca -0.07 -1.31 0.01 0.00 -0.60 0.00 0.00 56.93 54.96 1spu s PHE 470 Cb -0.15 -1.85 -0.00 0.00 0.51 0.00 0.00 43.02 41.52 1spu s PHE 470 CO -0.02 -0.61 -0.17 -0.51 0.70 0.00 0.00 175.22 174.62 1spu s ASP 471 N 0.89 3.58 -0.39 1.36 1.01 -0.31 0.43 116.67 123.25 1spu s ASP 471 Ca -0.05 -0.47 -0.06 0.00 0.71 0.00 0.00 52.55 52.68 1spu s ASP 471 Cb -0.15 -1.53 0.08 0.00 1.01 0.00 0.00 42.92 42.32 1spu s ASP 471 CO -0.03 0.12 0.19 0.26 0.21 0.00 0.00 175.17 175.91 1spu s TRP 472 N 0.62 3.38 -0.36 4.23 0.52 0.13 -0.79 118.94 126.67 1spu s TRP 472 Ca -0.09 -1.78 -0.10 0.00 0.02 0.00 0.00 56.10 54.14 1spu s TRP 472 Cb -0.16 -2.81 0.02 0.00 -1.15 0.00 0.00 33.47 29.37 1spu s TRP 472 CO 0.03 -0.86 0.19 0.42 0.02 0.00 0.00 176.95 176.75 1spu s ILE 473 N 1.33 4.56 -0.39 2.03 1.01 0.30 -0.46 121.20 129.58 1spu s ILE 473 Ca 0.02 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 59.75 1spu s ILE 473 Cb -0.22 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.77 1spu s ILE 473 CO 0.00 -0.15 0.49 -0.36 0.00 0.00 0.00 174.94 174.92 1spu s PHE 474 N 1.57 3.16 0.16 3.97 0.40 0.13 0.93 117.98 128.29 1spu s PHE 474 Ca 0.03 -0.09 -0.25 0.00 -0.60 0.00 0.00 56.93 56.02 1spu s PHE 474 Cb -0.19 -2.95 -0.08 0.00 0.51 0.00 0.00 43.02 40.32 1spu s PHE 474 CO 0.06 -0.64 0.76 -1.01 0.70 0.00 0.00 175.22 175.10 1spu s HIS 475 N 2.32 3.90 0.53 0.36 3.76 0.64 -1.35 115.29 125.45 1spu s HIS 475 Ca 0.16 1.61 0.18 0.00 -0.15 0.00 0.00 55.06 56.86 1spu s HIS 475 Cb -0.16 -2.75 1.33 0.00 1.11 0.00 0.00 32.58 32.11 1spu s HIS 475 CO 0.14 0.52 2.14 1.49 -0.85 0.00 0.00 174.74 178.18 1spu h GLU 476 N 4.33 0.00 0.00 1.40 4.81 -1.82 -1.67 114.58 121.64 1spu h GLU 476 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1spu h GLU 476 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1spu h GLU 476 CO 0.66 0.00 0.00 0.27 -0.73 0.00 0.00 179.01 179.21 1spu n ASN 477 N -4.46 0.00 0.00 1.04 2.04 -1.26 -4.87 115.26 107.75 1spu n ASN 477 Ca -0.02 -1.43 0.00 0.00 -0.44 0.00 0.00 54.58 52.69 1spu n ASN 477 Cb 0.15 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.40 1spu n ASN 477 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1spu n GLY 478 N 0.44 2.49 3.80 4.83 0.00 -0.63 -4.77 105.19 111.35 1spu n GLY 478 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1spu n GLY 478 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1spu s THR 479 N -2.54 3.76 -0.07 2.61 2.01 -1.26 -4.43 115.64 115.73 1spu s THR 479 Ca 0.00 1.00 0.02 0.00 0.31 0.00 0.00 61.69 63.01 1spu s THR 479 Cb 0.00 -3.42 0.02 0.00 0.01 0.00 0.00 72.50 69.11 1spu s THR 479 CO 0.00 -0.34 -0.10 -0.63 -0.69 0.00 0.00 174.62 172.86 1spu s ILE 480 N -2.15 0.98 0.08 1.82 1.01 -0.07 -0.26 121.20 122.60 1spu s ILE 480 Ca 0.66 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 61.00 1spu s ILE 480 Cb -0.17 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 1spu s ILE 480 CO 0.27 0.33 -0.07 -0.83 0.00 0.00 0.00 174.94 174.64 1spu s GLY 481 N 0.86 1.81 -0.22 6.18 0.00 0.26 -1.03 107.32 115.19 1spu s GLY 481 Ca -0.11 -1.16 -0.02 0.00 0.00 0.00 0.00 44.72 43.43 1spu s GLY 481 CO 0.01 -1.11 0.03 -0.42 0.00 0.00 0.00 173.10 171.62 1spu s ILE 482 N -1.18 0.74 0.12 0.90 1.01 -0.60 -0.54 121.20 121.65 1spu s ILE 482 Ca 0.21 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 60.12 1spu s ILE 482 Cb -0.11 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 1spu s ILE 482 CO 0.13 -0.28 -0.06 -1.81 0.00 0.00 0.00 174.94 172.92 1spu s ASP 483 N 1.74 4.56 -0.05 3.58 1.11 0.03 -0.90 116.67 126.75 1spu s ASP 483 Ca 0.00 -0.37 0.00 0.00 0.18 0.00 0.00 52.55 52.36 1spu s ASP 483 Cb -0.17 -0.92 0.02 0.00 1.07 0.00 0.00 42.92 42.92 1spu s ASP 483 CO -0.11 0.15 -0.02 0.00 1.18 0.00 0.00 175.17 176.37 1spu s ALA 484 N -1.38 0.61 0.16 5.23 0.00 -0.58 -1.16 121.76 124.64 1spu s ALA 484 Ca 0.24 -0.03 0.09 0.00 0.00 0.00 0.00 51.96 52.25 1spu s ALA 484 Cb -0.11 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1spu s ALA 484 CO 0.16 -0.16 -0.11 0.20 0.00 0.00 0.00 175.76 175.84 1spu s GLY 485 N 1.26 1.73 -0.06 0.00 0.00 0.44 -1.28 107.32 109.41 1spu s GLY 485 Ca -0.06 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.24 1spu s GLY 485 CO -0.02 -1.44 -0.06 0.00 0.00 0.00 0.00 173.10 171.58 1spu s ALA 486 N -1.56 0.92 0.17 3.20 0.00 -0.03 -0.82 121.76 123.65 1spu s ALA 486 Ca 0.23 -0.23 -0.00 0.00 0.00 0.00 0.00 51.96 51.96 1spu s ALA 486 Cb -0.09 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1spu s ALA 486 CO 0.14 -0.11 0.23 -2.37 0.00 0.00 0.00 175.76 173.65 1spu n THR 487 N 4.28 0.00 0.00 0.00 5.66 -0.64 -1.34 114.28 122.25 1spu n THR 487 Ca -0.20 -0.91 0.00 0.00 -3.05 0.00 0.00 64.05 59.89 1spu n THR 487 Cb 0.51 0.55 0.00 0.00 -1.55 0.00 0.00 70.33 69.84 1spu n THR 487 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1spu n GLY 488 N -0.29 0.31 3.32 1.09 0.00 -1.26 -0.78 105.19 107.58 1spu n GLY 488 Ca 0.01 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 1spu n GLY 488 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1spu s ILE 489 N -0.71 2.07 0.31 -0.61 -1.09 0.13 -1.60 121.20 119.70 1spu s ILE 489 Ca 0.00 -1.19 -0.28 0.00 -2.23 0.00 0.00 60.65 56.95 1spu s ILE 489 Cb 0.00 -1.73 -0.09 0.00 -1.58 0.00 0.00 42.46 39.05 1spu s ILE 489 CO 0.00 0.52 1.03 -1.61 -1.23 0.00 0.00 174.94 173.65 1spu s GLU 490 N -0.79 4.57 -0.30 2.79 2.02 -1.26 -4.72 118.70 121.00 1spu s GLU 490 Ca 0.10 1.60 -0.29 0.00 0.02 0.00 0.00 54.97 56.40 1spu s GLU 490 Cb -0.10 -3.00 0.01 0.00 0.10 0.00 0.00 34.13 31.14 1spu s GLU 490 CO -0.00 0.20 1.15 0.00 0.02 0.00 0.00 175.26 176.63 1spu s ALA 491 N -1.35 3.49 0.31 5.21 0.00 -1.26 -4.91 121.76 123.25 1spu s ALA 491 Ca 0.48 0.04 0.10 0.00 0.00 0.00 0.00 51.96 52.58 1spu s ALA 491 Cb -0.26 -3.69 -0.05 0.00 0.00 0.00 0.00 23.12 19.11 1spu s ALA 491 CO 0.33 -1.51 -0.11 0.14 0.00 0.00 0.00 175.76 174.61 1spu s VAL 492 N 3.80 2.52 -0.15 0.00 -7.23 -1.26 -3.64 120.40 114.44 1spu s VAL 492 Ca 0.49 -2.22 -0.03 0.00 -1.81 0.00 0.00 61.98 58.41 1spu s VAL 492 Cb -0.14 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 1spu s VAL 492 CO 0.17 -0.30 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.85 1spu s LYS 493 N -3.59 3.59 0.08 4.82 2.20 -0.30 -4.86 119.74 121.68 1spu s LYS 493 Ca 0.32 -0.56 -0.31 0.00 -0.36 0.00 0.00 55.97 55.06 1spu s LYS 493 Cb -0.02 -2.85 -0.06 0.00 -1.51 0.00 0.00 37.83 33.39 1spu s LYS 493 CO 0.17 0.22 1.25 0.20 -0.36 0.00 0.00 175.35 176.83 1spu s GLY 494 N 0.39 2.30 0.13 5.54 0.00 -1.26 -1.82 107.32 112.60 1spu s GLY 494 Ca -0.06 0.92 0.02 0.00 0.00 0.00 0.00 44.72 45.60 1spu s GLY 494 CO 0.04 2.12 -0.03 -1.34 0.00 0.00 0.00 173.10 173.88 1spu s VAL 495 N 1.05 0.64 0.07 1.40 -7.23 0.03 -4.86 120.40 111.51 1spu s VAL 495 Ca 0.60 -1.95 0.08 0.00 -1.81 0.00 0.00 61.98 58.90 1spu s VAL 495 Cb -0.31 -1.90 -0.22 0.00 0.56 0.00 0.00 36.38 34.50 1spu s VAL 495 CO 0.30 -0.67 1.11 0.11 -0.31 0.00 0.00 175.10 175.63 1spu h LYS 496 N 2.84 0.02 -6.63 4.82 1.57 -1.93 -3.39 116.57 113.88 1spu h LYS 496 Ca -0.36 -0.03 -0.53 0.00 -1.87 0.00 0.00 60.65 57.87 1spu h LYS 496 Cb 1.18 0.01 0.04 0.00 0.08 0.00 0.00 32.23 33.55 1spu h LYS 496 CO 0.63 0.88 0.80 0.00 -0.57 0.00 0.00 179.45 181.20 1spu s ALA 497 N -2.68 3.69 -0.13 3.86 0.00 -1.26 -4.77 121.76 120.47 1spu s ALA 497 Ca -0.01 1.29 -0.05 0.00 0.00 0.00 0.00 51.96 53.19 1spu s ALA 497 Cb 0.09 -3.58 -0.25 0.00 0.00 0.00 0.00 23.12 19.38 1spu s ALA 497 CO 0.82 -0.72 0.32 1.63 0.00 0.00 0.00 175.76 177.81 1spu n LYS 498 N 3.52 0.75 -4.26 0.00 5.02 -1.26 -0.73 118.16 121.20 1spu n LYS 498 Ca 0.11 0.25 -0.14 0.00 -2.02 0.00 0.00 58.31 56.51 1spu n LYS 498 Cb 0.40 -1.69 -0.10 0.00 -0.02 0.00 0.00 35.03 33.61 1spu n LYS 498 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1spu s THR 499 N -2.56 0.41 -2.00 -0.18 -4.23 -1.26 -4.05 115.64 101.77 1spu s THR 499 Ca -0.23 -1.99 0.15 0.00 -1.18 0.00 0.00 61.69 58.44 1spu s THR 499 Cb 0.07 -2.47 0.41 0.00 1.34 0.00 0.00 72.50 71.85 1spu s THR 499 CO 0.76 -0.11 1.31 0.23 -0.54 0.00 0.00 174.62 176.26 1spu n MET 500 N -0.35 0.59 0.01 3.99 2.81 -1.26 -2.20 117.12 120.71 1spu n MET 500 Ca -0.01 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.99 1spu n MET 500 Cb 0.65 -1.38 0.09 0.00 -0.71 0.00 0.00 33.22 31.87 1spu n MET 500 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1spu n HIS 501 N -0.88 0.07 -2.58 2.03 8.25 -1.26 -4.83 115.22 116.01 1spu n HIS 501 Ca 0.11 0.02 -0.38 0.00 -0.26 0.00 0.00 57.72 57.21 1spu n HIS 501 Cb 0.05 -0.23 -0.05 0.00 1.12 0.00 0.00 29.99 30.88 1spu n HIS 501 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1spu s ASP 502 N -3.24 7.11 0.48 0.41 1.01 -0.93 -4.99 116.67 116.53 1spu s ASP 502 Ca 0.08 2.07 0.19 0.00 0.71 0.00 0.00 52.55 55.61 1spu s ASP 502 Cb 0.16 -2.60 1.21 0.00 1.01 0.00 0.00 42.92 42.70 1spu s ASP 502 CO 0.77 -0.24 1.99 1.05 0.21 0.00 0.00 175.17 178.95 1spu h GLU 503 N 3.22 0.20 -0.01 8.23 4.11 -1.92 0.12 114.58 128.53 1spu h GLU 503 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1spu h GLU 503 Cb 1.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1spu h GLU 503 CO 0.65 0.13 -0.13 0.25 0.07 0.00 0.00 179.01 179.98 1spu n THR 504 N -4.44 0.00 -0.22 -1.06 -2.24 -1.26 -4.50 114.28 100.56 1spu n THR 504 Ca 0.10 -0.21 -0.05 0.00 -2.27 0.00 0.00 64.05 61.61 1spu n THR 504 Cb 0.48 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1spu n THR 504 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1spu h ALA 505 N 4.07 -0.07 -0.45 6.98 0.00 -1.23 0.19 119.26 128.75 1spu h ALA 505 Ca 0.00 0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1spu h ALA 505 Cb 0.55 0.84 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 1spu h ALA 505 CO 0.00 -0.69 0.05 -0.22 0.00 0.00 0.00 179.25 178.39 1spu h LYS 506 N -0.16 0.17 -0.11 0.00 3.64 -1.79 0.03 116.57 118.35 1spu h LYS 506 Ca 0.24 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.42 1spu h LYS 506 Cb 0.56 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1spu h LYS 506 CO -0.71 0.11 -0.70 -0.44 -2.27 0.00 0.00 179.45 175.44 1spu h ASP 507 N 0.17 0.59 -0.38 4.20 3.32 -1.71 -2.90 116.42 119.71 1spu h ASP 507 Ca 0.22 -0.37 0.02 0.00 0.02 0.00 0.00 57.03 56.92 1spu h ASP 507 Cb 0.31 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1spu h ASP 507 CO -0.33 1.11 0.25 0.44 -1.72 0.00 0.00 179.24 179.00 1spu h ASP 508 N 0.35 0.39 -0.45 6.45 3.32 0.03 -2.62 116.42 123.89 1spu h ASP 508 Ca -0.03 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1spu h ASP 508 Cb 1.28 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1spu h ASP 508 CO 0.13 0.28 0.00 0.35 -1.72 0.00 0.00 179.24 178.27 1spu n THR 509 N -4.48 1.61 0.25 0.35 -2.24 -0.07 -4.52 114.28 105.18 1spu n THR 509 Ca 0.03 -1.29 0.08 0.00 -2.27 0.00 0.00 64.05 60.60 1spu n THR 509 Cb 0.11 0.19 0.62 0.00 -2.10 0.00 0.00 70.33 69.14 1spu n THR 509 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1spu h ARG 510 N 2.78 0.00 -0.13 -0.78 2.43 -1.25 -3.02 114.38 114.41 1spu h ARG 510 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1spu h ARG 510 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1spu h ARG 510 CO 0.13 0.05 0.00 0.66 -1.51 0.00 0.00 179.97 179.30 1spu n TYR 511 N -4.43 0.18 -3.60 2.20 4.01 -1.26 -5.06 117.16 109.20 1spu n TYR 511 Ca -0.03 -0.42 0.01 0.00 -0.16 0.00 0.00 57.90 57.30 1spu n TYR 511 Cb 0.13 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 1spu n TYR 511 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1spu s GLY 512 N -0.91 -0.40 0.23 2.72 0.00 -1.14 -0.51 107.32 107.31 1spu s GLY 512 Ca 0.10 1.06 -0.20 0.00 0.00 0.00 0.00 44.72 45.67 1spu s GLY 512 CO 0.07 0.26 0.75 -1.59 0.00 0.00 0.00 173.10 172.59 1spu s THR 513 N -2.25 4.53 -0.72 0.90 2.01 -1.17 -4.31 115.64 114.63 1spu s THR 513 Ca 0.13 1.35 -0.27 0.00 0.31 0.00 0.00 61.69 63.22 1spu s THR 513 Cb 0.04 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.69 1spu s THR 513 CO -0.05 0.22 1.44 -0.22 -0.69 0.00 0.00 174.62 175.31 1spu s LEU 514 N -1.94 3.21 0.00 4.42 2.96 -1.26 -0.91 118.68 125.15 1spu s LEU 514 Ca 0.43 -0.31 0.25 0.00 -0.22 0.00 0.00 54.13 54.28 1spu s LEU 514 Cb -0.17 -2.55 0.41 0.00 0.50 0.00 0.00 46.19 44.38 1spu s LEU 514 CO 0.21 -1.97 1.35 2.30 -1.32 0.00 0.00 176.35 176.93 1spu n ILE 515 N 6.62 0.00 -3.74 6.68 -5.35 -0.87 -4.77 119.36 117.93 1spu n ILE 515 Ca 0.09 -0.16 -0.03 0.00 -0.27 0.00 0.00 62.75 62.38 1spu n ILE 515 Cb 0.50 0.73 -0.01 0.00 -1.74 0.00 0.00 39.64 39.12 1spu n ILE 515 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1spu s ASP 516 N -2.55 -0.16 0.08 7.28 2.15 -1.21 -4.54 116.67 117.74 1spu s ASP 516 Ca 0.21 -0.38 -0.31 0.00 0.43 0.00 0.00 52.55 52.50 1spu s ASP 516 Cb 0.19 0.45 -0.10 0.00 -0.30 0.00 0.00 42.92 43.16 1spu s ASP 516 CO 0.57 -0.83 1.88 -1.00 -0.17 0.00 0.00 175.17 175.62 1spu s HIS 517 N -3.16 1.80 -1.03 -5.34 3.76 -1.26 -2.32 115.29 107.74 1spu s HIS 517 Ca 0.13 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.85 1spu s HIS 517 Cb -0.01 -4.20 0.00 0.00 1.11 0.00 0.00 32.58 29.49 1spu s HIS 517 CO 0.02 -5.11 0.00 0.09 -0.85 0.00 0.00 174.74 168.88 1spu n ASN 518 N 6.46 -5.19 -4.01 1.40 4.13 0.10 -4.96 115.26 113.19 1spu n ASN 518 Ca 0.19 0.24 -0.26 0.00 1.68 0.00 0.00 54.58 56.42 1spu n ASN 518 Cb 0.39 -3.55 -0.17 0.00 -1.54 0.00 0.00 39.78 34.92 1spu n ASN 518 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1spu s ILE 519 N -2.02 1.23 -0.15 2.41 1.01 -0.98 -0.79 121.20 121.91 1spu s ILE 519 Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1spu s ILE 519 Cb 0.00 -1.14 0.01 0.00 0.01 0.00 0.00 42.46 41.34 1spu s ILE 519 CO 0.00 0.38 -0.21 -0.69 0.00 0.00 0.00 174.94 174.43 1spu s VAL 520 N 0.98 2.14 -0.74 2.92 1.01 -0.76 -2.04 120.40 123.91 1spu s VAL 520 Ca -0.08 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.72 1spu s VAL 520 Cb -0.15 -1.87 0.06 0.00 0.00 0.00 0.00 36.38 34.43 1spu s VAL 520 CO -0.00 0.54 1.13 -0.83 0.00 0.00 0.00 175.10 175.93 1spu s GLY 521 N 0.93 1.26 0.28 4.51 0.00 -0.09 -1.15 107.32 113.05 1spu s GLY 521 Ca -0.04 -1.82 -0.30 0.00 0.00 0.00 0.00 44.72 42.56 1spu s GLY 521 CO -0.04 2.30 1.44 2.41 0.00 0.00 0.00 173.10 179.22 1spu n THR 522 N 6.12 1.24 -2.15 0.90 -1.04 -1.24 -3.02 114.28 115.09 1spu n THR 522 Ca 0.04 -0.31 -0.38 0.00 -2.04 0.00 0.00 64.05 61.36 1spu n THR 522 Cb 0.47 -1.66 -0.00 0.00 -1.82 0.00 0.00 70.33 67.32 1spu n THR 522 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1spu s THR 523 N -0.30 2.85 0.35 12.58 2.01 0.33 -4.89 115.64 128.57 1spu s THR 523 Ca 0.64 0.69 -0.14 0.00 0.31 0.00 0.00 61.69 63.18 1spu s THR 523 Cb -0.58 -3.37 0.06 0.00 0.01 0.00 0.00 72.50 68.61 1spu s THR 523 CO 0.53 0.04 0.75 0.00 -0.69 0.00 0.00 174.62 175.25 1spu n HIS 524 N -0.25 -2.18 -4.28 4.92 1.44 -1.17 -2.32 115.22 111.38 1spu n HIS 524 Ca 0.06 -1.66 -0.15 0.00 -2.01 0.00 0.00 57.72 53.96 1spu n HIS 524 Cb 0.46 0.83 -0.10 0.00 0.12 0.00 0.00 29.99 31.30 1spu n HIS 524 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1spu s GLN 525 N -2.08 1.18 -0.21 -1.40 -0.21 -0.77 -0.13 119.66 116.05 1spu s GLN 525 Ca 0.15 -1.56 0.01 0.00 0.02 0.00 0.00 55.36 53.99 1spu s GLN 525 Cb -0.04 -0.53 0.04 0.00 1.00 0.00 0.00 33.01 33.48 1spu s GLN 525 CO 0.10 -0.04 -0.13 -1.01 -2.12 0.00 0.00 175.29 172.09 1spu s HIS 526 N -3.45 2.72 -0.23 0.91 3.76 -0.43 -3.60 115.29 114.98 1spu s HIS 526 Ca 0.23 -1.77 -0.00 0.00 -0.15 0.00 0.00 55.06 53.37 1spu s HIS 526 Cb 0.05 -1.79 0.03 0.00 1.11 0.00 0.00 32.58 31.97 1spu s HIS 526 CO 0.04 -0.79 -0.11 0.42 -0.85 0.00 0.00 174.74 173.45 1spu s ILE 527 N 1.30 2.56 -0.01 0.60 1.01 0.71 -0.20 121.20 127.17 1spu s ILE 527 Ca -0.01 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.62 1spu s ILE 527 Cb -0.16 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1spu s ILE 527 CO -0.09 0.30 -0.00 -0.31 0.00 0.00 0.00 174.94 174.83 1spu s TYR 528 N 1.30 3.07 -0.05 3.97 2.02 0.35 -1.32 117.35 126.69 1spu s TYR 528 Ca 0.01 0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.81 1spu s TYR 528 Cb -0.16 -1.68 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1spu s TYR 528 CO -0.07 0.45 -0.10 1.21 -1.57 0.00 0.00 175.55 175.48 1spu s ASN 529 N -1.47 1.41 -0.11 2.29 2.47 -0.15 -0.90 114.94 118.48 1spu s ASN 529 Ca 0.19 -0.22 0.01 0.00 0.42 0.00 0.00 52.86 53.25 1spu s ASN 529 Cb -0.11 -0.57 -0.02 0.00 -1.45 0.00 0.00 41.25 39.09 1spu s ASN 529 CO 0.09 0.03 -0.13 -0.36 -3.72 0.00 0.00 177.10 173.01 1spu s PHE 530 N 0.56 2.80 -0.45 0.43 0.08 0.48 0.11 117.98 121.99 1spu s PHE 530 Ca -0.10 -0.46 -0.14 0.00 0.12 0.00 0.00 56.93 56.35 1spu s PHE 530 Cb -0.13 -1.79 0.06 0.00 -0.57 0.00 0.00 43.02 40.59 1spu s PHE 530 CO 0.02 -0.07 0.35 0.50 -0.10 0.00 0.00 175.22 175.92 1spu s ARG 531 N 0.00 2.92 -0.33 0.44 3.52 -0.59 -0.33 118.95 124.58 1spu s ARG 531 Ca -0.03 -1.28 0.04 0.00 -0.13 0.00 0.00 55.73 54.33 1spu s ARG 531 Cb -0.14 -4.03 0.10 0.00 -1.56 0.00 0.00 34.95 29.32 1spu s ARG 531 CO 0.04 -0.94 0.04 -0.51 -0.81 0.00 0.00 175.30 173.12 1spu s LEU 532 N 1.62 4.67 -1.34 -0.88 1.43 0.15 -1.67 118.68 122.66 1spu s LEU 532 Ca 0.04 -2.10 -0.13 0.00 -1.03 0.00 0.00 54.13 50.91 1spu s LEU 532 Cb -0.23 -1.62 0.10 0.00 0.03 0.00 0.00 46.19 44.47 1spu s LEU 532 CO 0.07 -0.37 1.90 -0.67 0.23 0.00 0.00 176.35 177.52 1spu n ASP 533 N 4.27 4.65 -4.76 2.29 2.03 0.50 0.21 116.55 125.75 1spu n ASP 533 Ca 0.03 -2.96 -0.41 0.00 0.52 0.00 0.00 54.79 51.97 1spu n ASP 533 Cb 0.42 -1.61 -0.03 0.00 -0.72 0.00 0.00 41.12 39.17 1spu n ASP 533 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1spu s LEU 534 N 1.85 4.48 -0.50 -2.67 1.43 -1.26 -0.88 118.68 121.13 1spu s LEU 534 Ca 0.46 2.42 0.03 0.00 -1.03 0.00 0.00 54.13 56.00 1spu s LEU 534 Cb 0.08 -3.63 0.14 0.00 0.03 0.00 0.00 46.19 42.81 1spu s LEU 534 CO -0.01 -0.36 0.29 -1.81 0.23 0.00 0.00 176.35 174.68 1spu s ASP 535 N -0.39 3.81 -0.81 2.29 1.01 -0.61 -4.64 116.67 117.32 1spu s ASP 535 Ca 0.49 -2.93 -0.25 0.00 0.71 0.00 0.00 52.55 50.57 1spu s ASP 535 Cb -0.35 -1.22 0.01 0.00 1.01 0.00 0.00 42.92 42.37 1spu s ASP 535 CO 0.44 -0.22 1.58 -0.69 0.21 0.00 0.00 175.17 176.48 1spu s VAL 536 N -0.09 3.64 -1.53 -1.27 1.01 -1.26 -2.95 120.40 117.95 1spu s VAL 536 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1spu s VAL 536 Cb -0.20 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.62 1spu s VAL 536 CO -0.04 -1.50 0.00 -0.67 0.00 0.00 0.00 175.10 172.90 1spu n ASP 537 N 10.87 -5.03 0.00 3.32 2.03 0.24 -4.47 116.55 123.51 1spu n ASP 537 Ca 0.22 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.64 1spu n ASP 537 Cb 0.50 -4.25 0.00 0.00 -0.72 0.00 0.00 41.12 36.65 1spu n ASP 537 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1spu n GLY 538 N -0.85 2.90 0.17 0.27 0.00 -1.23 -4.88 105.19 101.57 1spu n GLY 538 Ca -0.20 -1.47 -0.16 0.00 0.00 0.00 0.00 46.02 44.19 1spu n GLY 538 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1spu h GLU 539 N 0.00 0.54 -6.08 1.61 4.81 -1.87 -3.40 114.58 110.20 1spu h GLU 539 Ca 0.00 -0.42 -0.61 0.00 -0.13 0.00 0.00 59.36 58.21 1spu h GLU 539 Cb 0.00 0.08 -0.11 0.00 0.63 0.00 0.00 28.75 29.35 1spu h GLU 539 CO 0.00 1.04 0.55 -0.80 -0.73 0.00 0.00 179.01 179.08 1spu s ASN 540 N -6.66 6.47 0.21 1.04 0.01 -1.26 -3.37 114.94 111.38 1spu s ASN 540 Ca -0.13 0.04 0.05 0.00 -0.71 0.00 0.00 52.86 52.12 1spu s ASN 540 Cb 0.06 -2.44 -0.05 0.00 0.41 0.00 0.00 41.25 39.23 1spu s ASN 540 CO 0.83 -1.05 -0.07 0.20 -1.51 0.00 0.00 177.10 175.49 1spu s ASN 541 N 2.31 2.18 0.04 -1.22 0.01 -0.63 -4.24 114.94 113.38 1spu s ASN 541 Ca 0.35 -1.11 0.02 0.00 -0.71 0.00 0.00 52.86 51.41 1spu s ASN 541 Cb -0.11 -0.06 -0.02 0.00 0.41 0.00 0.00 41.25 41.47 1spu s ASN 541 CO 0.25 -0.35 -0.07 -0.44 -1.51 0.00 0.00 177.10 174.98 1spu s SER 542 N -3.30 0.75 -0.18 -1.22 0.01 0.18 -0.42 113.70 109.51 1spu s SER 542 Ca 0.24 -0.53 -0.14 0.00 1.31 0.00 0.00 55.95 56.83 1spu s SER 542 Cb 0.03 0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.26 1spu s SER 542 CO 0.07 -0.21 0.29 -0.22 0.41 0.00 0.00 173.24 173.57 1spu s LEU 543 N -1.52 4.20 -0.05 2.44 2.96 -1.23 -1.95 118.68 123.52 1spu s LEU 543 Ca -0.11 0.44 0.05 0.00 -0.22 0.00 0.00 54.13 54.28 1spu s LEU 543 Cb -0.10 -2.35 -0.00 0.00 0.50 0.00 0.00 46.19 44.24 1spu s LEU 543 CO 0.00 0.06 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.22 1spu s VAL 544 N 0.72 1.58 -0.05 1.68 1.01 -0.59 -0.34 120.40 124.41 1spu s VAL 544 Ca 0.15 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1spu s VAL 544 Cb -0.13 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1spu s VAL 544 CO 0.04 0.45 0.02 0.00 0.00 0.00 0.00 175.10 175.62 1spu s ALA 545 N 0.05 3.37 -0.31 5.51 0.00 0.37 -1.93 121.76 128.81 1spu s ALA 545 Ca -0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 1spu s ALA 545 Cb -0.13 -1.48 0.11 0.00 0.00 0.00 0.00 23.12 21.62 1spu s ALA 545 CO 0.03 0.63 0.13 -1.64 0.00 0.00 0.00 175.76 174.91 1spu s MET 546 N -1.26 0.50 -0.32 0.00 -1.94 -0.37 -0.37 119.30 115.54 1spu s MET 546 Ca 0.17 -0.91 -0.12 0.00 -1.71 0.00 0.00 55.69 53.12 1spu s MET 546 Cb -0.12 -1.59 -0.02 0.00 2.01 0.00 0.00 34.83 35.11 1spu s MET 546 CO 0.07 -1.03 0.21 -0.51 -0.01 0.00 0.00 175.02 173.75 1spu s ASP 547 N 1.71 5.92 -0.03 3.03 1.01 0.18 -2.11 116.67 126.38 1spu s ASP 547 Ca 0.11 -0.39 -0.30 0.00 0.71 0.00 0.00 52.55 52.68 1spu s ASP 547 Cb -0.18 -2.10 -0.06 0.00 1.01 0.00 0.00 42.92 41.60 1spu s ASP 547 CO -0.27 -0.20 1.58 -2.84 0.21 0.00 0.00 175.17 173.65 1spu s PRO 548 N 1.70 4.21 0.11 8.23 0.02 -1.26 0.29 135.00 148.30 1spu s PRO 548 Ca 0.06 2.13 0.04 0.00 0.02 0.00 0.00 61.00 63.25 1spu s PRO 548 Cb -0.17 -3.83 -0.04 0.00 0.02 0.00 0.00 34.50 30.48 1spu s PRO 548 CO 0.09 -0.77 -0.11 0.14 -0.33 0.00 0.00 177.00 176.03 1spu s VAL 549 N 3.47 1.07 -0.42 3.83 -7.23 0.35 -4.89 120.40 116.58 1spu s VAL 549 Ca 0.70 -1.73 -0.16 0.00 -1.81 0.00 0.00 61.98 58.98 1spu s VAL 549 Cb -0.33 -1.48 0.03 0.00 0.56 0.00 0.00 36.38 35.15 1spu s VAL 549 CO 0.28 -0.56 0.39 -0.69 -0.31 0.00 0.00 175.10 174.21 1spu s VAL 550 N -2.52 5.16 0.08 1.32 1.01 -1.26 -0.45 120.40 123.74 1spu s VAL 550 Ca 0.08 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1spu s VAL 550 Cb -0.02 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1spu s VAL 550 CO 0.01 -0.41 -0.07 -0.54 0.00 0.00 0.00 175.10 174.09 1spu s LYS 551 N 1.94 2.30 0.35 2.72 -0.14 -0.47 -4.92 119.74 121.52 1spu s LYS 551 Ca 0.09 -0.93 -0.28 0.00 -1.36 0.00 0.00 55.97 53.49 1spu s LYS 551 Cb -0.18 -2.39 -0.11 0.00 -1.68 0.00 0.00 37.83 33.46 1spu s LYS 551 CO 0.12 0.53 1.48 -2.14 -0.76 0.00 0.00 175.35 174.58 1spu s PRO 552 N -2.08 4.15 -0.26 -1.68 0.02 -1.26 0.93 135.00 134.81 1spu s PRO 552 Ca 0.22 2.52 -0.29 0.00 0.02 0.00 0.00 61.00 63.46 1spu s PRO 552 Cb -0.11 -2.99 -0.01 0.00 0.02 0.00 0.00 34.50 31.40 1spu s PRO 552 CO 0.14 -0.50 1.45 1.21 -0.33 0.00 0.00 177.00 178.97 1spu s ASN 553 N -0.07 6.53 0.00 2.53 3.04 -0.46 -4.65 114.94 121.86 1spu s ASN 553 Ca 0.54 1.42 0.11 0.00 0.04 0.00 0.00 52.86 54.97 1spu s ASN 553 Cb -0.46 -2.54 0.05 0.00 -1.54 0.00 0.00 41.25 36.77 1spu s ASN 553 CO 0.59 -1.16 0.78 0.35 -3.04 0.00 0.00 177.10 174.62 1spu n THR 554 N 6.29 0.00 1.25 -5.21 -2.24 -1.26 -4.60 114.28 108.52 1spu n THR 554 Ca 0.17 -0.45 0.13 0.00 -2.27 0.00 0.00 64.05 61.63 1spu n THR 554 Cb 0.46 1.19 0.37 0.00 -2.10 0.00 0.00 70.33 70.25 1spu n THR 554 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1spu n ALA 555 N 0.25 3.05 0.00 6.98 0.00 -1.26 -5.07 120.51 124.46 1spu n ALA 555 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1spu n ALA 555 Cb 0.26 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1spu n ALA 555 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1spu n GLY 556 N 1.33 -0.04 1.11 0.00 0.00 -1.26 -5.12 105.19 101.21 1spu n GLY 556 Ca 0.13 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1spu n GLY 556 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1spu n GLY 557 N 0.06 -2.84 0.22 -0.02 0.00 -1.26 -4.54 105.19 96.81 1spu n GLY 557 Ca 0.00 -1.88 0.16 0.00 0.00 0.00 0.00 46.02 44.30 1spu n GLY 557 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1spu h PRO 558 N 0.00 0.00 -6.50 1.61 0.11 -2.03 -3.45 132.00 121.74 1spu h PRO 558 Ca 0.00 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.58 1spu h PRO 558 Cb 0.00 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.13 1spu h PRO 558 CO 0.00 0.00 0.87 1.03 -0.21 0.00 0.00 178.00 179.69 1spu s ARG 559 N -3.60 4.25 0.24 1.05 1.81 -1.26 -4.93 118.95 116.51 1spu s ARG 559 Ca 0.01 2.21 0.22 0.00 -1.72 0.00 0.00 55.73 56.45 1spu s ARG 559 Cb 0.09 -3.40 0.05 0.00 -0.45 0.00 0.00 34.95 31.24 1spu s ARG 559 CO 0.43 -0.60 1.13 1.79 -0.68 0.00 0.00 175.30 177.37 1spu h THR 560 N 4.50 0.02 -4.36 0.02 1.35 -1.91 -3.41 112.91 109.13 1spu h THR 560 Ca -0.42 -1.04 -0.19 0.00 -0.55 0.00 0.00 66.41 64.21 1spu h THR 560 Cb 1.20 1.60 -0.14 0.00 -1.73 0.00 0.00 68.15 69.09 1spu h THR 560 CO 0.90 0.01 -0.51 -0.94 -0.25 0.00 0.00 175.52 174.74 1spu s SER 561 N -5.52 0.11 0.17 5.36 1.04 -1.26 -1.36 113.70 112.23 1spu s SER 561 Ca 0.01 -1.26 0.01 0.00 0.48 0.00 0.00 55.95 55.18 1spu s SER 561 Cb 0.09 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1spu s SER 561 CO 0.77 -0.90 0.04 0.42 0.98 0.00 0.00 173.24 174.55 1spu s THR 562 N -4.12 0.45 -0.32 2.02 -4.23 0.26 -4.56 115.64 105.14 1spu s THR 562 Ca 0.34 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1spu s THR 562 Cb 0.05 -2.17 0.08 0.00 1.34 0.00 0.00 72.50 71.80 1spu s THR 562 CO 0.10 -0.40 0.03 -0.04 -0.54 0.00 0.00 174.62 173.78 1spu s MET 563 N -3.98 2.10 0.46 3.99 -1.94 -1.26 -1.37 119.30 117.30 1spu s MET 563 Ca 0.26 -1.54 0.03 0.00 -1.71 0.00 0.00 55.69 52.74 1spu s MET 563 Cb 0.07 -3.22 -0.03 0.00 2.01 0.00 0.00 34.83 33.65 1spu s MET 563 CO 0.05 -0.78 0.02 -0.65 -0.01 0.00 0.00 175.02 173.65 1spu s GLN 564 N 1.12 2.07 -0.07 2.03 -0.21 0.40 -4.96 119.66 120.04 1spu s GLN 564 Ca 0.00 -2.27 0.03 0.00 0.02 0.00 0.00 55.36 53.14 1spu s GLN 564 Cb -0.20 -1.39 0.01 0.00 1.00 0.00 0.00 33.01 32.43 1spu s GLN 564 CO -0.04 -0.29 -0.14 0.08 -2.12 0.00 0.00 175.29 172.78 1spu s VAL 565 N -2.91 1.28 -0.33 1.09 1.01 -1.26 0.13 120.40 119.42 1spu s VAL 565 Ca 0.17 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1spu s VAL 565 Cb 0.04 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.30 1spu s VAL 565 CO 0.09 0.39 0.11 0.54 0.00 0.00 0.00 175.10 176.23 1spu s ASN 566 N 0.57 5.31 -0.11 3.32 4.22 0.85 -4.83 114.94 124.27 1spu s ASN 566 Ca -0.14 -0.98 -0.05 0.00 -2.14 0.00 0.00 52.86 49.54 1spu s ASN 566 Cb -0.16 -1.89 -0.04 0.00 1.28 0.00 0.00 41.25 40.44 1spu s ASN 566 CO 0.04 -0.29 0.08 -1.58 -2.04 0.00 0.00 177.10 173.31 1spu s GLN 567 N 1.45 3.31 -0.08 3.55 0.74 -1.25 0.50 119.66 127.88 1spu s GLN 567 Ca 0.00 -0.26 -0.30 0.00 0.05 0.00 0.00 55.36 54.85 1spu s GLN 567 Cb -0.19 -3.03 0.11 0.00 1.10 0.00 0.00 33.01 31.00 1spu s GLN 567 CO 0.03 0.70 0.93 1.52 -0.55 0.00 0.00 175.29 177.92 1spu s TYR 568 N -0.84 -0.37 0.48 1.67 1.13 0.50 -4.97 117.35 114.95 1spu s TYR 568 Ca 0.13 0.46 -0.16 0.00 -1.41 0.00 0.00 57.07 56.09 1spu s TYR 568 Cb -0.12 0.49 -0.08 0.00 -1.10 0.00 0.00 41.96 41.15 1spu s TYR 568 CO 0.03 -0.45 0.94 -0.80 -2.51 0.00 0.00 175.55 172.76 1spu s ASN 569 N -1.77 6.64 -0.41 -0.18 -0.87 -1.26 0.14 114.94 117.23 1spu s ASN 569 Ca 0.01 1.50 -0.03 0.00 -1.57 0.00 0.00 52.86 52.77 1spu s ASN 569 Cb -0.01 -2.48 0.11 0.00 -0.02 0.00 0.00 41.25 38.86 1spu s ASN 569 CO -0.03 -0.52 0.21 -0.63 -2.57 0.00 0.00 177.10 173.55 1spu s ILE 570 N -2.52 3.28 0.36 0.60 1.01 0.54 -4.84 121.20 119.63 1spu s ILE 570 Ca 0.58 -2.07 0.15 0.00 0.00 0.00 0.00 60.65 59.30 1spu s ILE 570 Cb -0.10 -3.25 0.12 0.00 0.01 0.00 0.00 42.46 39.24 1spu s ILE 570 CO 0.29 -0.69 1.85 1.23 0.00 0.00 0.00 174.94 177.62 1spu h GLY 571 N 8.03 0.00 -2.38 6.18 0.00 -1.86 -3.37 103.07 109.68 1spu h GLY 571 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 1spu h GLY 571 CO 0.70 0.00 -0.22 0.54 0.00 0.00 0.00 176.54 177.56 1spu s ASN 572 N -6.81 -0.04 0.29 0.19 6.03 -1.26 0.05 114.94 113.39 1spu s ASN 572 Ca -0.03 -0.98 0.03 0.00 -1.03 0.00 0.00 52.86 50.86 1spu s ASN 572 Cb 0.14 0.53 0.64 0.00 -3.03 0.00 0.00 41.25 39.53 1spu s ASN 572 CO 0.71 -1.06 1.81 -0.33 -2.03 0.00 0.00 177.10 176.20 1spu h GLU 573 N 2.35 0.87 -0.11 3.55 5.08 0.62 -1.84 114.58 125.10 1spu h GLU 573 Ca -0.28 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 57.92 1spu h GLU 573 Cb 1.25 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1spu h GLU 573 CO 0.40 0.58 -0.39 1.96 -1.00 0.00 0.00 179.01 180.55 1spu h GLN 574 N 0.90 0.23 0.00 2.33 1.08 -1.83 -1.98 115.11 115.83 1spu h GLN 574 Ca 0.53 -0.10 -0.18 0.00 -1.45 0.00 0.00 58.65 57.45 1spu h GLN 574 Cb 0.66 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.06 1spu h GLN 574 CO -0.31 0.59 -0.85 -0.44 -0.95 0.00 0.00 178.83 176.87 1spu h ASP 575 N 0.19 0.00 0.57 1.46 3.32 -1.86 -3.21 116.42 116.89 1spu h ASP 575 Ca 0.02 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 1spu h ASP 575 Cb 0.79 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1spu h ASP 575 CO 0.06 0.85 -0.53 0.00 -1.72 0.00 0.00 179.24 177.90 1spu h ALA 576 N 1.15 1.09 -1.43 3.45 0.00 -0.99 -3.41 119.26 119.12 1spu h ALA 576 Ca -0.01 -0.49 -0.53 0.00 0.00 0.00 0.00 54.91 53.89 1spu h ALA 576 Cb 1.59 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 1spu h ALA 576 CO 0.11 0.67 1.17 0.00 0.00 0.00 0.00 179.25 181.19 1spu s ALA 577 N -3.77 2.56 0.31 0.00 0.00 -0.78 -3.91 121.76 116.17 1spu s ALA 577 Ca -0.02 -1.04 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 1spu s ALA 577 Cb 0.13 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 19.00 1spu s ALA 577 CO 0.75 -3.46 0.48 1.14 0.00 0.00 0.00 175.76 174.67 1spu s GLN 578 N 6.17 1.78 0.35 0.00 -2.07 0.19 -4.99 119.66 121.09 1spu s GLN 578 Ca 0.48 -1.55 -0.21 0.00 -1.82 0.00 0.00 55.36 52.26 1spu s GLN 578 Cb -0.10 0.46 -0.10 0.00 -1.09 0.00 0.00 33.01 32.18 1spu s GLN 578 CO 0.18 -0.74 0.88 0.15 -1.32 0.00 0.00 175.29 174.44 1spu s LYS 579 N -3.38 4.29 -0.20 9.60 -0.14 -1.26 0.86 119.74 129.51 1spu s LYS 579 Ca 0.27 1.06 -0.04 0.00 -1.36 0.00 0.00 55.97 55.90 1spu s LYS 579 Cb -0.00 -2.48 -0.02 0.00 -1.68 0.00 0.00 37.83 33.64 1spu s LYS 579 CO 0.15 0.14 -0.02 0.12 -0.76 0.00 0.00 175.35 174.99 1spu s PHE 580 N -1.91 3.01 -0.37 3.18 5.36 -1.26 -4.77 117.98 121.22 1spu s PHE 580 Ca 0.55 -0.55 -0.16 0.00 -0.96 0.00 0.00 56.93 55.81 1spu s PHE 580 Cb -0.13 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.49 1spu s PHE 580 CO 0.18 -0.28 0.39 0.34 -1.46 0.00 0.00 175.22 174.38 1spu s ASP 581 N 1.01 6.19 0.29 6.13 -1.08 -1.26 -4.94 116.67 123.01 1spu s ASP 581 Ca 0.01 -0.39 0.22 0.00 -0.52 0.00 0.00 52.55 51.88 1spu s ASP 581 Cb -0.14 -2.21 1.08 0.00 -1.46 0.00 0.00 42.92 40.19 1spu s ASP 581 CO 0.01 -0.43 1.67 -0.81 0.52 0.00 0.00 175.17 176.13 1spu n PRO 582 N 5.46 0.16 0.00 4.34 -0.04 -1.26 -1.05 135.00 142.61 1spu n PRO 582 Ca -0.08 0.56 0.14 0.00 -0.04 0.00 0.00 63.50 64.08 1spu n PRO 582 Cb 0.49 -1.92 0.63 0.00 -0.04 0.00 0.00 33.50 32.66 1spu n PRO 582 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1spu n GLY 583 N -0.83 -1.20 3.76 0.55 0.00 -1.26 -4.85 105.19 101.37 1spu n GLY 583 Ca -0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1spu n GLY 583 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1spu s THR 584 N -2.65 2.68 -0.12 2.61 -4.23 -0.21 -4.53 115.64 109.18 1spu s THR 584 Ca 0.24 -1.63 0.03 0.00 -1.18 0.00 0.00 61.69 59.15 1spu s THR 584 Cb 0.20 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 71.06 1spu s THR 584 CO 0.50 -0.08 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.67 1spu s ILE 585 N -2.50 1.86 -0.23 2.99 1.01 -0.90 -4.92 121.20 118.51 1spu s ILE 585 Ca 0.41 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 60.21 1spu s ILE 585 Cb -0.00 -1.65 0.05 0.00 0.01 0.00 0.00 42.46 40.87 1spu s ILE 585 CO 0.24 0.51 -0.10 -0.13 0.00 0.00 0.00 174.94 175.46 1spu s ARG 586 N 0.76 2.08 0.06 2.79 1.81 -1.26 -1.24 118.95 123.94 1spu s ARG 586 Ca -0.10 -1.09 0.03 0.00 -1.72 0.00 0.00 55.73 52.85 1spu s ARG 586 Cb -0.16 -2.67 -0.04 0.00 -0.45 0.00 0.00 34.95 31.63 1spu s ARG 586 CO 0.01 -0.52 0.03 -0.51 -0.68 0.00 0.00 175.30 173.63 1spu s LEU 587 N 1.27 3.61 -0.38 2.53 1.43 -0.81 0.20 118.68 126.52 1spu s LEU 587 Ca -0.05 -0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 52.93 1spu s LEU 587 Cb -0.18 -2.24 0.08 0.00 0.03 0.00 0.00 46.19 43.88 1spu s LEU 587 CO -0.07 0.21 0.17 -0.22 0.23 0.00 0.00 176.35 176.67 1spu s LEU 588 N -2.09 4.81 0.24 1.79 2.96 0.17 -1.55 118.68 125.02 1spu s LEU 588 Ca 0.25 -1.54 0.08 0.00 -0.22 0.00 0.00 54.13 52.69 1spu s LEU 588 Cb -0.12 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 1spu s LEU 588 CO 0.17 -0.45 0.13 -0.44 -1.32 0.00 0.00 176.35 174.43 1spu s SER 589 N 1.76 5.22 -0.43 3.68 0.01 -0.83 -1.48 113.70 121.64 1spu s SER 589 Ca 0.02 -0.35 -0.10 0.00 1.31 0.00 0.00 55.95 56.83 1spu s SER 589 Cb -0.22 -1.24 0.08 0.00 0.21 0.00 0.00 66.02 64.85 1spu s SER 589 CO -0.00 -0.01 0.28 0.21 0.41 0.00 0.00 173.24 174.13 1spu s ASN 590 N -3.67 5.73 0.16 2.44 3.84 -0.36 -0.65 114.94 122.43 1spu s ASN 590 Ca 0.32 -1.47 0.20 0.00 0.21 0.00 0.00 52.86 52.12 1spu s ASN 590 Cb -0.08 -2.02 0.84 0.00 -0.55 0.00 0.00 41.25 39.44 1spu s ASN 590 CO 0.23 -0.55 1.61 -0.81 -2.79 0.00 0.00 177.10 174.79 1spu n PRO 591 N 4.97 0.12 0.00 0.43 -0.04 -1.26 -2.77 135.00 136.45 1spu n PRO 591 Ca -0.10 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 1spu n PRO 591 Cb 0.43 -1.73 0.35 0.00 -0.04 0.00 0.00 33.50 32.51 1spu n PRO 591 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1spu n ASN 592 N -1.95 1.05 -3.76 3.54 4.13 -1.26 -4.90 115.26 112.11 1spu n ASN 592 Ca 0.03 -0.89 -0.15 0.00 1.68 0.00 0.00 54.58 55.25 1spu n ASN 592 Cb 0.21 0.16 -0.15 0.00 -1.54 0.00 0.00 39.78 38.46 1spu n ASN 592 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1spu s LYS 593 N -2.53 0.01 0.29 3.52 1.02 -1.11 -5.12 119.74 115.81 1spu s LYS 593 Ca 0.23 0.27 0.12 0.00 0.02 0.00 0.00 55.97 56.61 1spu s LYS 593 Cb 0.19 -0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.22 1spu s LYS 593 CO 0.53 -0.18 -0.18 -1.21 -0.92 0.00 0.00 175.35 173.40 1spu s GLU 594 N 1.18 1.73 0.88 1.68 2.02 -1.26 -0.27 118.70 124.65 1spu s GLU 594 Ca -0.08 -1.76 -0.11 0.00 0.02 0.00 0.00 54.97 53.04 1spu s GLU 594 Cb -0.12 -1.79 0.19 0.00 0.10 0.00 0.00 34.13 32.51 1spu s GLU 594 CO -0.04 0.31 1.20 0.27 0.02 0.00 0.00 175.26 177.02 1spu n ASN 595 N -0.66 0.53 0.09 -0.19 2.04 0.19 -4.81 115.26 112.45 1spu n ASN 595 Ca -0.05 -1.70 0.20 0.00 -0.44 0.00 0.00 54.58 52.59 1spu n ASN 595 Cb 0.60 -0.88 0.74 0.00 -2.53 0.00 0.00 39.78 37.71 1spu n ASN 595 CO 0.00 0.00 0.00 -0.09 -0.44 0.00 0.00 177.26 176.73 1spu h ARG 596 N 0.00 0.00 -0.47 -3.83 2.43 -1.87 -1.83 114.38 108.81 1spu h ARG 596 Ca -0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1spu h ARG 596 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1spu h ARG 596 CO 0.32 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 177.45 1spu n MET 597 N -3.67 2.26 -1.59 0.20 2.81 -1.26 -4.92 117.12 110.95 1spu n MET 597 Ca 0.08 -1.94 -0.06 0.00 -1.81 0.00 0.00 57.70 53.96 1spu n MET 597 Cb 0.64 -1.45 -0.02 0.00 -0.71 0.00 0.00 33.22 31.69 1spu n MET 597 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1spu n GLY 598 N 1.38 0.54 3.67 3.03 0.00 -0.69 -5.02 105.19 108.11 1spu n GLY 598 Ca 0.19 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 1spu n GLY 598 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1spu s ASN 599 N -2.84 6.10 0.04 1.61 0.02 -1.25 -4.86 114.94 113.75 1spu s ASN 599 Ca 0.00 0.13 -0.34 0.00 -1.02 0.00 0.00 52.86 51.63 1spu s ASN 599 Cb 0.00 -2.09 -0.13 0.00 0.02 0.00 0.00 41.25 39.05 1spu s ASN 599 CO 0.00 0.10 1.71 -2.65 0.02 0.00 0.00 177.10 176.27 1spu n PRO 600 N 4.08 2.11 -1.85 -0.60 -0.02 -1.26 0.54 135.00 138.00 1spu n PRO 600 Ca -0.15 0.77 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 1spu n PRO 600 Cb 0.52 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 1spu n PRO 600 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1spu s VAL 601 N 2.36 3.07 0.22 -1.45 -7.23 0.62 -4.71 120.40 113.29 1spu s VAL 601 Ca 0.86 0.35 -0.00 0.00 -1.81 0.00 0.00 61.98 61.38 1spu s VAL 601 Cb -0.70 -3.23 -0.04 0.00 0.56 0.00 0.00 36.38 32.97 1spu s VAL 601 CO 0.45 -0.02 0.12 -0.44 -0.31 0.00 0.00 175.10 174.90 1spu s SER 602 N 3.16 0.53 -0.04 4.85 0.01 -0.86 -1.22 113.70 120.13 1spu s SER 602 Ca 0.78 -1.39 0.03 0.00 1.31 0.00 0.00 55.95 56.69 1spu s SER 602 Cb -0.40 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.13 1spu s SER 602 CO 0.35 -0.80 -0.12 -0.31 0.41 0.00 0.00 173.24 172.77 1spu s TYR 603 N -4.01 1.25 -0.13 2.43 1.51 -0.55 0.13 117.35 117.98 1spu s TYR 603 Ca 0.39 -0.35 -0.18 0.00 -1.01 0.00 0.00 57.07 55.91 1spu s TYR 603 Cb 0.07 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 1spu s TYR 603 CO 0.13 -0.15 0.48 -1.14 -1.11 0.00 0.00 175.55 173.76 1spu s GLN 604 N 0.23 4.31 -0.27 -0.62 0.74 0.71 0.42 119.66 125.19 1spu s GLN 604 Ca -0.05 0.43 -0.10 0.00 0.05 0.00 0.00 55.36 55.69 1spu s GLN 604 Cb -0.11 -3.46 -0.05 0.00 1.10 0.00 0.00 33.01 30.50 1spu s GLN 604 CO 0.01 0.11 0.16 0.42 -0.55 0.00 0.00 175.29 175.45 1spu s ILE 605 N 0.78 5.12 -0.41 -2.34 1.01 0.13 -1.40 121.20 124.09 1spu s ILE 605 Ca 0.25 0.10 0.02 0.00 0.00 0.00 0.00 60.65 61.03 1spu s ILE 605 Cb -0.15 -3.42 0.13 0.00 0.01 0.00 0.00 42.46 39.02 1spu s ILE 605 CO 0.10 0.29 0.20 -0.63 0.00 0.00 0.00 174.94 174.90 1spu s ILE 606 N 1.60 1.45 0.19 2.92 1.01 0.31 -4.39 121.20 124.28 1spu s ILE 606 Ca 0.07 -2.38 0.23 0.00 0.00 0.00 0.00 60.65 58.57 1spu s ILE 606 Cb -0.15 -2.03 0.22 0.00 0.01 0.00 0.00 42.46 40.51 1spu s ILE 606 CO 0.08 -0.83 1.85 -0.65 0.00 0.00 0.00 174.94 175.39 1spu h PRO 607 N 7.02 0.00 -3.52 2.79 0.11 -1.89 0.13 132.00 136.64 1spu h PRO 607 Ca -0.04 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.44 1spu h PRO 607 Cb 0.95 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.65 1spu h PRO 607 CO 0.50 0.24 -0.70 -0.47 -0.21 0.00 0.00 178.00 177.36 1spu s TYR 608 N -3.73 2.70 -0.19 0.65 5.04 -1.26 -4.57 117.35 115.99 1spu s TYR 608 Ca -0.00 -2.71 0.17 0.00 -2.44 0.00 0.00 57.07 52.09 1spu s TYR 608 Cb 0.11 -2.39 0.42 0.00 0.35 0.00 0.00 41.96 40.45 1spu s TYR 608 CO 0.64 -0.81 1.31 0.00 -1.34 0.00 0.00 175.55 175.34 1spu n ALA 609 N 3.70 2.68 0.00 3.97 0.00 -0.41 -4.87 120.51 125.57 1spu n ALA 609 Ca 0.05 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 51.15 1spu n ALA 609 Cb 0.36 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1spu n ALA 609 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1spu n GLY 610 N -0.80 1.68 3.61 0.00 0.00 -1.24 -4.65 105.19 103.80 1spu n GLY 610 Ca 0.18 -2.13 -0.01 0.00 0.00 0.00 0.00 46.02 44.07 1spu n GLY 610 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1spu s GLY 611 N 0.00 -0.36 0.00 -0.02 0.00 -1.26 -0.66 107.32 105.02 1spu s GLY 611 Ca 0.00 1.03 0.21 0.00 0.00 0.00 0.00 44.72 45.96 1spu s GLY 611 CO 0.00 0.28 0.91 -1.30 0.00 0.00 0.00 173.10 172.99 1spu n THR 612 N -0.33 0.00 -4.27 0.90 -2.24 -0.32 -4.92 114.28 103.11 1spu n THR 612 Ca -0.05 -0.03 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 1spu n THR 612 Cb 0.61 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.79 1spu n THR 612 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1spu s HIS 613 N -2.92 2.65 0.58 4.78 4.02 -1.26 -4.94 115.29 118.20 1spu s HIS 613 Ca 0.09 -0.30 -0.19 0.00 1.02 0.00 0.00 55.06 55.68 1spu s HIS 613 Cb 0.16 -1.34 -0.05 0.00 -1.02 0.00 0.00 32.58 30.33 1spu s HIS 613 CO 0.83 0.54 0.96 -2.30 1.02 0.00 0.00 174.74 175.78 1spu n PRO 614 N -0.95 0.94 -2.95 8.40 -0.02 -1.26 -4.84 135.00 134.32 1spu n PRO 614 Ca -0.05 0.36 -0.35 0.00 -2.02 0.00 0.00 63.50 61.44 1spu n PRO 614 Cb 0.60 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.87 1spu n PRO 614 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1spu s VAL 615 N -1.50 4.43 -0.48 -1.45 0.11 -1.26 -1.25 120.40 119.01 1spu s VAL 615 Ca 0.74 1.45 -0.23 0.00 -2.93 0.00 0.00 61.98 61.02 1spu s VAL 615 Cb -0.43 -3.83 0.03 0.00 -1.53 0.00 0.00 36.38 30.62 1spu s VAL 615 CO 0.48 0.04 0.79 0.00 -3.33 0.00 0.00 175.10 173.08 1spu s ALA 616 N -1.73 3.28 0.04 1.54 0.00 -0.87 -4.33 121.76 119.68 1spu s ALA 616 Ca 0.50 -1.18 0.22 0.00 0.00 0.00 0.00 51.96 51.50 1spu s ALA 616 Cb -0.15 -3.50 0.70 0.00 0.00 0.00 0.00 23.12 20.17 1spu s ALA 616 CO 0.20 -2.04 1.73 0.87 0.00 0.00 0.00 175.76 176.52 1spu h LYS 617 N 9.06 0.00 0.00 0.00 1.57 -1.94 -3.42 116.57 121.84 1spu h LYS 617 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1spu h LYS 617 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1spu h LYS 617 CO 0.99 0.28 0.00 0.41 -0.57 0.00 0.00 179.45 180.55 1spu n GLY 618 N 0.43 -1.01 3.72 3.86 0.00 -1.26 -4.99 105.19 105.93 1spu n GLY 618 Ca 0.01 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 1spu n GLY 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spu s ALA 619 N -1.00 3.20 -1.48 4.61 0.00 -1.16 -4.92 121.76 121.00 1spu s ALA 619 Ca 0.00 0.56 -0.08 0.00 0.00 0.00 0.00 51.96 52.44 1spu s ALA 619 Cb 0.00 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1spu s ALA 619 CO 0.00 -0.15 2.67 1.04 0.00 0.00 0.00 175.76 179.32 1spu n GLN 620 N 3.44 4.09 -3.97 0.00 1.13 -1.26 -4.83 117.38 115.99 1spu n GLN 620 Ca 0.05 -2.81 -0.16 0.00 -1.94 0.00 0.00 57.00 52.14 1spu n GLN 620 Cb 0.50 -2.74 -0.15 0.00 0.11 0.00 0.00 30.24 27.96 1spu n GLN 620 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1spu s PHE 621 N 0.65 0.28 0.89 1.08 0.08 -1.26 -4.96 117.98 114.74 1spu s PHE 621 Ca 0.62 -0.02 -0.12 0.00 0.12 0.00 0.00 56.93 57.53 1spu s PHE 621 Cb 0.18 -0.30 0.10 0.00 -0.57 0.00 0.00 43.02 42.43 1spu s PHE 621 CO -0.08 -0.07 0.96 0.00 -0.10 0.00 0.00 175.22 175.93 1spu n ALA 622 N 3.65 -1.06 1.12 5.36 0.00 -1.26 -4.88 120.51 123.44 1spu n ALA 622 Ca -0.21 -0.50 0.13 0.00 0.00 0.00 0.00 53.44 52.86 1spu n ALA 622 Cb 0.54 -2.10 0.63 0.00 0.00 0.00 0.00 19.45 18.51 1spu n ALA 622 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1spu n PRO 623 N -3.23 0.24 0.00 0.00 -0.04 -1.26 -2.91 135.00 127.80 1spu n PRO 623 Ca 0.11 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.75 1spu n PRO 623 Cb 0.52 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.92 1spu n PRO 623 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1spu n ASP 624 N -1.36 0.80 -4.80 3.54 5.68 -1.26 -4.78 116.55 114.36 1spu n ASP 624 Ca 0.10 -0.72 -0.34 0.00 -0.50 0.00 0.00 54.79 53.33 1spu n ASP 624 Cb 0.24 0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 40.24 1spu n ASP 624 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1spu s GLU 625 N -2.54 4.12 -0.02 0.11 0.41 -1.15 -5.03 118.70 114.61 1spu s GLU 625 Ca 0.24 1.26 -0.23 0.00 -0.41 0.00 0.00 54.97 55.84 1spu s GLU 625 Cb 0.19 -2.26 -0.16 0.00 -1.78 0.00 0.00 34.13 30.13 1spu s GLU 625 CO 0.52 -0.14 1.05 -1.49 -0.49 0.00 0.00 175.26 174.71 1spu h TRP 626 N 2.00 -0.30 -0.99 1.61 4.06 -1.89 -2.99 115.95 117.44 1spu h TRP 626 Ca -0.49 -0.01 0.29 0.00 2.06 0.00 0.00 58.89 60.75 1spu h TRP 626 Cb 1.20 0.10 -0.14 0.00 -1.00 0.00 0.00 29.16 29.32 1spu h TRP 626 CO 0.60 0.07 0.53 0.97 -3.56 0.00 0.00 178.44 177.05 1spu h ILE 627 N -0.82 0.36 -0.52 1.49 6.09 -1.96 0.56 117.51 122.71 1spu h ILE 627 Ca -0.03 -0.13 -0.03 0.00 -1.37 0.00 0.00 64.86 63.30 1spu h ILE 627 Cb 0.51 -0.05 -0.02 0.00 0.47 0.00 0.00 36.82 37.73 1spu h ILE 627 CO 0.05 0.07 0.20 0.22 -3.07 0.00 0.00 178.15 175.63 1spu h TYR 628 N 0.37 0.80 0.31 2.19 5.03 -1.81 -2.27 116.97 121.59 1spu h TYR 628 Ca 0.69 -0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.92 1spu h TYR 628 Cb 1.49 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 39.53 1spu h TYR 628 CO -0.04 0.66 -0.15 1.25 -1.32 0.00 0.00 178.16 178.56 1spu h HIS 629 N 0.70 -0.39 -1.02 -3.82 2.76 0.16 -3.35 115.15 110.20 1spu h HIS 629 Ca 0.17 -0.01 0.26 0.00 -2.20 0.00 0.00 60.37 58.60 1spu h HIS 629 Cb 0.21 0.13 -0.07 0.00 1.55 0.00 0.00 27.41 29.22 1spu h HIS 629 CO 0.01 -0.24 0.68 0.00 -1.30 0.00 0.00 177.93 177.07 1spu h ARG 630 N -0.60 0.28 -3.71 5.26 3.08 -0.94 -3.37 114.38 114.38 1spu h ARG 630 Ca -0.04 -0.02 -0.62 0.00 0.07 0.00 0.00 59.98 59.37 1spu h ARG 630 Cb 0.32 -0.06 -0.40 0.00 0.08 0.00 0.00 29.97 29.91 1spu h ARG 630 CO 0.07 0.19 -0.72 -0.51 -1.07 0.00 0.00 179.97 177.92 1spu s LEU 631 N -9.26 3.35 0.31 3.04 1.43 -0.85 -2.86 118.68 113.83 1spu s LEU 631 Ca -0.08 -2.22 0.17 0.00 -1.03 0.00 0.00 54.13 50.97 1spu s LEU 631 Cb 0.24 -1.23 0.19 0.00 0.03 0.00 0.00 46.19 45.42 1spu s LEU 631 CO 0.79 -0.34 1.50 0.77 0.23 0.00 0.00 176.35 179.30 1spu h SER 632 N 7.39 0.00 -0.57 2.29 4.64 -1.72 -3.35 113.55 122.23 1spu h SER 632 Ca -0.07 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.41 1spu h SER 632 Cb 0.98 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 1spu h SER 632 CO 0.52 0.42 0.41 2.19 -0.87 0.00 0.00 176.83 179.49 1spu h PHE 633 N 0.00 0.04 0.00 4.77 -0.00 -1.93 -2.81 116.94 117.01 1spu h PHE 633 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1spu h PHE 633 Cb 1.27 -0.01 -0.00 0.00 -0.00 0.00 0.00 35.95 37.21 1spu h PHE 633 CO 0.00 0.02 -0.01 0.52 -0.00 0.00 0.00 178.31 178.84 1spu h MET 634 N 0.04 0.00 0.01 6.09 2.86 -1.95 -3.32 114.93 118.65 1spu h MET 634 Ca 0.27 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.55 1spu h MET 634 Cb 1.04 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.64 1spu h MET 634 CO -0.01 0.01 -2.25 -3.47 1.06 0.00 0.00 176.91 172.24 1spu n ASP 635 N -3.12 0.80 -4.90 1.22 2.03 -1.06 -2.98 116.55 108.54 1spu n ASP 635 Ca -0.02 0.06 -0.33 0.00 0.52 0.00 0.00 54.79 55.03 1spu n ASP 635 Cb 0.16 0.32 -0.05 0.00 -0.72 0.00 0.00 41.12 40.84 1spu n ASP 635 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1spu s LYS 636 N -2.52 3.48 0.06 -0.67 -0.14 -1.25 -4.74 119.74 113.96 1spu s LYS 636 Ca -0.16 -0.29 0.20 0.00 -1.36 0.00 0.00 55.97 54.37 1spu s LYS 636 Cb 0.07 -3.05 -0.15 0.00 -1.68 0.00 0.00 37.83 33.01 1spu s LYS 636 CO 0.77 0.63 0.74 1.04 -0.76 0.00 0.00 175.35 177.77 1spu n GLN 637 N 0.71 0.63 -4.58 1.68 3.00 0.18 -4.53 117.38 114.47 1spu n GLN 637 Ca -0.08 0.06 -0.22 0.00 -0.01 0.00 0.00 57.00 56.74 1spu n GLN 637 Cb 0.52 -1.71 -0.15 0.00 0.00 0.00 0.00 30.24 28.90 1spu n GLN 637 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1spu s LEU 638 N -5.28 2.06 -0.05 1.08 2.96 0.25 -0.78 118.68 118.93 1spu s LEU 638 Ca -0.04 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 1spu s LEU 638 Cb 0.10 -0.71 0.01 0.00 0.50 0.00 0.00 46.19 46.10 1spu s LEU 638 CO 0.83 0.14 0.14 0.26 -1.32 0.00 0.00 176.35 176.40 1spu s TRP 639 N -0.46 -0.14 -0.05 5.38 0.52 -0.57 0.54 118.94 124.17 1spu s TRP 639 Ca 0.05 0.33 0.01 0.00 0.02 0.00 0.00 56.10 56.51 1spu s TRP 639 Cb -0.06 0.04 0.02 0.00 -1.15 0.00 0.00 33.47 32.32 1spu s TRP 639 CO -0.00 -0.10 -0.05 0.08 0.02 0.00 0.00 176.95 176.91 1spu s VAL 640 N -0.07 0.57 0.09 4.03 1.01 -1.26 -0.75 120.40 124.02 1spu s VAL 640 Ca -0.01 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1spu s VAL 640 Cb -0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1spu s VAL 640 CO 0.00 0.23 -0.08 0.42 0.00 0.00 0.00 175.10 175.67 1spu s THR 641 N 0.93 0.79 0.40 3.92 -4.23 -0.67 -4.44 115.64 112.33 1spu s THR 641 Ca -0.11 -1.68 -0.25 0.00 -1.18 0.00 0.00 61.69 58.47 1spu s THR 641 Cb -0.14 -1.38 -0.08 0.00 1.34 0.00 0.00 72.50 72.23 1spu s THR 641 CO 0.00 -0.66 1.16 -0.13 -0.54 0.00 0.00 174.62 174.44 1spu s ARG 642 N -3.04 4.07 0.08 3.99 0.52 -1.26 -0.49 118.95 122.81 1spu s ARG 642 Ca 0.06 1.80 -0.31 0.00 -0.52 0.00 0.00 55.73 56.77 1spu s ARG 642 Cb -0.01 -2.67 -0.09 0.00 0.52 0.00 0.00 34.95 32.71 1spu s ARG 642 CO -0.02 -0.29 1.65 -0.47 0.02 0.00 0.00 175.30 176.19 1spu s TYR 643 N -1.43 2.49 -0.11 -0.53 5.04 0.25 -4.78 117.35 118.27 1spu s TYR 643 Ca 0.57 0.34 -0.02 0.00 -2.44 0.00 0.00 57.07 55.52 1spu s TYR 643 Cb -0.30 -3.97 0.04 0.00 0.35 0.00 0.00 41.96 38.08 1spu s TYR 643 CO 0.37 -3.84 0.02 -1.01 -1.34 0.00 0.00 175.55 169.75 1spu s HIS 644 N 2.48 0.69 0.60 4.97 3.76 -1.26 -5.04 115.29 121.49 1spu s HIS 644 Ca 0.74 -0.32 0.36 0.00 -0.15 0.00 0.00 55.06 55.68 1spu s HIS 644 Cb -0.40 -0.83 1.95 0.00 1.11 0.00 0.00 32.58 34.41 1spu s HIS 644 CO 0.32 -0.40 2.10 -1.35 -0.85 0.00 0.00 174.74 174.56 1spu h PRO 645 N 8.32 0.00 -0.01 8.40 0.11 -2.03 -1.26 132.00 145.52 1spu h PRO 645 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1spu h PRO 645 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1spu h PRO 645 CO 0.28 0.00 -0.57 0.41 -0.21 0.00 0.00 178.00 177.90 1spu n GLY 646 N -1.16 -0.53 3.22 -0.55 0.00 -1.26 -4.80 105.19 100.12 1spu n GLY 646 Ca -0.02 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1spu n GLY 646 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1spu s GLU 647 N -2.68 2.79 0.00 1.61 2.02 -0.48 -4.82 118.70 117.13 1spu s GLU 647 Ca 0.16 -2.07 0.00 0.00 0.02 0.00 0.00 54.97 53.08 1spu s GLU 647 Cb 0.18 -4.03 0.00 0.00 0.10 0.00 0.00 34.13 30.38 1spu s GLU 647 CO 0.66 -1.22 0.00 0.54 0.02 0.00 0.00 175.26 175.25 1spu n ARG 648 N 4.44 1.89 -4.51 1.61 1.74 -1.26 -4.78 116.66 115.79 1spu n ARG 648 Ca -0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.74 1spu n ARG 648 Cb 0.41 -0.82 -0.15 0.00 -1.02 0.00 0.00 32.46 30.88 1spu n ARG 648 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1spu s PHE 649 N -1.50 2.81 0.43 -1.55 0.08 -1.26 -4.75 117.98 112.25 1spu s PHE 649 Ca 0.00 -0.92 0.09 0.00 0.12 0.00 0.00 56.93 56.23 1spu s PHE 649 Cb 0.00 -1.90 0.94 0.00 -0.57 0.00 0.00 43.02 41.49 1spu s PHE 649 CO 0.00 -0.41 2.07 -1.00 -0.10 0.00 0.00 175.22 175.78 1spu h PRO 650 N 7.24 0.40 -0.00 0.24 0.13 -1.93 -2.23 132.00 135.84 1spu h PRO 650 Ca -0.32 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1spu h PRO 650 Cb 1.19 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1spu h PRO 650 CO 0.57 0.28 -0.47 -0.85 -0.23 0.00 0.00 178.00 177.30 1spu n GLU 651 N -4.47 0.30 0.00 0.86 0.00 -1.26 -0.05 120.64 116.02 1spu n GLU 651 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 57.16 56.98 1spu n GLU 651 Cb 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.03 1spu n GLU 651 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1spu n GLY 652 N 1.45 0.45 0.32 -1.84 0.00 -0.84 -3.90 105.19 100.83 1spu n GLY 652 Ca 0.08 -1.79 -0.04 0.00 0.00 0.00 0.00 46.02 44.26 1spu n GLY 652 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1spu h LYS 653 N 0.00 1.10 -2.55 1.61 3.64 -1.83 -3.34 116.57 115.20 1spu h LYS 653 Ca 0.00 -0.10 -0.60 0.00 -1.27 0.00 0.00 60.65 58.68 1spu h LYS 653 Cb 0.00 -0.23 -0.41 0.00 -0.41 0.00 0.00 32.23 31.18 1spu h LYS 653 CO 0.00 0.78 -0.72 0.66 -2.27 0.00 0.00 179.45 177.90 1spu n TYR 654 N -4.46 2.13 0.50 1.91 4.01 -1.26 -4.94 117.16 115.05 1spu n TYR 654 Ca 0.08 -3.99 0.11 0.00 -0.16 0.00 0.00 57.90 53.94 1spu n TYR 654 Cb 0.06 -0.41 0.43 0.00 -0.31 0.00 0.00 39.34 39.12 1spu n TYR 654 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1spu n PRO 655 N 1.73 0.13 -2.02 -0.72 -0.04 -1.25 -4.59 135.00 128.22 1spu n PRO 655 Ca 0.25 0.31 -0.43 0.00 -0.04 0.00 0.00 63.50 63.59 1spu n PRO 655 Cb 0.41 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.13 1spu n PRO 655 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1spu s ASN 656 N -3.79 6.28 -1.43 3.54 2.47 -1.26 -2.31 114.94 118.44 1spu s ASN 656 Ca 0.07 1.72 -0.08 0.00 0.42 0.00 0.00 52.86 54.99 1spu s ASN 656 Cb 0.10 -2.53 0.02 0.00 -1.45 0.00 0.00 41.25 37.39 1spu s ASN 656 CO 0.39 -1.32 0.99 0.54 -3.72 0.00 0.00 177.10 173.97 1spu n ARG 657 N 7.78 -6.75 -2.31 0.43 1.74 -1.26 -4.23 116.66 112.06 1spu n ARG 657 Ca 0.20 0.82 -0.40 0.00 -0.77 0.00 0.00 57.85 57.70 1spu n ARG 657 Cb 0.45 -5.80 -0.03 0.00 -1.02 0.00 0.00 32.46 26.06 1spu n ARG 657 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1spu s SER 658 N -3.13 6.86 0.00 0.55 1.04 -0.98 -4.84 113.70 113.21 1spu s SER 658 Ca 0.51 2.42 0.20 0.00 0.48 0.00 0.00 55.95 59.57 1spu s SER 658 Cb -0.23 -2.63 -0.20 0.00 0.10 0.00 0.00 66.02 63.06 1spu s SER 658 CO 0.64 -0.44 0.88 0.35 0.98 0.00 0.00 173.24 175.64 1spu n THR 659 N 0.68 0.00 -3.52 2.02 -2.24 -1.26 -4.57 114.28 105.38 1spu n THR 659 Ca 0.01 -0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 1spu n THR 659 Cb 0.44 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 1spu n THR 659 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1spu s HIS 660 N -2.87 -0.39 -0.18 4.78 -3.43 -1.26 -4.87 115.29 107.06 1spu s HIS 660 Ca 0.09 0.41 -0.29 0.00 -0.80 0.00 0.00 55.06 54.47 1spu s HIS 660 Cb 0.16 0.50 -0.06 0.00 -1.43 0.00 0.00 32.58 31.75 1spu s HIS 660 CO 0.81 -0.51 2.18 -3.47 -2.00 0.00 0.00 174.74 171.74 1spu n ASP 661 N 0.11 3.38 -0.27 7.38 -0.08 -1.14 -4.81 116.55 121.12 1spu n ASP 661 Ca -0.11 0.35 0.04 0.00 -1.51 0.00 0.00 54.79 53.56 1spu n ASP 661 Cb 0.60 -1.54 0.02 0.00 2.34 0.00 0.00 41.12 42.55 1spu n ASP 661 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1spu n THR 662 N 7.29 0.00 0.00 5.18 -2.24 -1.26 -4.03 114.28 119.22 1spu n THR 662 Ca 0.29 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1spu n THR 662 Cb 0.43 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 1spu n THR 662 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1spu n GLY 663 N 0.64 0.67 0.32 3.38 0.00 -1.25 -4.22 105.19 104.72 1spu n GLY 663 Ca 0.04 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1spu n GLY 663 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1spu h LEU 664 N 0.00 0.05 -0.29 0.99 3.38 -0.58 -1.05 115.31 117.80 1spu h LEU 664 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1spu h LEU 664 Cb 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1spu h LEU 664 CO 0.00 0.03 0.18 1.23 0.09 0.00 0.00 178.44 179.97 1spu h GLY 665 N 0.05 0.42 0.70 0.83 0.00 -1.87 -2.83 103.07 100.37 1spu h GLY 665 Ca 0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1spu h GLY 665 CO -0.01 0.17 0.00 -1.61 0.00 0.00 0.00 176.54 175.09 1spu h GLN 666 N 0.38 0.02 -0.92 4.80 4.15 -1.37 -1.22 115.11 120.94 1spu h GLN 666 Ca 0.10 -0.01 0.19 0.00 0.77 0.00 0.00 58.65 59.71 1spu h GLN 666 Cb 0.00 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.61 1spu h GLN 666 CO -0.02 0.32 0.60 1.88 -1.93 0.00 0.00 178.83 179.68 1spu h TYR 667 N -0.28 0.71 0.00 3.99 0.05 -1.21 -2.20 116.97 118.02 1spu h TYR 667 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1spu h TYR 667 Cb 0.31 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1spu h TYR 667 CO 0.03 0.20 -1.50 -1.13 -1.05 0.00 0.00 178.16 174.71 1spu n SER 668 N -4.57 0.57 -0.47 3.88 3.41 -1.08 -4.55 113.62 110.82 1spu n SER 668 Ca 0.20 -0.43 0.39 0.00 -0.26 0.00 0.00 58.87 58.77 1spu n SER 668 Cb 0.62 1.53 0.66 0.00 -0.26 0.00 0.00 64.21 66.75 1spu n SER 668 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1spu n LYS 669 N -1.89 -0.03 0.11 4.33 3.00 -0.46 0.29 118.16 123.50 1spu n LYS 669 Ca -0.00 1.17 0.13 0.00 -0.00 0.00 0.00 58.31 59.60 1spu n LYS 669 Cb 0.44 -2.34 0.42 0.00 0.00 0.00 0.00 35.03 33.55 1spu n LYS 669 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1spu n ASP 670 N -4.52 0.78 -3.60 3.14 9.92 -1.26 -4.95 116.55 116.06 1spu n ASP 670 Ca 0.39 0.59 -0.22 0.00 -0.53 0.00 0.00 54.79 55.01 1spu n ASP 670 Cb 1.53 -0.79 0.05 0.00 -0.64 0.00 0.00 41.12 41.27 1spu n ASP 670 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1spu n ASN 671 N -2.24 -3.02 -4.70 -2.24 4.05 0.82 -4.95 115.26 102.97 1spu n ASN 671 Ca 0.05 -0.83 -0.29 0.00 0.45 0.00 0.00 54.58 53.96 1spu n ASN 671 Cb 0.40 -4.20 0.13 0.00 1.23 0.00 0.00 39.78 37.34 1spu n ASN 671 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1spu s GLU 672 N -5.65 1.37 0.20 1.20 2.02 -1.26 -4.45 118.70 112.13 1spu s GLU 672 Ca 0.18 0.08 -0.30 0.00 0.02 0.00 0.00 54.97 54.95 1spu s GLU 672 Cb -0.04 -1.88 -0.08 0.00 0.10 0.00 0.00 34.13 32.22 1spu s GLU 672 CO 0.80 -2.00 1.08 0.45 0.02 0.00 0.00 175.26 175.61 1spu s SER 673 N -4.42 7.30 -0.28 -0.19 0.15 -1.26 0.11 113.70 115.12 1spu s SER 673 Ca 0.65 2.11 0.08 0.00 0.70 0.00 0.00 55.95 59.49 1spu s SER 673 Cb -0.11 -2.61 0.45 0.00 -1.71 0.00 0.00 66.02 62.04 1spu s SER 673 CO 0.51 -0.17 1.20 0.18 1.20 0.00 0.00 173.24 176.16 1spu n LEU 674 N 2.03 4.55 -4.31 3.45 4.77 0.11 -4.83 117.00 122.77 1spu n LEU 674 Ca 0.01 -4.60 -0.36 0.00 -0.03 0.00 0.00 56.01 51.03 1spu n LEU 674 Cb 0.46 -0.37 -0.13 0.00 -2.33 0.00 0.00 43.42 41.05 1spu n LEU 674 CO 0.53 1.99 -0.31 -0.62 -1.33 0.00 0.00 177.39 177.65 1spu s ASP 675 N -3.53 4.90 -1.25 -1.43 2.15 -1.25 -3.55 116.67 112.70 1spu s ASP 675 Ca 0.49 -0.71 -0.14 0.00 0.43 0.00 0.00 52.55 52.63 1spu s ASP 675 Cb 0.40 -1.83 -0.00 0.00 -0.30 0.00 0.00 42.92 41.20 1spu s ASP 675 CO 0.02 -0.16 0.63 -3.20 -0.17 0.00 0.00 175.17 172.29 1spu n ASN 676 N 4.82 -3.17 -3.62 -0.34 4.05 -0.37 -4.97 115.26 111.66 1spu n ASN 676 Ca -0.15 -1.04 -0.14 0.00 0.45 0.00 0.00 54.58 53.71 1spu n ASN 676 Cb 0.48 -3.11 -0.06 0.00 1.23 0.00 0.00 39.78 38.32 1spu n ASN 676 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1spu s THR 677 N -3.67 0.00 -0.65 -0.44 -1.32 0.44 -4.60 115.64 105.40 1spu s THR 677 Ca 0.28 -1.69 -0.27 0.00 -1.21 0.00 0.00 61.69 58.80 1spu s THR 677 Cb -0.11 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 1spu s THR 677 CO 0.88 0.00 1.59 -0.62 -2.21 0.00 0.00 174.62 174.26 1spu s ASP 678 N -3.19 5.71 0.18 8.08 -1.08 -1.22 -1.61 116.67 123.55 1spu s ASP 678 Ca 0.32 0.05 -0.02 0.00 -0.52 0.00 0.00 52.55 52.37 1spu s ASP 678 Cb 0.01 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.88 1spu s ASP 678 CO 0.17 -2.09 0.39 0.00 0.52 0.00 0.00 175.17 174.16 1spu s ALA 679 N 7.44 3.81 -0.14 3.66 0.00 -1.26 -0.59 121.76 134.68 1spu s ALA 679 Ca 0.53 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.78 1spu s ALA 679 Cb -0.11 -2.06 0.02 0.00 0.00 0.00 0.00 23.12 20.97 1spu s ALA 679 CO 0.19 0.51 -0.15 0.08 0.00 0.00 0.00 175.76 176.39 1spu s VAL 680 N -1.80 1.58 -0.10 0.00 1.01 0.35 -4.24 120.40 117.21 1spu s VAL 680 Ca 0.40 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 1spu s VAL 680 Cb -0.11 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 1spu s VAL 680 CO 0.28 0.46 0.29 -0.69 0.00 0.00 0.00 175.10 175.43 1spu s VAL 681 N 1.32 5.27 -0.15 2.92 1.01 0.13 -1.67 120.40 129.23 1spu s VAL 681 Ca 0.01 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1spu s VAL 681 Cb -0.13 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1spu s VAL 681 CO -0.08 0.52 -0.16 0.26 0.00 0.00 0.00 175.10 175.64 1spu s TRP 682 N -0.46 2.29 -0.17 5.22 0.52 0.07 0.32 118.94 126.72 1spu s TRP 682 Ca 0.18 -1.29 -0.02 0.00 0.02 0.00 0.00 56.10 54.99 1spu s TRP 682 Cb -0.14 -1.66 -0.01 0.00 -1.15 0.00 0.00 33.47 30.51 1spu s TRP 682 CO 0.07 -0.69 -0.08 -1.64 0.02 0.00 0.00 176.95 174.64 1spu s MET 683 N 1.41 3.44 -0.15 4.98 -1.94 0.55 -1.51 119.30 126.07 1spu s MET 683 Ca 0.04 -0.63 -0.01 0.00 -1.71 0.00 0.00 55.69 53.39 1spu s MET 683 Cb -0.13 -2.84 -0.01 0.00 2.01 0.00 0.00 34.83 33.86 1spu s MET 683 CO -0.10 0.05 -0.12 0.99 -0.01 0.00 0.00 175.02 175.83 1spu s THR 684 N 0.80 3.04 -0.03 2.05 2.01 0.04 -0.39 115.64 123.16 1spu s THR 684 Ca -0.03 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.20 1spu s THR 684 Cb -0.15 -2.29 0.02 0.00 0.01 0.00 0.00 72.50 70.09 1spu s THR 684 CO 0.01 0.51 0.26 0.28 -0.69 0.00 0.00 174.62 174.99 1spu s THR 685 N 0.57 0.05 0.21 -0.82 -1.32 -0.08 -4.55 115.64 109.68 1spu s THR 685 Ca -0.08 -0.40 -0.22 0.00 -1.21 0.00 0.00 61.69 59.78 1spu s THR 685 Cb -0.16 -0.51 0.07 0.00 -1.51 0.00 0.00 72.50 70.40 1spu s THR 685 CO 0.03 -0.22 1.00 -0.83 -2.21 0.00 0.00 174.62 172.39 1spu s GLY 686 N -0.94 0.09 0.26 6.08 0.00 -1.26 0.13 107.32 111.69 1spu s GLY 686 Ca -0.10 -0.32 0.09 0.00 0.00 0.00 0.00 44.72 44.39 1spu s GLY 686 CO 0.02 1.70 -0.13 -0.51 0.00 0.00 0.00 173.10 174.18 1spu s THR 687 N -2.36 2.01 -0.35 0.90 -4.23 0.72 -2.05 115.64 110.27 1spu s THR 687 Ca 0.20 -2.25 -0.02 0.00 -1.18 0.00 0.00 61.69 58.43 1spu s THR 687 Cb -0.03 -2.30 0.07 0.00 1.34 0.00 0.00 72.50 71.59 1spu s THR 687 CO 0.06 -0.41 0.09 -0.89 -0.54 0.00 0.00 174.62 172.92 1spu s THR 688 N -2.79 3.12 -0.52 3.99 2.01 -0.38 -1.31 115.64 119.76 1spu s THR 688 Ca 0.28 -1.66 -0.19 0.00 0.31 0.00 0.00 61.69 60.42 1spu s THR 688 Cb -0.01 -2.95 0.07 0.00 0.01 0.00 0.00 72.50 69.63 1spu s THR 688 CO 0.12 -0.35 0.63 -2.28 -0.69 0.00 0.00 174.62 172.04 1spu s HIS 689 N 1.20 3.05 -0.26 4.92 5.04 0.82 -4.13 115.29 125.94 1spu s HIS 689 Ca 0.01 -0.64 -0.10 0.00 -1.54 0.00 0.00 55.06 52.79 1spu s HIS 689 Cb -0.21 -3.61 -0.05 0.00 0.04 0.00 0.00 32.58 28.75 1spu s HIS 689 CO -0.02 -1.07 0.16 0.08 -2.34 0.00 0.00 174.74 171.54 1spu s VAL 690 N 2.60 5.17 0.74 0.89 1.01 -1.26 -3.03 120.40 126.52 1spu s VAL 690 Ca 0.14 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 1spu s VAL 690 Cb -0.20 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1spu s VAL 690 CO 0.11 0.31 1.10 0.00 0.00 0.00 0.00 175.10 176.62 1spu s ALA 691 N 1.39 2.69 0.11 5.51 0.00 -1.26 -5.05 121.76 125.15 1spu s ALA 691 Ca 0.07 -0.33 -0.14 0.00 0.00 0.00 0.00 51.96 51.56 1spu s ALA 691 Cb -0.15 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 19.95 1spu s ALA 691 CO 0.07 -1.35 0.34 -0.98 0.00 0.00 0.00 175.76 173.85 1spu s ARG 692 N -5.32 0.99 0.55 0.00 1.70 -1.26 -4.64 118.95 110.97 1spu s ARG 692 Ca 0.59 -0.74 0.23 0.00 -0.47 0.00 0.00 55.73 55.34 1spu s ARG 692 Cb -0.12 0.43 1.49 0.00 -0.57 0.00 0.00 34.95 36.17 1spu s ARG 692 CO 0.52 -0.36 2.13 0.00 -1.08 0.00 0.00 175.30 176.51 1spu h ALA 693 N 2.55 1.95 0.00 7.88 0.00 -1.86 -1.83 119.26 127.95 1spu h ALA 693 Ca -0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1spu h ALA 693 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1spu h ALA 693 CO 0.49 -0.18 0.00 0.39 0.00 0.00 0.00 179.25 179.95 1spu n GLU 694 N -4.22 0.01 -0.46 0.00 4.71 -1.26 -2.36 120.64 117.06 1spu n GLU 694 Ca 0.00 0.29 0.09 0.00 -0.01 0.00 0.00 57.16 57.53 1spu n GLU 694 Cb 0.23 -1.50 0.30 0.00 -1.01 0.00 0.00 31.44 29.45 1spu n GLU 694 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1spu n GLU 695 N -1.49 3.29 -4.20 3.49 1.02 -0.69 -4.63 120.64 117.43 1spu n GLU 695 Ca 0.03 -2.67 -0.19 0.00 -0.02 0.00 0.00 57.16 54.31 1spu n GLU 695 Cb 0.14 -1.70 -0.16 0.00 -0.02 0.00 0.00 31.44 29.70 1spu n GLU 695 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1spu s TRP 696 N -1.63 0.74 -0.18 -0.32 -0.11 -1.00 -3.09 118.94 113.35 1spu s TRP 696 Ca 0.44 -0.19 0.29 0.00 1.22 0.00 0.00 56.10 57.85 1spu s TRP 696 Cb 0.27 -0.62 1.17 0.00 -1.50 0.00 0.00 33.47 32.80 1spu s TRP 696 CO 0.22 -0.15 1.86 -1.00 -4.62 0.00 0.00 176.95 173.26 1spu h PRO 697 N 6.91 0.00 -5.40 5.86 0.13 -1.89 -3.49 132.00 134.11 1spu h PRO 697 Ca -0.37 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.30 1spu h PRO 697 Cb 1.16 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.04 1spu h PRO 697 CO 0.48 0.00 -0.80 -1.50 -0.23 0.00 0.00 178.00 175.95 1spu s ILE 698 N -3.50 1.17 -0.16 -3.56 2.07 -1.25 -4.62 121.20 111.35 1spu s ILE 698 Ca 0.03 -1.01 -0.17 0.00 -1.41 0.00 0.00 60.65 58.09 1spu s ILE 698 Cb 0.09 -1.05 -0.04 0.00 0.13 0.00 0.00 42.46 41.59 1spu s ILE 698 CO 0.48 0.03 0.42 -0.04 -1.91 0.00 0.00 174.94 173.92 1spu s MET 699 N -1.12 4.26 0.28 3.50 -1.94 -0.63 -4.45 119.30 119.19 1spu s MET 699 Ca 0.02 0.30 -0.30 0.00 -1.71 0.00 0.00 55.69 54.00 1spu s MET 699 Cb -0.08 -3.48 -0.11 0.00 2.01 0.00 0.00 34.83 33.17 1spu s MET 699 CO 0.01 0.08 1.49 -2.14 -0.01 0.00 0.00 175.02 174.45 1spu s PRO 700 N 0.92 4.21 0.30 2.03 0.02 -1.26 -3.98 135.00 137.24 1spu s PRO 700 Ca 0.22 2.42 -0.30 0.00 0.02 0.00 0.00 61.00 63.36 1spu s PRO 700 Cb -0.15 -3.06 -0.12 0.00 0.02 0.00 0.00 34.50 31.19 1spu s PRO 700 CO 0.08 -0.49 1.52 2.41 -0.33 0.00 0.00 177.00 180.19 1spu n THR 701 N 2.02 1.26 -5.20 0.99 -1.04 -1.26 -4.68 114.28 106.37 1spu n THR 701 Ca 0.06 -0.32 -0.32 0.00 -2.04 0.00 0.00 64.05 61.44 1spu n THR 701 Cb 0.39 -1.84 -0.16 0.00 -1.82 0.00 0.00 70.33 66.90 1spu n THR 701 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1spu s GLU 702 N -0.89 2.39 0.14 -2.82 0.41 -0.45 -4.92 118.70 112.56 1spu s GLU 702 Ca 0.62 -0.87 0.09 0.00 -0.41 0.00 0.00 54.97 54.40 1spu s GLU 702 Cb -0.53 -2.17 -0.04 0.00 -1.78 0.00 0.00 34.13 29.62 1spu s GLU 702 CO 0.53 0.49 -0.21 -1.58 -0.49 0.00 0.00 175.26 173.99 1spu s TRP 703 N -0.43 1.95 0.00 1.61 0.52 -1.26 -0.85 118.94 120.48 1spu s TRP 703 Ca 0.04 -0.42 0.06 0.00 0.02 0.00 0.00 56.10 55.80 1spu s TRP 703 Cb -0.12 -1.02 -0.02 0.00 -1.15 0.00 0.00 33.47 31.17 1spu s TRP 703 CO 0.01 0.31 -0.18 0.14 0.02 0.00 0.00 176.95 177.25 1spu s VAL 704 N -1.50 1.40 0.06 4.03 -7.23 -0.40 -1.17 120.40 115.59 1spu s VAL 704 Ca 0.12 -0.84 0.09 0.00 -1.81 0.00 0.00 61.98 59.54 1spu s VAL 704 Cb -0.08 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.64 1spu s VAL 704 CO 0.06 0.32 -0.26 -1.00 -0.31 0.00 0.00 175.10 173.91 1spu s HIS 705 N -0.51 2.28 0.11 2.82 0.09 0.16 -1.53 115.29 118.71 1spu s HIS 705 Ca 0.06 -0.41 0.04 0.00 -0.00 0.00 0.00 55.06 54.75 1spu s HIS 705 Cb -0.07 -1.35 -0.04 0.00 -0.00 0.00 0.00 32.58 31.12 1spu s HIS 705 CO -0.00 0.15 -0.09 0.95 -0.00 0.00 0.00 174.74 175.75 1spu s THR 706 N -0.84 0.96 0.00 1.30 -4.23 -0.07 -1.29 115.64 111.46 1spu s THR 706 Ca 0.12 -1.80 -0.11 0.00 -1.18 0.00 0.00 61.69 58.71 1spu s THR 706 Cb -0.10 -1.54 0.01 0.00 1.34 0.00 0.00 72.50 72.21 1spu s THR 706 CO 0.03 -0.66 0.23 -0.22 -0.54 0.00 0.00 174.62 173.46 1spu s LEU 707 N -2.73 1.17 -0.23 4.79 2.96 0.46 -1.55 118.68 123.54 1spu s LEU 707 Ca 0.09 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1spu s LEU 707 Cb -0.00 1.01 0.07 0.00 0.50 0.00 0.00 46.19 47.77 1spu s LEU 707 CO -0.01 -0.44 0.02 -0.76 -1.32 0.00 0.00 176.35 173.85 1spu s LEU 708 N -1.46 1.88 -0.10 -0.68 1.43 -0.19 -0.53 118.68 119.03 1spu s LEU 708 Ca -0.13 -1.12 -0.01 0.00 -1.03 0.00 0.00 54.13 51.85 1spu s LEU 708 Cb -0.06 -0.85 -0.03 0.00 0.03 0.00 0.00 46.19 45.29 1spu s LEU 708 CO 0.02 -0.31 -0.07 -0.54 0.23 0.00 0.00 176.35 175.69 1spu s LYS 709 N 1.65 3.07 0.26 1.70 1.02 -0.49 -0.89 119.74 126.05 1spu s LYS 709 Ca -0.00 -0.56 -0.31 0.00 0.02 0.00 0.00 55.97 55.13 1spu s LYS 709 Cb -0.18 -2.68 -0.11 0.00 -0.52 0.00 0.00 37.83 34.34 1spu s LYS 709 CO -0.11 0.50 1.63 -1.25 -0.92 0.00 0.00 175.35 175.20 1spu s PRO 710 N -0.36 4.13 -0.38 -1.68 0.04 -1.26 -0.20 135.00 135.29 1spu s PRO 710 Ca 0.05 2.56 0.01 0.00 0.04 0.00 0.00 61.00 63.67 1spu s PRO 710 Cb -0.12 -3.05 0.12 0.00 0.04 0.00 0.00 34.50 31.48 1spu s PRO 710 CO 0.02 -0.66 0.16 -0.46 0.04 0.00 0.00 177.00 176.10 1spu s TRP 711 N 0.46 2.12 -0.88 0.56 -0.11 0.35 -4.70 118.94 116.74 1spu s TRP 711 Ca 0.67 -2.24 0.00 0.00 1.22 0.00 0.00 56.10 55.75 1spu s TRP 711 Cb -0.48 -1.97 0.00 0.00 -1.50 0.00 0.00 33.47 29.52 1spu s TRP 711 CO 0.41 -0.84 0.00 0.09 -4.62 0.00 0.00 176.95 171.99 1spu n ASN 712 N 4.15 -4.62 -0.10 5.86 3.02 -1.26 -2.03 115.26 120.28 1spu n ASN 712 Ca 0.04 0.21 -0.12 0.00 -0.03 0.00 0.00 54.58 54.67 1spu n ASN 712 Cb 0.38 -2.85 -0.04 0.00 -0.61 0.00 0.00 39.78 36.66 1spu n ASN 712 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1spu h PHE 713 N 0.00 0.69 -1.58 3.10 3.57 -1.84 -3.37 116.94 117.51 1spu h PHE 713 Ca -0.17 -0.17 -0.44 0.00 3.53 0.00 0.00 57.97 60.72 1spu h PHE 713 Cb 0.75 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 39.33 1spu h PHE 713 CO 0.36 0.84 -0.31 -0.06 -2.23 0.00 0.00 178.31 176.91 1spu s PHE 714 N -4.61 2.90 -0.73 0.41 0.08 -1.26 -4.84 117.98 109.92 1spu s PHE 714 Ca -0.13 -0.35 0.23 0.00 0.12 0.00 0.00 56.93 56.80 1spu s PHE 714 Cb 0.08 -2.21 0.06 0.00 -0.57 0.00 0.00 43.02 40.38 1spu s PHE 714 CO 0.79 -0.23 1.05 -0.25 -0.10 0.00 0.00 175.22 176.48 1spu n ASP 715 N -1.73 0.65 -3.39 1.36 8.00 -1.26 -4.81 116.55 115.37 1spu n ASP 715 Ca 0.04 -0.36 -0.03 0.00 0.71 0.00 0.00 54.79 55.15 1spu n ASP 715 Cb 0.59 0.79 0.02 0.00 -0.02 0.00 0.00 41.12 42.49 1spu n ASP 715 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1spu s GLU 716 N -3.14 1.29 -0.41 -1.24 -1.05 -1.26 -4.92 118.70 107.97 1spu s GLU 716 Ca 0.05 -0.82 -0.42 0.00 -0.15 0.00 0.00 54.97 53.63 1spu s GLU 716 Cb 0.15 0.36 -0.17 0.00 -0.44 0.00 0.00 34.13 34.04 1spu s GLU 716 CO 0.80 -0.60 1.94 2.41 0.95 0.00 0.00 175.26 180.76 1spu n THR 717 N -0.69 0.12 0.26 1.83 -1.04 -1.26 -4.82 114.28 108.68 1spu n THR 717 Ca -0.03 -0.07 0.11 0.00 -2.04 0.00 0.00 64.05 62.01 1spu n THR 717 Cb 0.59 -0.95 0.69 0.00 -1.82 0.00 0.00 70.33 68.85 1spu n THR 717 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1spu h PRO 718 N 8.48 0.00 -0.12 -2.82 0.11 -1.98 -3.10 132.00 132.57 1spu h PRO 718 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1spu h PRO 718 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1spu h PRO 718 CO 1.02 0.11 0.00 0.25 -0.21 0.00 0.00 178.00 179.17 1spu n THR 719 N -3.93 0.14 -0.32 -1.15 -2.24 -1.26 -4.56 114.28 100.95 1spu n THR 719 Ca -0.02 -0.39 0.07 0.00 -2.27 0.00 0.00 64.05 61.44 1spu n THR 719 Cb 0.20 0.66 0.23 0.00 -2.10 0.00 0.00 70.33 69.32 1spu n THR 719 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1spu h LEU 720 N 2.92 0.73 0.00 3.22 3.38 -1.93 -3.48 115.31 120.15 1spu h LEU 720 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1spu h LEU 720 Cb 0.63 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1spu h LEU 720 CO 0.00 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.49 1spu n GLY 721 N -1.33 2.54 3.74 0.83 0.00 -1.26 -5.02 105.19 104.69 1spu n GLY 721 Ca 0.18 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 1spu n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spu s ALA 722 N -2.14 3.55 0.08 4.61 0.00 -1.26 -4.98 121.76 121.62 1spu s ALA 722 Ca 0.00 1.17 -0.30 0.00 0.00 0.00 0.00 51.96 52.82 1spu s ALA 722 Cb 0.00 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1spu s ALA 722 CO 0.00 -0.59 1.11 -1.17 0.00 0.00 0.00 175.76 175.11 1spu s LEU 723 N -0.15 4.41 0.14 0.00 2.96 -1.26 -4.93 118.68 119.84 1spu s LEU 723 Ca 0.58 1.94 0.24 0.00 -0.22 0.00 0.00 54.13 56.67 1spu s LEU 723 Cb -0.38 -3.58 0.30 0.00 0.50 0.00 0.00 46.19 43.03 1spu s LEU 723 CO 0.39 -0.34 1.29 0.11 -1.32 0.00 0.00 176.35 176.49 1spu h LYS 724 N 6.30 0.00 0.00 1.98 1.57 -2.03 -3.57 116.57 120.82 1spu h LYS 724 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1spu h LYS 724 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1spu h LYS 724 CO 0.77 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.28