#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spu s VAL 8 N 0.00 1.10 0.06 2.03 -7.23 0.88 -4.84 120.40 112.40 1spu s VAL 8 Ca 0.00 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 57.82 1spu s VAL 8 Cb 0.00 -2.37 -0.07 0.00 0.56 0.00 0.00 36.38 34.50 1spu s VAL 8 CO 0.00 -0.31 1.43 -2.16 -0.31 0.00 0.00 175.10 173.75 1spu s PRO 9 N -3.85 4.29 0.07 4.82 0.04 -1.26 -0.66 135.00 138.44 1spu s PRO 9 Ca 0.29 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.19 1spu s PRO 9 Cb 0.06 -3.44 -0.11 0.00 0.04 0.00 0.00 34.50 31.05 1spu s PRO 9 CO 0.09 -0.54 1.45 1.98 0.04 0.00 0.00 177.00 180.03 1spu h MET 10 N 7.47 0.41 -0.66 4.56 4.05 -1.16 -2.70 114.93 126.90 1spu h MET 10 Ca -0.40 -0.16 0.10 0.00 -0.28 0.00 0.00 59.70 58.96 1spu h MET 10 Cb 1.19 -0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.90 1spu h MET 10 CO 0.89 0.67 0.27 -0.44 0.23 0.00 0.00 176.91 178.53 1spu h ASP 11 N 0.13 0.29 0.52 1.39 3.32 -1.91 0.13 116.42 120.29 1spu h ASP 11 Ca 0.05 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1spu h ASP 11 Cb 0.52 0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.12 1spu h ASP 11 CO 0.02 0.16 -0.25 0.11 -1.72 0.00 0.00 179.24 177.56 1spu h LYS 12 N 0.46 -0.67 -0.36 3.56 1.57 -1.94 0.12 116.57 119.31 1spu h LYS 12 Ca 0.34 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.23 1spu h LYS 12 Cb 0.43 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 1spu h LYS 12 CO -0.32 -0.38 -0.05 1.15 -0.57 0.00 0.00 179.45 179.28 1spu h THR 13 N -0.87 0.68 -0.22 -0.16 2.02 -1.29 0.11 112.91 113.17 1spu h THR 13 Ca -0.07 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 1spu h THR 13 Cb 0.60 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1spu h THR 13 CO 0.12 0.01 -0.06 -0.07 0.37 0.00 0.00 175.52 175.89 1spu h LEU 14 N 0.04 0.44 -1.04 2.58 3.38 -0.73 -0.85 115.31 119.14 1spu h LEU 14 Ca 0.17 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1spu h LEU 14 Cb 0.26 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1spu h LEU 14 CO -0.34 0.71 -0.09 0.11 0.09 0.00 0.00 178.44 178.92 1spu h LYS 15 N 0.17 0.00 0.00 1.13 1.57 -0.52 -0.39 116.57 118.53 1spu h LYS 15 Ca 0.06 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 1spu h LYS 15 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1spu h LYS 15 CO 0.02 0.09 -0.73 1.49 -0.57 0.00 0.00 179.45 179.75 1spu h GLU 16 N 0.00 0.00 0.00 3.15 4.81 -0.64 -3.08 114.58 118.82 1spu h GLU 16 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1spu h GLU 16 Cb 0.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1spu h GLU 16 CO 0.01 0.73 -0.17 0.35 -0.73 0.00 0.00 179.01 179.21 1spu h PHE 17 N 0.00 0.00 0.00 0.92 3.57 -0.41 -3.48 116.94 117.54 1spu h PHE 17 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1spu h PHE 17 Cb 1.49 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.23 1spu h PHE 17 CO 0.00 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.49 1spu n GLY 18 N 1.23 0.85 3.80 2.40 0.00 -0.83 -5.07 105.19 107.57 1spu n GLY 18 Ca 0.04 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 3.31 -0.05 4.61 0.00 -0.22 -4.84 121.76 122.56 1spu s ALA 19 Ca 0.00 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.20 1spu s ALA 19 Cb 0.00 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 1spu s ALA 19 CO 0.00 0.25 0.31 0.34 0.00 0.00 0.00 175.76 176.65 1spu s ASP 20 N -1.62 6.64 -0.10 0.00 2.15 0.42 -4.00 116.67 120.15 1spu s ASP 20 Ca 0.46 0.76 0.02 0.00 0.43 0.00 0.00 52.55 54.23 1spu s ASP 20 Cb -0.18 -2.18 0.01 0.00 -0.30 0.00 0.00 42.92 40.27 1spu s ASP 20 CO 0.23 0.34 -0.17 -0.69 -0.17 0.00 0.00 175.17 174.70 1spu s VAL 21 N -0.95 1.61 -0.06 1.11 1.01 -1.26 -1.17 120.40 120.69 1spu s VAL 21 Ca 0.20 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.51 1spu s VAL 21 Cb -0.15 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 1spu s VAL 21 CO 0.09 0.46 -0.25 -1.10 0.00 0.00 0.00 175.10 174.31 1spu s GLN 22 N 0.80 2.57 -0.13 2.72 -0.21 0.28 -4.96 119.66 120.72 1spu s GLN 22 Ca -0.10 -0.90 -0.01 0.00 0.02 0.00 0.00 55.36 54.37 1spu s GLN 22 Cb -0.16 -2.17 -0.02 0.00 1.00 0.00 0.00 33.01 31.66 1spu s GLN 22 CO 0.01 0.38 -0.10 -0.46 -2.12 0.00 0.00 175.29 173.00 1spu s TRP 23 N -0.16 2.88 -0.30 0.91 -0.11 -1.26 0.11 118.94 121.01 1spu s TRP 23 Ca -0.04 -0.48 -0.01 0.00 1.22 0.00 0.00 56.10 56.79 1spu s TRP 23 Cb -0.14 -1.86 0.05 0.00 -1.50 0.00 0.00 33.47 30.03 1spu s TRP 23 CO 0.04 -0.11 -0.01 0.34 -4.62 0.00 0.00 176.95 172.59 1spu s ASP 24 N 0.24 4.84 0.32 5.86 -1.08 0.19 -4.96 116.67 122.08 1spu s ASP 24 Ca -0.07 -1.34 0.08 0.00 -0.52 0.00 0.00 52.55 50.71 1spu s ASP 24 Cb -0.15 -1.69 0.56 0.00 -1.46 0.00 0.00 42.92 40.18 1spu s ASP 24 CO 0.04 -0.26 1.76 -0.78 0.52 0.00 0.00 175.17 176.45 1spu h ASP 25 N 7.96 0.21 -0.05 -0.34 3.58 -1.96 0.56 116.42 126.38 1spu h ASP 25 Ca -0.20 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.16 1spu h ASP 25 Cb 1.06 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.05 1spu h ASP 25 CO 0.53 0.55 -0.01 0.22 -2.88 0.00 0.00 179.24 177.65 1spu h TYR 26 N 0.18 0.11 -0.01 0.28 3.20 -1.97 -3.23 116.97 115.54 1spu h TYR 26 Ca 0.02 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1spu h TYR 26 Cb 0.70 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1spu h TYR 26 CO 0.01 0.43 -0.40 0.00 -1.64 0.00 0.00 178.16 176.56 1spu n ALA 27 N -2.30 3.38 -3.47 1.82 0.00 -1.19 -4.94 120.51 113.81 1spu n ALA 27 Ca -0.07 -0.45 -0.20 0.00 0.00 0.00 0.00 53.44 52.72 1spu n ALA 27 Cb 0.21 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.76 -3.67 -4.12 0.00 1.13 0.17 -4.99 117.38 105.16 1spu n GLN 28 Ca 0.10 0.74 -0.16 0.00 -1.94 0.00 0.00 57.00 55.73 1spu n GLN 28 Cb 0.37 -5.40 -0.15 0.00 0.11 0.00 0.00 30.24 25.16 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 -6.09 1.80 -0.19 1.08 2.96 0.11 -4.32 118.68 114.04 1spu s LEU 29 Ca 0.25 -0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 53.96 1spu s LEU 29 Cb -0.05 -0.27 -0.05 0.00 0.50 0.00 0.00 46.19 46.32 1spu s LEU 29 CO 0.77 0.02 0.22 -0.36 -1.32 0.00 0.00 176.35 175.69 1spu s PHE 30 N 0.18 3.42 -0.22 5.38 0.08 0.63 0.52 117.98 127.97 1spu s PHE 30 Ca -0.02 0.46 -0.01 0.00 0.12 0.00 0.00 56.93 57.48 1spu s PHE 30 Cb -0.05 -2.28 0.02 0.00 -0.57 0.00 0.00 43.02 40.14 1spu s PHE 30 CO -0.00 0.22 -0.11 0.99 -0.10 0.00 0.00 175.22 176.22 1spu s THR 31 N 0.55 2.68 -0.15 0.64 2.01 0.31 -0.30 115.64 121.36 1spu s THR 31 Ca 0.13 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 61.20 1spu s THR 31 Cb -0.12 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 1spu s THR 31 CO 0.02 0.35 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.45 1spu s LEU 32 N 1.34 2.89 -0.03 4.42 1.43 0.13 1.00 118.68 129.85 1spu s LEU 32 Ca 0.02 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 1spu s LEU 32 Cb -0.15 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 1spu s LEU 32 CO -0.07 0.13 -0.15 -0.63 0.23 0.00 0.00 176.35 175.86 1spu s ILE 33 N 0.57 1.20 -0.28 -0.59 1.01 -0.32 -0.75 121.20 122.06 1spu s ILE 33 Ca -0.06 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 1spu s ILE 33 Cb -0.15 -1.03 0.16 0.00 0.01 0.00 0.00 42.46 41.45 1spu s ILE 33 CO 0.03 0.35 0.53 -0.75 0.00 0.00 0.00 174.94 175.10 1spu s LYS 34 N -0.04 0.49 6.66 2.79 2.20 -0.84 -0.44 119.74 130.56 1spu s LYS 34 Ca -0.01 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.54 1spu s LYS 34 Cb -0.09 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1spu s LYS 34 CO 0.01 -0.55 0.00 -0.25 -0.36 0.00 0.00 175.35 174.20 1spu n ASP 35 N 5.41 0.00 -0.13 1.43 8.00 -1.26 -1.59 116.55 128.41 1spu n ASP 35 Ca -0.04 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.62 1spu n ASP 35 Cb 0.50 0.00 0.79 0.00 -0.02 0.00 0.00 41.12 42.39 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 -0.78 3.56 0.44 0.00 -1.26 -4.79 105.19 102.37 1spu n GLY 36 Ca 0.00 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.11 3.43 -0.30 4.61 0.00 -0.62 -4.49 121.76 122.28 1spu s ALA 37 Ca 0.41 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.52 1spu s ALA 37 Cb 0.21 -3.22 0.08 0.00 0.00 0.00 0.00 23.12 20.20 1spu s ALA 37 CO 0.38 -1.43 0.00 -0.47 0.00 0.00 0.00 175.76 174.25 1spu s TYR 38 N 2.78 3.15 -0.05 0.00 6.14 -1.26 -1.99 117.35 126.11 1spu s TYR 38 Ca 0.25 -2.48 0.04 0.00 0.64 0.00 0.00 57.07 55.52 1spu s TYR 38 Cb -0.14 -2.32 -0.02 0.00 0.42 0.00 0.00 41.96 39.89 1spu s TYR 38 CO 0.16 -0.89 -0.16 0.08 0.64 0.00 0.00 175.55 175.37 1spu s VAL 39 N 1.12 2.89 -0.09 3.14 1.01 0.07 -0.33 120.40 128.22 1spu s VAL 39 Ca 0.04 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1spu s VAL 39 Cb -0.19 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.09 1spu s VAL 39 CO -0.09 0.59 -0.12 -0.54 0.00 0.00 0.00 175.10 174.93 1spu s LYS 40 N -0.64 1.82 -0.05 2.72 1.02 -0.60 0.22 119.74 124.23 1spu s LYS 40 Ca 0.10 -0.42 -0.04 0.00 0.02 0.00 0.00 55.97 55.62 1spu s LYS 40 Cb -0.11 -1.60 0.01 0.00 -0.52 0.00 0.00 37.83 35.61 1spu s LYS 40 CO 0.01 -0.07 0.12 0.54 -0.92 0.00 0.00 175.35 175.03 1spu s VAL 41 N 1.02 -0.00 -0.12 3.17 0.11 0.58 -1.16 120.40 124.00 1spu s VAL 41 Ca -0.07 0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 58.96 1spu s VAL 41 Cb -0.15 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 1spu s VAL 41 CO -0.01 0.01 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.21 1spu s LYS 42 N 0.14 3.29 0.20 1.54 1.02 -1.26 -0.27 119.74 124.40 1spu s LYS 42 Ca -0.01 -0.45 -0.33 0.00 0.02 0.00 0.00 55.97 55.21 1spu s LYS 42 Cb -0.02 -2.85 -0.13 0.00 -0.52 0.00 0.00 37.83 34.30 1spu s LYS 42 CO -0.00 0.51 1.54 -2.30 -0.92 0.00 0.00 175.35 174.17 1spu n PRO 43 N 2.74 2.19 -0.76 -1.68 -0.02 -1.26 -1.36 135.00 134.85 1spu n PRO 43 Ca -0.18 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1spu n PRO 43 Cb 0.53 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 2.99 1.41 3.77 -1.23 0.00 0.12 -4.92 105.19 107.34 1spu n GLY 44 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.70 3.19 -1.28 4.61 0.00 -0.46 -4.85 121.76 119.26 1spu s ALA 45 Ca 0.00 0.72 0.28 0.00 0.00 0.00 0.00 51.96 52.96 1spu s ALA 45 Cb 0.00 -3.27 1.15 0.00 0.00 0.00 0.00 23.12 21.00 1spu s ALA 45 CO 0.00 -0.12 1.83 1.04 0.00 0.00 0.00 175.76 178.51 1spu n GLN 46 N 0.40 0.30 -4.15 0.00 6.02 -1.26 -4.22 117.38 114.46 1spu n GLN 46 Ca 0.03 -0.08 -0.10 0.00 -0.01 0.00 0.00 57.00 56.84 1spu n GLN 46 Cb 0.48 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.15 1spu n GLN 46 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1spu s THR 47 N -2.76 0.17 0.37 5.09 -4.23 -1.26 0.56 115.64 113.58 1spu s THR 47 Ca 0.21 -1.90 0.04 0.00 -1.18 0.00 0.00 61.69 58.85 1spu s THR 47 Cb 0.19 -1.97 -0.03 0.00 1.34 0.00 0.00 72.50 72.03 1spu s THR 47 CO 0.53 -0.55 0.15 0.00 -0.54 0.00 0.00 174.62 174.21 1spu s ALA 48 N -3.99 2.51 -0.12 3.99 0.00 0.61 -4.64 121.76 120.12 1spu s ALA 48 Ca 0.21 -1.53 0.03 0.00 0.00 0.00 0.00 51.96 50.67 1spu s ALA 48 Cb 0.07 0.93 0.01 0.00 0.00 0.00 0.00 23.12 24.13 1spu s ALA 48 CO 0.00 -0.42 -0.20 0.42 0.00 0.00 0.00 175.76 175.56 1spu s ILE 49 N -3.35 1.88 -0.22 0.00 -1.09 -0.31 -0.85 121.20 117.26 1spu s ILE 49 Ca 0.30 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 1spu s ILE 49 Cb 0.04 -1.66 0.05 0.00 -1.58 0.00 0.00 42.46 39.31 1spu s ILE 49 CO 0.17 0.52 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.65 1spu s VAL 50 N 0.71 1.43 -1.33 2.92 1.01 0.33 -1.56 120.40 123.90 1spu s VAL 50 Ca -0.11 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 1spu s VAL 50 Cb -0.16 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1spu s VAL 50 CO 0.02 -0.03 0.74 0.59 0.00 0.00 0.00 175.10 176.41 1spu n ASN 51 N 4.73 -1.63 0.00 3.32 5.03 0.55 -1.44 115.26 125.81 1spu n ASN 51 Ca -0.12 -0.81 0.00 0.00 0.87 0.00 0.00 54.58 54.51 1spu n ASN 51 Cb 0.45 -4.04 0.00 0.00 -1.02 0.00 0.00 39.78 35.17 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 -1.59 2.57 3.80 7.41 0.00 -1.19 -4.62 105.19 111.56 1spu n GLY 52 Ca -0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.01 3.58 0.24 1.61 -1.52 -0.52 -5.07 119.66 117.97 1spu s GLN 53 Ca 0.00 -0.21 -0.30 0.00 -1.95 0.00 0.00 55.36 52.90 1spu s GLN 53 Cb 0.00 -3.18 -0.09 0.00 -0.22 0.00 0.00 33.01 29.52 1spu s GLN 53 CO 0.00 0.62 0.99 -1.25 -0.25 0.00 0.00 175.29 175.40 1spu s PRO 54 N -0.59 4.78 -0.14 2.91 0.05 -1.26 0.12 135.00 140.88 1spu s PRO 54 Ca 0.12 1.58 -0.00 0.00 0.05 0.00 0.00 61.00 62.74 1spu s PRO 54 Cb -0.12 -3.26 0.03 0.00 0.05 0.00 0.00 34.50 31.20 1spu s PRO 54 CO 0.02 0.40 -0.06 -1.17 0.05 0.00 0.00 177.00 176.24 1spu s LEU 55 N -1.12 1.39 0.09 -3.56 2.96 -0.03 -4.90 118.68 113.52 1spu s LEU 55 Ca 0.43 -0.48 -0.31 0.00 -0.22 0.00 0.00 54.13 53.55 1spu s LEU 55 Cb -0.27 -0.88 -0.08 0.00 0.50 0.00 0.00 46.19 45.46 1spu s LEU 55 CO 0.34 -0.15 1.46 0.00 -1.32 0.00 0.00 176.35 176.68 1spu s ALA 56 N 1.67 3.63 -0.14 5.97 0.00 -1.26 -0.29 121.76 131.34 1spu s ALA 56 Ca 0.03 1.13 -0.07 0.00 0.00 0.00 0.00 51.96 53.04 1spu s ALA 56 Cb -0.14 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 1spu s ALA 56 CO -0.08 -0.77 0.11 -0.51 0.00 0.00 0.00 175.76 174.51 1spu s LEU 57 N 1.60 4.17 0.02 0.00 1.43 0.19 -4.91 118.68 121.17 1spu s LEU 57 Ca 0.67 0.32 -0.25 0.00 -1.03 0.00 0.00 54.13 53.84 1spu s LEU 57 Cb -0.37 -2.03 -0.18 0.00 0.03 0.00 0.00 46.19 43.63 1spu s LEU 57 CO 0.30 0.32 1.43 1.56 0.23 0.00 0.00 176.35 180.18 1spu h GLN 58 N 5.66 -0.01 -4.23 1.70 4.20 -1.95 -3.42 115.11 117.05 1spu h GLN 58 Ca -0.48 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 57.62 1spu h GLN 58 Cb 1.20 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.59 1spu h GLN 58 CO 0.64 0.31 -0.78 0.08 -0.67 0.00 0.00 178.83 178.41 1spu s VAL 59 N -4.92 1.44 0.71 -0.54 1.01 -1.26 -5.14 120.40 111.70 1spu s VAL 59 Ca -0.15 -1.26 -0.15 0.00 0.00 0.00 0.00 61.98 60.41 1spu s VAL 59 Cb 0.03 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.66 1spu s VAL 59 CO 0.67 -0.20 1.19 -2.84 0.00 0.00 0.00 175.10 173.92 1spu s PRO 60 N 1.42 2.27 0.29 2.72 0.02 -1.26 -4.69 135.00 135.76 1spu s PRO 60 Ca -0.03 1.71 -0.30 0.00 0.02 0.00 0.00 61.00 62.41 1spu s PRO 60 Cb -0.19 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.37 1spu s PRO 60 CO -0.08 -1.72 1.56 0.08 -0.33 0.00 0.00 177.00 176.50 1spu s VAL 61 N -2.01 2.19 -0.18 3.83 1.01 -1.26 -4.73 120.40 119.25 1spu s VAL 61 Ca 0.73 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.86 1spu s VAL 61 Cb -0.28 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1spu s VAL 61 CO 0.44 0.03 -0.10 -0.69 0.00 0.00 0.00 175.10 174.78 1spu s VAL 62 N -0.06 3.03 -0.22 2.92 1.01 -0.16 0.14 120.40 127.06 1spu s VAL 62 Ca 0.62 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 1spu s VAL 62 Cb -0.46 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1spu s VAL 62 CO 0.48 0.48 0.44 -0.04 0.00 0.00 0.00 175.10 176.45 1spu s MET 63 N 1.07 4.14 -0.21 2.72 -1.94 -1.26 0.13 119.30 123.96 1spu s MET 63 Ca 0.00 0.24 -0.05 0.00 -1.71 0.00 0.00 55.69 54.18 1spu s MET 63 Cb -0.15 -3.58 0.07 0.00 2.01 0.00 0.00 34.83 33.19 1spu s MET 63 CO -0.02 -0.14 0.10 0.21 -0.01 0.00 0.00 175.02 175.15 1spu s LYS 64 N 1.64 0.14 -0.11 2.03 2.20 0.49 -4.72 119.74 121.40 1spu s LYS 64 Ca 0.20 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.58 1spu s LYS 64 Cb -0.15 -1.67 0.00 0.00 -1.51 0.00 0.00 37.83 34.50 1spu s LYS 64 CO 0.09 -0.77 0.00 -3.47 -0.36 0.00 0.00 175.35 170.84 1spu n ASP 65 N 5.25 -2.68 -3.11 1.43 -0.08 -1.26 -2.83 116.55 113.28 1spu n ASP 65 Ca -0.07 0.02 -0.17 0.00 -1.51 0.00 0.00 54.79 53.07 1spu n ASP 65 Cb 0.47 -0.74 0.07 0.00 2.34 0.00 0.00 41.12 43.27 1spu n ASP 65 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1spu n ASN 66 N 1.81 -3.23 -4.00 1.67 4.13 -1.26 -5.03 115.26 109.35 1spu n ASN 66 Ca -0.01 -0.51 -0.21 0.00 1.68 0.00 0.00 54.58 55.52 1spu n ASN 66 Cb 0.15 -4.45 -0.16 0.00 -1.54 0.00 0.00 39.78 33.78 1spu n ASN 66 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1spu s LYS 67 N -5.48 1.11 0.19 3.52 -0.14 -1.13 -5.14 119.74 112.66 1spu s LYS 67 Ca 0.16 -0.32 -0.05 0.00 -1.36 0.00 0.00 55.97 54.41 1spu s LYS 67 Cb -0.07 -1.01 -0.05 0.00 -1.68 0.00 0.00 37.83 35.02 1spu s LYS 67 CO 0.63 0.09 0.42 0.00 -0.76 0.00 0.00 175.35 175.73 1spu s ALA 68 N 0.33 3.75 -0.02 5.17 0.00 -1.26 0.18 121.76 129.91 1spu s ALA 68 Ca -0.06 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.36 1spu s ALA 68 Cb -0.10 -2.16 -0.00 0.00 0.00 0.00 0.00 23.12 20.85 1spu s ALA 68 CO 0.01 0.55 -0.13 -1.58 0.00 0.00 0.00 175.76 174.61 1spu s TRP 69 N -1.78 1.25 0.24 0.00 0.52 0.36 -0.57 118.94 118.94 1spu s TRP 69 Ca 0.42 -0.29 0.02 0.00 0.02 0.00 0.00 56.10 56.27 1spu s TRP 69 Cb -0.12 -0.83 -0.05 0.00 -1.15 0.00 0.00 33.47 31.32 1spu s TRP 69 CO 0.26 -0.07 0.05 0.14 0.02 0.00 0.00 176.95 177.35 1spu s VAL 70 N -0.09 0.70 0.32 4.03 -7.23 0.17 -0.99 120.40 117.31 1spu s VAL 70 Ca 0.01 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.89 1spu s VAL 70 Cb -0.08 -2.47 -0.10 0.00 0.56 0.00 0.00 36.38 34.29 1spu s VAL 70 CO 0.00 -0.17 1.36 -0.55 -0.31 0.00 0.00 175.10 175.43 1spu s SER 71 N -3.29 6.68 0.00 4.85 0.15 -1.26 -0.08 113.70 120.75 1spu s SER 71 Ca 0.33 2.74 0.05 0.00 0.70 0.00 0.00 55.95 59.77 1spu s SER 71 Cb 0.07 -2.65 0.33 0.00 -1.71 0.00 0.00 66.02 62.06 1spu s SER 71 CO 0.10 -0.62 0.74 -0.90 1.20 0.00 0.00 173.24 173.77 1spu n ASP 72 N 1.00 0.00 -0.02 5.45 5.68 -1.26 -1.30 116.55 126.10 1spu n ASP 72 Ca 0.01 -0.24 0.09 0.00 -0.50 0.00 0.00 54.79 54.15 1spu n ASP 72 Cb 0.41 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.29 1spu n ASP 72 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1spu n THR 73 N -0.91 0.00 -0.03 2.12 -2.24 -1.26 -4.81 114.28 107.15 1spu n THR 73 Ca 0.04 -0.08 -0.03 0.00 -2.27 0.00 0.00 64.05 61.71 1spu n THR 73 Cb 0.02 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 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 0.12 -0.34 -0.68 4.78 3.57 -1.56 0.21 116.94 123.03 1spu h PHE 74 Ca 0.00 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.66 1spu h PHE 74 Cb 0.44 0.16 -0.11 0.00 2.79 0.00 0.00 35.95 39.23 1spu h PHE 74 CO 0.00 -0.10 0.06 0.82 -2.23 0.00 0.00 178.31 176.86 1spu h ILE 75 N -0.07 0.47 0.34 1.41 2.04 -1.87 0.93 117.51 120.75 1spu h ILE 75 Ca 0.02 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1spu h ILE 75 Cb 0.12 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1spu h ILE 75 CO -0.12 0.03 -0.16 -1.13 0.00 0.00 0.00 178.15 176.76 1spu h ASN 76 N 0.16 -0.38 -0.75 1.72 -0.73 -1.88 0.73 115.58 114.45 1spu h ASN 76 Ca 0.37 -0.08 0.07 0.00 1.87 0.00 0.00 56.30 58.53 1spu h ASN 76 Cb 0.62 0.10 -0.06 0.00 0.27 0.00 0.00 38.32 39.25 1spu h ASN 76 CO -0.55 -0.15 0.43 0.44 -0.37 0.00 0.00 177.43 177.23 1spu h ASP 77 N -0.60 0.64 0.00 1.15 5.19 0.43 -0.50 116.42 122.74 1spu h ASP 77 Ca -0.05 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1spu h ASP 77 Cb 0.44 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 1spu h ASP 77 CO 0.08 0.40 -0.48 0.58 -3.12 0.00 0.00 179.24 176.70 1spu h VAL 78 N 0.78 0.01 0.00 -1.35 2.07 0.94 -3.20 116.25 115.49 1spu h VAL 78 Ca 0.34 -1.01 -0.11 0.00 0.82 0.00 0.00 66.70 66.74 1spu h VAL 78 Cb 0.23 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1spu h VAL 78 CO -0.20 0.00 -0.51 -0.26 0.02 0.00 0.00 177.57 176.62 1spu h PHE 79 N -1.00 0.00 -0.61 1.57 -1.00 0.34 -2.79 116.94 113.46 1spu h PHE 79 Ca -0.00 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.50 1spu h PHE 79 Cb 0.48 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 39.87 1spu h PHE 79 CO -0.20 0.51 0.21 1.04 -1.61 0.00 0.00 178.31 178.27 1spu n GLN 80 N -3.83 2.38 -0.19 1.51 6.02 -0.20 -4.66 117.38 118.40 1spu n GLN 80 Ca -0.01 -3.08 -0.08 0.00 -0.01 0.00 0.00 57.00 53.82 1spu n GLN 80 Cb 0.54 -2.00 0.02 0.00 1.02 0.00 0.00 30.24 29.82 1spu n GLN 80 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1spu h SER 81 N 1.35 0.70 0.00 1.08 4.64 -1.40 -3.46 113.55 116.45 1spu h SER 81 Ca 0.34 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1spu h SER 81 Cb 2.13 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 1spu h SER 81 CO 0.65 0.63 0.00 0.61 -0.87 0.00 0.00 176.83 177.86 1spu n GLY 82 N -0.92 1.63 0.19 -0.77 0.00 -1.26 -4.97 105.19 99.09 1spu n GLY 82 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 -8.25 0.99 3.38 -1.90 -3.37 115.31 106.17 1spu h LEU 83 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1spu h LEU 83 Cb 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.59 1spu h LEU 83 CO 0.00 0.38 0.42 -0.62 0.09 0.00 0.00 178.44 178.71 1spu s ASP 84 N -6.59 6.18 -0.06 -0.43 2.15 -1.26 -4.73 116.67 111.94 1spu s ASP 84 Ca -0.01 -1.07 0.10 0.00 0.43 0.00 0.00 52.55 52.00 1spu s ASP 84 Cb 0.12 -2.39 0.40 0.00 -0.30 0.00 0.00 42.92 40.76 1spu s ASP 84 CO 0.69 -1.34 1.25 0.00 -0.17 0.00 0.00 175.17 175.61 1spu n GLN 85 N 7.31 2.49 -0.35 4.34 6.02 -1.26 -4.38 117.38 131.55 1spu n GLN 85 Ca -0.05 -1.59 0.07 0.00 -0.01 0.00 0.00 57.00 55.42 1spu n GLN 85 Cb 0.45 -1.59 0.23 0.00 1.02 0.00 0.00 30.24 30.35 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 2.30 0.90 -3.86 5.09 2.02 -1.88 -3.41 112.91 114.07 1spu h THR 86 Ca 0.00 -0.33 -0.68 0.00 0.77 0.00 0.00 66.41 66.17 1spu h THR 86 Cb 0.89 -0.13 -0.21 0.00 -1.74 0.00 0.00 68.15 66.96 1spu h THR 86 CO 0.12 0.17 -0.76 -0.36 0.37 0.00 0.00 175.52 175.07 1spu s PHE 87 N -5.96 2.72 0.13 3.16 0.08 -1.26 -1.01 117.98 115.83 1spu s PHE 87 Ca -0.12 -0.15 0.05 0.00 0.12 0.00 0.00 56.93 56.83 1spu s PHE 87 Cb 0.22 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 1spu s PHE 87 CO 0.80 0.28 -0.12 -0.65 -0.10 0.00 0.00 175.22 175.43 1spu s GLN 88 N -1.21 1.01 0.16 0.44 -1.52 0.73 -4.91 119.66 114.35 1spu s GLN 88 Ca 0.15 -1.29 -0.30 0.00 -1.95 0.00 0.00 55.36 51.97 1spu s GLN 88 Cb -0.11 -0.77 -0.07 0.00 -0.22 0.00 0.00 33.01 31.84 1spu s GLN 88 CO 0.05 0.13 1.06 0.54 -0.25 0.00 0.00 175.29 176.82 1spu s VAL 89 N -2.51 4.03 -0.50 1.09 0.11 -1.26 -3.38 120.40 117.98 1spu s VAL 89 Ca 0.11 1.75 -0.14 0.00 -2.93 0.00 0.00 61.98 60.77 1spu s VAL 89 Cb -0.03 -4.12 0.11 0.00 -1.53 0.00 0.00 36.38 30.81 1spu s VAL 89 CO 0.02 0.30 0.43 -0.70 -3.33 0.00 0.00 175.10 171.82 1spu s GLU 90 N -0.32 2.88 0.30 1.54 2.12 -1.26 -4.83 118.70 119.12 1spu s GLU 90 Ca 0.48 -1.61 0.16 0.00 0.36 0.00 0.00 54.97 54.36 1spu s GLU 90 Cb -0.28 -4.16 0.16 0.00 0.26 0.00 0.00 34.13 30.11 1spu s GLU 90 CO 0.33 -1.20 1.49 0.87 -0.54 0.00 0.00 175.26 176.21 1spu h LYS 91 N 8.75 0.00 -4.01 4.30 1.57 -1.97 -3.40 116.57 121.81 1spu h LYS 91 Ca -0.28 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.87 1spu h LYS 91 Cb 1.10 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.01 1spu h LYS 91 CO 0.95 0.47 -0.72 1.03 -0.57 0.00 0.00 179.45 180.61 1spu s ARG 92 N -3.05 1.28 0.26 3.15 0.52 -1.26 -5.10 118.95 114.76 1spu s ARG 92 Ca 0.04 -1.74 -0.31 0.00 -0.52 0.00 0.00 55.73 53.20 1spu s ARG 92 Cb 0.08 -2.76 -0.11 0.00 0.52 0.00 0.00 34.95 32.68 1spu s ARG 92 CO 0.73 -1.00 1.61 -2.14 0.02 0.00 0.00 175.30 174.53 1spu s PRO 93 N 0.92 4.14 0.30 3.54 0.02 -1.26 -4.95 135.00 137.70 1spu s PRO 93 Ca 0.12 2.56 -0.29 0.00 0.02 0.00 0.00 61.00 63.40 1spu s PRO 93 Cb -0.20 -3.05 -0.10 0.00 0.02 0.00 0.00 34.50 31.17 1spu s PRO 93 CO -0.11 -0.65 1.42 -1.58 -0.33 0.00 0.00 177.00 175.75 1spu s HIS 94 N 0.35 2.93 -0.48 6.54 2.46 -1.26 -4.89 115.29 120.93 1spu s HIS 94 Ca 0.66 1.16 0.17 0.00 0.47 0.00 0.00 55.06 57.52 1spu s HIS 94 Cb -0.48 -3.83 0.86 0.00 -0.13 0.00 0.00 32.58 29.01 1spu s HIS 94 CO 0.43 -2.54 1.53 -0.35 -2.47 0.00 0.00 174.74 171.34 1spu n PRO 95 N 1.49 0.11 -0.11 2.88 -0.04 -1.26 -0.84 135.00 137.24 1spu n PRO 95 Ca 0.04 0.53 0.11 0.00 -0.04 0.00 0.00 63.50 64.14 1spu n PRO 95 Cb 0.40 -1.82 0.15 0.00 -0.04 0.00 0.00 33.50 32.20 1spu n PRO 95 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1spu n LEU 96 N -2.05 3.11 -4.63 1.53 4.77 -1.26 -4.56 117.00 113.91 1spu n LEU 96 Ca 0.00 -1.31 -0.44 0.00 -0.03 0.00 0.00 56.01 54.23 1spu n LEU 96 Cb 0.08 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1spu n LEU 96 CO 0.10 0.62 0.72 0.59 -1.33 0.00 0.00 177.39 178.09 1spu n ASN 97 N 1.29 1.86 -4.82 -1.43 5.03 -0.02 -4.90 115.26 112.27 1spu n ASN 97 Ca 0.16 1.18 -0.32 0.00 0.87 0.00 0.00 54.58 56.47 1spu n ASN 97 Cb 0.56 -1.35 0.02 0.00 -1.02 0.00 0.00 39.78 37.98 1spu n ASN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1spu s ALA 98 N -0.92 2.78 0.17 5.41 0.00 -1.26 -4.95 121.76 122.99 1spu s ALA 98 Ca 0.59 0.20 -0.33 0.00 0.00 0.00 0.00 51.96 52.43 1spu s ALA 98 Cb -0.67 -3.18 -0.15 0.00 0.00 0.00 0.00 23.12 19.12 1spu s ALA 98 CO 0.59 -0.91 1.28 1.28 0.00 0.00 0.00 175.76 178.00 1spu n LEU 99 N -2.50 2.06 -4.91 0.00 4.77 -1.26 -4.97 117.00 110.19 1spu n LEU 99 Ca 0.08 1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 56.90 1spu n LEU 99 Cb 0.53 -1.28 0.11 0.00 -2.33 0.00 0.00 43.42 40.45 1spu n LEU 99 CO 0.52 -0.98 0.81 0.42 -1.33 0.00 0.00 177.39 176.82 1spu s THR 100 N 0.03 2.00 0.22 -5.08 -4.23 -1.26 -4.81 115.64 102.51 1spu s THR 100 Ca 0.74 -0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 61.16 1spu s THR 100 Cb -0.80 -3.00 0.18 0.00 1.34 0.00 0.00 72.50 70.22 1spu s THR 100 CO 0.50 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 176.47 1spu h ALA 101 N -1.19 1.03 -0.61 3.99 0.00 -1.94 0.40 119.26 120.94 1spu h ALA 101 Ca -0.46 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 1spu h ALA 101 Cb 1.31 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1spu h ALA 101 CO 0.60 0.45 0.22 -0.44 0.00 0.00 0.00 179.25 180.07 1spu h ASP 102 N 1.10 0.87 0.21 0.00 3.32 -1.99 -0.26 116.42 119.68 1spu h ASP 102 Ca 0.30 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 1spu h ASP 102 Cb -0.12 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 1spu h ASP 102 CO -0.06 0.82 -0.46 -0.33 -1.72 0.00 0.00 179.24 177.50 1spu h GLU 103 N 0.86 0.30 -0.38 3.56 5.08 -1.65 0.40 114.58 122.75 1spu h GLU 103 Ca 0.20 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1spu h GLU 103 Cb 0.25 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1spu h GLU 103 CO -0.01 0.70 0.10 0.82 -1.00 0.00 0.00 179.01 179.62 1spu h ILE 104 N 0.24 1.22 -0.65 3.13 2.04 0.33 -1.10 117.51 122.72 1spu h ILE 104 Ca 0.02 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 1spu h ILE 104 Cb 0.90 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1spu h ILE 104 CO 0.07 0.25 0.25 0.11 0.00 0.00 0.00 178.15 178.84 1spu h LYS 105 N 0.46 0.97 -0.15 2.37 1.57 -0.79 -2.28 116.57 118.71 1spu h LYS 105 Ca 0.12 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1spu h LYS 105 Cb 0.28 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1spu h LYS 105 CO -0.00 0.82 -0.45 0.37 -0.57 0.00 0.00 179.45 179.61 1spu h GLN 106 N 0.91 0.38 -0.37 3.15 4.15 -0.81 -2.05 115.11 120.48 1spu h GLN 106 Ca 0.22 -0.20 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 1spu h GLN 106 Cb 0.21 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1spu h GLN 106 CO -0.02 0.76 0.02 0.00 -1.93 0.00 0.00 178.83 177.66 1spu h ALA 107 N 1.21 0.49 -0.79 3.38 0.00 -1.03 -1.22 119.26 121.30 1spu h ALA 107 Ca 0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1spu h ALA 107 Cb 0.92 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1spu h ALA 107 CO 0.08 0.24 0.32 0.28 0.00 0.00 0.00 179.25 180.16 1spu h VAL 108 N 0.46 1.26 0.66 0.00 2.07 -1.30 -2.04 116.25 117.36 1spu h VAL 108 Ca 0.11 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1spu h VAL 108 Cb 0.43 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1spu h VAL 108 CO 0.01 0.33 -0.32 -0.33 0.02 0.00 0.00 177.57 177.29 1spu h GLU 109 N 1.14 -0.85 -0.38 1.57 5.08 -1.19 -0.63 114.58 119.31 1spu h GLU 109 Ca 0.26 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.76 1spu h GLU 109 Cb 0.21 0.19 -0.09 0.00 0.50 0.00 0.00 28.75 29.57 1spu h GLU 109 CO -0.02 -0.54 -0.28 0.82 -1.00 0.00 0.00 179.01 177.98 1spu h ILE 110 N -0.96 0.29 0.00 3.13 2.04 -1.04 -0.46 117.51 120.50 1spu h ILE 110 Ca -0.09 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 1spu h ILE 110 Cb 0.70 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1spu h ILE 110 CO 0.15 0.00 -0.34 -0.37 0.00 0.00 0.00 178.15 177.59 1spu h VAL 111 N -0.22 1.14 0.00 1.67 -1.51 -1.33 -2.63 116.25 113.37 1spu h VAL 111 Ca 0.18 -1.21 -0.05 0.00 -1.23 0.00 0.00 66.70 64.39 1spu h VAL 111 Cb 0.51 1.67 -0.01 0.00 -2.13 0.00 0.00 31.29 31.33 1spu h VAL 111 CO -0.51 0.33 -0.23 0.11 -1.23 0.00 0.00 177.57 176.04 1spu h LYS 112 N 0.00 0.00 0.00 5.19 1.57 0.39 -2.82 116.57 120.90 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 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1spu h LYS 112 CO 0.04 0.23 0.00 0.00 -0.57 0.00 0.00 179.45 179.16 1spu n ALA 113 N -2.24 2.22 -1.80 3.86 0.00 -0.33 -4.79 120.51 117.43 1spu n ALA 113 Ca -0.00 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.00 1spu n ALA 113 Cb 0.42 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.97 6.88 0.17 0.00 0.15 -1.07 -4.91 113.70 111.95 1spu s SER 114 Ca 0.14 1.81 0.18 0.00 0.70 0.00 0.00 55.95 58.77 1spu s SER 114 Cb 0.17 -2.56 0.80 0.00 -1.71 0.00 0.00 66.02 62.72 1spu s SER 114 CO 0.48 -0.40 1.54 0.00 1.20 0.00 0.00 173.24 176.06 1spu n ALA 115 N -0.39 1.43 0.33 5.45 0.00 -1.26 -2.78 120.51 123.29 1spu n ALA 115 Ca 0.06 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1spu n ALA 115 Cb 0.52 -1.28 0.05 0.00 0.00 0.00 0.00 19.45 18.74 1spu n ALA 115 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1spu n ASP 116 N -1.96 0.72 -4.69 0.00 8.00 -1.26 -4.91 116.55 112.44 1spu n ASP 116 Ca 0.01 0.14 -0.42 0.00 0.71 0.00 0.00 54.79 55.23 1spu n ASP 116 Cb 0.14 0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 41.71 1spu n ASP 116 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1spu s PHE 117 N -3.28 2.30 -0.12 1.24 2.19 -1.12 -4.97 117.98 114.22 1spu s PHE 117 Ca 0.02 0.15 -0.07 0.00 0.33 0.00 0.00 56.93 57.36 1spu s PHE 117 Cb 0.12 -4.07 -0.04 0.00 -1.31 0.00 0.00 43.02 37.72 1spu s PHE 117 CO 0.78 -4.36 0.14 0.15 1.83 0.00 0.00 175.22 173.76 1spu s LYS 118 N 2.66 3.48 0.23 10.12 -0.14 -1.26 -5.03 119.74 129.80 1spu s LYS 118 Ca 0.77 -0.13 -0.32 0.00 -1.36 0.00 0.00 55.97 54.93 1spu s LYS 118 Cb -0.43 -3.20 -0.13 0.00 -1.68 0.00 0.00 37.83 32.39 1spu s LYS 118 CO 0.34 0.76 1.58 -2.30 -0.76 0.00 0.00 175.35 174.97 1spu n PRO 119 N 2.05 2.44 -0.88 -1.68 -0.02 -1.26 -1.71 135.00 133.94 1spu n PRO 119 Ca -0.20 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1spu n PRO 119 Cb 0.55 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 2.92 -2.57 -4.75 2.55 5.03 -1.26 -4.96 115.26 112.21 1spu n ASN 120 Ca 0.13 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.17 1spu n ASN 120 Cb 0.33 -0.43 -0.01 0.00 -1.02 0.00 0.00 39.78 38.65 1spu n ASN 120 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1spu n THR 121 N -2.86 1.18 -4.06 3.41 -1.04 -0.70 -4.69 114.28 105.54 1spu n THR 121 Ca 0.00 -0.30 -0.22 0.00 -2.04 0.00 0.00 64.05 61.50 1spu n THR 121 Cb 0.00 -1.98 -0.03 0.00 -1.82 0.00 0.00 70.33 66.50 1spu n THR 121 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1spu s ARG 122 N -0.77 3.13 -0.37 -2.82 0.52 0.55 -4.94 118.95 114.26 1spu s ARG 122 Ca 0.62 -0.93 -0.05 0.00 -0.52 0.00 0.00 55.73 54.85 1spu s ARG 122 Cb -0.49 -2.70 0.07 0.00 0.52 0.00 0.00 34.95 32.35 1spu s ARG 122 CO 0.51 0.42 0.15 -0.06 0.02 0.00 0.00 175.30 176.34 1spu s PHE 123 N -2.05 3.36 0.23 -0.53 0.40 0.11 -0.60 117.98 118.91 1spu s PHE 123 Ca 0.33 -1.79 0.05 0.00 -0.60 0.00 0.00 56.93 54.93 1spu s PHE 123 Cb -0.08 -2.68 0.23 0.00 0.51 0.00 0.00 43.02 40.99 1spu s PHE 123 CO 0.26 -0.84 1.54 1.79 0.70 0.00 0.00 175.22 178.68 1spu h THR 124 N 6.25 1.41 -1.97 0.64 1.35 -1.45 -3.35 112.91 115.79 1spu h THR 124 Ca -0.20 -2.10 -0.00 0.00 -0.55 0.00 0.00 66.41 63.55 1spu h THR 124 Cb 1.07 2.09 -0.21 0.00 -1.73 0.00 0.00 68.15 69.37 1spu h THR 124 CO 0.66 0.62 0.11 -0.70 -0.25 0.00 0.00 175.52 175.95 1spu s GLU 125 N -3.65 0.75 -0.26 4.72 2.12 -1.13 -4.95 118.70 116.29 1spu s GLU 125 Ca -0.03 1.07 -0.01 0.00 0.36 0.00 0.00 54.97 56.36 1spu s GLU 125 Cb 0.12 0.28 0.08 0.00 0.26 0.00 0.00 34.13 34.87 1spu s GLU 125 CO 0.80 -0.12 0.05 0.42 -0.54 0.00 0.00 175.26 175.87 1spu s ILE 126 N 0.94 0.93 0.13 -3.70 1.01 -1.26 0.06 121.20 119.31 1spu s ILE 126 Ca -0.04 -1.15 0.02 0.00 0.00 0.00 0.00 60.65 59.47 1spu s ILE 126 Cb -0.05 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 1spu s ILE 126 CO -0.09 -0.44 -0.03 -0.44 0.00 0.00 0.00 174.94 173.95 1spu s SER 127 N 1.63 1.11 0.29 3.58 0.01 0.05 -4.67 113.70 115.71 1spu s SER 127 Ca 0.04 -1.09 -0.29 0.00 1.31 0.00 0.00 55.95 55.91 1spu s SER 127 Cb -0.18 0.12 -0.10 0.00 0.21 0.00 0.00 66.02 66.07 1spu s SER 127 CO -0.16 -0.53 1.40 -0.22 0.41 0.00 0.00 173.24 174.14 1spu s LEU 128 N -3.10 4.39 -0.74 2.44 2.96 -1.26 0.97 118.68 124.34 1spu s LEU 128 Ca 0.18 2.73 -0.15 0.00 -0.22 0.00 0.00 54.13 56.67 1spu s LEU 128 Cb 0.06 -3.64 0.18 0.00 0.50 0.00 0.00 46.19 43.29 1spu s LEU 128 CO -0.01 -0.67 0.70 -0.22 -1.32 0.00 0.00 176.35 174.84 1spu s LEU 129 N -1.07 6.47 0.66 -0.68 2.96 -0.54 -4.71 118.68 121.77 1spu s LEU 129 Ca 0.55 -2.35 -0.15 0.00 -0.22 0.00 0.00 54.13 51.96 1spu s LEU 129 Cb -0.42 -2.22 -0.00 0.00 0.50 0.00 0.00 46.19 44.05 1spu s LEU 129 CO 0.49 -0.70 1.10 -2.16 -1.32 0.00 0.00 176.35 173.77 1spu s PRO 130 N 0.79 2.83 1.23 0.98 0.04 -1.26 -4.15 135.00 135.45 1spu s PRO 130 Ca 0.14 1.36 -0.21 0.00 0.04 0.00 0.00 61.00 62.33 1spu s PRO 130 Cb -0.16 -1.96 0.32 0.00 0.04 0.00 0.00 34.50 32.74 1spu s PRO 130 CO -0.05 -1.23 0.76 -2.30 0.04 0.00 0.00 177.00 174.23 1spu n PRO 131 N -2.44 -4.29 -2.20 0.56 -0.02 -1.26 -4.92 135.00 120.43 1spu n PRO 131 Ca 0.10 -1.27 -0.40 0.00 -2.02 0.00 0.00 63.50 59.90 1spu n PRO 131 Cb 0.52 -1.59 -0.02 0.00 -0.02 0.00 0.00 33.50 32.39 1spu n PRO 131 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1spu s ASP 132 N -3.07 6.85 0.30 2.55 2.15 -1.26 -4.86 116.67 119.33 1spu s ASP 132 Ca 0.57 2.57 0.05 0.00 0.43 0.00 0.00 52.55 56.18 1spu s ASP 132 Cb -0.10 -2.64 0.80 0.00 -0.30 0.00 0.00 42.92 40.68 1spu s ASP 132 CO 0.48 -0.47 1.67 0.50 -0.17 0.00 0.00 175.17 177.18 1spu h LYS 133 N 3.40 0.30 -0.25 4.34 3.64 -2.00 0.18 116.57 126.18 1spu h LYS 133 Ca -0.48 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 58.71 1spu h LYS 133 Cb 1.22 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1spu h LYS 133 CO 0.65 0.20 -0.52 1.49 -2.27 0.00 0.00 179.45 179.00 1spu h GLU 134 N 0.31 0.72 -0.32 1.90 4.81 -1.99 -1.01 114.58 119.01 1spu h GLU 134 Ca 0.59 -0.44 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 1spu h GLU 134 Cb 1.21 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1spu h GLU 134 CO -0.60 1.07 -0.27 0.00 -0.73 0.00 0.00 179.01 178.48 1spu h ALA 135 N 0.85 0.94 -0.12 2.92 0.00 -1.41 -0.23 119.26 122.21 1spu h ALA 135 Ca 0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1spu h ALA 135 Cb 1.09 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1spu h ALA 135 CO 0.11 0.61 -0.08 0.28 0.00 0.00 0.00 179.25 180.17 1spu h VAL 136 N 0.55 1.33 -0.81 0.00 2.07 -0.97 -1.54 116.25 116.89 1spu h VAL 136 Ca 0.07 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1spu h VAL 136 Cb 0.75 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 1spu h VAL 136 CO 0.06 0.34 0.51 -0.50 0.02 0.00 0.00 177.57 178.00 1spu h TRP 137 N -0.09 1.04 -0.47 1.57 -0.00 -1.10 -0.47 115.95 116.41 1spu h TRP 137 Ca 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 1spu h TRP 137 Cb 0.57 -0.35 -0.02 0.00 -0.00 0.00 0.00 29.16 29.36 1spu h TRP 137 CO 0.07 0.67 0.31 0.00 -0.00 0.00 0.00 178.44 179.49 1spu h ALA 138 N 1.28 1.65 0.16 1.49 0.00 -0.93 0.12 119.26 123.02 1spu h ALA 138 Ca 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1spu h ALA 138 Cb -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1spu h ALA 138 CO -0.06 0.32 -0.08 0.35 0.00 0.00 0.00 179.25 179.79 1spu h PHE 139 N 0.65 -0.20 -0.84 0.00 3.04 -0.26 0.14 116.94 119.46 1spu h PHE 139 Ca 0.17 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.12 1spu h PHE 139 Cb -0.06 0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.48 1spu h PHE 139 CO 0.00 0.22 0.55 0.00 -2.02 0.00 0.00 178.31 177.06 1spu h ALA 140 N -0.06 1.07 0.13 2.41 0.00 -0.82 -0.37 119.26 121.62 1spu h ALA 140 Ca -0.02 -0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.49 1spu h ALA 140 Cb 0.51 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1spu h ALA 140 CO 0.04 0.49 -1.74 -0.07 0.00 0.00 0.00 179.25 177.97 1spu h LEU 141 N 1.14 0.44 -0.56 0.00 3.38 -0.84 -3.41 115.31 115.46 1spu h LEU 141 Ca 0.31 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1spu h LEU 141 Cb -0.12 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1spu h LEU 141 CO -0.06 1.76 -0.21 -0.62 0.09 0.00 0.00 178.44 179.39 1spu n GLU 142 N -3.69 2.67 -2.13 1.13 1.02 0.39 -5.00 120.64 115.03 1spu n GLU 142 Ca -0.28 -0.43 -0.13 0.00 -0.02 0.00 0.00 57.16 56.30 1spu n GLU 142 Cb 0.99 -0.99 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 1spu n GLU 142 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1spu n ASN 143 N -0.48 -4.11 -4.66 1.62 3.02 -0.15 -4.96 115.26 105.55 1spu n ASN 143 Ca 0.03 0.03 -0.43 0.00 -0.03 0.00 0.00 54.58 54.18 1spu n ASN 143 Cb 0.16 -3.23 -0.02 0.00 -0.61 0.00 0.00 39.78 36.08 1spu n ASN 143 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1spu s LYS 144 N -4.44 4.23 0.47 3.52 2.20 -1.00 -4.93 119.74 119.79 1spu s LYS 144 Ca 0.00 1.31 -0.23 0.00 -0.36 0.00 0.00 55.97 56.68 1spu s LYS 144 Cb 0.00 -3.65 -0.07 0.00 -1.51 0.00 0.00 37.83 32.60 1spu s LYS 144 CO 0.00 -0.66 1.28 -1.25 -0.36 0.00 0.00 175.35 174.36 1spu s PRO 145 N 3.24 3.60 0.53 4.03 0.04 -1.26 -3.31 135.00 141.87 1spu s PRO 145 Ca 0.44 2.06 0.30 0.00 0.04 0.00 0.00 61.00 63.84 1spu s PRO 145 Cb -0.15 -2.46 1.49 0.00 0.04 0.00 0.00 34.50 33.42 1spu s PRO 145 CO 0.07 -0.77 2.07 -0.39 0.04 0.00 0.00 177.00 178.02 1spu h VAL 146 N 1.90 0.42 -6.55 -0.36 -1.51 -1.95 -3.46 116.25 104.74 1spu h VAL 146 Ca -0.50 -0.54 -0.51 0.00 -1.23 0.00 0.00 66.70 63.92 1spu h VAL 146 Cb 1.27 1.38 -0.04 0.00 -2.13 0.00 0.00 31.29 31.76 1spu h VAL 146 CO 0.60 0.10 -0.92 -0.67 -1.23 0.00 0.00 177.57 175.45 1spu n ASP 147 N -3.47 -1.43 -3.99 4.19 2.03 -1.26 -4.96 116.55 107.66 1spu n ASP 147 Ca -0.01 -1.06 -0.08 0.00 0.52 0.00 0.00 54.79 54.15 1spu n ASP 147 Cb 0.25 -2.84 -0.10 0.00 -0.72 0.00 0.00 41.12 37.71 1spu n ASP 147 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1spu s GLN 148 N -6.61 0.55 0.09 -0.67 -0.21 -1.26 -5.15 119.66 106.40 1spu s GLN 148 Ca 0.13 -0.90 -0.22 0.00 0.02 0.00 0.00 55.36 54.39 1spu s GLN 148 Cb -0.06 0.20 -0.07 0.00 1.00 0.00 0.00 33.01 34.09 1spu s GLN 148 CO 0.90 -0.12 0.66 -1.25 -2.12 0.00 0.00 175.29 173.37 1spu s PRO 149 N -2.91 4.37 0.31 2.91 0.04 -1.26 -5.01 135.00 133.46 1spu s PRO 149 Ca -0.02 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 61.64 1spu s PRO 149 Cb 0.01 -3.28 -0.11 0.00 0.04 0.00 0.00 34.50 31.16 1spu s PRO 149 CO -0.06 0.53 1.47 1.03 0.04 0.00 0.00 177.00 180.01 1spu s ARG 150 N -0.83 4.19 0.07 4.56 1.81 -1.26 -4.89 118.95 122.60 1spu s ARG 150 Ca 0.33 2.45 0.07 0.00 -1.72 0.00 0.00 55.73 56.85 1spu s ARG 150 Cb -0.21 -3.04 -0.03 0.00 -0.45 0.00 0.00 34.95 31.23 1spu s ARG 150 CO 0.22 -0.47 -0.18 0.15 -0.68 0.00 0.00 175.30 174.34 1spu s LYS 151 N -1.17 1.04 0.07 3.54 1.02 -1.26 -0.98 119.74 122.00 1spu s LYS 151 Ca 0.57 -0.99 0.06 0.00 0.02 0.00 0.00 55.97 55.62 1spu s LYS 151 Cb -0.45 -1.16 -0.03 0.00 -0.52 0.00 0.00 37.83 35.68 1spu s LYS 151 CO 0.52 0.28 -0.15 0.00 -0.92 0.00 0.00 175.35 175.07 1spu s ALA 152 N -1.07 1.28 -0.21 5.17 0.00 -0.14 -1.47 121.76 125.31 1spu s ALA 152 Ca 0.03 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 1spu s ALA 152 Cb -0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1spu s ALA 152 CO 0.03 0.21 0.16 -0.51 0.00 0.00 0.00 175.76 175.64 1spu s ASP 153 N -1.69 6.19 -0.23 0.00 1.01 0.27 -1.30 116.67 120.93 1spu s ASP 153 Ca -0.00 0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.46 1spu s ASP 153 Cb -0.10 -2.11 0.06 0.00 1.01 0.00 0.00 42.92 41.79 1spu s ASP 153 CO 0.02 0.12 -0.04 -0.69 0.21 0.00 0.00 175.17 174.80 1spu s VAL 154 N 0.69 1.35 -0.23 -1.27 1.01 0.40 -0.77 120.40 121.59 1spu s VAL 154 Ca 0.09 -1.10 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 1spu s VAL 154 Cb -0.12 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1spu s VAL 154 CO 0.01 -0.12 0.09 -0.63 0.00 0.00 0.00 175.10 174.46 1spu s ILE 155 N 1.48 4.69 0.15 2.22 1.01 0.11 -0.48 121.20 130.37 1spu s ILE 155 Ca -0.05 -0.05 0.11 0.00 0.00 0.00 0.00 60.65 60.65 1spu s ILE 155 Cb -0.19 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1spu s ILE 155 CO -0.06 0.37 -0.24 0.00 0.00 0.00 0.00 174.94 175.00 1spu s MET 156 N 1.15 1.51 -0.33 2.79 0.23 0.66 -1.24 119.30 124.08 1spu s MET 156 Ca 0.05 -1.37 -0.01 0.00 -1.03 0.00 0.00 55.69 53.33 1spu s MET 156 Cb -0.14 -1.93 0.07 0.00 -1.53 0.00 0.00 34.83 31.30 1spu s MET 156 CO 0.04 0.44 0.05 -1.17 -2.03 0.00 0.00 175.02 172.35 1spu s LEU 157 N -2.26 4.31 -0.99 0.18 2.96 0.23 -0.75 118.68 122.36 1spu s LEU 157 Ca 0.17 -1.56 -0.13 0.00 -0.22 0.00 0.00 54.13 52.39 1spu s LEU 157 Cb -0.09 -1.73 0.22 0.00 0.50 0.00 0.00 46.19 45.09 1spu s LEU 157 CO 0.08 -0.34 1.03 -0.62 -1.32 0.00 0.00 176.35 175.18 1spu s ASP 158 N 1.36 6.97 0.02 3.68 2.15 0.20 -0.33 116.67 130.72 1spu s ASP 158 Ca -0.00 -2.93 0.00 0.00 0.43 0.00 0.00 52.55 50.05 1spu s ASP 158 Cb -0.20 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1spu s ASP 158 CO -0.03 -0.58 0.00 0.61 -0.17 0.00 0.00 175.17 175.00 1spu n GLY 159 N 3.82 1.90 0.00 2.66 0.00 -1.26 -1.84 105.19 110.46 1spu n GLY 159 Ca 0.22 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 0.42 -3.21 1.61 2.85 -1.26 -5.03 118.16 113.53 1spu n LYS 160 Ca 0.00 -0.26 -0.39 0.00 -1.05 0.00 0.00 58.31 56.62 1spu n LYS 160 Cb 0.00 -0.72 -0.05 0.00 -0.65 0.00 0.00 35.03 33.60 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 -0.13 3.58 -0.15 5.58 3.76 -0.77 -4.45 115.29 122.71 1spu s HIS 161 Ca 0.00 1.07 -0.10 0.00 -0.15 0.00 0.00 55.06 55.88 1spu s HIS 161 Cb 0.00 -2.64 -0.05 0.00 1.11 0.00 0.00 32.58 31.01 1spu s HIS 161 CO 0.00 0.19 0.20 0.42 -0.85 0.00 0.00 174.74 174.70 1spu s ILE 162 N 0.46 5.38 -0.03 0.60 -1.09 -1.26 0.61 121.20 125.88 1spu s ILE 162 Ca 0.31 0.34 0.02 0.00 -2.23 0.00 0.00 60.65 59.08 1spu s ILE 162 Cb -0.17 -3.51 0.01 0.00 -1.58 0.00 0.00 42.46 37.22 1spu s ILE 162 CO 0.14 0.49 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.66 1spu s ILE 163 N -0.13 0.54 -0.20 2.92 1.01 0.07 0.68 121.20 126.08 1spu s ILE 163 Ca 0.13 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 1spu s ILE 163 Cb -0.12 -0.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.80 1spu s ILE 163 CO 0.02 0.20 -0.01 -1.61 0.00 0.00 0.00 174.94 173.54 1spu s GLU 164 N 0.49 3.56 0.20 2.79 2.02 0.11 -0.24 118.70 127.63 1spu s GLU 164 Ca -0.06 -0.55 0.09 0.00 0.02 0.00 0.00 54.97 54.47 1spu s GLU 164 Cb -0.10 -3.05 -0.05 0.00 0.10 0.00 0.00 34.13 31.03 1spu s GLU 164 CO 0.00 -0.02 -0.18 0.00 0.02 0.00 0.00 175.26 175.08 1spu s ALA 165 N 1.07 2.22 -0.07 5.21 0.00 0.37 0.32 121.76 130.88 1spu s ALA 165 Ca 0.02 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 50.37 1spu s ALA 165 Cb -0.14 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1spu s ALA 165 CO 0.01 0.22 -0.17 0.08 0.00 0.00 0.00 175.76 175.90 1spu s VAL 166 N -2.37 1.47 0.17 0.00 1.01 -0.35 -0.45 120.40 119.89 1spu s VAL 166 Ca 0.21 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.60 1spu s VAL 166 Cb -0.04 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1spu s VAL 166 CO 0.09 0.43 -0.21 0.68 0.00 0.00 0.00 175.10 176.08 1spu s VAL 167 N 0.42 2.06 -0.36 2.92 -7.23 -0.42 0.15 120.40 117.95 1spu s VAL 167 Ca -0.13 -1.93 -0.05 0.00 -1.81 0.00 0.00 61.98 58.05 1spu s VAL 167 Cb -0.15 -1.95 0.07 0.00 0.56 0.00 0.00 36.38 34.90 1spu s VAL 167 CO 0.05 -0.19 0.14 -0.62 -0.31 0.00 0.00 175.10 174.16 1spu s ASP 168 N -2.59 5.25 0.31 4.85 -1.08 0.19 -0.97 116.67 122.63 1spu s ASP 168 Ca 0.17 -1.49 0.04 0.00 -0.52 0.00 0.00 52.55 50.75 1spu s ASP 168 Cb -0.07 -1.84 0.50 0.00 -1.46 0.00 0.00 42.92 40.04 1spu s ASP 168 CO 0.08 -0.41 1.77 -0.07 0.52 0.00 0.00 175.17 177.06 1spu h LEU 169 N 8.15 0.43 0.50 -1.34 3.38 -1.34 0.26 115.31 125.36 1spu h LEU 169 Ca -0.20 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1spu h LEU 169 Cb 1.07 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1spu h LEU 169 CO 0.64 0.65 -0.24 -0.61 0.09 0.00 0.00 178.44 178.97 1spu h GLN 170 N 0.40 -0.65 0.00 1.13 4.15 -1.93 -3.21 115.11 115.00 1spu h GLN 170 Ca 0.07 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1spu h GLN 170 Cb 0.58 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1spu h GLN 170 CO 0.04 -0.44 0.00 0.09 -1.93 0.00 0.00 178.83 176.59 1spu n ASN 171 N -4.53 0.00 -4.13 -0.69 3.02 -1.25 -4.91 115.26 102.76 1spu n ASN 171 Ca -0.08 0.04 -0.44 0.00 -0.03 0.00 0.00 54.58 54.06 1spu n ASN 171 Cb 0.27 -0.30 -0.00 0.00 -0.61 0.00 0.00 39.78 39.13 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 -1.30 -3.12 -4.11 6.41 5.15 0.29 -4.94 115.26 113.64 1spu n ASN 172 Ca 0.09 -1.30 -0.16 0.00 -0.60 0.00 0.00 54.58 52.61 1spu n ASN 172 Cb 0.17 -1.63 -0.12 0.00 -0.53 0.00 0.00 39.78 37.67 1spu n ASN 172 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1spu s LYS 173 N -7.46 0.67 -0.14 1.20 -2.85 0.64 -4.96 119.74 106.84 1spu s LYS 173 Ca 0.40 -0.81 -0.29 0.00 -1.00 0.00 0.00 55.97 54.27 1spu s LYS 173 Cb -0.22 -0.55 -0.03 0.00 -2.06 0.00 0.00 37.83 34.97 1spu s LYS 173 CO 0.98 0.12 1.41 -1.17 0.10 0.00 0.00 175.35 176.79 1spu s LEU 174 N -1.54 4.19 -0.12 2.77 2.96 -1.26 0.54 118.68 126.21 1spu s LEU 174 Ca -0.05 1.83 0.00 0.00 -0.22 0.00 0.00 54.13 55.68 1spu s LEU 174 Cb -0.09 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.82 1spu s LEU 174 CO 0.01 -0.87 0.36 0.18 -1.32 0.00 0.00 176.35 174.72 1spu n LEU 175 N 6.96 2.09 -3.46 -0.68 4.77 0.41 -4.92 117.00 122.17 1spu n LEU 175 Ca 0.15 0.21 -0.13 0.00 -0.03 0.00 0.00 56.01 56.22 1spu n LEU 175 Cb 0.44 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1spu n LEU 175 CO 0.59 0.73 0.47 -0.94 -1.33 0.00 0.00 177.39 176.91 1spu s SER 176 N -6.66 -0.55 -0.13 -1.43 1.04 -0.82 -4.93 113.70 100.21 1spu s SER 176 Ca -0.19 0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.36 1spu s SER 176 Cb 0.07 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.79 1spu s SER 176 CO 0.77 -0.82 0.11 0.86 0.98 0.00 0.00 173.24 175.14 1spu s TRP 177 N -3.04 0.04 -0.24 5.02 -0.11 -1.26 -1.21 118.94 118.14 1spu s TRP 177 Ca -0.01 0.02 -0.04 0.00 1.22 0.00 0.00 56.10 57.29 1spu s TRP 177 Cb -0.01 -0.54 0.09 0.00 -1.50 0.00 0.00 33.47 31.52 1spu s TRP 177 CO -0.07 -0.42 0.14 -1.14 -4.62 0.00 0.00 176.95 170.84 1spu s GLN 178 N 2.20 0.16 0.37 5.86 2.00 0.15 -4.98 119.66 125.42 1spu s GLN 178 Ca 0.04 -0.28 -0.28 0.00 -2.00 0.00 0.00 55.36 52.84 1spu s GLN 178 Cb -0.15 -1.33 -0.10 0.00 0.80 0.00 0.00 33.01 32.24 1spu s GLN 178 CO -0.08 -0.88 1.42 -1.25 -0.50 0.00 0.00 175.29 174.00 1spu s PRO 179 N 2.16 4.14 -0.39 1.67 0.04 -1.26 0.04 135.00 141.39 1spu s PRO 179 Ca 0.07 2.43 -0.08 0.00 0.04 0.00 0.00 61.00 63.45 1spu s PRO 179 Cb -0.16 -2.96 0.07 0.00 0.04 0.00 0.00 34.50 31.49 1spu s PRO 179 CO -0.25 -0.45 0.21 0.42 0.04 0.00 0.00 177.00 176.97 1spu s ILE 180 N -1.14 4.06 0.28 0.56 -1.09 0.21 -4.86 121.20 119.22 1spu s ILE 180 Ca 0.53 -1.35 -0.30 0.00 -2.23 0.00 0.00 60.65 57.29 1spu s ILE 180 Cb -0.44 -3.45 -0.12 0.00 -1.58 0.00 0.00 42.46 36.87 1spu s ILE 180 CO 0.59 -0.42 1.54 1.17 -1.23 0.00 0.00 174.94 176.58 1spu n LYS 181 N 4.87 2.49 -0.36 2.79 4.81 -1.26 -3.20 118.16 128.31 1spu n LYS 181 Ca -0.10 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 1spu n LYS 181 Cb 0.43 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.85 1spu n LYS 181 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1spu n ASP 182 N 2.16 0.00 -4.72 3.14 8.00 -1.26 -4.99 116.55 118.88 1spu n ASP 182 Ca 0.09 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.18 1spu n ASP 182 Cb 0.35 -1.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.08 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 -1.86 3.30 -0.00 2.24 0.00 -1.19 -5.05 121.76 119.19 1spu s ALA 183 Ca 0.00 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 52.62 1spu s ALA 183 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1spu s ALA 183 CO 0.00 -0.26 0.23 -1.01 0.00 0.00 0.00 175.76 174.73 1spu s HIS 184 N 0.55 3.57 0.49 0.00 3.76 -1.26 -4.36 115.29 118.05 1spu s HIS 184 Ca 0.53 0.50 -0.02 0.00 -0.15 0.00 0.00 55.06 55.92 1spu s HIS 184 Cb -0.26 -1.93 -0.00 0.00 1.11 0.00 0.00 32.58 31.49 1spu s HIS 184 CO 0.30 0.63 0.74 0.20 -0.85 0.00 0.00 174.74 175.77 1spu s GLY 185 N -1.74 1.57 0.99 -2.22 0.00 -1.26 -4.54 107.32 100.12 1spu s GLY 185 Ca 0.27 -0.92 -0.12 0.00 0.00 0.00 0.00 44.72 43.94 1spu s GLY 185 CO 0.16 -0.72 1.09 -3.16 0.00 0.00 0.00 173.10 170.47 1spu s MET 186 N -4.69 0.52 -0.00 2.90 0.23 -1.26 -4.87 119.30 112.13 1spu s MET 186 Ca 0.50 0.61 -0.30 0.00 -1.03 0.00 0.00 55.69 55.46 1spu s MET 186 Cb -0.10 -1.74 -0.04 0.00 -1.53 0.00 0.00 34.83 31.41 1spu s MET 186 CO 0.40 -2.69 1.21 0.08 -2.03 0.00 0.00 175.02 171.99 1spu s VAL 187 N -2.93 4.14 0.21 5.16 1.01 -0.54 -5.03 120.40 122.42 1spu s VAL 187 Ca 0.65 1.51 0.05 0.00 0.00 0.00 0.00 61.98 64.19 1spu s VAL 187 Cb -0.19 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1spu s VAL 187 CO 0.58 0.05 0.30 -0.76 0.00 0.00 0.00 175.10 175.26 1spu s LEU 188 N 1.74 4.21 0.28 3.92 1.43 -1.26 -4.69 118.68 124.30 1spu s LEU 188 Ca 0.58 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.72 1spu s LEU 188 Cb -0.27 -2.76 0.59 0.00 0.03 0.00 0.00 46.19 43.78 1spu s LEU 188 CO 0.25 -0.02 1.78 0.25 0.23 0.00 0.00 176.35 178.84 1spu h LEU 189 N 1.57 0.67 -1.74 1.79 5.85 -1.96 0.12 115.31 121.60 1spu h LEU 189 Ca -0.50 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 1spu h LEU 189 Cb 1.22 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1spu h LEU 189 CO 0.63 0.28 -0.14 -2.24 -0.34 0.00 0.00 178.44 176.63 1spu h ASP 190 N 0.73 0.00 -0.82 1.25 2.03 -2.01 -2.06 116.42 115.54 1spu h ASP 190 Ca 0.50 0.00 0.18 0.00 -0.73 0.00 0.00 57.03 56.98 1spu h ASP 190 Cb 0.69 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.13 1spu h ASP 190 CO -0.35 0.14 0.55 0.44 -1.03 0.00 0.00 179.24 179.00 1spu h ASP 191 N 0.00 0.35 -0.11 4.15 3.32 -1.15 -1.78 116.42 121.21 1spu h ASP 191 Ca -0.00 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1spu h ASP 191 Cb 0.26 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1spu h ASP 191 CO 0.02 0.16 0.06 -0.26 -1.72 0.00 0.00 179.24 177.49 1spu h PHE 192 N 0.36 0.15 -0.17 4.55 -1.00 -1.43 -2.10 116.94 117.31 1spu h PHE 192 Ca 0.42 -0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.98 1spu h PHE 192 Cb 1.07 -0.05 0.01 0.00 3.61 0.00 0.00 35.95 40.59 1spu h PHE 192 CO -0.00 0.18 -0.72 0.00 -1.61 0.00 0.00 178.31 176.15 1spu h ALA 193 N 0.96 0.40 -0.88 2.45 0.00 -1.50 -2.91 119.26 117.78 1spu h ALA 193 Ca 0.04 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 54.39 1spu h ALA 193 Cb 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1spu h ALA 193 CO -0.01 0.70 0.58 0.77 0.00 0.00 0.00 179.25 181.29 1spu h SER 194 N 0.52 0.96 -0.00 0.00 0.02 -1.30 0.39 113.55 114.13 1spu h SER 194 Ca -0.04 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1spu h SER 194 Cb 1.34 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 1spu h SER 194 CO 0.15 0.67 0.00 0.58 -1.14 0.00 0.00 176.83 177.09 1spu h VAL 195 N 1.12 1.05 -0.56 2.27 2.07 -1.32 0.31 116.25 121.19 1spu h VAL 195 Ca 0.34 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.68 1spu h VAL 195 Cb -0.01 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1spu h VAL 195 CO -0.10 0.04 0.24 -0.61 0.02 0.00 0.00 177.57 177.17 1spu h GLN 196 N -0.06 0.82 0.49 1.57 5.75 -1.22 -0.67 115.11 121.79 1spu h GLN 196 Ca 0.00 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.34 1spu h GLN 196 Cb 0.06 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.48 1spu h GLN 196 CO -0.00 0.69 -0.24 -0.91 -2.65 0.00 0.00 178.83 175.73 1spu h ASN 197 N 0.76 -0.56 -0.94 -0.69 -0.26 -0.83 -0.06 115.58 113.00 1spu h ASN 197 Ca 0.19 -0.01 0.08 0.00 -0.56 0.00 0.00 56.30 56.00 1spu h ASN 197 Cb 0.16 0.15 -0.07 0.00 -1.06 0.00 0.00 38.32 37.50 1spu h ASN 197 CO -0.02 -0.35 0.61 0.40 -1.06 0.00 0.00 177.43 177.01 1spu h ILE 198 N -0.73 1.02 -0.10 2.81 2.04 -0.31 -1.33 117.51 120.90 1spu h ILE 198 Ca -0.07 -0.35 -0.14 0.00 1.00 0.00 0.00 64.86 65.30 1spu h ILE 198 Cb 0.54 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1spu h ILE 198 CO 0.11 0.18 -0.57 0.40 0.00 0.00 0.00 178.15 178.28 1spu h ILE 199 N 1.01 1.36 -0.52 -0.67 5.03 -0.85 -2.99 117.51 119.88 1spu h ILE 199 Ca 0.42 -1.89 -0.08 0.00 -0.12 0.00 0.00 64.86 63.20 1spu h ILE 199 Cb 0.30 1.92 -0.02 0.00 -3.03 0.00 0.00 36.82 35.99 1spu h ILE 199 CO -0.18 0.56 0.01 0.78 -0.68 0.00 0.00 178.15 178.65 1spu h ASN 200 N 0.23 0.84 0.80 1.72 -0.26 0.05 -2.95 115.58 116.02 1spu h ASN 200 Ca -0.00 -0.21 0.00 0.00 -0.56 0.00 0.00 56.30 55.53 1spu h ASN 200 Cb 1.07 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 38.11 1spu h ASN 200 CO 0.09 0.90 -0.15 0.59 -1.06 0.00 0.00 177.43 177.79 1spu n ASN 201 N -4.21 0.17 -4.58 5.81 5.03 -0.65 -4.82 115.26 112.01 1spu n ASN 201 Ca 0.03 0.20 -0.42 0.00 0.87 0.00 0.00 54.58 55.25 1spu n ASN 201 Cb 0.31 -0.25 -0.05 0.00 -1.02 0.00 0.00 39.78 38.77 1spu n ASN 201 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1spu s SER 202 N -2.96 6.55 0.19 6.41 0.15 -1.11 -4.92 113.70 118.00 1spu s SER 202 Ca 0.14 0.32 -0.07 0.00 0.70 0.00 0.00 55.95 57.04 1spu s SER 202 Cb 0.19 -2.40 0.09 0.00 -1.71 0.00 0.00 66.02 62.18 1spu s SER 202 CO 0.57 -0.78 1.58 -0.33 1.20 0.00 0.00 173.24 175.49 1spu h GLU 203 N 8.56 0.88 -0.26 5.44 5.08 -1.87 -0.78 114.58 131.62 1spu h GLU 203 Ca -0.25 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 57.73 1spu h GLU 203 Cb 1.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1spu h GLU 203 CO 0.93 1.02 0.13 0.93 -1.00 0.00 0.00 179.01 181.02 1spu h GLU 204 N 0.75 0.37 0.02 2.33 5.08 -1.96 -0.22 114.58 120.96 1spu h GLU 204 Ca 0.10 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1spu h GLU 204 Cb 0.79 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1spu h GLU 204 CO 0.07 0.36 -0.13 0.35 -1.00 0.00 0.00 179.01 178.65 1spu h PHE 205 N 0.29 -0.35 -0.53 4.33 3.57 -1.86 -0.71 116.94 121.69 1spu h PHE 205 Ca 0.09 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.71 1spu h PHE 205 Cb 0.11 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1spu h PHE 205 CO -0.02 -0.20 0.36 0.00 -2.23 0.00 0.00 178.31 176.22 1spu h ALA 206 N 0.69 2.19 0.08 2.41 0.00 -0.91 -1.23 119.26 122.49 1spu h ALA 206 Ca 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1spu h ALA 206 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1spu h ALA 206 CO -0.11 -0.32 -0.04 0.00 0.00 0.00 0.00 179.25 178.78 1spu h ALA 207 N 1.74 -0.10 -0.70 0.00 0.00 -0.16 -2.04 119.26 117.99 1spu h ALA 207 Ca 0.25 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1spu h ALA 207 Cb 0.67 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1spu h ALA 207 CO -0.05 -0.34 0.36 0.00 0.00 0.00 0.00 179.25 179.22 1spu h ALA 208 N 0.33 0.97 -0.26 0.00 0.00 -0.30 -1.65 119.26 118.36 1spu h ALA 208 Ca -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1spu h ALA 208 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1spu h ALA 208 CO 0.02 -0.02 0.16 0.28 0.00 0.00 0.00 179.25 179.69 1spu h VAL 209 N 0.63 1.10 -0.65 0.00 2.07 -1.27 -2.69 116.25 115.44 1spu h VAL 209 Ca 0.34 -0.23 0.11 0.00 0.82 0.00 0.00 66.70 67.74 1spu h VAL 209 Cb 0.32 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 1spu h VAL 209 CO -0.25 0.09 0.24 0.50 0.02 0.00 0.00 177.57 178.17 1spu h LYS 210 N 0.33 0.39 -0.40 1.57 1.63 -0.56 -1.73 116.57 117.80 1spu h LYS 210 Ca 0.09 -0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.93 1spu h LYS 210 Cb 0.01 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 31.50 1spu h LYS 210 CO -0.02 0.26 0.08 0.87 -3.45 0.00 0.00 179.45 177.19 1spu h LYS 211 N 0.40 0.20 0.00 1.90 1.79 -1.06 -2.74 116.57 117.06 1spu h LYS 211 Ca 0.34 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1spu h LYS 211 Cb 0.46 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1spu h LYS 211 CO -0.35 0.13 0.00 0.54 -1.08 0.00 0.00 179.45 178.70 1spu n ARG 212 N -5.10 0.25 -0.52 3.15 1.74 -0.67 -4.82 116.66 110.70 1spu n ARG 212 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1spu n ARG 212 Cb 0.18 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 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 -0.45 0.74 3.62 -0.13 0.00 -1.03 -4.57 105.19 103.37 1spu n GLY 213 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.06 4.82 -0.03 -0.61 1.01 -1.10 -4.95 121.20 118.29 1spu s ILE 214 Ca 0.00 1.19 -0.19 0.00 0.00 0.00 0.00 60.65 61.65 1spu s ILE 214 Cb 0.00 -4.12 -0.12 0.00 0.01 0.00 0.00 42.46 38.24 1spu s ILE 214 CO 0.00 -0.20 0.79 0.74 0.00 0.00 0.00 174.94 176.27 1spu h THR 215 N 5.56 0.27 -3.65 2.92 2.02 -1.89 -3.36 112.91 114.78 1spu h THR 215 Ca -0.25 -0.70 -0.69 0.00 0.77 0.00 0.00 66.41 65.55 1spu h THR 215 Cb 1.10 0.44 -0.32 0.00 -1.74 0.00 0.00 68.15 67.63 1spu h THR 215 CO 0.87 0.06 -0.62 -0.62 0.37 0.00 0.00 175.52 175.58 1spu s ASP 216 N -5.03 5.14 0.00 4.18 -1.08 -1.26 -4.95 116.67 113.67 1spu s ASP 216 Ca -0.10 -1.46 0.16 0.00 -0.52 0.00 0.00 52.55 50.63 1spu s ASP 216 Cb 0.01 -1.80 0.87 0.00 -1.46 0.00 0.00 42.92 40.55 1spu s ASP 216 CO 0.34 -0.37 1.40 0.00 0.52 0.00 0.00 175.17 177.06 1spu n ALA 217 N 4.68 1.99 0.14 3.66 0.00 -1.26 -2.37 120.51 127.35 1spu n ALA 217 Ca -0.10 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.35 1spu n ALA 217 Cb 0.43 -1.26 0.05 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.01 0.00 1.57 -1.99 -3.30 116.57 112.84 1spu h LYS 218 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1spu h LYS 218 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1spu h LYS 218 CO 0.00 0.06 -0.08 1.63 -0.57 0.00 0.00 179.45 180.49 1spu n LYS 219 N -2.89 0.91 -2.75 3.15 5.02 -1.00 -4.89 118.16 115.71 1spu n LYS 219 Ca 0.01 -0.34 -0.42 0.00 -2.02 0.00 0.00 58.31 55.53 1spu n LYS 219 Cb 0.58 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.07 1spu n LYS 219 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1spu s VAL 220 N -2.32 4.76 -0.28 -0.18 1.01 -1.25 0.55 120.40 122.69 1spu s VAL 220 Ca 0.33 1.86 -0.10 0.00 0.00 0.00 0.00 61.98 64.08 1spu s VAL 220 Cb 0.20 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1spu s VAL 220 CO 0.44 -0.10 0.14 -0.63 0.00 0.00 0.00 175.10 174.96 1spu s ILE 221 N 2.78 4.78 0.50 2.22 -1.09 0.26 -4.95 121.20 125.69 1spu s ILE 221 Ca 0.42 -0.15 0.02 0.00 -2.23 0.00 0.00 60.65 58.71 1spu s ILE 221 Cb -0.16 -3.33 0.02 0.00 -1.58 0.00 0.00 42.46 37.42 1spu s ILE 221 CO 0.09 0.20 0.71 0.42 -1.23 0.00 0.00 174.94 175.14 1spu s THR 222 N 1.67 3.13 -0.02 2.92 -4.23 -1.26 0.08 115.64 117.93 1spu s THR 222 Ca 0.06 -0.66 -0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1spu s THR 222 Cb -0.16 -3.15 0.03 0.00 1.34 0.00 0.00 72.50 70.55 1spu s THR 222 CO 0.07 -0.10 0.04 0.42 -0.54 0.00 0.00 174.62 174.51 1spu s THR 223 N -2.64 -0.05 -0.52 3.99 -4.23 0.09 -4.95 115.64 107.33 1spu s THR 223 Ca 0.54 0.18 -0.19 0.00 -1.18 0.00 0.00 61.69 61.04 1spu s THR 223 Cb -0.10 -0.09 0.06 0.00 1.34 0.00 0.00 72.50 73.71 1spu s THR 223 CO 0.37 0.07 0.65 -2.16 -0.54 0.00 0.00 174.62 173.02 1spu s PRO 224 N 0.92 3.12 -0.10 3.99 0.04 -1.26 -2.62 135.00 139.08 1spu s PRO 224 Ca -0.08 -0.94 -0.03 0.00 0.04 0.00 0.00 61.00 60.00 1spu s PRO 224 Cb -0.11 -4.12 -0.03 0.00 0.04 0.00 0.00 34.50 30.28 1spu s PRO 224 CO -0.03 -1.28 0.01 -0.51 0.04 0.00 0.00 177.00 175.23 1spu s LEU 225 N 2.68 3.59 0.56 -3.56 1.43 0.13 -4.91 118.68 118.60 1spu s LEU 225 Ca 0.15 0.12 -0.21 0.00 -1.03 0.00 0.00 54.13 53.16 1spu s LEU 225 Cb -0.20 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1spu s LEU 225 CO 0.11 0.34 1.31 0.42 0.23 0.00 0.00 176.35 178.77 1spu s THR 226 N -0.64 2.23 -0.99 5.49 -4.23 -1.26 0.11 115.64 116.35 1spu s THR 226 Ca 0.10 0.16 0.19 0.00 -1.18 0.00 0.00 61.69 60.97 1spu s THR 226 Cb -0.12 -3.08 -0.19 0.00 1.34 0.00 0.00 72.50 70.45 1spu s THR 226 CO 0.02 -0.01 0.83 1.33 -0.54 0.00 0.00 174.62 176.25 1spu n VAL 227 N -1.15 0.00 -4.64 2.29 0.24 -1.26 -4.63 118.33 109.18 1spu n VAL 227 Ca 0.11 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1spu n VAL 227 Cb 0.46 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 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 1.44 0.78 3.00 7.63 0.00 -1.26 -4.82 105.19 111.96 1spu n GLY 228 Ca 0.04 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.62 -0.44 1.61 5.04 -1.26 -4.35 117.35 117.34 1spu s TYR 229 Ca 0.00 0.94 0.15 0.00 -2.44 0.00 0.00 57.07 55.72 1spu s TYR 229 Cb 0.00 0.01 0.50 0.00 0.35 0.00 0.00 41.96 42.82 1spu s TYR 229 CO 0.00 -0.54 1.41 1.19 -1.34 0.00 0.00 175.55 176.27 1spu n PHE 230 N 5.36 0.91 -1.71 4.97 3.01 -1.26 -4.79 117.46 123.95 1spu n PHE 230 Ca -0.06 -0.75 -0.12 0.00 1.01 0.00 0.00 57.45 57.53 1spu n PHE 230 Cb 0.50 -0.25 -0.03 0.00 -0.01 0.00 0.00 39.48 39.69 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 -0.08 -4.17 0.00 4.37 2.03 -1.26 -2.36 116.55 115.08 1spu n ASP 231 Ca 0.19 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1spu n ASP 231 Cb 0.79 -2.99 0.00 0.00 -0.72 0.00 0.00 41.12 38.19 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 -1.31 0.73 0.11 0.27 0.00 -1.26 -4.92 105.19 98.80 1spu n GLY 232 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1spu n GLY 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1spu n LYS 233 N -2.05 0.21 0.00 1.61 4.76 -1.00 -1.97 118.16 119.72 1spu n LYS 233 Ca 0.00 0.30 0.14 0.00 -2.87 0.00 0.00 58.31 55.88 1spu n LYS 233 Cb 0.00 -1.81 0.56 0.00 -1.84 0.00 0.00 35.03 31.94 1spu n LYS 233 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1spu n ASP 234 N -2.18 0.24 -1.36 4.39 5.75 -1.26 -4.90 116.55 117.23 1spu n ASP 234 Ca 0.04 -0.05 -0.10 0.00 -0.01 0.00 0.00 54.79 54.67 1spu n ASP 234 Cb 0.32 -0.19 0.01 0.00 -1.03 0.00 0.00 41.12 40.23 1spu n ASP 234 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1spu n GLY 235 N 1.41 0.10 3.31 6.12 0.00 -0.83 -5.03 105.19 110.27 1spu n GLY 235 Ca 0.10 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.08 2.25 0.17 0.99 1.43 -1.26 -5.11 118.68 114.08 1spu s LEU 236 Ca 0.10 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.46 1spu s LEU 236 Cb -0.04 -1.43 -0.07 0.00 0.03 0.00 0.00 46.19 44.67 1spu s LEU 236 CO 0.12 0.25 1.08 -1.59 0.23 0.00 0.00 176.35 176.44 1spu s LYS 237 N -0.20 4.61 0.41 1.70 -2.85 -1.26 -4.58 119.74 117.58 1spu s LYS 237 Ca -0.02 1.69 0.20 0.00 -1.00 0.00 0.00 55.97 56.84 1spu s LYS 237 Cb -0.13 -3.29 0.88 0.00 -2.06 0.00 0.00 37.83 33.23 1spu s LYS 237 CO 0.03 0.11 1.83 0.37 0.10 0.00 0.00 175.35 177.79 1spu h GLN 238 N 5.10 0.00 0.30 1.78 5.75 -1.99 -3.27 115.11 122.77 1spu h GLN 238 Ca -0.44 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.04 1spu h GLN 238 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 1spu h GLN 238 CO 0.72 0.31 -0.14 -0.44 -2.65 0.00 0.00 178.83 176.62 1spu h ASP 239 N 0.00 -0.34 -3.99 -0.69 5.19 -1.99 -3.46 116.42 111.14 1spu h ASP 239 Ca -0.00 -0.05 -0.53 0.00 -0.62 0.00 0.00 57.03 55.83 1spu h ASP 239 Cb 0.71 0.09 0.09 0.00 0.18 0.00 0.00 39.33 40.40 1spu h ASP 239 CO 0.04 -0.17 0.58 0.00 -3.12 0.00 0.00 179.24 176.57 1spu s ALA 240 N -5.78 3.07 -0.61 3.45 0.00 -1.24 -4.99 121.76 115.66 1spu s ALA 240 Ca -0.15 1.18 -0.21 0.00 0.00 0.00 0.00 51.96 52.77 1spu s ALA 240 Cb 0.04 -3.48 0.07 0.00 0.00 0.00 0.00 23.12 19.76 1spu s ALA 240 CO 0.63 -0.92 0.85 0.50 0.00 0.00 0.00 175.76 176.82 1spu s ARG 241 N -2.53 3.12 0.26 0.00 3.52 -1.26 -5.01 118.95 117.05 1spu s ARG 241 Ca 0.62 -0.90 0.12 0.00 -0.13 0.00 0.00 55.73 55.44 1spu s ARG 241 Cb -0.36 -4.20 -0.05 0.00 -1.56 0.00 0.00 34.95 28.78 1spu s ARG 241 CO 0.45 -1.63 -0.20 -0.51 -0.81 0.00 0.00 175.30 172.59 1spu s LEU 242 N 3.51 2.57 -0.05 -0.88 1.43 -1.26 -1.64 118.68 122.36 1spu s LEU 242 Ca 0.19 -0.98 -0.06 0.00 -1.03 0.00 0.00 54.13 52.25 1spu s LEU 242 Cb -0.19 -1.13 0.01 0.00 0.03 0.00 0.00 46.19 44.92 1spu s LEU 242 CO 0.10 0.06 0.16 -0.76 0.23 0.00 0.00 176.35 176.14 1spu s LEU 243 N -3.33 1.41 0.23 1.79 1.43 -0.88 -4.63 118.68 114.70 1spu s LEU 243 Ca 0.28 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.62 1spu s LEU 243 Cb -0.06 0.60 -0.03 0.00 0.03 0.00 0.00 46.19 46.73 1spu s LEU 243 CO 0.14 -0.13 0.37 -0.54 0.23 0.00 0.00 176.35 176.42 1spu s LYS 244 N -0.26 3.46 -0.10 1.70 1.02 0.30 -0.74 119.74 125.12 1spu s LYS 244 Ca -0.03 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.35 1spu s LYS 244 Cb -0.03 -2.87 0.02 0.00 -0.52 0.00 0.00 37.83 34.43 1spu s LYS 244 CO 0.01 0.41 -0.11 0.08 -0.92 0.00 0.00 175.35 174.82 1spu s VAL 245 N -1.95 1.19 -0.04 3.17 1.01 0.29 0.19 120.40 124.24 1spu s VAL 245 Ca 0.35 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1spu s VAL 245 Cb -0.10 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1spu s VAL 245 CO 0.30 0.38 -0.02 -0.63 0.00 0.00 0.00 175.10 175.13 1spu s ILE 246 N 1.23 4.09 0.08 2.22 -1.09 -1.08 -2.46 121.20 124.19 1spu s ILE 246 Ca -0.03 -0.46 0.08 0.00 -2.23 0.00 0.00 60.65 58.00 1spu s ILE 246 Cb -0.14 -2.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 1spu s ILE 246 CO -0.04 0.50 -0.21 -0.44 -1.23 0.00 0.00 174.94 173.53 1spu s SER 247 N -1.16 2.50 0.13 3.58 0.01 -1.26 -0.73 113.70 116.77 1spu s SER 247 Ca 0.16 -0.63 0.06 0.00 1.31 0.00 0.00 55.95 56.85 1spu s SER 247 Cb -0.11 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 1spu s SER 247 CO 0.05 0.09 -0.14 -0.31 0.41 0.00 0.00 173.24 173.34 1spu s TYR 248 N -1.04 1.44 -0.18 2.43 1.51 0.11 -1.60 117.35 120.02 1spu s TYR 248 Ca 0.07 -0.56 -0.09 0.00 -1.01 0.00 0.00 57.07 55.48 1spu s TYR 248 Cb -0.10 -0.75 -0.05 0.00 -0.11 0.00 0.00 41.96 40.96 1spu s TYR 248 CO 0.03 0.16 0.11 -1.17 -1.11 0.00 0.00 175.55 173.58 1spu s LEU 249 N -2.52 4.11 -0.44 -1.29 2.96 0.33 0.90 118.68 122.73 1spu s LEU 249 Ca 0.10 0.21 -0.27 0.00 -0.22 0.00 0.00 54.13 53.95 1spu s LEU 249 Cb -0.05 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.62 1spu s LEU 249 CO 0.03 0.21 1.04 -0.62 -1.32 0.00 0.00 176.35 175.69 1spu s ASP 250 N 0.18 6.63 -0.01 3.68 -1.08 0.19 -4.60 116.67 121.65 1spu s ASP 250 Ca 0.08 0.44 0.18 0.00 -0.52 0.00 0.00 52.55 52.72 1spu s ASP 250 Cb -0.11 -2.51 0.52 0.00 -1.46 0.00 0.00 42.92 39.36 1spu s ASP 250 CO -0.01 -1.09 1.44 1.33 0.52 0.00 0.00 175.17 177.36 1spu n VAL 251 N 6.48 1.10 -1.37 1.11 0.24 -1.26 -4.91 118.33 119.72 1spu n VAL 251 Ca 0.09 -1.04 -0.02 0.00 -2.04 0.00 0.00 64.34 61.34 1spu n VAL 251 Cb 0.48 0.45 -0.01 0.00 -1.47 0.00 0.00 33.84 33.30 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 1.13 0.45 0.92 7.63 0.00 -1.26 -4.93 105.19 109.12 1spu n GLY 252 Ca 0.20 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 1.69 2.92 0.00 1.61 5.75 -1.26 -4.94 116.55 122.32 1spu n ASP 253 Ca -0.02 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1spu n ASP 253 Cb 0.21 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 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 1.29 0.40 2.62 6.12 0.00 -1.26 -3.68 105.19 110.68 1spu n GLY 254 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.03 3.10 0.36 1.61 2.47 -1.26 -4.89 114.94 114.30 1spu s ASN 255 Ca 0.00 -2.95 0.13 0.00 0.42 0.00 0.00 52.86 50.46 1spu s ASN 255 Cb 0.00 -0.88 0.69 0.00 -1.45 0.00 0.00 41.25 39.61 1spu s ASN 255 CO 0.00 -0.21 1.80 0.10 -3.72 0.00 0.00 177.10 175.07 1spu h TYR 256 N 6.16 0.00 -0.15 0.43 -0.00 -1.94 -2.71 116.97 118.76 1spu h TYR 256 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 58.73 58.89 1spu h TYR 256 Cb 0.89 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.62 1spu h TYR 256 CO 0.45 0.40 0.30 -1.49 -0.00 0.00 0.00 178.16 177.82 1spu h TRP 257 N 0.00 0.00 -0.00 0.10 4.06 -1.92 0.10 115.95 118.28 1spu h TRP 257 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1spu h TRP 257 Cb 0.73 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.89 1spu h TRP 257 CO 0.00 0.00 -0.05 0.00 -3.56 0.00 0.00 178.44 174.83 1spu n ALA 258 N -2.13 2.69 -3.50 1.49 0.00 -1.02 -4.42 120.51 113.61 1spu n ALA 258 Ca 0.01 -0.28 -0.27 0.00 0.00 0.00 0.00 53.44 52.91 1spu n ALA 258 Cb 0.40 -1.36 -0.10 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.76 0.54 -2.75 0.00 8.25 0.35 -4.69 115.22 116.16 1spu n HIS 259 Ca 0.18 -3.66 -0.33 0.00 -0.26 0.00 0.00 57.72 53.65 1spu n HIS 259 Cb 0.24 -0.10 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 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 -0.67 4.15 -0.55 -0.41 0.04 -1.26 -0.51 135.00 135.79 1spu s PRO 260 Ca 0.32 1.15 -0.05 0.00 0.04 0.00 0.00 61.00 62.45 1spu s PRO 260 Cb 0.04 -2.16 0.14 0.00 0.04 0.00 0.00 34.50 32.56 1spu s PRO 260 CO -0.17 -0.11 0.38 0.42 0.04 0.00 0.00 177.00 177.56 1spu s ILE 261 N -2.17 3.85 0.26 0.56 1.01 -0.63 -4.25 121.20 119.83 1spu s ILE 261 Ca 0.63 -2.41 -0.30 0.00 0.00 0.00 0.00 60.65 58.57 1spu s ILE 261 Cb -0.10 -3.54 -0.09 0.00 0.01 0.00 0.00 42.46 38.74 1spu s ILE 261 CO 0.15 -0.82 1.12 -0.70 0.00 0.00 0.00 174.94 174.70 1spu s GLU 262 N 0.61 4.60 -0.79 2.79 2.56 -1.26 -3.80 118.70 123.41 1spu s GLU 262 Ca 0.12 1.83 -0.02 0.00 0.00 0.00 0.00 54.97 56.90 1spu s GLU 262 Cb -0.21 -3.20 0.00 0.00 2.00 0.00 0.00 34.13 32.72 1spu s GLU 262 CO -0.03 0.14 0.27 0.09 -0.56 0.00 0.00 175.26 175.17 1spu n ASN 263 N 1.45 -3.78 -3.88 -1.70 5.03 -1.26 -4.30 115.26 106.82 1spu n ASN 263 Ca -0.00 -0.13 -0.28 0.00 0.87 0.00 0.00 54.58 55.04 1spu n ASN 263 Cb 0.45 -2.72 -0.16 0.00 -1.02 0.00 0.00 39.78 36.33 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 -3.51 1.73 -0.02 3.41 2.96 -1.25 -0.07 118.68 121.94 1spu s LEU 264 Ca 0.13 -0.78 0.05 0.00 -0.22 0.00 0.00 54.13 53.31 1spu s LEU 264 Cb -0.06 -0.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 1spu s LEU 264 CO 0.17 -0.21 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.14 1spu s VAL 265 N 1.62 1.24 -0.05 1.68 1.01 0.59 -4.51 120.40 121.98 1spu s VAL 265 Ca -0.01 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1spu s VAL 265 Cb -0.16 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.17 1spu s VAL 265 CO -0.07 0.35 -0.19 0.00 0.00 0.00 0.00 175.10 175.19 1spu s ALA 266 N -0.23 1.68 -0.21 5.51 0.00 -1.03 0.13 121.76 127.62 1spu s ALA 266 Ca 0.03 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 1spu s ALA 266 Cb -0.07 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1spu s ALA 266 CO 0.00 0.29 0.09 0.08 0.00 0.00 0.00 175.76 176.22 1spu s VAL 267 N 0.08 4.91 -0.09 0.00 1.01 0.12 0.10 120.40 126.54 1spu s VAL 267 Ca -0.06 0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1spu s VAL 267 Cb -0.13 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1spu s VAL 267 CO 0.03 0.42 -0.15 -0.69 0.00 0.00 0.00 175.10 174.71 1spu s VAL 268 N 0.69 2.92 -0.54 2.92 1.01 0.08 -0.01 120.40 127.48 1spu s VAL 268 Ca 0.05 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.12 1spu s VAL 268 Cb -0.13 -2.18 0.10 0.00 0.00 0.00 0.00 36.38 34.17 1spu s VAL 268 CO 0.02 0.55 0.56 -0.62 0.00 0.00 0.00 175.10 175.61 1spu s ASP 269 N -0.08 6.18 0.45 3.32 -1.08 0.01 -2.07 116.67 123.39 1spu s ASP 269 Ca -0.03 -1.45 0.31 0.00 -0.52 0.00 0.00 52.55 50.86 1spu s ASP 269 Cb -0.14 -2.24 1.55 0.00 -1.46 0.00 0.00 42.92 40.62 1spu s ASP 269 CO 0.04 -0.90 1.93 -0.07 0.52 0.00 0.00 175.17 176.69 1spu h LEU 270 N 9.32 0.00 0.06 -1.34 3.38 -1.59 0.33 115.31 125.47 1spu h LEU 270 Ca -0.29 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.48 1spu h LEU 270 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1spu h LEU 270 CO 1.01 0.00 -1.01 -0.33 0.09 0.00 0.00 178.44 178.20 1spu h GLU 271 N 0.00 0.13 0.00 1.13 4.39 -1.91 -3.32 114.58 115.00 1spu h GLU 271 Ca 0.00 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1spu h GLU 271 Cb 0.14 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1spu h GLU 271 CO 0.00 1.11 0.00 1.04 -1.16 0.00 0.00 179.01 180.00 1spu n GLN 272 N -4.22 0.14 -3.82 2.33 6.02 -1.06 -4.91 117.38 111.86 1spu n GLN 272 Ca -0.22 0.22 -0.25 0.00 -0.01 0.00 0.00 57.00 56.73 1spu n GLN 272 Cb 0.75 -1.70 0.02 0.00 1.02 0.00 0.00 30.24 30.33 1spu n GLN 272 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1spu n LYS 273 N -1.96 -4.95 -3.73 -1.09 4.76 0.11 -4.98 118.16 106.33 1spu n LYS 273 Ca 0.05 0.58 -0.10 0.00 -2.87 0.00 0.00 58.31 55.97 1spu n LYS 273 Cb 0.32 -5.23 -0.06 0.00 -1.84 0.00 0.00 35.03 28.22 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 -6.31 0.96 -0.14 1.97 -2.85 -0.96 -4.92 119.74 107.50 1spu s LYS 274 Ca 0.27 -0.81 -0.29 0.00 -1.00 0.00 0.00 55.97 54.14 1spu s LYS 274 Cb -0.14 0.41 -0.02 0.00 -2.06 0.00 0.00 37.83 36.02 1spu s LYS 274 CO 0.83 -0.35 1.35 0.42 0.10 0.00 0.00 175.35 177.70 1spu s ILE 275 N -3.80 4.12 -2.83 3.79 1.01 -1.26 -0.81 121.20 121.42 1spu s ILE 275 Ca 0.04 1.36 0.24 0.00 0.00 0.00 0.00 60.65 62.28 1spu s ILE 275 Cb 0.03 -3.88 0.16 0.00 0.01 0.00 0.00 42.46 38.78 1spu s ILE 275 CO -0.11 -0.12 1.23 1.33 0.00 0.00 0.00 174.94 177.27 1spu n VAL 276 N 5.37 0.00 -3.65 2.92 0.24 0.99 -4.93 118.33 119.28 1spu n VAL 276 Ca 0.15 -0.46 -0.04 0.00 -2.04 0.00 0.00 64.34 61.94 1spu n VAL 276 Cb 0.44 1.46 -0.07 0.00 -1.47 0.00 0.00 33.84 34.20 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 -2.07 0.21 -0.12 7.34 2.20 -1.19 -4.97 119.74 121.14 1spu s LYS 277 Ca 0.26 0.26 0.01 0.00 -0.36 0.00 0.00 55.97 56.15 1spu s LYS 277 Cb 0.20 0.10 0.02 0.00 -1.51 0.00 0.00 37.83 36.63 1spu s LYS 277 CO 0.34 -0.03 -0.15 0.42 -0.36 0.00 0.00 175.35 175.58 1spu s ILE 278 N 0.22 1.51 -0.21 5.43 1.01 -1.26 0.12 121.20 128.02 1spu s ILE 278 Ca 0.04 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 1spu s ILE 278 Cb -0.05 -1.39 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1spu s ILE 278 CO -0.12 0.44 -0.03 -1.61 0.00 0.00 0.00 174.94 173.62 1spu s GLU 279 N 1.11 3.46 -0.08 2.79 2.02 0.36 -4.98 118.70 123.37 1spu s GLU 279 Ca -0.04 -0.59 0.03 0.00 0.02 0.00 0.00 54.97 54.38 1spu s GLU 279 Cb -0.14 -3.01 0.01 0.00 0.10 0.00 0.00 34.13 31.09 1spu s GLU 279 CO -0.04 -0.09 -0.16 -1.21 0.02 0.00 0.00 175.26 173.78 1spu s GLU 280 N 1.23 2.13 0.41 1.61 2.02 -1.26 -0.30 118.70 124.54 1spu s GLU 280 Ca 0.03 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.47 1spu s GLU 280 Cb -0.14 -1.72 0.01 0.00 0.10 0.00 0.00 34.13 32.37 1spu s GLU 280 CO -0.01 0.04 0.05 0.41 0.02 0.00 0.00 175.26 175.78 1spu n GLY 281 N 3.83 3.55 3.72 -1.39 0.00 0.90 -5.03 105.19 110.78 1spu n GLY 281 Ca -0.21 -2.33 -0.42 0.00 0.00 0.00 0.00 46.02 43.06 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 -1.09 2.29 -2.30 1.61 -0.04 -1.26 -4.86 135.00 129.35 1spu n PRO 282 Ca -0.14 0.80 -0.42 0.00 -0.04 0.00 0.00 63.50 63.70 1spu n PRO 282 Cb 0.51 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 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 -1.10 3.75 -0.15 0.52 1.01 -1.26 -4.50 120.40 118.68 1spu s VAL 283 Ca 0.55 1.22 -0.01 0.00 0.00 0.00 0.00 61.98 63.74 1spu s VAL 283 Cb -0.54 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.09 1spu s VAL 283 CO 0.63 0.06 -0.06 -0.69 0.00 0.00 0.00 175.10 175.04 1spu s VAL 284 N 1.55 1.05 0.43 2.92 1.01 -1.26 -5.10 120.40 121.00 1spu s VAL 284 Ca 0.62 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 1spu s VAL 284 Cb -0.32 -1.18 -0.10 0.00 0.00 0.00 0.00 36.38 34.78 1spu s VAL 284 CO 0.28 0.21 1.05 -2.65 0.00 0.00 0.00 175.10 173.98 1spu n PRO 285 N 4.91 1.41 -2.43 2.72 -0.02 -1.26 -4.40 135.00 135.93 1spu n PRO 285 Ca -0.12 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.46 1spu n PRO 285 Cb 0.49 -2.09 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 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 -1.27 3.61 -0.06 -1.45 1.01 -1.26 -4.79 120.40 116.19 1spu s VAL 286 Ca 0.63 1.43 -0.30 0.00 0.00 0.00 0.00 61.98 63.75 1spu s VAL 286 Cb -0.55 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 31.86 1spu s VAL 286 CO 0.57 0.27 1.73 -2.84 0.00 0.00 0.00 175.10 174.82 1spu s PRO 287 N -0.63 4.10 -0.07 2.72 0.02 -1.26 -4.87 135.00 135.01 1spu s PRO 287 Ca 0.49 2.21 0.21 0.00 0.02 0.00 0.00 61.00 63.94 1spu s PRO 287 Cb -0.32 -4.04 -0.32 0.00 0.02 0.00 0.00 34.50 29.85 1spu s PRO 287 CO 0.38 -0.95 0.38 -1.33 -0.33 0.00 0.00 177.00 175.15 1spu n MET 288 N 7.31 0.67 -1.68 5.54 2.81 -1.26 -4.33 117.12 126.18 1spu n MET 288 Ca 0.18 -0.15 -0.44 0.00 -1.81 0.00 0.00 57.70 55.48 1spu n MET 288 Cb 0.43 -1.52 -0.04 0.00 -0.71 0.00 0.00 33.22 31.38 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 -2.37 0.42 -1.68 2.03 -1.04 -1.26 -4.88 114.28 105.49 1spu n THR 289 Ca -0.11 -0.07 -0.44 0.00 -2.04 0.00 0.00 64.05 61.39 1spu n THR 289 Cb 0.71 -2.01 -0.04 0.00 -1.82 0.00 0.00 70.33 67.17 1spu n THR 289 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1spu n ALA 290 N 5.79 1.74 -3.45 2.41 0.00 -1.26 -4.95 120.51 120.79 1spu n ALA 290 Ca 0.19 0.31 -0.26 0.00 0.00 0.00 0.00 53.44 53.68 1spu n ALA 290 Cb 0.35 -2.55 -0.09 0.00 0.00 0.00 0.00 19.45 17.15 1spu n ALA 290 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1spu n ARG 291 N 5.79 1.22 -2.41 0.00 5.12 -1.26 -5.09 116.66 120.03 1spu n ARG 291 Ca 0.19 -3.81 -0.36 0.00 -1.93 0.00 0.00 57.85 51.94 1spu n ARG 291 Cb 0.35 -1.80 -0.02 0.00 -1.16 0.00 0.00 32.46 29.82 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 -1.20 3.84 0.00 5.56 0.04 -1.24 -4.57 135.00 137.43 1spu s PRO 292 Ca 0.33 1.59 0.05 0.00 0.04 0.00 0.00 61.00 63.01 1spu s PRO 292 Cb 0.09 -2.33 0.02 0.00 0.04 0.00 0.00 34.50 32.31 1spu s PRO 292 CO -0.12 -0.44 0.54 1.97 0.04 0.00 0.00 177.00 178.99 1spu n PHE 293 N -0.56 0.00 0.79 0.56 1.16 -1.26 -4.68 117.46 113.47 1spu n PHE 293 Ca 0.08 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.75 1spu n PHE 293 Cb 0.50 0.00 0.27 0.00 -1.61 0.00 0.00 39.48 38.64 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 -0.06 2.28 0.00 5.98 5.75 -1.26 -4.93 116.55 124.31 1spu n ASP 294 Ca 0.02 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 1spu n ASP 294 Cb 0.11 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 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 1.23 0.57 0.35 6.12 0.00 -1.26 -4.93 105.19 107.27 1spu n GLY 295 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 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 1.29 0.20 -0.26 1.61 0.11 -1.92 -1.80 114.38 113.61 1spu h ARG 296 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1spu h ARG 296 Cb 0.00 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.03 1spu h ARG 296 CO 0.00 0.13 0.00 -0.40 0.10 0.00 0.00 179.97 179.80 1spu n ASP 297 N -4.45 3.23 -4.45 0.08 5.75 -1.26 -5.00 116.55 110.45 1spu n ASP 297 Ca 0.08 -1.98 -0.22 0.00 -0.01 0.00 0.00 54.79 52.66 1spu n ASP 297 Cb 0.43 -0.16 -0.10 0.00 -1.03 0.00 0.00 41.12 40.25 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 -1.68 1.60 -0.09 0.11 1.81 -0.68 -5.13 118.95 114.90 1spu s ARG 298 Ca 0.35 -1.79 -0.02 0.00 -1.72 0.00 0.00 55.73 52.55 1spu s ARG 298 Cb 0.22 -1.38 0.04 0.00 -0.45 0.00 0.00 34.95 33.38 1spu s ARG 298 CO 0.31 0.13 0.03 0.08 -0.68 0.00 0.00 175.30 175.17 1spu s VAL 299 N -2.83 0.21 0.44 3.52 1.01 -1.26 -4.96 120.40 116.52 1spu s VAL 299 Ca 0.29 0.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.15 1spu s VAL 299 Cb 0.02 -0.49 -0.09 0.00 0.00 0.00 0.00 36.38 35.82 1spu s VAL 299 CO 0.13 0.13 1.06 0.00 0.00 0.00 0.00 175.10 176.41 1spu s ALA 300 N 2.03 2.99 0.15 5.51 0.00 -1.26 -5.00 121.76 126.18 1spu s ALA 300 Ca 0.04 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 1spu s ALA 300 Cb -0.13 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 1spu s ALA 300 CO -0.05 -0.30 1.07 -1.25 0.00 0.00 0.00 175.76 175.23 1spu s PRO 301 N -2.81 4.61 0.49 0.00 0.04 -1.26 -5.00 135.00 131.07 1spu s PRO 301 Ca 0.62 1.65 -0.23 0.00 0.04 0.00 0.00 61.00 63.08 1spu s PRO 301 Cb -0.20 -3.31 -0.06 0.00 0.04 0.00 0.00 34.50 30.96 1spu s PRO 301 CO 0.25 0.09 1.29 0.00 0.04 0.00 0.00 177.00 178.67 1spu s ALA 302 N -0.09 2.96 0.07 8.56 0.00 -1.26 -5.03 121.76 126.97 1spu s ALA 302 Ca 0.49 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.70 1spu s ALA 302 Cb -0.28 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.32 1spu s ALA 302 CO 0.33 -1.05 -0.13 0.08 0.00 0.00 0.00 175.76 175.00 1spu s VAL 303 N -1.37 0.99 0.24 0.00 1.01 -1.26 -5.14 120.40 114.87 1spu s VAL 303 Ca 0.66 -1.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 1spu s VAL 303 Cb -0.36 -0.99 -0.08 0.00 0.00 0.00 0.00 36.38 34.94 1spu s VAL 303 CO 0.44 -0.27 0.72 -0.54 0.00 0.00 0.00 175.10 175.45 1spu s LYS 304 N -1.76 4.20 0.51 2.72 1.02 -1.26 -5.01 119.74 120.15 1spu s LYS 304 Ca -0.03 0.82 -0.23 0.00 0.02 0.00 0.00 55.97 56.55 1spu s LYS 304 Cb -0.10 -2.80 -0.06 0.00 -0.52 0.00 0.00 37.83 34.35 1spu s LYS 304 CO 0.02 0.36 1.34 -1.25 -0.92 0.00 0.00 175.35 174.89 1spu s PRO 305 N -2.15 3.36 -0.03 -1.68 0.04 -1.26 -5.05 135.00 128.24 1spu s PRO 305 Ca 0.45 2.19 -0.00 0.00 0.04 0.00 0.00 61.00 63.67 1spu s PRO 305 Cb -0.15 -2.37 0.03 0.00 0.04 0.00 0.00 34.50 32.05 1spu s PRO 305 CO 0.20 -1.00 0.02 1.41 0.04 0.00 0.00 177.00 177.67 1spu s MET 306 N -2.77 0.17 0.04 4.56 1.75 -1.26 -5.15 119.30 116.63 1spu s MET 306 Ca 0.68 0.15 0.02 0.00 -1.25 0.00 0.00 55.69 55.29 1spu s MET 306 Cb -0.39 -0.44 -0.02 0.00 2.84 0.00 0.00 34.83 36.82 1spu s MET 306 CO 0.47 -0.18 -0.07 -0.65 -0.65 0.00 0.00 175.02 173.94 1spu s GLN 307 N 1.23 0.49 -0.30 4.11 -0.21 -1.26 -5.00 119.66 118.73 1spu s GLN 307 Ca -0.07 -0.72 0.00 0.00 0.02 0.00 0.00 55.36 54.59 1spu s GLN 307 Cb -0.13 -0.24 0.06 0.00 1.00 0.00 0.00 33.01 33.70 1spu s GLN 307 CO -0.02 0.04 -0.01 0.42 -2.12 0.00 0.00 175.29 173.59 1spu s ILE 308 N -1.36 2.70 0.11 1.08 1.01 -1.26 -5.10 121.20 118.37 1spu s ILE 308 Ca -0.11 -1.60 0.08 0.00 0.00 0.00 0.00 60.65 59.02 1spu s ILE 308 Cb -0.10 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 1spu s ILE 308 CO 0.00 -0.17 -0.12 0.27 0.00 0.00 0.00 174.94 174.91 1spu s ILE 309 N 1.17 3.21 -0.49 2.92 -4.36 -1.26 -3.57 121.20 118.82 1spu s ILE 309 Ca -0.04 -1.35 0.04 0.00 -0.26 0.00 0.00 60.65 59.05 1spu s ILE 309 Cb -0.20 -2.50 0.17 0.00 1.25 0.00 0.00 42.46 41.18 1spu s ILE 309 CO -0.03 0.10 0.37 -1.61 0.24 0.00 0.00 174.94 174.02 1spu s GLU 310 N -2.20 1.33 0.49 0.37 2.02 -1.26 -5.00 118.70 114.44 1spu s GLU 310 Ca 0.20 -2.42 0.33 0.00 0.02 0.00 0.00 54.97 53.10 1spu s GLU 310 Cb -0.11 -1.99 1.60 0.00 0.10 0.00 0.00 34.13 33.73 1spu s GLU 310 CO 0.13 -1.35 1.99 -1.00 0.02 0.00 0.00 175.26 175.05 1spu h PRO 311 N 5.65 0.00 -0.45 0.39 0.13 -1.97 -2.24 132.00 133.51 1spu h PRO 311 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1spu h PRO 311 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1spu h PRO 311 CO 0.47 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.63 1spu n GLU 312 N -2.75 3.10 0.00 0.86 1.02 -1.26 -3.18 120.64 118.43 1spu n GLU 312 Ca -0.01 -2.50 0.00 0.00 -0.02 0.00 0.00 57.16 54.64 1spu n GLU 312 Cb 0.16 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 0.57 -1.80 3.95 0.62 0.00 -0.84 -4.79 105.19 102.89 1spu n GLY 313 Ca 0.19 -1.96 -0.20 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 3.16 0.13 1.61 -0.14 -1.26 -4.77 119.74 118.46 1spu s LYS 314 Ca 0.00 -0.96 0.25 0.00 -1.36 0.00 0.00 55.97 53.90 1spu s LYS 314 Cb 0.00 -2.78 0.62 0.00 -1.68 0.00 0.00 37.83 34.00 1spu s LYS 314 CO 0.00 0.23 1.56 0.09 -0.76 0.00 0.00 175.35 176.47 1spu n ASN 315 N -1.48 0.64 -4.85 2.83 4.13 -1.26 -4.85 115.26 110.42 1spu n ASN 315 Ca -0.04 0.28 -0.23 0.00 1.68 0.00 0.00 54.58 56.27 1spu n ASN 315 Cb 0.58 -0.24 -0.04 0.00 -1.54 0.00 0.00 39.78 38.54 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 -3.11 3.21 0.01 3.10 1.13 -1.26 -4.46 117.35 115.97 1spu s TYR 316 Ca 0.09 -0.05 0.06 0.00 -1.41 0.00 0.00 57.07 55.75 1spu s TYR 316 Cb 0.14 -1.48 -0.02 0.00 -1.10 0.00 0.00 41.96 39.51 1spu s TYR 316 CO 0.65 0.51 -0.18 0.95 -2.51 0.00 0.00 175.55 174.97 1spu s THR 317 N -1.98 1.42 -0.26 -3.49 -4.23 -0.54 -4.71 115.64 101.84 1spu s THR 317 Ca 0.33 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.98 1spu s THR 317 Cb -0.09 -1.20 0.07 0.00 1.34 0.00 0.00 72.50 72.62 1spu s THR 317 CO 0.25 0.30 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.93 1spu s ILE 318 N -0.55 2.00 -0.46 2.99 1.01 -0.18 -0.71 121.20 125.30 1spu s ILE 318 Ca 0.06 -1.61 -0.02 0.00 0.00 0.00 0.00 60.65 59.08 1spu s ILE 318 Cb -0.07 -2.20 0.12 0.00 0.01 0.00 0.00 42.46 40.32 1spu s ILE 318 CO 0.00 -0.13 0.24 -0.89 0.00 0.00 0.00 174.94 174.17 1spu s THR 319 N 1.16 3.22 0.00 2.92 2.01 -0.06 -0.20 115.64 124.69 1spu s THR 319 Ca -0.06 -2.38 0.00 0.00 0.31 0.00 0.00 61.69 59.56 1spu s THR 319 Cb -0.20 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.12 1spu s THR 319 CO -0.06 -0.73 0.00 0.61 -0.69 0.00 0.00 174.62 173.75 1spu n GLY 320 N 4.20 1.57 0.28 4.40 0.00 -1.22 -1.32 105.19 113.11 1spu n GLY 320 Ca 0.01 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 10.55 1.79 -4.62 1.61 8.00 -1.26 -4.99 116.55 127.63 1spu n ASP 321 Ca 0.00 -1.46 -0.42 0.00 0.71 0.00 0.00 54.79 53.62 1spu n ASP 321 Cb 0.00 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.03 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 -0.65 4.00 -0.15 -1.24 -1.94 -0.44 -1.30 119.30 117.59 1spu s MET 322 Ca 0.09 0.76 -0.07 0.00 -1.71 0.00 0.00 55.69 54.76 1spu s MET 322 Cb 0.06 -3.73 -0.04 0.00 2.01 0.00 0.00 34.83 33.13 1spu s MET 322 CO 0.08 -0.74 0.08 0.42 -0.01 0.00 0.00 175.02 174.85 1spu s ILE 323 N 3.17 5.02 -0.11 2.53 1.01 0.13 -0.88 121.20 132.07 1spu s ILE 323 Ca 0.37 0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1spu s ILE 323 Cb -0.14 -3.21 0.02 0.00 0.01 0.00 0.00 42.46 39.14 1spu s ILE 323 CO 0.13 0.54 -0.10 -2.28 0.00 0.00 0.00 174.94 173.23 1spu s HIS 324 N -0.34 1.62 -0.16 3.97 5.65 0.11 -1.27 115.29 124.88 1spu s HIS 324 Ca 0.10 -0.78 -0.06 0.00 0.25 0.00 0.00 55.06 54.57 1spu s HIS 324 Cb -0.12 -1.27 0.07 0.00 -1.18 0.00 0.00 32.58 30.09 1spu s HIS 324 CO 0.01 -0.48 0.33 -0.46 -0.65 0.00 0.00 174.74 173.49 1spu s TRP 325 N 1.39 -0.58 0.00 3.88 -0.00 0.15 -1.46 118.94 122.32 1spu s TRP 325 Ca -0.00 1.20 0.00 0.00 -0.00 0.00 0.00 56.10 57.30 1spu s TRP 325 Cb -0.13 0.12 0.00 0.00 -0.00 0.00 0.00 33.47 33.45 1spu s TRP 325 CO -0.05 -0.40 0.00 0.54 -0.00 0.00 0.00 176.95 177.03 1spu n ARG 326 N 5.29 0.00 0.00 5.86 1.74 -1.26 0.15 116.66 128.44 1spu n ARG 326 Ca -0.08 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.12 1spu n ARG 326 Cb 0.50 0.00 0.30 0.00 -1.02 0.00 0.00 32.46 32.23 1spu n ARG 326 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1spu n ASN 327 N 6.03 2.00 -4.80 0.55 4.13 -1.26 -4.91 115.26 117.00 1spu n ASN 327 Ca 0.00 -1.58 -0.39 0.00 1.68 0.00 0.00 54.58 54.29 1spu n ASN 327 Cb 0.00 0.08 -0.06 0.00 -1.54 0.00 0.00 39.78 38.26 1spu n ASN 327 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1spu s TRP 328 N -2.13 3.80 -0.04 3.10 0.52 0.12 0.70 118.94 125.01 1spu s TRP 328 Ca 0.30 1.28 -0.01 0.00 0.02 0.00 0.00 56.10 57.69 1spu s TRP 328 Cb 0.20 -2.52 0.03 0.00 -1.15 0.00 0.00 33.47 30.03 1spu s TRP 328 CO 0.38 0.56 0.04 -0.51 0.02 0.00 0.00 176.95 177.44 1spu s ASP 329 N -1.00 0.87 0.19 2.95 1.01 -1.15 -0.67 116.67 118.87 1spu s ASP 329 Ca 0.29 0.05 -0.18 0.00 0.71 0.00 0.00 52.55 53.43 1spu s ASP 329 Cb -0.20 -0.15 0.03 0.00 1.01 0.00 0.00 42.92 43.61 1spu s ASP 329 CO 0.19 -0.21 0.53 0.72 0.21 0.00 0.00 175.17 176.61 1spu s PHE 330 N 1.81 -0.14 -0.16 4.23 -0.71 -0.40 -2.27 117.98 120.35 1spu s PHE 330 Ca 0.01 -0.20 -0.03 0.00 -1.04 0.00 0.00 56.93 55.67 1spu s PHE 330 Cb -0.12 0.40 -0.02 0.00 -1.21 0.00 0.00 43.02 42.07 1spu s PHE 330 CO -0.03 -0.92 -0.07 -1.58 -1.34 0.00 0.00 175.22 171.28 1spu s HIS 331 N -3.87 2.95 -0.18 3.49 2.46 0.41 0.18 115.29 120.73 1spu s HIS 331 Ca 0.09 -0.50 -0.01 0.00 0.47 0.00 0.00 55.06 55.11 1spu s HIS 331 Cb -0.01 -1.94 -0.00 0.00 -0.13 0.00 0.00 32.58 30.49 1spu s HIS 331 CO -0.03 -0.16 -0.12 -1.17 -2.47 0.00 0.00 174.74 170.79 1spu s LEU 332 N 0.52 2.61 0.08 8.88 2.96 -0.42 -0.24 118.68 133.07 1spu s LEU 332 Ca -0.05 -0.45 -0.00 0.00 -0.22 0.00 0.00 54.13 53.41 1spu s LEU 332 Cb -0.15 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1spu s LEU 332 CO 0.03 0.05 -0.02 -0.94 -1.32 0.00 0.00 176.35 174.15 1spu s SER 333 N 1.03 0.66 -0.02 3.68 1.04 -0.73 -4.75 113.70 114.61 1spu s SER 333 Ca -0.01 -1.05 0.03 0.00 0.48 0.00 0.00 55.95 55.40 1spu s SER 333 Cb -0.15 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 1spu s SER 333 CO -0.02 -0.59 -0.08 -0.32 0.98 0.00 0.00 173.24 173.21 1spu s MET 334 N -3.92 2.59 -0.01 4.02 1.75 -1.26 -0.91 119.30 121.55 1spu s MET 334 Ca 0.12 -0.67 0.05 0.00 -1.25 0.00 0.00 55.69 53.94 1spu s MET 334 Cb 0.07 -2.51 -0.01 0.00 2.84 0.00 0.00 34.83 35.22 1spu s MET 334 CO -0.06 0.62 -0.16 1.21 -0.65 0.00 0.00 175.02 175.98 1spu s ASN 335 N -1.15 1.90 0.36 1.11 3.84 0.14 -4.90 114.94 116.25 1spu s ASN 335 Ca 0.15 -0.29 0.16 0.00 0.21 0.00 0.00 52.86 53.08 1spu s ASN 335 Cb -0.11 -0.24 0.68 0.00 -0.55 0.00 0.00 41.25 41.04 1spu s ASN 335 CO 0.05 0.19 1.76 0.77 -2.79 0.00 0.00 177.10 177.08 1spu h SER 336 N 5.78 0.00 0.00 -4.21 4.64 -1.89 -0.98 113.55 116.90 1spu h SER 336 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1spu h SER 336 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1spu h SER 336 CO 0.48 0.41 -0.03 -0.09 -0.87 0.00 0.00 176.83 176.73 1spu h ARG 337 N 0.00 0.00 -0.01 4.77 2.43 -1.90 0.12 114.38 119.79 1spu h ARG 337 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1spu h ARG 337 Cb 0.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1spu h ARG 337 CO 0.05 0.00 -0.57 1.33 -1.51 0.00 0.00 179.97 179.28 1spu n VAL 338 N -4.16 0.00 -1.88 0.20 0.24 -1.25 -1.14 118.33 110.35 1spu n VAL 338 Ca -0.00 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1spu n VAL 338 Cb 0.02 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 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 1.44 0.53 3.77 7.63 0.00 -0.37 -4.41 105.19 113.79 1spu n GLY 339 Ca 0.08 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 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 3.94 -0.13 1.61 0.04 -1.26 -0.68 135.00 138.52 1spu s PRO 340 Ca 0.00 1.88 0.02 0.00 0.04 0.00 0.00 61.00 62.94 1spu s PRO 340 Cb 0.00 -2.61 0.01 0.00 0.04 0.00 0.00 34.50 31.94 1spu s PRO 340 CO 0.00 -0.43 -0.21 -1.64 0.04 0.00 0.00 177.00 174.77 1spu s MET 341 N -2.40 2.86 -0.35 4.56 -1.94 -0.09 -4.32 119.30 117.61 1spu s MET 341 Ca 0.59 -0.80 -0.11 0.00 -1.71 0.00 0.00 55.69 53.66 1spu s MET 341 Cb -0.31 -2.32 0.01 0.00 2.01 0.00 0.00 34.83 34.22 1spu s MET 341 CO 0.39 -0.01 0.21 0.42 -0.01 0.00 0.00 175.02 176.02 1spu s ILE 342 N 0.82 4.75 0.28 2.53 1.09 -0.27 -1.77 121.20 128.63 1spu s ILE 342 Ca -0.08 -0.62 0.07 0.00 -1.10 0.00 0.00 60.65 58.92 1spu s ILE 342 Cb -0.16 -3.55 -0.06 0.00 -1.06 0.00 0.00 42.46 37.63 1spu s ILE 342 CO -0.01 -0.12 -0.07 -0.44 -0.10 0.00 0.00 174.94 174.20 1spu s SER 343 N 1.61 2.77 -1.08 3.58 0.01 0.66 0.01 113.70 121.27 1spu s SER 343 Ca 0.04 -1.18 -0.25 0.00 1.31 0.00 0.00 55.95 55.87 1spu s SER 343 Cb -0.18 -0.17 0.03 0.00 0.21 0.00 0.00 66.02 65.91 1spu s SER 343 CO 0.07 -0.33 0.47 0.35 0.41 0.00 0.00 173.24 174.21 1spu n THR 344 N -0.58 -1.94 -2.78 1.44 -2.24 0.20 -0.45 114.28 107.93 1spu n THR 344 Ca -0.06 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.82 1spu n THR 344 Cb 0.63 -1.68 -0.03 0.00 -2.10 0.00 0.00 70.33 67.15 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 -3.84 4.80 0.11 2.28 1.01 0.18 -4.27 120.40 120.67 1spu s VAL 345 Ca 0.34 1.82 0.05 0.00 0.00 0.00 0.00 61.98 64.20 1spu s VAL 345 Cb -0.19 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1spu s VAL 345 CO 0.83 -0.05 -0.13 0.42 0.00 0.00 0.00 175.10 176.16 1spu s THR 346 N 2.52 1.24 -0.15 3.92 -4.23 -0.96 0.70 115.64 118.68 1spu s THR 346 Ca 0.41 -1.66 0.01 0.00 -1.18 0.00 0.00 61.69 59.28 1spu s THR 346 Cb -0.16 -1.45 0.02 0.00 1.34 0.00 0.00 72.50 72.25 1spu s THR 346 CO 0.11 -0.41 -0.17 -0.47 -0.54 0.00 0.00 174.62 173.14 1spu s TYR 347 N -2.08 2.35 -0.91 3.99 6.14 0.11 -2.93 117.35 124.02 1spu s TYR 347 Ca 0.07 -1.31 -0.25 0.00 0.64 0.00 0.00 57.07 56.22 1spu s TYR 347 Cb -0.05 -1.68 0.04 0.00 0.42 0.00 0.00 41.96 40.69 1spu s TYR 347 CO 0.02 -0.68 1.39 1.21 0.64 0.00 0.00 175.55 178.13 1spu s ASN 348 N 1.32 6.36 -0.77 4.32 3.04 0.22 0.31 114.94 129.73 1spu s ASN 348 Ca 0.03 -1.06 -0.20 0.00 0.04 0.00 0.00 52.86 51.67 1spu s ASN 348 Cb -0.13 -2.57 0.10 0.00 -1.54 0.00 0.00 41.25 37.11 1spu s ASN 348 CO -0.10 -1.64 1.00 -0.62 -3.04 0.00 0.00 177.10 172.70 1spu s ASP 349 N 4.52 6.39 -1.47 -4.21 -1.08 0.38 -4.45 116.67 116.73 1spu s ASP 349 Ca 0.42 -1.55 -0.08 0.00 -0.52 0.00 0.00 52.55 50.82 1spu s ASP 349 Cb -0.03 -2.39 0.06 0.00 -1.46 0.00 0.00 42.92 39.09 1spu s ASP 349 CO -0.00 -1.22 0.76 -3.20 0.52 0.00 0.00 175.17 172.03 1spu n ASN 350 N 6.95 -2.69 0.00 -0.34 2.85 -1.26 -1.81 115.26 118.97 1spu n ASN 350 Ca 0.08 -0.87 0.00 0.00 -0.11 0.00 0.00 54.58 53.68 1spu n ASN 350 Cb 0.47 -3.59 0.00 0.00 1.24 0.00 0.00 39.78 37.90 1spu n ASN 350 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1spu n GLY 351 N -1.68 0.71 3.06 8.20 0.00 -1.26 -5.04 105.19 109.18 1spu n GLY 351 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.53 1.78 -0.22 2.61 2.01 -0.75 -5.09 115.64 113.44 1spu s THR 352 Ca 0.00 -0.77 -0.26 0.00 0.31 0.00 0.00 61.69 60.97 1spu s THR 352 Cb 0.00 -1.64 -0.00 0.00 0.01 0.00 0.00 72.50 70.87 1spu s THR 352 CO 0.00 0.49 0.91 -0.54 -0.69 0.00 0.00 174.62 174.79 1spu s LYS 353 N 1.40 4.24 -0.16 4.92 1.02 -1.26 0.14 119.74 130.04 1spu s LYS 353 Ca 0.05 1.12 -0.04 0.00 0.02 0.00 0.00 55.97 57.13 1spu s LYS 353 Cb -0.13 -3.63 -0.03 0.00 -0.52 0.00 0.00 37.83 33.52 1spu s LYS 353 CO -0.12 -0.53 -0.04 1.03 -0.92 0.00 0.00 175.35 174.77 1spu s ARG 354 N 2.86 3.64 0.30 1.68 0.52 0.15 -4.88 118.95 123.22 1spu s ARG 354 Ca 0.39 -0.53 -0.30 0.00 -0.52 0.00 0.00 55.73 54.77 1spu s ARG 354 Cb -0.15 -2.91 -0.11 0.00 0.52 0.00 0.00 34.95 32.30 1spu s ARG 354 CO 0.08 0.22 1.56 0.15 0.02 0.00 0.00 175.30 177.32 1spu s LYS 355 N 0.42 4.14 0.04 3.54 1.02 -1.26 0.05 119.74 127.69 1spu s LYS 355 Ca -0.04 2.55 -0.00 0.00 0.02 0.00 0.00 55.97 58.49 1spu s LYS 355 Cb -0.14 -3.02 -0.00 0.00 -0.52 0.00 0.00 37.83 34.14 1spu s LYS 355 CO 0.03 -0.59 -0.00 0.28 -0.92 0.00 0.00 175.35 174.15 1spu n VAL 356 N 1.87 0.59 -3.66 3.17 0.31 0.22 -0.75 118.33 120.08 1spu n VAL 356 Ca 0.07 0.19 -0.16 0.00 -0.01 0.00 0.00 64.34 64.42 1spu n VAL 356 Cb 0.38 -1.55 -0.15 0.00 -0.91 0.00 0.00 33.84 31.61 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 -2.01 0.07 0.08 5.55 1.75 -0.50 -1.23 119.30 123.00 1spu s MET 357 Ca -0.00 0.58 -0.19 0.00 -1.25 0.00 0.00 55.69 54.83 1spu s MET 357 Cb 0.00 -0.28 -0.09 0.00 2.84 0.00 0.00 34.83 37.30 1spu s MET 357 CO 0.00 -0.32 1.49 -0.92 -0.65 0.00 0.00 175.02 174.63 1spu h TYR 358 N 8.35 0.46 -2.29 4.11 3.20 -1.42 0.52 116.97 129.89 1spu h TYR 358 Ca -0.13 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.58 1spu h TYR 358 Cb 1.12 -0.12 -0.23 0.00 1.54 0.00 0.00 36.73 39.05 1spu h TYR 358 CO 0.40 0.62 -0.04 -1.21 -1.64 0.00 0.00 178.16 176.28 1spu s GLU 359 N -4.89 0.66 -0.02 1.82 2.02 -1.23 -0.63 118.70 116.44 1spu s GLU 359 Ca -0.14 0.88 -0.00 0.00 0.02 0.00 0.00 54.97 55.73 1spu s GLU 359 Cb 0.07 0.27 0.02 0.00 0.10 0.00 0.00 34.13 34.59 1spu s GLU 359 CO 0.75 -0.10 0.03 0.20 0.02 0.00 0.00 175.26 176.15 1spu s GLY 360 N 0.63 0.07 0.08 -1.39 0.00 0.10 0.18 107.32 106.99 1spu s GLY 360 Ca -0.03 0.24 -0.02 0.00 0.00 0.00 0.00 44.72 44.92 1spu s GLY 360 CO -0.04 0.53 0.14 -1.14 0.00 0.00 0.00 173.10 172.59 1spu n SER 361 N 3.90 -0.39 -4.77 1.64 3.41 -0.75 -1.12 113.62 115.55 1spu n SER 361 Ca -0.24 -1.38 -0.38 0.00 -0.26 0.00 0.00 58.87 56.61 1spu n SER 361 Cb 0.53 0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 65.11 1spu n SER 361 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1spu s LEU 362 N 0.00 4.34 -0.10 1.04 2.96 -1.26 -2.05 118.68 123.61 1spu s LEU 362 Ca 0.05 2.06 -0.05 0.00 -0.22 0.00 0.00 54.13 55.97 1spu s LEU 362 Cb -0.01 -3.94 -0.02 0.00 0.50 0.00 0.00 46.19 42.73 1spu s LEU 362 CO 0.04 -0.25 -0.10 1.23 -1.32 0.00 0.00 176.35 175.94 1spu h GLY 363 N 3.16 0.00 -2.33 7.98 0.00 0.18 -3.41 103.07 108.65 1spu h GLY 363 Ca -0.47 0.00 0.32 0.00 0.00 0.00 0.00 47.33 47.17 1spu h GLY 363 CO 0.65 0.00 0.83 -0.32 0.00 0.00 0.00 176.54 177.70 1spu s GLY 364 N -3.69 -0.26 0.09 4.60 0.00 -0.97 -4.30 107.32 102.80 1spu s GLY 364 Ca -0.09 0.35 -0.16 0.00 0.00 0.00 0.00 44.72 44.82 1spu s GLY 364 CO 0.13 2.38 0.39 -3.16 0.00 0.00 0.00 173.10 172.83 1spu s MET 365 N -2.27 0.99 0.00 2.90 0.00 -1.26 -1.94 119.30 117.72 1spu s MET 365 Ca 0.20 -0.60 0.00 0.00 0.00 0.00 0.00 55.69 55.29 1spu s MET 365 Cb 0.02 0.44 -0.00 0.00 0.00 0.00 0.00 34.83 35.29 1spu s MET 365 CO -0.02 -0.37 -0.01 -1.50 0.00 0.00 0.00 175.02 173.12 1spu s ILE 366 N -3.33 0.11 -0.43 3.16 1.10 -0.23 -3.85 121.20 117.72 1spu s ILE 366 Ca 0.00 -0.11 0.02 0.00 -0.51 0.00 0.00 60.65 60.05 1spu s ILE 366 Cb 0.01 -0.11 0.13 0.00 0.15 0.00 0.00 42.46 42.64 1spu s ILE 366 CO -0.08 -0.00 0.22 -0.69 -2.11 0.00 0.00 174.94 172.28 1spu s VAL 367 N -0.11 1.45 -0.18 4.00 1.01 -0.14 -0.34 120.40 126.08 1spu s VAL 367 Ca -0.00 -2.49 -0.10 0.00 0.00 0.00 0.00 61.98 59.38 1spu s VAL 367 Cb -0.01 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1spu s VAL 367 CO -0.00 -0.86 0.15 -2.16 0.00 0.00 0.00 175.10 172.23 1spu s PRO 368 N 0.44 4.08 0.34 2.72 0.04 -1.22 -1.66 135.00 139.74 1spu s PRO 368 Ca 0.17 -0.17 -0.01 0.00 0.04 0.00 0.00 61.00 61.03 1spu s PRO 368 Cb -0.24 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 30.88 1spu s PRO 368 CO -0.02 0.37 0.56 0.71 0.04 0.00 0.00 177.00 178.66 1spu s TYR 369 N 0.15 3.50 -0.46 0.56 1.51 -0.79 -1.76 117.35 120.07 1spu s TYR 369 Ca 0.10 0.45 0.15 0.00 -1.01 0.00 0.00 57.07 56.76 1spu s TYR 369 Cb -0.11 -1.97 0.46 0.00 -0.11 0.00 0.00 41.96 40.22 1spu s TYR 369 CO -0.00 0.11 1.37 0.41 -1.11 0.00 0.00 175.55 176.33 1spu n GLY 370 N -1.57 3.55 3.72 0.71 0.00 -0.85 -4.94 105.19 105.80 1spu n GLY 370 Ca -0.04 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.56 6.04 0.00 1.61 -1.08 -1.26 -4.94 116.67 115.48 1spu s ASP 371 Ca 0.36 0.21 0.26 0.00 -0.52 0.00 0.00 52.55 52.86 1spu s ASP 371 Cb 0.26 -2.04 0.76 0.00 -1.46 0.00 0.00 42.92 40.45 1spu s ASP 371 CO 0.12 0.20 1.57 -0.81 0.52 0.00 0.00 175.17 176.77 1spu n PRO 372 N 3.37 0.85 -1.37 4.34 -0.04 -1.26 -1.40 135.00 139.49 1spu n PRO 372 Ca -0.17 -0.50 -0.33 0.00 -0.04 0.00 0.00 63.50 62.46 1spu n PRO 372 Cb 0.52 -1.49 0.09 0.00 -0.04 0.00 0.00 33.50 32.59 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 -2.49 4.22 0.25 3.54 1.11 -1.26 -4.39 116.67 117.65 1spu s ASP 373 Ca 0.25 2.20 -0.06 0.00 0.18 0.00 0.00 52.55 55.12 1spu s ASP 373 Cb 0.19 -2.57 0.46 0.00 1.07 0.00 0.00 42.92 42.08 1spu s ASP 373 CO 0.52 -2.24 1.63 0.16 1.18 0.00 0.00 175.17 176.42 1spu h ILE 374 N -0.55 0.31 -0.08 0.77 3.07 -1.99 0.29 117.51 119.34 1spu h ILE 374 Ca -0.46 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 65.91 1spu h ILE 374 Cb 1.27 0.20 0.00 0.00 -0.27 0.00 0.00 36.82 38.03 1spu h ILE 374 CO 0.49 0.02 0.00 0.61 -1.05 0.00 0.00 178.15 178.22 1spu n GLY 375 N -1.43 -0.30 0.12 0.16 0.00 -1.26 -4.45 105.19 98.03 1spu n GLY 375 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.19 0.00 -0.52 1.61 7.02 0.29 -4.83 117.44 120.81 1spu n TRP 376 Ca 0.16 0.00 0.42 0.00 -1.02 0.00 0.00 57.50 57.07 1spu n TRP 376 Cb 0.22 0.01 0.71 0.00 -2.42 0.00 0.00 31.31 29.83 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 0.37 0.00 -5.99 -0.00 0.67 0.77 116.97 112.79 1spu h TYR 377 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.75 1spu h TYR 377 Cb 0.80 -0.09 0.00 0.00 0.00 0.00 0.00 36.73 37.45 1spu h TYR 377 CO 0.00 -0.18 -0.53 1.97 -0.00 0.00 0.00 178.16 179.42 1spu n PHE 378 N -4.50 0.03 -1.89 0.10 1.16 -1.26 -4.90 117.46 106.19 1spu n PHE 378 Ca 0.40 0.01 -0.42 0.00 -1.87 0.00 0.00 57.45 55.57 1spu n PHE 378 Cb 1.63 -0.27 -0.03 0.00 -1.61 0.00 0.00 39.48 39.21 1spu n PHE 378 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1spu s LYS 379 N -3.01 3.06 -0.47 3.97 1.02 0.26 -4.59 119.74 119.98 1spu s LYS 379 Ca 0.11 1.40 0.06 0.00 0.02 0.00 0.00 55.97 57.55 1spu s LYS 379 Cb 0.17 -4.30 0.19 0.00 -0.52 0.00 0.00 37.83 33.37 1spu s LYS 379 CO 0.71 -2.18 0.58 0.00 -0.92 0.00 0.00 175.35 173.53 1spu n ALA 380 N 11.49 0.16 -2.43 5.17 0.00 -1.26 -1.88 120.51 131.76 1spu n ALA 380 Ca 0.25 -1.95 -0.43 0.00 0.00 0.00 0.00 53.44 51.32 1spu n ALA 380 Cb 0.48 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 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 0.47 2.71 -1.05 0.00 2.02 -0.66 -4.84 117.35 116.00 1spu s TYR 381 Ca 0.31 0.89 -0.04 0.00 -0.37 0.00 0.00 57.07 57.87 1spu s TYR 381 Cb 0.03 -3.87 0.30 0.00 -0.40 0.00 0.00 41.96 38.02 1spu s TYR 381 CO -0.12 -1.68 1.36 1.28 -1.57 0.00 0.00 175.55 174.82 1spu n LEU 382 N 7.52 6.05 -0.16 -1.29 4.77 -1.26 -0.97 117.00 131.66 1spu n LEU 382 Ca 0.15 -5.20 0.20 0.00 -0.03 0.00 0.00 56.01 51.12 1spu n LEU 382 Cb 0.46 -1.26 0.58 0.00 -2.33 0.00 0.00 43.42 40.87 1spu n LEU 382 CO 0.62 1.66 1.22 0.44 -1.33 0.00 0.00 177.39 180.00 1spu h ASP 383 N 5.57 0.25 0.01 -1.43 3.32 -1.92 0.31 116.42 122.53 1spu h ASP 383 Ca 0.20 0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.11 1spu h ASP 383 Cb 0.66 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1spu h ASP 383 CO 1.24 0.11 -0.87 0.77 -1.72 0.00 0.00 179.24 178.77 1spu h SER 384 N 0.26 0.03 -0.26 6.45 4.64 -1.84 -2.51 113.55 120.32 1spu h SER 384 Ca 0.39 -0.70 -0.08 0.00 -0.47 0.00 0.00 61.79 60.94 1spu h SER 384 Cb 1.15 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1spu h SER 384 CO -0.10 1.35 -0.14 1.23 -0.87 0.00 0.00 176.83 178.30 1spu h GLY 385 N -0.90 0.60 0.65 -0.77 0.00 -1.79 -2.54 103.07 98.32 1spu h GLY 385 Ca -0.23 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1spu h GLY 385 CO -0.12 0.50 -1.28 1.22 0.00 0.00 0.00 176.54 176.86 1spu n ASP 386 N -4.45 0.57 0.00 0.19 8.00 0.11 -4.62 116.55 116.35 1spu n ASP 386 Ca -0.04 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1spu n ASP 386 Cb 0.36 0.93 0.00 0.00 -0.02 0.00 0.00 41.12 42.40 1spu n ASP 386 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1spu n TYR 387 N -2.42 0.00 -1.97 1.24 4.02 -0.98 -1.47 117.16 115.58 1spu n TYR 387 Ca -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1spu n TYR 387 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 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 0.75 -3.25 0.19 2.72 0.00 -0.96 -4.81 105.19 99.84 1spu n GLY 388 Ca 0.00 0.05 -0.09 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 1.15 0.45 -0.56 1.61 2.86 -1.16 -2.35 114.93 116.93 1spu h MET 389 Ca 0.00 -0.32 -0.05 0.00 -2.06 0.00 0.00 59.70 57.27 1spu h MET 389 Cb 0.02 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1spu h MET 389 CO 0.04 0.95 0.17 0.78 1.06 0.00 0.00 176.91 179.91 1spu h GLY 390 N 1.20 0.93 1.00 8.32 0.00 -0.88 -2.43 103.07 111.22 1spu h GLY 390 Ca -0.01 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 1spu h GLY 390 CO 0.11 0.52 0.36 -0.84 0.00 0.00 0.00 176.54 176.69 1spu h THR 391 N 0.78 1.17 -0.09 4.70 2.02 -0.74 -2.70 112.91 118.06 1spu h THR 391 Ca 0.18 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1spu h THR 391 Cb 0.29 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1spu h THR 391 CO -0.00 0.18 0.00 0.18 0.37 0.00 0.00 175.52 176.24 1spu n LEU 392 N -4.63 1.29 -4.64 2.58 4.77 -0.89 -4.97 117.00 110.52 1spu n LEU 392 Ca 0.04 -0.65 -0.45 0.00 -0.03 0.00 0.00 56.01 54.91 1spu n LEU 392 Cb 0.05 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1spu n LEU 392 CO 0.36 0.25 0.84 0.41 -1.33 0.00 0.00 177.39 177.92 1spu n THR 393 N -0.01 1.26 -3.47 -5.08 -1.04 -0.93 -2.43 114.28 102.59 1spu n THR 393 Ca 0.04 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.05 61.31 1spu n THR 393 Cb 0.28 -1.24 -0.10 0.00 -1.82 0.00 0.00 70.33 67.45 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 -0.02 6.10 0.08 8.00 0.01 0.04 -4.85 113.70 123.07 1spu s SER 394 Ca 0.66 -0.69 -0.35 0.00 1.31 0.00 0.00 55.95 56.88 1spu s SER 394 Cb -0.70 -2.16 -0.15 0.00 0.21 0.00 0.00 66.02 63.22 1spu s SER 394 CO 0.54 -0.38 1.53 -2.65 0.41 0.00 0.00 173.24 172.69 1spu n PRO 395 N 5.19 1.74 -1.71 12.44 -0.02 -1.26 -4.50 135.00 146.88 1spu n PRO 395 Ca -0.11 0.63 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 1spu n PRO 395 Cb 0.48 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 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 3.34 0.48 -2.71 4.25 2.08 0.20 -4.91 119.36 122.09 1spu n ILE 396 Ca 0.19 -0.12 -0.42 0.00 0.56 0.00 0.00 62.75 62.96 1spu n ILE 396 Cb 0.24 -1.79 -0.03 0.00 -0.75 0.00 0.00 39.64 37.31 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 0.54 2.93 -0.22 -1.39 0.00 -1.26 -4.91 121.76 117.45 1spu s ALA 397 Ca 0.71 -1.61 -0.40 0.00 0.00 0.00 0.00 51.96 50.66 1spu s ALA 397 Cb -0.57 -4.06 -0.17 0.00 0.00 0.00 0.00 23.12 18.33 1spu s ALA 397 CO 0.42 -3.03 1.62 -2.13 0.00 0.00 0.00 175.76 172.63 1spu n ARG 398 N 8.53 0.97 0.00 0.00 0.63 -1.26 -1.11 116.66 124.42 1spu n ARG 398 Ca -0.00 0.35 0.00 0.00 -0.92 0.00 0.00 57.85 57.28 1spu n ARG 398 Cb 0.47 -2.00 0.00 0.00 0.45 0.00 0.00 32.46 31.38 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 3.71 3.05 0.39 5.14 0.00 -0.84 -4.77 105.19 111.87 1spu n GLY 399 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 0.41 0.21 1.61 5.02 -0.71 -4.46 118.16 118.24 1spu n LYS 400 Ca 0.00 0.18 0.10 0.00 -2.02 0.00 0.00 58.31 56.57 1spu n LYS 400 Cb 0.00 -1.19 0.24 0.00 -0.02 0.00 0.00 35.03 34.06 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 -0.70 0.00 -5.09 4.39 3.32 -1.42 -3.45 116.42 113.46 1spu h ASP 401 Ca -0.43 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.53 1spu h ASP 401 Cb 1.34 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.73 1spu h ASP 401 CO -0.26 0.14 -0.30 0.00 -1.72 0.00 0.00 179.24 177.10 1spu s ALA 402 N -3.26 -0.49 0.73 3.45 0.00 -1.25 -4.95 121.76 115.98 1spu s ALA 402 Ca 0.05 -0.26 -0.13 0.00 0.00 0.00 0.00 51.96 51.61 1spu s ALA 402 Cb 0.07 0.40 0.04 0.00 0.00 0.00 0.00 23.12 23.63 1spu s ALA 402 CO 0.67 -0.45 1.14 -1.25 0.00 0.00 0.00 175.76 175.86 1spu s PRO 403 N -3.09 2.29 0.47 0.00 0.04 -1.26 -2.00 135.00 131.46 1spu s PRO 403 Ca -0.01 1.46 0.26 0.00 0.04 0.00 0.00 61.00 62.76 1spu s PRO 403 Cb 0.01 -1.88 1.44 0.00 0.04 0.00 0.00 34.50 34.11 1spu s PRO 403 CO -0.07 -1.66 1.78 0.66 0.04 0.00 0.00 177.00 177.76 1spu h SER 404 N -0.52 0.00 -0.57 6.66 4.64 -1.87 -0.96 113.55 120.93 1spu h SER 404 Ca -0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 1spu h SER 404 Cb 1.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1spu h SER 404 CO 0.51 0.00 0.04 -0.46 -0.87 0.00 0.00 176.83 176.05 1spu n ASN 405 N -2.52 5.38 -4.92 4.97 6.94 -1.23 -4.88 115.26 119.00 1spu n ASN 405 Ca -0.02 -2.93 -0.26 0.00 -0.02 0.00 0.00 54.58 51.35 1spu n ASN 405 Cb 0.19 -0.69 0.01 0.00 -2.36 0.00 0.00 39.78 36.93 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 -2.71 3.46 -0.28 -2.53 0.00 -0.36 -4.64 121.76 114.69 1spu s ALA 406 Ca 0.52 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.70 1spu s ALA 406 Cb 0.40 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 21.06 1spu s ALA 406 CO 0.15 -0.52 0.04 0.08 0.00 0.00 0.00 175.76 175.51 1spu s VAL 407 N -2.78 3.67 -0.26 0.00 1.01 -0.52 -4.39 120.40 117.14 1spu s VAL 407 Ca 0.50 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1spu s VAL 407 Cb -0.10 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1spu s VAL 407 CO 0.43 0.11 0.17 -0.76 0.00 0.00 0.00 175.10 175.05 1spu s LEU 408 N 1.45 4.05 0.05 3.92 1.43 -1.26 -1.25 118.68 127.07 1spu s LEU 408 Ca 0.02 0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 1spu s LEU 408 Cb -0.17 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 1spu s LEU 408 CO 0.01 0.02 0.30 -0.76 0.23 0.00 0.00 176.35 176.14 1spu s LEU 409 N 1.34 4.35 0.02 1.79 1.43 0.17 -4.73 118.68 123.05 1spu s LEU 409 Ca 0.07 0.56 -0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1spu s LEU 409 Cb -0.15 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 1spu s LEU 409 CO 0.07 0.20 0.13 0.20 0.23 0.00 0.00 176.35 177.17 1spu s ASN 410 N -1.93 5.94 0.01 2.29 0.01 -1.26 0.39 114.94 120.39 1spu s ASN 410 Ca 0.31 0.19 0.01 0.00 -0.71 0.00 0.00 52.86 52.66 1spu s ASN 410 Cb -0.13 -1.75 -0.01 0.00 0.41 0.00 0.00 41.25 39.77 1spu s ASN 410 CO 0.19 0.23 -0.03 -1.61 -1.51 0.00 0.00 177.10 174.38 1spu s GLU 411 N -2.04 0.24 -0.11 -0.60 0.41 0.75 -4.90 118.70 112.45 1spu s GLU 411 Ca 0.27 -0.30 0.00 0.00 -0.41 0.00 0.00 54.97 54.54 1spu s GLU 411 Cb -0.12 -0.10 -0.02 0.00 -1.78 0.00 0.00 34.13 32.11 1spu s GLU 411 CO 0.19 0.02 -0.12 0.99 -0.49 0.00 0.00 175.26 175.84 1spu s THR 412 N -0.59 3.16 0.29 3.63 2.01 -1.26 0.21 115.64 123.09 1spu s THR 412 Ca -0.05 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1spu s THR 412 Cb -0.04 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 1spu s THR 412 CO -0.00 0.54 0.19 0.27 -0.69 0.00 0.00 174.62 174.93 1spu s ILE 413 N 0.04 0.13 -0.03 1.82 -4.36 -0.30 -4.90 121.20 113.60 1spu s ILE 413 Ca -0.04 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.20 1spu s ILE 413 Cb -0.14 -2.50 -0.05 0.00 1.25 0.00 0.00 42.46 41.01 1spu s ILE 413 CO 0.04 0.00 0.40 0.00 0.24 0.00 0.00 174.94 175.63 1spu s ALA 414 N -3.70 3.66 0.85 2.27 0.00 -1.26 -0.21 121.76 123.37 1spu s ALA 414 Ca 0.38 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.99 1spu s ALA 414 Cb 0.05 -2.42 0.15 0.00 0.00 0.00 0.00 23.12 20.90 1spu s ALA 414 CO 0.19 0.39 1.19 0.16 0.00 0.00 0.00 175.76 177.69 1spu s ASP 415 N -0.73 3.84 0.00 0.00 -4.77 -0.12 -4.88 116.67 110.01 1spu s ASP 415 Ca 0.23 0.25 0.11 0.00 -3.30 0.00 0.00 52.55 49.84 1spu s ASP 415 Cb -0.16 -0.52 0.49 0.00 -1.09 0.00 0.00 42.92 41.64 1spu s ASP 415 CO 0.12 -2.26 1.28 0.00 0.70 0.00 0.00 175.17 175.02 1spu n TYR 416 N -3.38 0.00 0.54 2.11 4.11 -1.26 -0.75 117.16 118.53 1spu n TYR 416 Ca 0.13 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 58.11 1spu n TYR 416 Cb 0.60 -0.39 0.09 0.00 -0.00 0.00 0.00 39.34 39.65 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 -1.39 0.16 -0.63 -3.48 -2.24 -1.26 0.09 114.28 105.53 1spu n THR 417 Ca 0.04 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1spu n THR 417 Cb 0.10 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 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 0.94 0.71 3.75 3.38 0.00 0.07 -4.87 105.19 109.16 1spu n GLY 418 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.26 5.31 0.42 1.61 1.01 -1.26 -4.58 120.40 120.65 1spu s VAL 419 Ca 0.00 0.50 -0.24 0.00 0.00 0.00 0.00 61.98 62.24 1spu s VAL 419 Cb 0.00 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 1spu s VAL 419 CO 0.00 0.42 1.04 -2.65 0.00 0.00 0.00 175.10 173.91 1spu n PRO 420 N 3.33 1.40 -3.63 2.72 -0.02 -1.26 -0.95 135.00 136.59 1spu n PRO 420 Ca -0.13 0.50 -0.21 0.00 -2.02 0.00 0.00 63.50 61.64 1spu n PRO 420 Cb 0.52 -2.07 -0.16 0.00 -0.02 0.00 0.00 33.50 31.76 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 -2.04 0.03 -0.24 -0.52 1.75 0.70 -4.78 119.30 114.21 1spu s MET 421 Ca 0.63 0.27 -0.13 0.00 -1.25 0.00 0.00 55.69 55.21 1spu s MET 421 Cb -0.55 -0.93 -0.05 0.00 2.84 0.00 0.00 34.83 36.14 1spu s MET 421 CO 0.57 -0.47 0.25 -2.00 -0.65 0.00 0.00 175.02 172.72 1spu s GLU 422 N 2.21 4.08 -0.27 4.11 2.12 -1.26 -1.15 118.70 128.54 1spu s GLU 422 Ca 0.04 -0.11 -0.16 0.00 0.36 0.00 0.00 54.97 55.10 1spu s GLU 422 Cb -0.14 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 1spu s GLU 422 CO -0.07 -0.03 0.41 0.42 -0.54 0.00 0.00 175.26 175.46 1spu s ILE 423 N 1.31 5.14 0.23 -3.70 1.01 0.58 -4.90 121.20 120.86 1spu s ILE 423 Ca 0.11 0.61 -0.30 0.00 0.00 0.00 0.00 60.65 61.08 1spu s ILE 423 Cb -0.14 -3.74 -0.09 0.00 0.01 0.00 0.00 42.46 38.50 1spu s ILE 423 CO 0.07 0.12 1.06 -2.16 0.00 0.00 0.00 174.94 174.02 1spu s PRO 424 N 2.14 4.67 -1.52 2.79 0.04 -1.26 -0.18 135.00 141.68 1spu s PRO 424 Ca 0.16 1.69 -0.10 0.00 0.04 0.00 0.00 61.00 62.80 1spu s PRO 424 Cb -0.16 -3.25 0.07 0.00 0.04 0.00 0.00 34.50 31.21 1spu s PRO 424 CO 0.10 0.22 0.77 0.54 0.04 0.00 0.00 177.00 178.68 1spu n ARG 425 N 1.75 -4.36 -0.07 4.56 1.74 -1.09 -4.34 116.66 114.86 1spu n ARG 425 Ca 0.00 0.50 -0.11 0.00 -0.77 0.00 0.00 57.85 57.48 1spu n ARG 425 Cb 0.46 -5.14 -0.04 0.00 -1.02 0.00 0.00 32.46 26.72 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 0.91 0.30 -4.06 7.54 0.00 -0.12 0.58 119.26 124.41 1spu h ALA 426 Ca -0.60 -0.16 -0.56 0.00 0.00 0.00 0.00 54.91 53.59 1spu h ALA 426 Cb 1.38 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 18.77 1spu h ALA 426 CO 0.68 -0.04 -0.84 0.42 0.00 0.00 0.00 179.25 179.46 1spu s ILE 427 N -5.28 1.42 -0.16 0.00 1.01 -1.08 -4.44 121.20 112.67 1spu s ILE 427 Ca -0.14 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.71 1spu s ILE 427 Cb 0.07 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 1spu s ILE 427 CO 0.73 0.41 0.07 0.00 0.00 0.00 0.00 174.94 176.14 1spu s ALA 428 N -0.13 3.48 -0.17 9.38 0.00 0.71 -0.66 121.76 134.38 1spu s ALA 428 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1spu s ALA 428 Cb -0.10 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1spu s ALA 428 CO 0.01 0.29 -0.16 0.08 0.00 0.00 0.00 175.76 175.98 1spu s VAL 429 N 0.03 2.55 -0.18 0.00 1.01 -0.38 0.12 120.40 123.55 1spu s VAL 429 Ca 0.06 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 1spu s VAL 429 Cb -0.12 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.23 1spu s VAL 429 CO 0.01 0.51 0.52 0.72 0.00 0.00 0.00 175.10 176.86 1spu s PHE 430 N 1.01 -0.56 0.09 5.22 -0.71 0.46 -1.43 117.98 122.06 1spu s PHE 430 Ca -0.02 1.32 -0.09 0.00 -1.04 0.00 0.00 56.93 57.11 1spu s PHE 430 Cb -0.15 0.21 -0.06 0.00 -1.21 0.00 0.00 43.02 41.81 1spu s PHE 430 CO -0.04 -0.31 0.39 -2.00 -1.34 0.00 0.00 175.22 171.92 1spu s GLU 431 N 0.07 3.72 0.02 1.99 2.12 -1.26 0.57 118.70 125.93 1spu s GLU 431 Ca -0.02 0.11 -0.06 0.00 0.36 0.00 0.00 54.97 55.35 1spu s GLU 431 Cb -0.04 -2.96 -0.00 0.00 0.26 0.00 0.00 34.13 31.39 1spu s GLU 431 CO 0.02 0.54 0.12 -0.98 -0.54 0.00 0.00 175.26 174.42 1spu s ARG 432 N -2.07 0.53 -0.04 4.30 1.70 0.19 -4.95 118.95 118.61 1spu s ARG 432 Ca 0.34 -0.57 -0.30 0.00 -0.47 0.00 0.00 55.73 54.74 1spu s ARG 432 Cb -0.13 0.22 -0.03 0.00 -0.57 0.00 0.00 34.95 34.43 1spu s ARG 432 CO 0.19 -0.13 1.18 -0.47 -1.08 0.00 0.00 175.30 174.99 1spu s TYR 433 N -1.96 3.26 -0.37 5.89 5.04 -1.26 -1.55 117.35 126.40 1spu s TYR 433 Ca -0.10 1.27 0.08 0.00 -2.44 0.00 0.00 57.07 55.88 1spu s TYR 433 Cb -0.05 -3.39 0.44 0.00 0.35 0.00 0.00 41.96 39.31 1spu s TYR 433 CO -0.01 -1.19 1.11 0.00 -1.34 0.00 0.00 175.55 174.12 1spu n ALA 434 N 4.99 4.69 -0.27 3.97 0.00 0.16 -4.96 120.51 129.09 1spu n ALA 434 Ca 0.10 -3.92 0.00 0.00 0.00 0.00 0.00 53.44 49.62 1spu n ALA 434 Cb 0.47 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.50 -1.67 3.72 0.00 0.00 -1.26 -4.62 105.19 100.86 1spu n GLY 435 Ca 0.35 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 4.52 0.09 1.61 0.04 -1.26 0.11 135.00 140.11 1spu s PRO 436 Ca 0.00 1.71 -0.19 0.00 0.04 0.00 0.00 61.00 62.56 1spu s PRO 436 Cb 0.00 -3.32 -0.08 0.00 0.04 0.00 0.00 34.50 31.13 1spu s PRO 436 CO 0.00 -0.08 1.56 1.49 0.04 0.00 0.00 177.00 180.01 1spu h GLU 437 N 5.98 0.38 -2.97 4.56 4.57 -0.83 -3.42 114.58 122.85 1spu h GLU 437 Ca -0.43 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 57.63 1spu h GLU 437 Cb 1.21 -0.05 -0.12 0.00 -0.16 0.00 0.00 28.75 29.63 1spu h GLU 437 CO 0.76 0.51 0.19 1.52 -1.18 0.00 0.00 179.01 180.81 1spu s TYR 438 N -5.21 -0.53 -0.21 0.92 -0.85 -1.24 -4.95 117.35 105.28 1spu s TYR 438 Ca -0.14 0.35 -0.27 0.00 -0.52 0.00 0.00 57.07 56.49 1spu s TYR 438 Cb 0.07 0.53 0.07 0.00 0.38 0.00 0.00 41.96 43.02 1spu s TYR 438 CO 0.73 -0.83 0.71 0.21 -1.52 0.00 0.00 175.55 174.85 1spu s LYS 439 N -3.61 0.90 -0.22 -3.49 2.20 -1.26 -2.01 119.74 112.24 1spu s LYS 439 Ca 0.00 0.78 -0.04 0.00 -0.36 0.00 0.00 55.97 56.36 1spu s LYS 439 Cb -0.01 0.43 0.11 0.00 -1.51 0.00 0.00 37.83 36.86 1spu s LYS 439 CO -0.12 -0.17 0.34 -1.58 -0.36 0.00 0.00 175.35 173.47 1spu s HIS 440 N -0.08 -0.68 -0.96 4.03 2.46 0.06 -5.02 115.29 115.11 1spu s HIS 440 Ca -0.03 0.82 -0.06 0.00 0.47 0.00 0.00 55.06 56.25 1spu s HIS 440 Cb -0.04 -0.02 0.24 0.00 -0.13 0.00 0.00 32.58 32.63 1spu s HIS 440 CO 0.04 -0.63 0.89 -1.14 -2.47 0.00 0.00 174.74 171.42 1spu s GLN 441 N 2.50 3.65 0.19 2.88 2.00 -1.26 -1.43 119.66 128.19 1spu s GLN 441 Ca 0.09 -3.10 -0.31 0.00 -2.00 0.00 0.00 55.36 50.03 1spu s GLN 441 Cb -0.15 -4.25 -0.10 0.00 0.80 0.00 0.00 33.01 29.31 1spu s GLN 441 CO -0.14 -1.25 1.56 -2.00 -0.50 0.00 0.00 175.29 172.96 1spu s GLU 442 N -1.04 4.21 0.09 1.67 2.56 -1.26 -4.87 118.70 120.07 1spu s GLU 442 Ca 0.27 2.39 -0.34 0.00 0.00 0.00 0.00 54.97 57.28 1spu s GLU 442 Cb -0.10 -3.13 -0.14 0.00 2.00 0.00 0.00 34.13 32.77 1spu s GLU 442 CO -0.09 -0.59 1.61 -0.12 -0.56 0.00 0.00 175.26 175.51 1spu n MET 443 N 3.51 2.01 -1.10 4.30 0.00 -1.26 -0.89 117.12 123.70 1spu n MET 443 Ca 0.12 0.73 -0.03 0.00 -0.00 0.00 0.00 57.70 58.52 1spu n MET 443 Cb 0.38 -2.49 -0.01 0.00 0.00 0.00 0.00 33.22 31.09 1spu n MET 443 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1spu n GLY 444 N 3.51 0.59 3.43 -5.12 0.00 -1.26 -5.00 105.19 101.35 1spu n GLY 444 Ca 0.18 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.60 1.57 0.27 1.61 -1.52 -0.07 -5.11 119.66 114.82 1spu s GLN 445 Ca 0.00 -1.74 -0.30 0.00 -1.95 0.00 0.00 55.36 51.37 1spu s GLN 445 Cb 0.00 -1.47 -0.10 0.00 -0.22 0.00 0.00 33.01 31.22 1spu s GLN 445 CO 0.00 0.22 1.46 -2.14 -0.25 0.00 0.00 175.29 174.58 1spu s PRO 446 N -3.60 4.23 0.75 2.91 0.02 -1.26 -4.56 135.00 133.50 1spu s PRO 446 Ca 0.28 2.37 -0.15 0.00 0.02 0.00 0.00 61.00 63.52 1spu s PRO 446 Cb -0.01 -3.08 0.05 0.00 0.02 0.00 0.00 34.50 31.48 1spu s PRO 446 CO 0.12 -0.45 1.24 1.21 -0.33 0.00 0.00 177.00 178.79 1spu s ASN 447 N 0.30 3.92 -0.21 2.53 3.84 -1.26 -4.63 114.94 119.43 1spu s ASN 447 Ca 0.59 2.46 -0.00 0.00 0.21 0.00 0.00 52.86 56.12 1spu s ASN 447 Cb -0.43 -2.60 0.06 0.00 -0.55 0.00 0.00 41.25 37.72 1spu s ASN 447 CO 0.46 -2.45 -0.04 -0.69 -2.79 0.00 0.00 177.10 171.59 1spu s VAL 448 N -1.88 1.28 0.01 -5.21 1.01 -0.52 -5.03 120.40 110.06 1spu s VAL 448 Ca 0.77 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1spu s VAL 448 Cb -0.32 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1spu s VAL 448 CO 0.47 -0.07 0.01 -0.44 0.00 0.00 0.00 175.10 175.07 1spu s SER 449 N 1.52 0.12 0.02 3.32 0.01 -1.26 -0.76 113.70 116.67 1spu s SER 449 Ca -0.04 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1spu s SER 449 Cb -0.18 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.13 1spu s SER 449 CO -0.07 -0.20 -0.03 0.42 0.41 0.00 0.00 173.24 173.77 1spu s THR 450 N -0.91 0.11 0.24 1.44 -4.23 -0.85 -5.01 115.64 106.41 1spu s THR 450 Ca -0.10 -0.82 -0.06 0.00 -1.18 0.00 0.00 61.69 59.53 1spu s THR 450 Cb -0.06 -0.24 -0.06 0.00 1.34 0.00 0.00 72.50 73.48 1spu s THR 450 CO -0.00 -0.45 0.51 -1.83 -0.54 0.00 0.00 174.62 172.31 1spu s GLU 451 N -1.31 3.68 -0.09 3.99 -1.05 -1.26 -0.29 118.70 122.37 1spu s GLU 451 Ca -0.14 0.06 -0.10 0.00 -0.15 0.00 0.00 54.97 54.63 1spu s GLU 451 Cb -0.09 -2.69 -0.05 0.00 -0.44 0.00 0.00 34.13 30.86 1spu s GLU 451 CO -0.01 0.31 0.24 0.50 0.95 0.00 0.00 175.26 177.25 1spu s ARG 452 N -3.12 3.72 -0.05 -4.83 3.52 0.31 -4.25 118.95 114.25 1spu s ARG 452 Ca 0.44 0.07 0.05 0.00 -0.13 0.00 0.00 55.73 56.16 1spu s ARG 452 Cb -0.11 -3.24 -0.01 0.00 -1.56 0.00 0.00 34.95 30.04 1spu s ARG 452 CO 0.26 0.67 -0.20 1.03 -0.81 0.00 0.00 175.30 176.25 1spu s ARG 453 N -0.82 2.02 -0.02 5.12 1.81 -1.26 0.40 118.95 126.20 1spu s ARG 453 Ca 0.18 -0.72 0.03 0.00 -1.72 0.00 0.00 55.73 53.50 1spu s ARG 453 Cb -0.14 -1.76 -0.01 0.00 -0.45 0.00 0.00 34.95 32.60 1spu s ARG 453 CO 0.07 0.31 -0.11 -1.21 -0.68 0.00 0.00 175.30 173.67 1spu s GLU 454 N -0.07 1.00 -0.31 3.54 2.02 -0.59 -2.70 118.70 121.58 1spu s GLU 454 Ca -0.03 -0.40 -0.11 0.00 0.02 0.00 0.00 54.97 54.45 1spu s GLU 454 Cb -0.12 -0.95 -0.02 0.00 0.10 0.00 0.00 34.13 33.14 1spu s GLU 454 CO 0.02 0.22 0.19 -1.17 0.02 0.00 0.00 175.26 174.54 1spu s LEU 455 N -0.14 4.22 -0.12 1.80 2.96 -0.21 0.54 118.68 127.73 1spu s LEU 455 Ca 0.02 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 1spu s LEU 455 Cb -0.06 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 1spu s LEU 455 CO -0.00 -0.17 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.17 1spu s VAL 456 N 1.69 4.26 -0.36 1.68 1.01 0.19 -0.16 120.40 128.71 1spu s VAL 456 Ca 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 1spu s VAL 456 Cb -0.17 -2.83 0.08 0.00 0.00 0.00 0.00 36.38 33.47 1spu s VAL 456 CO 0.09 0.55 0.11 -0.69 0.00 0.00 0.00 175.10 175.17 1spu s VAL 457 N -0.35 3.12 -0.14 2.92 1.01 -0.20 -0.40 120.40 126.36 1spu s VAL 457 Ca 0.07 -1.80 -0.03 0.00 0.00 0.00 0.00 61.98 60.21 1spu s VAL 457 Cb -0.12 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1spu s VAL 457 CO 0.02 -0.46 -0.03 -0.60 0.00 0.00 0.00 175.10 174.03 1spu s ARG 458 N 1.17 3.51 -0.06 2.72 3.52 0.12 -0.70 118.95 129.23 1spu s ARG 458 Ca 0.03 -0.50 0.02 0.00 -0.13 0.00 0.00 55.73 55.14 1spu s ARG 458 Cb -0.21 -2.87 0.02 0.00 -1.56 0.00 0.00 34.95 30.32 1spu s ARG 458 CO -0.03 0.34 -0.09 -0.46 -0.81 0.00 0.00 175.30 174.25 1spu s TRP 459 N 0.09 1.19 -0.08 5.12 -0.00 0.13 -0.21 118.94 125.18 1spu s TRP 459 Ca -0.00 -0.43 0.04 0.00 -0.00 0.00 0.00 56.10 55.71 1spu s TRP 459 Cb -0.13 -0.93 -0.02 0.00 -0.00 0.00 0.00 33.47 32.39 1spu s TRP 459 CO 0.03 -0.27 -0.19 0.42 -0.00 0.00 0.00 176.95 176.94 1spu s ILE 460 N 0.86 2.58 -0.03 5.86 1.01 -1.26 0.57 121.20 130.80 1spu s ILE 460 Ca -0.11 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1spu s ILE 460 Cb -0.15 -2.00 0.01 0.00 0.01 0.00 0.00 42.46 40.32 1spu s ILE 460 CO 0.01 0.56 -0.08 -0.55 0.00 0.00 0.00 174.94 174.88 1spu s SER 461 N -0.15 1.15 -0.12 3.58 0.15 0.69 -0.78 113.70 118.21 1spu s SER 461 Ca -0.02 -0.18 0.03 0.00 0.70 0.00 0.00 55.95 56.48 1spu s SER 461 Cb -0.14 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 1spu s SER 461 CO 0.04 0.05 -0.22 -0.89 1.20 0.00 0.00 173.24 173.41 1spu s THR 462 N 0.29 2.13 -0.17 6.45 2.01 -1.02 -0.49 115.64 124.84 1spu s THR 462 Ca -0.05 -0.97 -0.03 0.00 0.31 0.00 0.00 61.69 60.96 1spu s THR 462 Cb -0.09 -1.84 0.05 0.00 0.01 0.00 0.00 72.50 70.64 1spu s THR 462 CO 0.01 0.55 0.03 -0.69 -0.69 0.00 0.00 174.62 173.82 1spu s VAL 463 N 0.60 0.52 0.00 3.82 1.01 -1.26 -4.81 120.40 120.28 1spu s VAL 463 Ca -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1spu s VAL 463 Cb -0.17 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1spu s VAL 463 CO 0.03 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.62 1spu n GLY 464 N 5.06 2.54 2.19 4.51 0.00 -1.26 -4.77 105.19 113.46 1spu n GLY 464 Ca -0.09 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 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 6.28 6.40 -3.22 1.61 6.94 -1.26 -5.01 115.26 127.00 1spu n ASN 465 Ca 0.00 -2.68 0.04 0.00 -0.02 0.00 0.00 54.58 51.92 1spu n ASN 465 Cb 0.00 -1.41 -0.03 0.00 -2.36 0.00 0.00 39.78 35.98 1spu n ASN 465 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1spu s ASP 467 N 1.62 -0.28 -0.19 0.53 1.11 0.08 -1.29 116.67 118.25 1spu s ASP 467 Ca 0.65 0.29 -0.05 0.00 0.18 0.00 0.00 52.55 53.62 1spu s ASP 467 Cb 0.29 1.28 -0.03 0.00 1.07 0.00 0.00 42.92 45.54 1spu s ASP 467 CO -0.06 -0.05 0.01 -0.31 1.18 0.00 0.00 175.17 175.94 1spu s TYR 468 N 2.50 3.08 -0.11 4.23 2.02 0.36 -1.49 117.35 127.94 1spu s TYR 468 Ca -0.02 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.38 1spu s TYR 468 Cb -0.05 -2.07 -0.02 0.00 -0.40 0.00 0.00 41.96 39.42 1spu s TYR 468 CO -0.14 -0.13 -0.14 0.42 -1.57 0.00 0.00 175.55 173.99 1spu s ILE 469 N 0.80 2.97 -0.10 2.71 1.01 -0.53 -0.22 121.20 127.84 1spu s ILE 469 Ca 0.01 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1spu s ILE 469 Cb -0.14 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.12 1spu s ILE 469 CO 0.02 0.54 -0.12 -0.36 0.00 0.00 0.00 174.94 175.02 1spu s PHE 470 N 0.13 1.67 -0.17 3.97 0.40 0.19 -0.67 117.98 123.51 1spu s PHE 470 Ca -0.07 -0.76 0.01 0.00 -0.60 0.00 0.00 56.93 55.51 1spu s PHE 470 Cb -0.15 -1.26 0.01 0.00 0.51 0.00 0.00 43.02 42.13 1spu s PHE 470 CO 0.05 -0.43 -0.17 -0.51 0.70 0.00 0.00 175.22 174.86 1spu s ASP 471 N 1.10 3.46 -0.45 1.36 1.01 -0.11 -0.70 116.67 122.35 1spu s ASP 471 Ca -0.06 -0.54 -0.11 0.00 0.71 0.00 0.00 52.55 52.56 1spu s ASP 471 Cb -0.14 -1.53 0.09 0.00 1.01 0.00 0.00 42.92 42.34 1spu s ASP 471 CO -0.02 0.05 0.32 0.26 0.21 0.00 0.00 175.17 175.99 1spu s TRP 472 N 1.01 3.34 -0.39 4.23 0.52 0.13 -1.23 118.94 126.55 1spu s TRP 472 Ca -0.02 -1.50 -0.14 0.00 0.02 0.00 0.00 56.10 54.47 1spu s TRP 472 Cb -0.15 -3.19 0.01 0.00 -1.15 0.00 0.00 33.47 29.00 1spu s TRP 472 CO -0.04 -0.89 0.27 0.42 0.02 0.00 0.00 176.95 176.73 1spu s ILE 473 N 1.46 5.14 -0.31 2.03 1.01 0.13 -1.03 121.20 129.61 1spu s ILE 473 Ca 0.04 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.90 1spu s ILE 473 Cb -0.25 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 1spu s ILE 473 CO 0.02 -0.24 0.49 -0.36 0.00 0.00 0.00 174.94 174.85 1spu s PHE 474 N 1.67 3.21 0.06 3.97 0.40 0.77 -0.45 117.98 127.60 1spu s PHE 474 Ca 0.05 0.33 -0.17 0.00 -0.60 0.00 0.00 56.93 56.53 1spu s PHE 474 Cb -0.19 -2.82 -0.06 0.00 0.51 0.00 0.00 43.02 40.46 1spu s PHE 474 CO 0.09 -0.43 0.51 -1.01 0.70 0.00 0.00 175.22 175.09 1spu s HIS 475 N 2.32 3.76 0.51 0.36 3.76 -0.18 -1.04 115.29 124.78 1spu s HIS 475 Ca 0.19 1.16 0.19 0.00 -0.15 0.00 0.00 55.06 56.45 1spu s HIS 475 Cb -0.16 -2.42 1.32 0.00 1.11 0.00 0.00 32.58 32.44 1spu s HIS 475 CO 0.12 0.59 2.13 0.93 -0.85 0.00 0.00 174.74 177.66 1spu h GLU 476 N 4.50 0.00 0.00 1.40 5.08 -1.81 -2.06 114.58 121.69 1spu h GLU 476 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1spu h GLU 476 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1spu h GLU 476 CO 0.63 0.05 0.00 0.27 -1.00 0.00 0.00 179.01 178.96 1spu n ASN 477 N -4.30 0.00 0.00 1.42 2.04 -1.26 -4.80 115.26 108.36 1spu n ASN 477 Ca -0.03 -0.75 0.00 0.00 -0.44 0.00 0.00 54.58 53.36 1spu n ASN 477 Cb 0.14 -0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.37 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 0.57 1.36 3.78 4.83 0.00 -0.77 -4.73 105.19 110.22 1spu n GLY 478 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.25 3.44 -0.10 2.61 2.01 -1.26 -4.45 115.64 115.63 1spu s THR 479 Ca 0.00 0.98 0.02 0.00 0.31 0.00 0.00 61.69 63.01 1spu s THR 479 Cb 0.00 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 69.07 1spu s THR 479 CO 0.00 -0.11 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.03 1spu s ILE 480 N -1.74 1.57 0.10 1.82 1.01 0.66 -1.01 121.20 123.59 1spu s ILE 480 Ca 0.66 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 60.66 1spu s ILE 480 Cb -0.23 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1spu s ILE 480 CO 0.27 0.45 -0.04 -0.83 0.00 0.00 0.00 174.94 174.79 1spu s GLY 481 N 0.79 1.87 -0.17 6.18 0.00 0.40 0.06 107.32 116.44 1spu s GLY 481 Ca -0.11 -1.17 -0.05 0.00 0.00 0.00 0.00 44.72 43.39 1spu s GLY 481 CO 0.01 -1.15 0.10 -0.42 0.00 0.00 0.00 173.10 171.64 1spu s ILE 482 N -1.27 -0.10 0.12 0.90 1.01 -0.97 -0.70 121.20 120.19 1spu s ILE 482 Ca 0.24 -0.16 0.07 0.00 0.00 0.00 0.00 60.65 60.79 1spu s ILE 482 Cb -0.11 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 1spu s ILE 482 CO 0.16 -0.28 -0.08 -1.81 0.00 0.00 0.00 174.94 172.93 1spu s ASP 483 N 2.15 4.49 -0.08 3.58 1.11 -0.36 -1.42 116.67 126.14 1spu s ASP 483 Ca 0.02 -0.39 -0.00 0.00 0.18 0.00 0.00 52.55 52.37 1spu s ASP 483 Cb -0.16 -0.88 0.02 0.00 1.07 0.00 0.00 42.92 42.97 1spu s ASP 483 CO -0.10 0.16 -0.05 0.00 1.18 0.00 0.00 175.17 176.36 1spu s ALA 484 N -1.34 0.99 0.05 5.23 0.00 -0.68 -0.93 121.76 125.08 1spu s ALA 484 Ca 0.23 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.92 1spu s ALA 484 Cb -0.11 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1spu s ALA 484 CO 0.15 -0.28 0.03 0.20 0.00 0.00 0.00 175.76 175.86 1spu s GLY 485 N 1.49 1.94 -0.09 0.00 0.00 0.16 -1.54 107.32 109.28 1spu s GLY 485 Ca -0.01 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1spu s GLY 485 CO -0.04 -0.95 -0.07 0.00 0.00 0.00 0.00 173.10 172.04 1spu s ALA 486 N -1.25 1.13 0.32 3.20 0.00 0.13 -1.45 121.76 123.83 1spu s ALA 486 Ca 0.24 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.83 1spu s ALA 486 Cb -0.12 -0.77 -0.00 0.00 0.00 0.00 0.00 23.12 22.23 1spu s ALA 486 CO 0.16 -0.29 0.38 -2.37 0.00 0.00 0.00 175.76 173.65 1spu n THR 487 N 4.69 0.00 0.00 0.00 5.66 -0.55 -1.11 114.28 122.96 1spu n THR 487 Ca -0.15 -1.85 0.00 0.00 -3.05 0.00 0.00 64.05 59.00 1spu n THR 487 Cb 0.50 1.05 0.00 0.00 -1.55 0.00 0.00 70.33 70.33 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 -0.55 0.26 3.33 1.09 0.00 -1.26 -0.74 105.19 107.32 1spu n GLY 488 Ca 0.03 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.92 2.26 0.34 -0.61 -1.09 -0.41 -0.07 121.20 120.69 1spu s ILE 489 Ca 0.00 -1.02 -0.26 0.00 -2.23 0.00 0.00 60.65 57.14 1spu s ILE 489 Cb 0.00 -1.82 -0.09 0.00 -1.58 0.00 0.00 42.46 38.97 1spu s ILE 489 CO 0.00 0.58 1.02 -1.61 -1.23 0.00 0.00 174.94 173.70 1spu s GLU 490 N -0.47 4.44 -0.41 2.79 2.02 -1.26 -4.72 118.70 121.09 1spu s GLU 490 Ca 0.06 1.53 -0.29 0.00 0.02 0.00 0.00 54.97 56.28 1spu s GLU 490 Cb -0.11 -2.82 0.02 0.00 0.10 0.00 0.00 34.13 31.31 1spu s GLU 490 CO 0.01 0.11 1.29 0.00 0.02 0.00 0.00 175.26 176.68 1spu s ALA 491 N -1.50 3.15 0.29 5.21 0.00 -1.26 -4.93 121.76 122.74 1spu s ALA 491 Ca 0.51 -0.22 0.09 0.00 0.00 0.00 0.00 51.96 52.34 1spu s ALA 491 Cb -0.24 -3.89 -0.04 0.00 0.00 0.00 0.00 23.12 18.95 1spu s ALA 491 CO 0.30 -2.21 0.09 0.14 0.00 0.00 0.00 175.76 174.07 1spu s VAL 492 N 4.86 3.43 -0.15 0.00 -7.23 -1.26 -3.73 120.40 116.32 1spu s VAL 492 Ca 0.55 -1.75 -0.01 0.00 -1.81 0.00 0.00 61.98 58.96 1spu s VAL 492 Cb -0.12 -2.98 -0.02 0.00 0.56 0.00 0.00 36.38 33.82 1spu s VAL 492 CO 0.30 -0.29 -0.10 -0.75 -0.31 0.00 0.00 175.10 173.94 1spu s LYS 493 N -3.77 3.44 0.21 4.82 2.20 -0.78 -4.85 119.74 121.01 1spu s LYS 493 Ca 0.34 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 55.01 1spu s LYS 493 Cb -0.05 -2.73 -0.08 0.00 -1.51 0.00 0.00 37.83 33.45 1spu s LYS 493 CO 0.22 0.16 1.00 0.20 -0.36 0.00 0.00 175.35 176.57 1spu s GLY 494 N 0.51 3.04 0.05 5.54 0.00 -1.26 -1.44 107.32 113.76 1spu s GLY 494 Ca -0.07 0.69 -0.01 0.00 0.00 0.00 0.00 44.72 45.33 1spu s GLY 494 CO 0.04 1.39 -0.02 -1.34 0.00 0.00 0.00 173.10 173.16 1spu s VAL 495 N -0.75 0.21 -0.01 1.40 -7.23 -0.21 -4.86 120.40 108.95 1spu s VAL 495 Ca 0.44 -1.74 0.14 0.00 -1.81 0.00 0.00 61.98 59.01 1spu s VAL 495 Cb -0.27 -1.45 0.00 0.00 0.56 0.00 0.00 36.38 35.23 1spu s VAL 495 CO 0.34 -0.96 1.46 0.11 -0.31 0.00 0.00 175.10 175.74 1spu h LYS 496 N 3.22 0.00 -6.75 4.82 1.57 -1.94 -3.39 116.57 114.11 1spu h LYS 496 Ca -0.34 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.92 1spu h LYS 496 Cb 1.15 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.49 1spu h LYS 496 CO 0.64 0.61 0.61 0.00 -0.57 0.00 0.00 179.45 180.74 1spu s ALA 497 N -3.04 3.49 -0.24 3.86 0.00 -1.26 -4.82 121.76 119.75 1spu s ALA 497 Ca 0.02 1.10 -0.03 0.00 0.00 0.00 0.00 51.96 53.05 1spu s ALA 497 Cb 0.09 -3.45 -0.18 0.00 0.00 0.00 0.00 23.12 19.58 1spu s ALA 497 CO 0.75 -0.49 -0.12 1.63 0.00 0.00 0.00 175.76 177.53 1spu n LYS 498 N 1.95 0.66 -4.45 0.00 5.02 -1.26 -0.72 118.16 119.36 1spu n LYS 498 Ca 0.03 0.20 -0.22 0.00 -2.02 0.00 0.00 58.31 56.31 1spu n LYS 498 Cb 0.43 -1.56 -0.11 0.00 -0.02 0.00 0.00 35.03 33.78 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 -2.52 1.23 -1.09 -0.18 -4.23 -1.26 -4.12 115.64 103.47 1spu s THR 499 Ca -0.33 -2.01 0.19 0.00 -1.18 0.00 0.00 61.69 58.37 1spu s THR 499 Cb 0.09 -2.78 0.20 0.00 1.34 0.00 0.00 72.50 71.35 1spu s THR 499 CO 0.62 -0.02 1.62 0.23 -0.54 0.00 0.00 174.62 176.52 1spu n MET 500 N -0.68 0.06 -0.20 3.99 2.81 -1.26 -2.29 117.12 119.55 1spu n MET 500 Ca -0.02 0.15 0.08 0.00 -1.81 0.00 0.00 57.70 56.10 1spu n MET 500 Cb 0.66 -1.50 0.23 0.00 -0.71 0.00 0.00 33.22 31.91 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 -1.46 0.53 -3.10 2.03 8.25 -1.26 -4.77 115.22 115.44 1spu n HIS 501 Ca 0.06 -0.27 -0.30 0.00 -0.26 0.00 0.00 57.72 56.95 1spu n HIS 501 Cb 0.21 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 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 -1.13 6.50 0.21 0.41 1.01 -0.97 -4.98 116.67 117.73 1spu s ASP 502 Ca 0.31 0.95 -0.11 0.00 0.71 0.00 0.00 52.55 54.41 1spu s ASP 502 Cb 0.17 -2.24 0.28 0.00 1.01 0.00 0.00 42.92 42.14 1spu s ASP 502 CO 0.22 -0.29 1.66 -0.33 0.21 0.00 0.00 175.17 176.64 1spu h GLU 503 N 1.54 0.09 0.00 8.23 5.08 -1.91 0.63 114.58 128.24 1spu h GLU 503 Ca -0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1spu h GLU 503 Cb 1.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1spu h GLU 503 CO 0.65 0.06 -0.19 0.25 -1.00 0.00 0.00 179.01 178.78 1spu n THR 504 N -5.31 0.07 -0.34 1.13 -2.24 -1.26 -4.34 114.28 101.99 1spu n THR 504 Ca 0.09 -0.04 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 1spu n THR 504 Cb 0.35 -0.26 0.23 0.00 -2.10 0.00 0.00 70.33 68.55 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 2.93 0.97 -0.45 6.98 0.00 -1.12 -1.72 119.26 126.85 1spu h ALA 505 Ca 0.00 0.34 0.01 0.00 0.00 0.00 0.00 54.91 55.27 1spu h ALA 505 Cb 0.53 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1spu h ALA 505 CO 0.00 -0.50 0.28 -0.22 0.00 0.00 0.00 179.25 178.81 1spu h LYS 506 N 0.02 0.54 -0.09 0.00 3.11 -1.76 -2.31 116.57 116.08 1spu h LYS 506 Ca 0.54 -0.03 -0.23 0.00 -2.81 0.00 0.00 60.65 58.12 1spu h LYS 506 Cb 1.02 -0.12 0.01 0.00 -1.00 0.00 0.00 32.23 32.14 1spu h LYS 506 CO -0.92 0.36 -0.85 -0.44 -2.81 0.00 0.00 179.45 174.79 1spu h ASP 507 N 0.56 0.83 -0.88 4.20 3.32 -1.65 -3.16 116.42 119.63 1spu h ASP 507 Ca 0.17 -0.58 0.11 0.00 0.02 0.00 0.00 57.03 56.75 1spu h ASP 507 Cb -0.02 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.22 1spu h ASP 507 CO -0.07 1.37 0.57 0.44 -1.72 0.00 0.00 179.24 179.83 1spu h ASP 508 N 0.43 0.76 -0.69 6.45 3.32 -1.32 -2.09 116.42 123.28 1spu h ASP 508 Ca -0.07 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1spu h ASP 508 Cb 1.48 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1spu h ASP 508 CO 0.17 0.44 0.00 0.35 -1.72 0.00 0.00 179.24 178.47 1spu n THR 509 N -4.53 1.48 -0.26 0.35 -2.24 -0.87 -4.47 114.28 103.73 1spu n THR 509 Ca 0.15 -1.10 -0.03 0.00 -2.27 0.00 0.00 64.05 60.80 1spu n THR 509 Cb 0.34 0.28 0.13 0.00 -2.10 0.00 0.00 70.33 68.98 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 4.22 1.10 -0.24 -0.78 2.43 -1.34 -2.98 114.38 116.80 1spu h ARG 510 Ca 0.00 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 58.96 1spu h ARG 510 Cb 1.26 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 1spu h ARG 510 CO 0.14 0.85 -0.04 0.66 -1.51 0.00 0.00 179.97 180.07 1spu n TYR 511 N -4.32 0.80 0.00 2.20 4.02 -1.26 -5.05 117.16 113.55 1spu n TYR 511 Ca 0.07 -1.14 0.00 0.00 -0.01 0.00 0.00 57.90 56.83 1spu n TYR 511 Cb 0.14 -0.34 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 1spu n TYR 511 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1spu n GLY 512 N -0.88 1.20 3.82 2.72 0.00 -1.13 -0.79 105.19 110.14 1spu n GLY 512 Ca 0.24 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 1spu n GLY 512 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1spu s THR 513 N -2.00 4.26 -0.79 2.61 2.01 -1.08 -4.32 115.64 116.32 1spu s THR 513 Ca 0.00 1.36 -0.23 0.00 0.31 0.00 0.00 61.69 63.13 1spu s THR 513 Cb 0.00 -3.57 0.07 0.00 0.01 0.00 0.00 72.50 69.00 1spu s THR 513 CO 0.00 -0.35 1.17 -0.22 -0.69 0.00 0.00 174.62 174.53 1spu s LEU 514 N -3.38 4.00 0.00 4.42 2.96 -1.26 0.23 118.68 125.66 1spu s LEU 514 Ca 0.63 -1.11 0.24 0.00 -0.22 0.00 0.00 54.13 53.67 1spu s LEU 514 Cb -0.11 -2.48 0.31 0.00 0.50 0.00 0.00 46.19 44.41 1spu s LEU 514 CO 0.17 -1.50 1.28 2.30 -1.32 0.00 0.00 176.35 177.28 1spu n ILE 515 N 6.15 0.00 -3.59 6.68 -5.35 -0.52 -4.77 119.36 117.96 1spu n ILE 515 Ca 0.10 -0.04 -0.09 0.00 -0.27 0.00 0.00 62.75 62.44 1spu n ILE 515 Cb 0.48 0.56 -0.02 0.00 -1.74 0.00 0.00 39.64 38.92 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 -2.87 -0.42 -0.05 7.28 -1.08 -1.14 -4.51 116.67 113.87 1spu s ASP 516 Ca 0.13 -0.22 -0.34 0.00 -0.52 0.00 0.00 52.55 51.60 1spu s ASP 516 Cb 0.17 0.61 -0.12 0.00 -1.46 0.00 0.00 42.92 42.12 1spu s ASP 516 CO 0.70 -1.05 1.84 1.41 0.52 0.00 0.00 175.17 178.59 1spu n HIS 517 N -0.40 2.32 -1.25 -5.34 8.25 -1.26 -1.08 115.22 116.46 1spu n HIS 517 Ca -0.11 0.03 -0.09 0.00 -0.26 0.00 0.00 57.72 57.29 1spu n HIS 517 Cb 0.62 -2.65 -0.04 0.00 1.12 0.00 0.00 29.99 29.05 1spu n HIS 517 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1spu n ASN 518 N 6.16 -4.68 -3.91 0.41 4.13 0.10 -4.96 115.26 112.50 1spu n ASN 518 Ca 0.22 0.22 -0.26 0.00 1.68 0.00 0.00 54.58 56.44 1spu n ASN 518 Cb 0.29 -2.95 -0.17 0.00 -1.54 0.00 0.00 39.78 35.41 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 -2.11 0.96 -0.21 2.41 1.01 -0.24 -1.04 121.20 121.98 1spu s ILE 519 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 1spu s ILE 519 Cb 0.00 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 1spu s ILE 519 CO 0.00 0.35 -0.04 -0.69 0.00 0.00 0.00 174.94 174.56 1spu s VAL 520 N 1.50 3.50 -0.74 2.92 1.01 -0.52 -1.43 120.40 126.64 1spu s VAL 520 Ca 0.01 -0.46 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 1spu s VAL 520 Cb -0.13 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.70 1spu s VAL 520 CO -0.05 0.43 1.31 -0.83 0.00 0.00 0.00 175.10 175.96 1spu s GLY 521 N 1.23 0.85 -0.02 4.51 0.00 0.14 -1.86 107.32 112.17 1spu s GLY 521 Ca 0.03 -1.34 -0.30 0.00 0.00 0.00 0.00 44.72 43.11 1spu s GLY 521 CO -0.01 2.69 1.91 -1.59 0.00 0.00 0.00 173.10 176.10 1spu s THR 522 N 5.91 3.17 0.41 0.90 2.01 -1.24 -2.65 115.64 124.15 1spu s THR 522 Ca 0.37 0.21 -0.25 0.00 0.31 0.00 0.00 61.69 62.32 1spu s THR 522 Cb -0.08 -3.14 -0.10 0.00 0.01 0.00 0.00 72.50 69.18 1spu s THR 522 CO 0.15 -0.03 1.16 0.41 -0.69 0.00 0.00 174.62 175.62 1spu n THR 523 N 5.77 2.47 -3.83 -0.82 -1.04 0.03 -4.89 114.28 111.97 1spu n THR 523 Ca 0.20 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.05 61.64 1spu n THR 523 Cb 0.42 -1.38 0.02 0.00 -1.82 0.00 0.00 70.33 67.57 1spu n THR 523 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1spu s HIS 524 N -1.21 0.08 0.29 -1.42 -3.43 -1.15 -2.00 115.29 106.44 1spu s HIS 524 Ca 0.61 -0.64 0.11 0.00 -0.80 0.00 0.00 55.06 54.35 1spu s HIS 524 Cb -0.54 0.78 -0.05 0.00 -1.43 0.00 0.00 32.58 31.34 1spu s HIS 524 CO 0.58 -1.32 -0.17 -0.65 -2.00 0.00 0.00 174.74 171.17 1spu s GLN 525 N -2.40 1.69 -0.26 -0.38 -0.21 -0.72 0.27 119.66 117.66 1spu s GLN 525 Ca 0.17 -1.80 0.01 0.00 0.02 0.00 0.00 55.36 53.76 1spu s GLN 525 Cb -0.04 -1.73 0.07 0.00 1.00 0.00 0.00 33.01 32.31 1spu s GLN 525 CO 0.09 0.28 -0.01 -1.01 -2.12 0.00 0.00 175.29 172.52 1spu s HIS 526 N -2.55 2.31 -0.20 0.91 3.76 -0.73 -3.46 115.29 115.34 1spu s HIS 526 Ca 0.30 -1.82 0.01 0.00 -0.15 0.00 0.00 55.06 53.41 1spu s HIS 526 Cb -0.03 -1.71 0.03 0.00 1.11 0.00 0.00 32.58 31.98 1spu s HIS 526 CO 0.15 -0.80 -0.17 0.42 -0.85 0.00 0.00 174.74 173.49 1spu s ILE 527 N 1.42 2.03 -0.10 0.60 1.01 0.54 -1.30 121.20 125.39 1spu s ILE 527 Ca -0.01 -1.07 -0.05 0.00 0.00 0.00 0.00 60.65 59.52 1spu s ILE 527 Cb -0.18 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 1spu s ILE 527 CO -0.10 0.39 0.10 -0.31 0.00 0.00 0.00 174.94 175.02 1spu s TYR 528 N 1.27 3.46 -0.07 3.97 2.02 0.37 -1.07 117.35 127.29 1spu s TYR 528 Ca 0.02 0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 57.12 1spu s TYR 528 Cb -0.15 -1.88 0.03 0.00 -0.40 0.00 0.00 41.96 39.56 1spu s TYR 528 CO -0.11 0.65 -0.03 1.21 -1.57 0.00 0.00 175.55 175.70 1spu s ASN 529 N -1.05 1.55 -0.15 2.29 2.47 -0.82 0.17 114.94 119.40 1spu s ASN 529 Ca 0.15 -0.14 -0.03 0.00 0.42 0.00 0.00 52.86 53.26 1spu s ASN 529 Cb -0.12 -0.53 -0.03 0.00 -1.45 0.00 0.00 41.25 39.13 1spu s ASN 529 CO 0.04 -0.14 -0.05 -0.36 -3.72 0.00 0.00 177.10 172.88 1spu s PHE 530 N 1.64 3.00 -0.41 0.43 0.08 0.17 0.87 117.98 123.76 1spu s PHE 530 Ca 0.01 -0.32 -0.18 0.00 0.12 0.00 0.00 56.93 56.56 1spu s PHE 530 Cb -0.13 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.40 1spu s PHE 530 CO -0.04 -0.04 0.48 0.50 -0.10 0.00 0.00 175.22 176.02 1spu s ARG 531 N 0.31 3.23 -0.33 0.44 3.52 -0.87 -1.34 118.95 123.91 1spu s ARG 531 Ca -0.04 -0.59 0.03 0.00 -0.13 0.00 0.00 55.73 54.99 1spu s ARG 531 Cb -0.14 -3.93 0.10 0.00 -1.56 0.00 0.00 34.95 29.41 1spu s ARG 531 CO 0.03 -0.83 0.05 -0.51 -0.81 0.00 0.00 175.30 173.23 1spu s LEU 532 N 2.29 4.16 -1.43 -0.88 1.43 0.19 -1.80 118.68 122.64 1spu s LEU 532 Ca 0.15 -2.00 -0.15 0.00 -1.03 0.00 0.00 54.13 51.10 1spu s LEU 532 Cb -0.16 -1.47 0.04 0.00 0.03 0.00 0.00 46.19 44.63 1spu s LEU 532 CO 0.14 -0.37 2.16 -0.67 0.23 0.00 0.00 176.35 177.84 1spu n ASP 533 N 4.39 3.97 -4.74 2.29 2.03 0.13 -1.00 116.55 123.61 1spu n ASP 533 Ca 0.02 -2.85 -0.41 0.00 0.52 0.00 0.00 54.79 52.07 1spu n ASP 533 Cb 0.42 -1.66 -0.03 0.00 -0.72 0.00 0.00 41.12 39.13 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 2.45 4.43 -0.56 -2.67 1.43 -1.26 -1.19 118.68 121.31 1spu s LEU 534 Ca 0.48 2.42 0.04 0.00 -1.03 0.00 0.00 54.13 56.04 1spu s LEU 534 Cb 0.13 -3.62 0.16 0.00 0.03 0.00 0.00 46.19 42.89 1spu s LEU 534 CO -0.06 -0.50 0.38 -1.81 0.23 0.00 0.00 176.35 174.59 1spu s ASP 535 N 0.14 3.61 -0.64 2.29 1.01 -0.37 -4.66 116.67 118.05 1spu s ASP 535 Ca 0.55 -3.33 -0.26 0.00 0.71 0.00 0.00 52.55 50.22 1spu s ASP 535 Cb -0.36 -1.18 -0.02 0.00 1.01 0.00 0.00 42.92 42.37 1spu s ASP 535 CO 0.40 -0.16 1.82 -0.69 0.21 0.00 0.00 175.17 176.76 1spu s VAL 536 N -0.58 3.39 -2.01 -1.27 1.01 -1.26 -2.96 120.40 116.71 1spu s VAL 536 Ca 0.25 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1spu s VAL 536 Cb -0.08 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1spu s VAL 536 CO -0.13 -0.99 0.00 -0.67 0.00 0.00 0.00 175.10 173.31 1spu n ASP 537 N 12.56 -5.01 0.00 3.32 -0.08 0.07 -4.50 116.55 122.91 1spu n ASP 537 Ca 0.20 0.47 0.00 0.00 -1.51 0.00 0.00 54.79 53.95 1spu n ASP 537 Cb 0.52 -4.46 0.00 0.00 2.34 0.00 0.00 41.12 39.51 1spu n ASP 537 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1spu n GLY 538 N -0.36 1.76 0.07 0.27 0.00 -1.15 -4.81 105.19 100.97 1spu n GLY 538 Ca -0.19 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.04 -6.36 1.61 4.81 -1.85 -3.39 114.58 109.36 1spu h GLU 539 Ca 0.00 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.66 1spu h GLU 539 Cb 0.00 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.32 1spu h GLU 539 CO 0.00 0.52 0.81 -0.80 -0.73 0.00 0.00 179.01 178.80 1spu s ASN 540 N -5.73 6.78 0.27 1.04 0.01 -1.26 -3.52 114.94 112.54 1spu s ASN 540 Ca -0.16 0.76 0.02 0.00 -0.71 0.00 0.00 52.86 52.77 1spu s ASN 540 Cb 0.01 -2.52 -0.05 0.00 0.41 0.00 0.00 41.25 39.10 1spu s ASN 540 CO 0.65 -0.98 0.12 0.20 -1.51 0.00 0.00 177.10 175.58 1spu s ASN 541 N 1.94 1.27 -0.01 -1.22 0.01 -0.76 -4.35 114.94 111.81 1spu s ASN 541 Ca 0.44 -1.45 -0.07 0.00 -0.71 0.00 0.00 52.86 51.08 1spu s ASN 541 Cb -0.11 0.25 0.00 0.00 0.41 0.00 0.00 41.25 41.81 1spu s ASN 541 CO 0.21 -0.79 0.14 -0.44 -1.51 0.00 0.00 177.10 174.71 1spu s SER 542 N -3.33 -0.02 -0.20 -1.22 0.01 0.65 -1.13 113.70 108.47 1spu s SER 542 Ca 0.37 -0.09 -0.17 0.00 1.31 0.00 0.00 55.95 57.37 1spu s SER 542 Cb 0.07 0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.50 1spu s SER 542 CO 0.15 -0.30 0.45 -0.22 0.41 0.00 0.00 173.24 173.73 1spu s LEU 543 N -1.05 4.16 -0.13 2.44 2.96 -1.26 -0.93 118.68 124.87 1spu s LEU 543 Ca -0.11 0.59 0.02 0.00 -0.22 0.00 0.00 54.13 54.41 1spu s LEU 543 Cb -0.06 -2.60 0.01 0.00 0.50 0.00 0.00 46.19 44.04 1spu s LEU 543 CO 0.01 -0.11 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.07 1spu s VAL 544 N 1.41 1.68 -0.02 1.68 1.01 -0.07 0.18 120.40 126.26 1spu s VAL 544 Ca 0.21 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 1spu s VAL 544 Cb -0.15 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1spu s VAL 544 CO 0.09 0.48 0.39 0.00 0.00 0.00 0.00 175.10 176.06 1spu s ALA 545 N 1.04 3.69 -0.32 5.51 0.00 0.19 -1.47 121.76 130.39 1spu s ALA 545 Ca -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 1spu s ALA 545 Cb -0.15 -2.38 0.10 0.00 0.00 0.00 0.00 23.12 20.69 1spu s ALA 545 CO -0.04 0.44 0.12 -1.64 0.00 0.00 0.00 175.76 174.64 1spu s MET 546 N -0.89 0.72 -0.38 0.00 -1.94 -0.65 -0.28 119.30 115.88 1spu s MET 546 Ca 0.23 -1.13 -0.12 0.00 -1.71 0.00 0.00 55.69 52.96 1spu s MET 546 Cb -0.16 -1.94 0.03 0.00 2.01 0.00 0.00 34.83 34.76 1spu s MET 546 CO 0.12 -1.01 0.23 -0.51 -0.01 0.00 0.00 175.02 173.84 1spu s ASP 547 N 1.52 5.82 0.16 3.03 1.01 0.54 -1.18 116.67 127.56 1spu s ASP 547 Ca 0.11 -0.98 -0.32 0.00 0.71 0.00 0.00 52.55 52.07 1spu s ASP 547 Cb -0.18 -2.05 -0.10 0.00 1.01 0.00 0.00 42.92 41.59 1spu s ASP 547 CO -0.23 -0.40 1.64 -2.84 0.21 0.00 0.00 175.17 173.55 1spu s PRO 548 N 1.58 4.18 0.08 8.23 0.02 -1.26 0.70 135.00 148.54 1spu s PRO 548 Ca 0.03 2.44 0.02 0.00 0.02 0.00 0.00 61.00 63.51 1spu s PRO 548 Cb -0.19 -3.23 -0.04 0.00 0.02 0.00 0.00 34.50 31.06 1spu s PRO 548 CO 0.07 -0.68 -0.08 0.14 -0.33 0.00 0.00 177.00 176.13 1spu s VAL 549 N 1.49 0.70 -0.28 3.83 -7.23 0.54 -4.89 120.40 114.57 1spu s VAL 549 Ca 0.73 -1.66 -0.16 0.00 -1.81 0.00 0.00 61.98 59.07 1spu s VAL 549 Cb -0.45 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 1spu s VAL 549 CO 0.32 -0.69 0.42 -0.69 -0.31 0.00 0.00 175.10 174.15 1spu s VAL 550 N -2.83 5.13 0.13 1.32 1.01 -1.26 -0.38 120.40 123.52 1spu s VAL 550 Ca 0.05 0.60 0.11 0.00 0.00 0.00 0.00 61.98 62.74 1spu s VAL 550 Cb -0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1spu s VAL 550 CO -0.03 0.09 -0.27 -0.54 0.00 0.00 0.00 175.10 174.36 1spu s LYS 551 N 2.17 1.43 0.44 2.72 1.02 0.16 -4.91 119.74 122.77 1spu s LYS 551 Ca 0.17 -1.33 -0.24 0.00 0.02 0.00 0.00 55.97 54.58 1spu s LYS 551 Cb -0.16 -1.91 -0.08 0.00 -0.52 0.00 0.00 37.83 35.16 1spu s LYS 551 CO 0.10 0.45 1.26 -1.25 -0.92 0.00 0.00 175.35 175.00 1spu s PRO 552 N -2.03 3.77 -0.11 -1.68 0.04 -1.26 0.27 135.00 134.00 1spu s PRO 552 Ca 0.14 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 1spu s PRO 552 Cb -0.10 -2.56 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 1spu s PRO 552 CO 0.06 -0.61 1.04 1.21 0.04 0.00 0.00 177.00 178.74 1spu s ASN 553 N -0.99 7.20 0.00 6.66 3.04 0.70 -4.60 114.94 126.96 1spu s ASN 553 Ca 0.61 1.57 0.09 0.00 0.04 0.00 0.00 52.86 55.17 1spu s ASN 553 Cb -0.35 -2.56 0.01 0.00 -1.54 0.00 0.00 41.25 36.81 1spu s ASN 553 CO 0.44 -0.49 0.64 0.35 -3.04 0.00 0.00 177.10 175.00 1spu n THR 554 N 4.62 0.00 1.46 -5.21 -2.24 -1.26 -4.56 114.28 107.09 1spu n THR 554 Ca 0.09 -0.42 0.14 0.00 -2.27 0.00 0.00 64.05 61.60 1spu n THR 554 Cb 0.48 1.12 0.63 0.00 -2.10 0.00 0.00 70.33 70.46 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 -0.15 2.75 0.00 6.98 0.00 -1.26 -5.06 120.51 123.76 1spu n ALA 555 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1spu n ALA 555 Cb 0.20 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 1.25 -3.63 0.29 0.00 0.00 -1.26 -5.10 105.19 96.74 1spu n GLY 556 Ca 0.16 -1.94 0.04 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.28 -1.46 0.28 -0.02 0.00 -1.26 -4.43 105.19 98.03 1spu n GLY 557 Ca 0.00 -1.46 0.16 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.27 0.00 -6.75 1.61 0.11 -2.03 -3.45 132.00 121.22 1spu h PRO 558 Ca 0.00 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 1spu h PRO 558 Cb 0.27 0.00 0.04 0.00 0.11 0.00 0.00 31.00 31.42 1spu h PRO 558 CO 0.00 0.07 0.65 1.03 -0.21 0.00 0.00 178.00 179.54 1spu s ARG 559 N -4.01 4.38 -0.01 1.05 1.81 -1.26 -4.94 118.95 115.97 1spu s ARG 559 Ca -0.02 2.11 -0.06 0.00 -1.72 0.00 0.00 55.73 56.04 1spu s ARG 559 Cb 0.12 -3.15 -0.29 0.00 -0.45 0.00 0.00 34.95 31.18 1spu s ARG 559 CO 0.54 -0.22 0.81 1.79 -0.68 0.00 0.00 175.30 177.54 1spu h THR 560 N 3.49 1.10 -2.76 0.02 1.35 -1.92 -3.41 112.91 110.77 1spu h THR 560 Ca -0.46 -2.70 -0.48 0.00 -0.55 0.00 0.00 66.41 62.21 1spu h THR 560 Cb 1.22 2.78 -0.14 0.00 -1.73 0.00 0.00 68.15 70.28 1spu h THR 560 CO 0.74 0.83 -0.62 -0.94 -0.25 0.00 0.00 175.52 175.27 1spu s SER 561 N -7.11 2.51 0.08 5.36 1.04 -1.26 -0.21 113.70 114.10 1spu s SER 561 Ca -0.11 -1.33 0.02 0.00 0.48 0.00 0.00 55.95 55.01 1spu s SER 561 Cb 0.06 -0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 1spu s SER 561 CO 0.86 -0.54 -0.06 0.42 0.98 0.00 0.00 173.24 174.90 1spu s THR 562 N -3.21 0.61 -0.35 2.02 -4.23 0.77 -4.54 115.64 106.71 1spu s THR 562 Ca 0.34 -1.73 -0.12 0.00 -1.18 0.00 0.00 61.69 59.01 1spu s THR 562 Cb 0.08 -1.42 -0.00 0.00 1.34 0.00 0.00 72.50 72.50 1spu s THR 562 CO 0.14 -0.78 0.22 -0.04 -0.54 0.00 0.00 174.62 173.62 1spu s MET 563 N -3.33 3.25 0.33 3.99 -1.94 -1.26 0.37 119.30 120.71 1spu s MET 563 Ca 0.06 -0.80 0.04 0.00 -1.71 0.00 0.00 55.69 53.28 1spu s MET 563 Cb 0.02 -3.74 -0.03 0.00 2.01 0.00 0.00 34.83 33.08 1spu s MET 563 CO -0.04 -0.53 0.17 -0.65 -0.01 0.00 0.00 175.02 173.96 1spu s GLN 564 N 1.65 1.70 -0.05 2.03 -0.21 0.49 -4.97 119.66 120.31 1spu s GLN 564 Ca 0.05 -1.99 0.05 0.00 0.02 0.00 0.00 55.36 53.49 1spu s GLN 564 Cb -0.18 -0.15 -0.01 0.00 1.00 0.00 0.00 33.01 33.67 1spu s GLN 564 CO 0.08 -0.49 -0.21 0.08 -2.12 0.00 0.00 175.29 172.64 1spu s VAL 565 N -3.49 1.73 -0.51 1.09 1.01 -1.26 0.20 120.40 119.17 1spu s VAL 565 Ca 0.34 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 1spu s VAL 565 Cb 0.04 -1.47 0.09 0.00 0.00 0.00 0.00 36.38 35.04 1spu s VAL 565 CO 0.18 0.49 0.52 0.20 0.00 0.00 0.00 175.10 176.49 1spu s ASN 566 N -0.10 6.18 -0.04 3.32 0.02 0.22 -4.90 114.94 119.64 1spu s ASN 566 Ca -0.03 -1.33 0.01 0.00 -1.02 0.00 0.00 52.86 50.48 1spu s ASN 566 Cb -0.12 -2.23 -0.03 0.00 0.02 0.00 0.00 41.25 38.88 1spu s ASN 566 CO 0.03 -0.83 -0.03 -1.58 0.02 0.00 0.00 177.10 174.71 1spu s GLN 567 N 2.04 2.79 -0.08 -0.60 0.74 -1.26 -0.34 119.66 122.95 1spu s GLN 567 Ca 0.08 -0.56 -0.30 0.00 0.05 0.00 0.00 55.36 54.63 1spu s GLN 567 Cb -0.24 -2.65 0.12 0.00 1.10 0.00 0.00 33.01 31.33 1spu s GLN 567 CO 0.07 0.65 0.98 1.52 -0.55 0.00 0.00 175.29 177.96 1spu s TYR 568 N -0.94 -0.31 0.43 1.67 1.13 0.61 -4.99 117.35 114.96 1spu s TYR 568 Ca 0.15 0.30 -0.20 0.00 -1.41 0.00 0.00 57.07 55.91 1spu s TYR 568 Cb -0.11 0.51 -0.10 0.00 -1.10 0.00 0.00 41.96 41.15 1spu s TYR 568 CO 0.05 -0.43 0.94 -0.80 -2.51 0.00 0.00 175.55 172.80 1spu s ASN 569 N -2.05 6.88 -0.42 -0.18 -0.87 -1.26 0.52 114.94 117.56 1spu s ASN 569 Ca 0.04 1.64 -0.06 0.00 -1.57 0.00 0.00 52.86 52.92 1spu s ASN 569 Cb -0.01 -2.52 0.10 0.00 -0.02 0.00 0.00 41.25 38.80 1spu s ASN 569 CO -0.05 -0.38 0.24 -0.63 -2.57 0.00 0.00 177.10 173.70 1spu s ILE 570 N -2.23 3.67 0.01 0.60 1.01 0.13 -4.84 121.20 119.55 1spu s ILE 570 Ca 0.61 -1.82 0.17 0.00 0.00 0.00 0.00 60.65 59.61 1spu s ILE 570 Cb -0.09 -3.41 0.10 0.00 0.01 0.00 0.00 42.46 39.07 1spu s ILE 570 CO 0.16 -0.64 1.60 1.23 0.00 0.00 0.00 174.94 177.29 1spu h GLY 571 N 8.21 0.00 -2.00 6.18 0.00 -1.91 -3.36 103.07 110.19 1spu h GLY 571 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.85 1spu h GLY 571 CO 0.74 0.00 -0.35 0.54 0.00 0.00 0.00 176.54 177.47 1spu s ASN 572 N -6.42 0.88 0.30 0.19 2.20 -1.26 0.12 114.94 110.95 1spu s ASN 572 Ca 0.02 -1.49 0.01 0.00 -0.94 0.00 0.00 52.86 50.46 1spu s ASN 572 Cb 0.09 0.57 0.46 0.00 -2.00 0.00 0.00 41.25 40.38 1spu s ASN 572 CO 0.71 -1.13 1.84 -0.33 -2.94 0.00 0.00 177.10 175.25 1spu h GLU 573 N 2.23 0.71 -0.52 3.55 5.08 -1.31 -0.55 114.58 123.78 1spu h GLU 573 Ca -0.29 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 57.82 1spu h GLU 573 Cb 1.24 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1spu h GLU 573 CO 0.40 0.68 -0.07 1.96 -1.00 0.00 0.00 179.01 180.98 1spu h GLN 574 N 0.68 0.97 -0.11 2.33 1.08 -1.85 -1.32 115.11 116.89 1spu h GLN 574 Ca 0.15 -0.34 -0.18 0.00 -1.45 0.00 0.00 58.65 56.82 1spu h GLN 574 Cb 0.33 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1spu h GLN 574 CO 0.01 1.01 -0.69 -0.44 -0.95 0.00 0.00 178.83 177.77 1spu h ASP 575 N 0.83 0.57 0.79 1.46 3.32 -1.92 -2.98 116.42 118.49 1spu h ASP 575 Ca 0.14 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1spu h ASP 575 Cb 0.62 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1spu h ASP 575 CO 0.04 1.09 0.00 0.00 -1.72 0.00 0.00 179.24 178.66 1spu h ALA 576 N 0.90 1.00 -1.42 3.45 0.00 -0.91 -3.39 119.26 118.88 1spu h ALA 576 Ca -0.02 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.30 1spu h ALA 576 Cb 1.27 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 1spu h ALA 576 CO 0.12 0.00 1.03 0.00 0.00 0.00 0.00 179.25 180.40 1spu s ALA 577 N -3.67 2.88 0.27 0.00 0.00 -0.51 -3.77 121.76 116.96 1spu s ALA 577 Ca 0.01 -1.82 -0.13 0.00 0.00 0.00 0.00 51.96 50.02 1spu s ALA 577 Cb 0.09 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 19.00 1spu s ALA 577 CO 0.48 -3.22 0.52 1.14 0.00 0.00 0.00 175.76 174.68 1spu s GLN 578 N 4.89 1.66 0.39 0.00 -2.07 0.91 -4.97 119.66 120.47 1spu s GLN 578 Ca 0.34 -1.29 -0.25 0.00 -1.82 0.00 0.00 55.36 52.34 1spu s GLN 578 Cb -0.08 0.49 -0.09 0.00 -1.09 0.00 0.00 33.01 32.25 1spu s GLN 578 CO 0.06 -0.70 1.10 0.15 -1.32 0.00 0.00 175.29 174.58 1spu s LYS 579 N -3.79 4.14 -0.20 9.60 -0.14 -1.26 0.07 119.74 128.16 1spu s LYS 579 Ca 0.22 1.67 -0.04 0.00 -1.36 0.00 0.00 55.97 56.46 1spu s LYS 579 Cb -0.01 -2.64 -0.02 0.00 -1.68 0.00 0.00 37.83 33.47 1spu s LYS 579 CO 0.10 -0.20 -0.02 0.12 -0.76 0.00 0.00 175.35 174.59 1spu s PHE 580 N -1.52 3.01 -0.29 3.18 5.36 -1.26 -4.80 117.98 121.66 1spu s PHE 580 Ca 0.57 -0.54 -0.11 0.00 -0.96 0.00 0.00 56.93 55.89 1spu s PHE 580 Cb -0.26 -2.07 -0.03 0.00 -0.34 0.00 0.00 43.02 40.32 1spu s PHE 580 CO 0.33 -0.28 0.18 0.34 -1.46 0.00 0.00 175.22 174.33 1spu s ASP 581 N 1.00 5.81 0.00 6.13 2.15 -1.26 -4.95 116.67 125.55 1spu s ASP 581 Ca 0.01 -0.22 0.09 0.00 0.43 0.00 0.00 52.55 52.86 1spu s ASP 581 Cb -0.14 -2.07 0.38 0.00 -0.30 0.00 0.00 42.92 40.78 1spu s ASP 581 CO 0.01 -0.12 1.27 -0.81 -0.17 0.00 0.00 175.17 175.36 1spu n PRO 582 N 5.04 0.01 0.03 4.34 -0.04 -1.26 -1.64 135.00 141.47 1spu n PRO 582 Ca -0.14 0.34 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 1spu n PRO 582 Cb 0.51 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.59 -1.38 3.93 0.55 0.00 -1.26 -4.89 105.19 101.55 1spu n GLY 583 Ca 0.02 -0.25 -0.20 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 -3.06 2.64 -0.06 2.61 -4.23 -0.65 -4.53 115.64 108.36 1spu s THR 584 Ca 0.10 -1.22 0.05 0.00 -1.18 0.00 0.00 61.69 59.45 1spu s THR 584 Cb 0.16 -2.86 -0.01 0.00 1.34 0.00 0.00 72.50 71.13 1spu s THR 584 CO 0.67 0.00 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.89 1spu s ILE 585 N -2.47 1.89 -0.14 2.99 1.01 -0.33 -4.92 121.20 119.23 1spu s ILE 585 Ca 0.50 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1spu s ILE 585 Cb -0.05 -1.62 0.03 0.00 0.01 0.00 0.00 42.46 40.83 1spu s ILE 585 CO 0.30 0.53 -0.12 -0.13 0.00 0.00 0.00 174.94 175.52 1spu s ARG 586 N -0.01 2.06 0.09 2.79 1.81 -1.26 -1.64 118.95 122.78 1spu s ARG 586 Ca -0.07 -0.50 0.10 0.00 -1.72 0.00 0.00 55.73 53.54 1spu s ARG 586 Cb -0.14 -2.00 -0.04 0.00 -0.45 0.00 0.00 34.95 32.32 1spu s ARG 586 CO 0.04 -0.27 -0.24 -0.51 -0.68 0.00 0.00 175.30 173.65 1spu s LEU 587 N 1.54 2.38 -0.37 2.53 1.43 -0.54 0.07 118.68 125.72 1spu s LEU 587 Ca 0.04 -0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 52.48 1spu s LEU 587 Cb -0.13 -1.34 0.08 0.00 0.03 0.00 0.00 46.19 44.83 1spu s LEU 587 CO -0.10 0.21 0.15 -0.22 0.23 0.00 0.00 176.35 176.62 1spu s LEU 588 N -1.75 4.78 0.20 1.79 2.96 -0.27 -0.90 118.68 125.49 1spu s LEU 588 Ca 0.14 -1.66 0.06 0.00 -0.22 0.00 0.00 54.13 52.45 1spu s LEU 588 Cb -0.10 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1spu s LEU 588 CO 0.05 -0.44 0.14 -0.44 -1.32 0.00 0.00 176.35 174.34 1spu s SER 589 N 1.67 5.41 -0.48 3.68 0.01 -0.11 -1.39 113.70 122.49 1spu s SER 589 Ca 0.03 -0.22 -0.11 0.00 1.31 0.00 0.00 55.95 56.96 1spu s SER 589 Cb -0.22 -1.36 0.11 0.00 0.21 0.00 0.00 66.02 64.76 1spu s SER 589 CO -0.02 0.03 0.36 0.21 0.41 0.00 0.00 173.24 174.24 1spu s ASN 590 N -3.38 5.82 0.00 2.44 3.84 -0.20 -0.25 114.94 123.21 1spu s ASN 590 Ca 0.31 -1.77 0.18 0.00 0.21 0.00 0.00 52.86 51.79 1spu s ASN 590 Cb -0.09 -2.06 1.05 0.00 -0.55 0.00 0.00 41.25 39.60 1spu s ASN 590 CO 0.23 -0.70 1.52 -0.81 -2.79 0.00 0.00 177.10 174.55 1spu n PRO 591 N 5.00 0.48 0.00 0.43 -0.04 -1.26 -2.50 135.00 137.11 1spu n PRO 591 Ca -0.10 0.04 0.09 0.00 -0.04 0.00 0.00 63.50 63.49 1spu n PRO 591 Cb 0.41 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.08 1.07 -3.88 3.54 3.02 -1.26 -4.97 115.26 111.70 1spu n ASN 592 Ca 0.12 -1.04 -0.11 0.00 -0.03 0.00 0.00 54.58 53.53 1spu n ASN 592 Cb 0.09 0.93 -0.12 0.00 -0.61 0.00 0.00 39.78 40.07 1spu n ASN 592 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1spu s LYS 593 N -2.79 0.26 0.12 3.52 1.02 -1.04 -5.12 119.74 115.70 1spu s LYS 593 Ca 0.09 -0.19 0.01 0.00 0.02 0.00 0.00 55.97 55.89 1spu s LYS 593 Cb 0.15 0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.53 1spu s LYS 593 CO 0.77 -0.05 -0.01 -1.21 -0.92 0.00 0.00 175.35 173.94 1spu s GLU 594 N -0.70 0.89 0.77 1.68 2.02 -1.26 -1.16 118.70 120.94 1spu s GLU 594 Ca -0.08 -1.40 -0.07 0.00 0.02 0.00 0.00 54.97 53.44 1spu s GLU 594 Cb -0.05 -0.03 0.11 0.00 0.10 0.00 0.00 34.13 34.26 1spu s GLU 594 CO 0.00 -0.13 1.08 0.54 0.02 0.00 0.00 175.26 176.77 1spu s ASN 595 N -3.06 4.33 0.64 -0.19 6.03 0.38 -4.78 114.94 118.29 1spu s ASN 595 Ca 0.17 0.24 0.22 0.00 -1.03 0.00 0.00 52.86 52.46 1spu s ASN 595 Cb 0.07 -0.69 1.12 0.00 -3.03 0.00 0.00 41.25 38.72 1spu s ASN 595 CO -0.02 -1.91 1.62 -0.09 -2.03 0.00 0.00 177.10 174.67 1spu h ARG 596 N -0.82 0.00 -0.66 3.55 2.43 -1.88 0.12 114.38 117.12 1spu h ARG 596 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1spu h ARG 596 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1spu h ARG 596 CO 0.51 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 177.64 1spu n MET 597 N -3.03 3.25 -1.19 0.20 2.81 -1.26 -4.91 117.12 112.98 1spu n MET 597 Ca 0.04 -2.58 -0.07 0.00 -1.81 0.00 0.00 57.70 53.29 1spu n MET 597 Cb 0.74 -1.76 -0.03 0.00 -0.71 0.00 0.00 33.22 31.47 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 1.23 0.89 3.81 3.03 0.00 0.40 -5.03 105.19 109.52 1spu n GLY 598 Ca 0.23 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 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 6.67 0.19 1.61 0.02 -1.24 -4.78 114.94 114.56 1spu s ASN 599 Ca 0.00 0.79 -0.31 0.00 -1.02 0.00 0.00 52.86 52.32 1spu s ASN 599 Cb 0.00 -2.22 -0.11 0.00 0.02 0.00 0.00 41.25 38.95 1spu s ASN 599 CO 0.00 0.26 1.60 -2.16 0.02 0.00 0.00 177.10 176.82 1spu s PRO 600 N -0.60 4.19 0.16 -0.60 0.04 -1.26 0.15 135.00 137.08 1spu s PRO 600 Ca 0.21 2.43 -0.31 0.00 0.04 0.00 0.00 61.00 63.37 1spu s PRO 600 Cb -0.15 -3.12 -0.11 0.00 0.04 0.00 0.00 34.50 31.16 1spu s PRO 600 CO 0.10 -0.63 1.70 0.14 0.04 0.00 0.00 177.00 178.34 1spu s VAL 601 N 1.01 2.42 0.22 -0.36 -7.23 -0.31 -4.72 120.40 111.42 1spu s VAL 601 Ca 0.70 0.20 -0.06 0.00 -1.81 0.00 0.00 61.98 61.01 1spu s VAL 601 Cb -0.45 -3.13 -0.03 0.00 0.56 0.00 0.00 36.38 33.33 1spu s VAL 601 CO 0.33 0.01 0.27 -0.44 -0.31 0.00 0.00 175.10 174.96 1spu s SER 602 N 1.65 0.06 -0.08 4.85 0.01 -0.36 -1.04 113.70 118.79 1spu s SER 602 Ca 0.75 -1.20 0.02 0.00 1.31 0.00 0.00 55.95 56.82 1spu s SER 602 Cb -0.46 0.46 0.02 0.00 0.21 0.00 0.00 66.02 66.25 1spu s SER 602 CO 0.33 -0.96 -0.12 -0.31 0.41 0.00 0.00 173.24 172.59 1spu s TYR 603 N -4.10 1.57 -0.14 2.43 1.51 -0.49 0.10 117.35 118.24 1spu s TYR 603 Ca 0.32 -0.66 -0.27 0.00 -1.01 0.00 0.00 57.07 55.44 1spu s TYR 603 Cb 0.04 -1.18 -0.01 0.00 -0.11 0.00 0.00 41.96 40.70 1spu s TYR 603 CO 0.11 -0.37 0.92 -1.14 -1.11 0.00 0.00 175.55 173.96 1spu s GLN 604 N 0.94 4.36 -0.33 -0.62 0.74 0.19 -1.12 119.66 123.82 1spu s GLN 604 Ca -0.09 1.21 -0.13 0.00 0.05 0.00 0.00 55.36 56.40 1spu s GLN 604 Cb -0.15 -3.56 -0.02 0.00 1.10 0.00 0.00 33.01 30.38 1spu s GLN 604 CO 0.00 -0.32 0.25 0.42 -0.55 0.00 0.00 175.29 175.10 1spu s ILE 605 N 2.07 5.27 -0.54 -2.34 1.01 0.11 -1.29 121.20 125.50 1spu s ILE 605 Ca 0.43 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 61.00 1spu s ILE 605 Cb -0.17 -3.71 0.13 0.00 0.01 0.00 0.00 42.46 38.72 1spu s ILE 605 CO 0.15 0.01 0.28 -0.63 0.00 0.00 0.00 174.94 174.75 1spu s ILE 606 N 1.77 2.68 0.49 2.92 1.01 -0.11 -4.36 121.20 125.60 1spu s ILE 606 Ca 0.07 -3.35 0.14 0.00 0.00 0.00 0.00 60.65 57.51 1spu s ILE 606 Cb -0.17 -2.84 0.27 0.00 0.01 0.00 0.00 42.46 39.73 1spu s ILE 606 CO 0.11 -0.81 2.11 -0.65 0.00 0.00 0.00 174.94 175.70 1spu h PRO 607 N 6.48 0.16 -4.14 2.79 0.11 -1.89 -1.74 132.00 133.77 1spu h PRO 607 Ca -0.07 -0.01 -0.62 0.00 0.11 0.00 0.00 66.00 65.41 1spu h PRO 607 Cb 0.89 -0.04 -0.40 0.00 0.11 0.00 0.00 31.00 31.56 1spu h PRO 607 CO 0.69 0.11 -0.74 -0.47 -0.21 0.00 0.00 178.00 177.38 1spu s TYR 608 N -5.20 2.77 -1.05 0.65 5.04 -1.26 -4.64 117.35 113.66 1spu s TYR 608 Ca -0.06 -2.40 0.12 0.00 -2.44 0.00 0.00 57.07 52.30 1spu s TYR 608 Cb 0.17 -2.34 0.35 0.00 0.35 0.00 0.00 41.96 40.49 1spu s TYR 608 CO 0.69 -0.91 1.30 0.00 -1.34 0.00 0.00 175.55 175.28 1spu n ALA 609 N 4.53 2.22 0.00 3.97 0.00 0.63 -4.88 120.51 126.98 1spu n ALA 609 Ca 0.01 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1spu n ALA 609 Cb 0.42 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 0.65 2.73 3.57 0.00 0.00 -1.23 -4.74 105.19 106.16 1spu n GLY 610 Ca 0.13 -2.05 -0.06 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.34 0.00 -0.02 0.00 -1.26 -0.93 107.32 104.78 1spu s GLY 611 Ca 0.00 1.46 0.22 0.00 0.00 0.00 0.00 44.72 46.41 1spu s GLY 611 CO 0.00 0.50 1.06 -1.30 0.00 0.00 0.00 173.10 173.37 1spu n THR 612 N -0.09 0.00 -4.27 0.90 -2.24 -0.05 -4.91 114.28 103.63 1spu n THR 612 Ca -0.03 -0.03 -0.27 0.00 -2.27 0.00 0.00 64.05 61.46 1spu n THR 612 Cb 0.59 0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 69.55 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 -2.94 2.67 0.35 4.78 4.02 -1.26 -4.96 115.29 117.95 1spu s HIS 613 Ca 0.10 -0.20 -0.26 0.00 1.02 0.00 0.00 55.06 55.72 1spu s HIS 613 Cb 0.17 -1.31 -0.13 0.00 -1.02 0.00 0.00 32.58 30.29 1spu s HIS 613 CO 0.79 0.51 0.94 -2.30 1.02 0.00 0.00 174.74 175.70 1spu n PRO 614 N 0.05 1.23 -2.86 8.40 -0.02 -1.25 -4.82 135.00 135.74 1spu n PRO 614 Ca -0.11 0.44 -0.37 0.00 -2.02 0.00 0.00 63.50 61.44 1spu n PRO 614 Cb 0.55 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 32.11 1spu n PRO 614 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1spu s VAL 615 N -1.19 4.28 -0.46 -1.45 1.01 -1.26 -0.64 120.40 120.69 1spu s VAL 615 Ca 0.61 1.73 -0.19 0.00 0.00 0.00 0.00 61.98 64.13 1spu s VAL 615 Cb -0.64 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 31.75 1spu s VAL 615 CO 0.59 0.22 0.58 0.00 0.00 0.00 0.00 175.10 176.49 1spu s ALA 616 N -1.52 3.38 -0.23 5.51 0.00 -1.16 -4.44 121.76 123.31 1spu s ALA 616 Ca 0.47 -1.47 0.18 0.00 0.00 0.00 0.00 51.96 51.13 1spu s ALA 616 Cb -0.19 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 19.76 1spu s ALA 616 CO 0.24 -1.82 1.34 0.87 0.00 0.00 0.00 175.76 176.40 1spu h LYS 617 N 8.88 0.00 0.00 0.00 1.79 -1.95 -3.39 116.57 121.90 1spu h LYS 617 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1spu h LYS 617 Cb 1.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1spu h LYS 617 CO 0.89 0.30 0.00 0.41 -1.08 0.00 0.00 179.45 179.97 1spu n GLY 618 N 1.22 2.64 3.69 3.86 0.00 -1.26 -4.90 105.19 110.43 1spu n GLY 618 Ca 0.00 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 3.44 -0.01 4.61 0.00 -1.25 -4.90 121.76 122.66 1spu s ALA 619 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 1spu s ALA 619 Cb 0.00 -3.09 -0.14 0.00 0.00 0.00 0.00 23.12 19.89 1spu s ALA 619 CO 0.00 -0.42 2.85 1.04 0.00 0.00 0.00 175.76 179.23 1spu n GLN 620 N 4.64 1.55 -4.26 0.00 1.13 -1.26 -4.77 117.38 114.40 1spu n GLN 620 Ca 0.01 -0.57 -0.17 0.00 -1.94 0.00 0.00 57.00 54.33 1spu n GLN 620 Cb 0.50 -1.54 -0.14 0.00 0.11 0.00 0.00 30.24 29.16 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 0.47 0.65 0.44 1.08 0.08 -1.26 -4.99 117.98 114.45 1spu s PHE 621 Ca 0.36 -0.13 -0.24 0.00 0.12 0.00 0.00 56.93 57.03 1spu s PHE 621 Cb 0.17 -0.42 -0.08 0.00 -0.57 0.00 0.00 43.02 42.13 1spu s PHE 621 CO -0.00 -0.01 1.21 0.00 -0.10 0.00 0.00 175.22 176.32 1spu s ALA 622 N -0.21 3.07 -1.10 5.36 0.00 -1.26 -4.89 121.76 122.73 1spu s ALA 622 Ca 0.02 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.10 1spu s ALA 622 Cb -0.03 -3.42 0.31 0.00 0.00 0.00 0.00 23.12 19.98 1spu s ALA 622 CO -0.00 -0.73 1.19 -0.35 0.00 0.00 0.00 175.76 175.87 1spu n PRO 623 N -0.26 0.02 0.00 0.00 -0.04 -1.26 -0.77 135.00 132.70 1spu n PRO 623 Ca 0.06 0.34 0.13 0.00 -0.04 0.00 0.00 63.50 63.99 1spu n PRO 623 Cb 0.46 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.45 2.03 -4.77 3.54 5.75 -1.26 -4.65 116.55 115.75 1spu n ASP 624 Ca 0.02 -1.60 -0.40 0.00 -0.01 0.00 0.00 54.79 52.80 1spu n ASP 624 Cb 0.08 0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.21 1spu n ASP 624 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1spu s GLU 625 N -2.12 4.37 0.25 0.11 0.41 0.05 -4.91 118.70 116.86 1spu s GLU 625 Ca 0.30 2.01 -0.05 0.00 -0.41 0.00 0.00 54.97 56.82 1spu s GLU 625 Cb 0.20 -3.01 0.28 0.00 -1.78 0.00 0.00 34.13 29.81 1spu s GLU 625 CO 0.37 -0.10 1.85 -1.49 -0.49 0.00 0.00 175.26 175.41 1spu h TRP 626 N 3.33 1.13 -0.52 1.61 4.06 -1.88 0.64 115.95 124.33 1spu h TRP 626 Ca -0.48 -0.05 0.02 0.00 2.06 0.00 0.00 58.89 60.44 1spu h TRP 626 Cb 1.22 -0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 29.00 1spu h TRP 626 CO 0.56 0.81 0.32 0.97 -3.56 0.00 0.00 178.44 177.55 1spu h ILE 627 N 1.13 1.08 -0.12 1.49 6.09 -1.91 -0.61 117.51 124.66 1spu h ILE 627 Ca 0.28 -0.22 0.03 0.00 -1.37 0.00 0.00 64.86 63.57 1spu h ILE 627 Cb 0.09 0.38 -0.03 0.00 0.47 0.00 0.00 36.82 37.74 1spu h ILE 627 CO -0.04 0.12 -0.04 0.22 -3.07 0.00 0.00 178.15 175.34 1spu h TYR 628 N 0.64 -0.09 -0.21 2.19 5.03 -1.71 -1.68 116.97 121.14 1spu h TYR 628 Ca 0.20 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.55 1spu h TYR 628 Cb -0.01 0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.31 1spu h TYR 628 CO -0.06 -0.07 0.06 0.45 -1.32 0.00 0.00 178.16 177.23 1spu h HIS 629 N -0.02 0.11 -0.37 -3.82 3.86 -0.33 -3.16 115.15 111.42 1spu h HIS 629 Ca 0.06 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.20 1spu h HIS 629 Cb 0.11 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1spu h HIS 629 CO -0.17 0.05 -0.13 0.00 0.86 0.00 0.00 177.93 178.54 1spu h ARG 630 N 0.15 0.66 -3.11 2.45 3.08 -0.92 -3.34 114.38 113.35 1spu h ARG 630 Ca 0.09 -0.22 -0.62 0.00 0.07 0.00 0.00 59.98 59.30 1spu h ARG 630 Cb 0.07 -0.06 -0.42 0.00 0.08 0.00 0.00 29.97 29.64 1spu h ARG 630 CO -0.10 0.77 -0.58 -0.51 -1.07 0.00 0.00 179.97 178.48 1spu s LEU 631 N -8.94 4.76 0.41 3.04 1.43 -0.65 -3.72 118.68 115.02 1spu s LEU 631 Ca -0.08 -3.77 0.10 0.00 -1.03 0.00 0.00 54.13 49.35 1spu s LEU 631 Cb 0.14 -1.63 0.88 0.00 0.03 0.00 0.00 46.19 45.61 1spu s LEU 631 CO 0.81 -0.10 1.98 0.28 0.23 0.00 0.00 176.35 179.55 1spu h SER 632 N 5.51 0.23 -0.41 2.29 0.02 -1.75 -2.79 113.55 116.66 1spu h SER 632 Ca 0.12 -0.03 0.12 0.00 -0.84 0.00 0.00 61.79 61.16 1spu h SER 632 Cb 0.77 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 1spu h SER 632 CO 0.71 0.31 0.38 2.19 -1.14 0.00 0.00 176.83 179.28 1spu h PHE 633 N 0.25 0.00 0.00 3.45 -0.00 -1.91 -2.36 116.94 116.36 1spu h PHE 633 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 58.02 1spu h PHE 633 Cb 0.23 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.18 1spu h PHE 633 CO 0.00 0.00 -0.02 0.52 -0.00 0.00 0.00 178.31 178.81 1spu h MET 634 N 0.00 0.00 -0.01 6.09 2.86 -1.88 -3.26 114.93 118.72 1spu h MET 634 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1spu h MET 634 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1spu h MET 634 CO -0.00 0.02 -0.26 -3.47 1.06 0.00 0.00 176.91 174.26 1spu n ASP 635 N -4.28 1.91 -4.32 1.22 2.03 -0.89 -3.78 116.55 108.44 1spu n ASP 635 Ca -0.03 -1.46 -0.31 0.00 0.52 0.00 0.00 54.79 53.51 1spu n ASP 635 Cb 0.11 0.35 -0.16 0.00 -0.72 0.00 0.00 41.12 40.69 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 -1.86 2.26 0.07 -0.67 -0.14 -1.23 -4.78 119.74 113.39 1spu s LYS 636 Ca 0.16 -0.89 0.17 0.00 -1.36 0.00 0.00 55.97 54.04 1spu s LYS 636 Cb 0.14 -2.11 -0.13 0.00 -1.68 0.00 0.00 37.83 34.05 1spu s LYS 636 CO 0.38 0.53 0.85 1.96 -0.76 0.00 0.00 175.35 178.30 1spu h GLN 637 N 5.60 0.00 -5.73 1.68 7.50 -1.38 -3.40 115.11 119.38 1spu h GLN 637 Ca -0.41 0.00 -0.55 0.00 0.50 0.00 0.00 58.65 58.19 1spu h GLN 637 Cb 1.14 0.00 -0.28 0.00 0.05 0.00 0.00 27.48 28.38 1spu h GLN 637 CO 0.48 0.30 -0.83 -1.17 -1.50 0.00 0.00 178.83 176.10 1spu s LEU 638 N -5.81 2.07 -0.04 1.46 0.20 0.11 -1.19 118.68 115.48 1spu s LEU 638 Ca -0.03 -0.37 -0.09 0.00 0.69 0.00 0.00 54.13 54.33 1spu s LEU 638 Cb 0.09 -0.89 0.01 0.00 -0.43 0.00 0.00 46.19 44.97 1spu s LEU 638 CO 0.81 0.19 0.21 0.26 -0.29 0.00 0.00 176.35 177.52 1spu s TRP 639 N -0.53 -0.13 -0.11 5.38 0.52 -0.44 -0.06 118.94 123.57 1spu s TRP 639 Ca 0.06 0.26 -0.05 0.00 0.02 0.00 0.00 56.10 56.40 1spu s TRP 639 Cb -0.07 0.04 0.05 0.00 -1.15 0.00 0.00 33.47 32.33 1spu s TRP 639 CO -0.00 -0.23 0.24 0.08 0.02 0.00 0.00 176.95 177.06 1spu s VAL 640 N -0.71 -0.11 0.13 4.03 1.01 -1.26 0.16 120.40 123.65 1spu s VAL 640 Ca -0.08 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1spu s VAL 640 Cb -0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 1spu s VAL 640 CO 0.01 0.07 -0.06 0.42 0.00 0.00 0.00 175.10 175.55 1spu s THR 641 N 1.50 0.83 0.50 3.92 -4.23 -0.65 -4.52 115.64 112.98 1spu s THR 641 Ca -0.07 -1.98 -0.21 0.00 -1.18 0.00 0.00 61.69 58.25 1spu s THR 641 Cb -0.11 -1.86 -0.07 0.00 1.34 0.00 0.00 72.50 71.81 1spu s THR 641 CO -0.08 -0.72 1.13 -0.13 -0.54 0.00 0.00 174.62 174.28 1spu s ARG 642 N -3.83 3.57 0.14 3.99 0.52 -1.26 -0.87 118.95 121.20 1spu s ARG 642 Ca 0.17 1.65 -0.31 0.00 -0.52 0.00 0.00 55.73 56.71 1spu s ARG 642 Cb 0.05 -2.17 -0.09 0.00 0.52 0.00 0.00 34.95 33.25 1spu s ARG 642 CO -0.01 -0.68 1.51 -0.47 0.02 0.00 0.00 175.30 175.67 1spu s TYR 643 N -1.70 3.10 -0.17 -0.53 5.04 0.20 -4.73 117.35 118.56 1spu s TYR 643 Ca 0.68 0.73 -0.05 0.00 -2.44 0.00 0.00 57.07 55.99 1spu s TYR 643 Cb -0.25 -3.84 0.08 0.00 0.35 0.00 0.00 41.96 38.30 1spu s TYR 643 CO 0.29 -3.07 0.31 -1.01 -1.34 0.00 0.00 175.55 170.73 1spu s HIS 644 N 1.20 -0.55 0.61 4.97 3.76 -1.26 -5.05 115.29 118.96 1spu s HIS 644 Ca 0.68 1.02 0.32 0.00 -0.15 0.00 0.00 55.06 56.93 1spu s HIS 644 Cb -0.41 0.03 1.86 0.00 1.11 0.00 0.00 32.58 35.16 1spu s HIS 644 CO 0.31 -0.46 2.21 -1.00 -0.85 0.00 0.00 174.74 174.95 1spu h PRO 645 N 8.25 0.00 -0.01 8.40 0.13 -2.05 -0.82 132.00 145.90 1spu h PRO 645 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1spu h PRO 645 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1spu h PRO 645 CO 0.16 0.00 -0.29 0.41 -0.23 0.00 0.00 178.00 178.05 1spu n GLY 646 N -1.31 -0.66 3.22 1.56 0.00 -1.26 -4.69 105.19 102.05 1spu n GLY 646 Ca -0.01 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.55 2.46 0.00 1.61 2.02 -0.32 -4.81 118.70 117.11 1spu s GLU 647 Ca 0.23 -1.70 0.00 0.00 0.02 0.00 0.00 54.97 53.52 1spu s GLU 647 Cb 0.19 -3.86 0.00 0.00 0.10 0.00 0.00 34.13 30.56 1spu s GLU 647 CO 0.54 -1.13 0.00 0.54 0.02 0.00 0.00 175.26 175.24 1spu n ARG 648 N 4.88 3.33 -4.78 1.61 1.74 -1.26 -4.76 116.66 117.42 1spu n ARG 648 Ca -0.08 -0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.72 1spu n ARG 648 Cb 0.41 -0.24 -0.17 0.00 -1.02 0.00 0.00 32.46 31.45 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 -0.48 1.98 0.39 -1.55 0.08 -1.26 -4.74 117.98 112.40 1spu s PHE 649 Ca 0.00 -0.82 0.06 0.00 0.12 0.00 0.00 56.93 56.29 1spu s PHE 649 Cb 0.00 -1.39 0.78 0.00 -0.57 0.00 0.00 43.02 41.84 1spu s PHE 649 CO 0.00 -0.38 2.01 -1.00 -0.10 0.00 0.00 175.22 175.75 1spu h PRO 650 N 6.99 0.56 -0.01 0.24 0.13 -1.94 -1.92 132.00 136.05 1spu h PRO 650 Ca -0.27 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1spu h PRO 650 Cb 1.20 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1spu h PRO 650 CO 0.48 0.42 -0.19 -0.85 -0.23 0.00 0.00 178.00 177.63 1spu n GLU 651 N -4.42 1.08 0.00 0.86 0.00 -1.26 -1.51 120.64 115.39 1spu n GLU 651 Ca 0.03 -0.65 0.00 0.00 0.00 0.00 0.00 57.16 56.54 1spu n GLU 651 Cb 0.10 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.06 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 1.30 0.53 0.23 -1.84 0.00 -0.72 -4.11 105.19 100.58 1spu n GLY 652 Ca 0.14 -1.82 -0.15 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.49 -3.28 1.61 3.64 -1.82 -3.37 116.57 112.87 1spu h LYS 653 Ca 0.00 0.03 -0.70 0.00 -1.27 0.00 0.00 60.65 58.71 1spu h LYS 653 Cb 0.00 0.11 -0.36 0.00 -0.41 0.00 0.00 32.23 31.57 1spu h LYS 653 CO 0.00 -0.27 -0.12 0.66 -2.27 0.00 0.00 179.45 177.46 1spu n TYR 654 N -5.27 4.16 0.64 1.91 4.01 -1.26 -4.91 117.16 116.43 1spu n TYR 654 Ca -0.11 -4.14 0.12 0.00 -0.16 0.00 0.00 57.90 53.62 1spu n TYR 654 Cb 0.24 -1.10 0.46 0.00 -0.31 0.00 0.00 39.34 38.63 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 2.25 0.15 -2.14 -0.72 -0.04 -1.26 -4.54 135.00 128.69 1spu n PRO 655 Ca 0.22 0.22 -0.42 0.00 -0.04 0.00 0.00 63.50 63.48 1spu n PRO 655 Cb 0.37 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 32.09 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 -3.90 6.76 -1.55 3.54 2.47 -1.26 -2.62 114.94 118.38 1spu s ASN 656 Ca 0.09 2.07 -0.03 0.00 0.42 0.00 0.00 52.86 55.41 1spu s ASN 656 Cb 0.13 -2.54 0.01 0.00 -1.45 0.00 0.00 41.25 37.40 1spu s ASN 656 CO 0.49 -0.87 0.27 0.54 -3.72 0.00 0.00 177.10 173.81 1spu n ARG 657 N 6.91 -3.12 -1.89 0.43 1.74 -1.26 -4.27 116.66 115.19 1spu n ARG 657 Ca 0.16 0.86 -0.39 0.00 -0.77 0.00 0.00 57.85 57.71 1spu n ARG 657 Cb 0.43 -5.60 0.01 0.00 -1.02 0.00 0.00 32.46 26.29 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 -2.35 5.94 -0.01 0.55 1.04 -1.08 -4.85 113.70 112.95 1spu s SER 658 Ca 0.15 2.80 0.22 0.00 0.48 0.00 0.00 55.95 59.59 1spu s SER 658 Cb -0.07 -2.64 -0.24 0.00 0.10 0.00 0.00 66.02 63.16 1spu s SER 658 CO 0.18 -1.12 0.73 0.35 0.98 0.00 0.00 173.24 174.37 1spu n THR 659 N -0.21 0.02 -3.75 2.02 -2.24 -1.26 -4.58 114.28 104.29 1spu n THR 659 Ca 0.05 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.49 1spu n THR 659 Cb 0.43 0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 69.09 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 -3.25 -0.11 -0.14 4.78 -3.43 -1.26 -4.86 115.29 107.02 1spu s HIS 660 Ca 0.01 -0.24 -0.29 0.00 -0.80 0.00 0.00 55.06 53.73 1spu s HIS 660 Cb 0.15 0.39 -0.04 0.00 -1.43 0.00 0.00 32.58 31.65 1spu s HIS 660 CO 0.88 -0.93 1.70 0.34 -2.00 0.00 0.00 174.74 174.74 1spu s ASP 661 N -2.88 6.41 0.00 7.38 -1.08 -1.24 -4.83 116.67 120.43 1spu s ASP 661 Ca 0.10 1.94 0.06 0.00 -0.52 0.00 0.00 52.55 54.13 1spu s ASP 661 Cb -0.01 -2.53 0.09 0.00 -1.46 0.00 0.00 42.92 39.01 1spu s ASP 661 CO -0.02 -1.18 0.85 0.35 0.52 0.00 0.00 175.17 175.69 1spu n THR 662 N 6.12 0.36 0.00 1.71 -2.24 -1.26 -3.94 114.28 115.02 1spu n THR 662 Ca 0.19 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1spu n THR 662 Cb 0.44 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 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 0.23 0.59 0.33 3.38 0.00 -1.26 -4.29 105.19 104.18 1spu n GLY 663 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 0.46 -0.64 0.99 3.38 -1.44 0.27 115.31 118.34 1spu h LEU 664 Ca 0.00 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1spu h LEU 664 Cb 0.00 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1spu h LEU 664 CO 0.00 0.31 0.32 1.23 0.09 0.00 0.00 178.44 180.39 1spu h GLY 665 N 0.53 0.93 1.36 0.83 0.00 -1.86 -1.94 103.07 102.93 1spu h GLY 665 Ca 0.22 -0.20 -0.31 0.00 0.00 0.00 0.00 47.33 47.03 1spu h GLY 665 CO -0.06 0.08 -1.43 -1.61 0.00 0.00 0.00 176.54 173.53 1spu h GLN 666 N 0.57 0.41 -0.63 4.80 4.15 -1.32 -2.97 115.11 120.12 1spu h GLN 666 Ca 0.30 -0.70 0.00 0.00 0.77 0.00 0.00 58.65 59.02 1spu h GLN 666 Cb 0.27 0.26 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 1spu h GLN 666 CO -0.23 1.33 0.39 1.88 -1.93 0.00 0.00 178.83 180.27 1spu h TYR 667 N 0.11 0.80 -0.00 3.99 0.05 -0.70 -2.83 116.97 118.41 1spu h TYR 667 Ca -0.22 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.57 1spu h TYR 667 Cb 2.08 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 39.56 1spu h TYR 667 CO 0.10 0.53 -0.97 -1.13 -1.05 0.00 0.00 178.16 175.63 1spu n SER 668 N -4.42 0.99 -0.32 3.88 3.41 -0.76 -4.57 113.62 111.83 1spu n SER 668 Ca 0.06 -0.98 0.28 0.00 -0.26 0.00 0.00 58.87 57.98 1spu n SER 668 Cb 0.06 0.96 0.52 0.00 -0.26 0.00 0.00 64.21 65.49 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 -1.48 -0.06 0.02 4.33 4.81 -1.07 0.91 118.16 125.62 1spu n LYS 669 Ca 0.04 1.39 0.13 0.00 -0.87 0.00 0.00 58.31 58.99 1spu n LYS 669 Cb 0.33 -2.43 0.53 0.00 0.02 0.00 0.00 35.03 33.49 1spu n LYS 669 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1spu n ASP 670 N -5.28 0.17 -3.73 3.14 8.00 -1.26 -4.96 116.55 112.63 1spu n ASP 670 Ca 0.34 0.52 -0.30 0.00 0.71 0.00 0.00 54.79 56.06 1spu n ASP 670 Cb 1.16 -0.56 0.02 0.00 -0.02 0.00 0.00 41.12 41.72 1spu n ASP 670 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1spu n ASN 671 N -1.66 -5.24 -4.91 -2.24 4.05 0.26 -4.95 115.26 100.56 1spu n ASN 671 Ca 0.06 -0.97 -0.27 0.00 0.45 0.00 0.00 54.58 53.85 1spu n ASN 671 Cb 0.33 -2.83 0.03 0.00 1.23 0.00 0.00 39.78 38.54 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 -5.76 2.95 0.32 1.20 2.02 -1.26 -4.58 118.70 113.58 1spu s GLU 672 Ca 0.33 0.07 -0.28 0.00 0.02 0.00 0.00 54.97 55.10 1spu s GLU 672 Cb -0.14 -2.24 -0.10 0.00 0.10 0.00 0.00 34.13 31.75 1spu s GLU 672 CO 0.88 -0.71 1.18 0.45 0.02 0.00 0.00 175.26 177.07 1spu s SER 673 N -4.30 6.99 -0.16 -0.19 0.15 -1.26 -1.01 113.70 113.93 1spu s SER 673 Ca 0.54 2.41 0.17 0.00 0.70 0.00 0.00 55.95 59.77 1spu s SER 673 Cb -0.11 -2.63 0.45 0.00 -1.71 0.00 0.00 66.02 62.03 1spu s SER 673 CO 0.46 -0.35 1.34 0.18 1.20 0.00 0.00 173.24 176.07 1spu n LEU 674 N 0.88 3.44 -4.58 3.45 4.77 0.12 -4.87 117.00 120.21 1spu n LEU 674 Ca 0.00 -2.98 -0.42 0.00 -0.03 0.00 0.00 56.01 52.58 1spu n LEU 674 Cb 0.44 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 1spu n LEU 674 CO 0.55 0.68 0.53 -0.62 -1.33 0.00 0.00 177.39 177.21 1spu s ASP 675 N -2.11 6.53 -1.14 -1.43 2.15 -1.25 -4.10 116.67 115.31 1spu s ASP 675 Ca 0.38 0.32 -0.26 0.00 0.43 0.00 0.00 52.55 53.43 1spu s ASP 675 Cb 0.31 -2.38 0.02 0.00 -0.30 0.00 0.00 42.92 40.57 1spu s ASP 675 CO 0.08 -0.70 0.72 -3.20 -0.17 0.00 0.00 175.17 171.90 1spu n ASN 676 N 6.33 -4.77 -4.06 -0.34 4.05 -0.76 -4.98 115.26 110.72 1spu n ASN 676 Ca 0.02 -1.13 -0.10 0.00 0.45 0.00 0.00 54.58 53.82 1spu n ASN 676 Cb 0.48 -2.43 -0.07 0.00 1.23 0.00 0.00 39.78 38.99 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 -3.44 0.01 -0.42 -0.44 -1.32 -0.28 -4.61 115.64 105.14 1spu s THR 677 Ca 0.44 -1.61 -0.29 0.00 -1.21 0.00 0.00 61.69 59.02 1spu s THR 677 Cb -0.20 -2.24 0.01 0.00 -1.51 0.00 0.00 72.50 68.56 1spu s THR 677 CO 0.92 -0.06 1.48 -0.62 -2.21 0.00 0.00 174.62 174.13 1spu s ASP 678 N -3.06 6.22 0.17 8.08 2.15 -1.23 -1.84 116.67 127.17 1spu s ASP 678 Ca 0.27 0.82 0.05 0.00 0.43 0.00 0.00 52.55 54.11 1spu s ASP 678 Cb 0.03 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.07 1spu s ASP 678 CO 0.08 -1.53 0.16 0.00 -0.17 0.00 0.00 175.17 173.71 1spu s ALA 679 N 5.80 3.62 -0.11 3.66 0.00 -1.26 -0.63 121.76 132.84 1spu s ALA 679 Ca 0.63 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1spu s ALA 679 Cb -0.14 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.58 1spu s ALA 679 CO 0.32 0.49 -0.13 0.08 0.00 0.00 0.00 175.76 176.51 1spu s VAL 680 N -1.78 1.37 0.01 0.00 1.01 -0.05 -4.20 120.40 116.76 1spu s VAL 680 Ca 0.31 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.60 1spu s VAL 680 Cb -0.10 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 34.94 1spu s VAL 680 CO 0.24 0.42 0.41 -0.69 0.00 0.00 0.00 175.10 175.49 1spu s VAL 681 N 1.22 5.02 -0.10 2.92 1.01 -0.17 -1.63 120.40 128.67 1spu s VAL 681 Ca -0.02 0.82 0.01 0.00 0.00 0.00 0.00 61.98 62.79 1spu s VAL 681 Cb -0.14 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.55 1spu s VAL 681 CO -0.05 0.55 -0.11 0.26 0.00 0.00 0.00 175.10 175.75 1spu s TRP 682 N -1.11 1.63 -0.18 5.22 0.52 0.12 0.56 118.94 125.70 1spu s TRP 682 Ca 0.25 -0.76 -0.02 0.00 0.02 0.00 0.00 56.10 55.60 1spu s TRP 682 Cb -0.17 -1.25 -0.00 0.00 -1.15 0.00 0.00 33.47 30.90 1spu s TRP 682 CO 0.14 -0.44 -0.10 -1.64 0.02 0.00 0.00 176.95 174.92 1spu s MET 683 N 1.21 3.29 -0.21 4.98 -1.94 -0.45 -1.33 119.30 124.85 1spu s MET 683 Ca -0.04 -0.69 -0.08 0.00 -1.71 0.00 0.00 55.69 53.18 1spu s MET 683 Cb -0.14 -2.80 -0.04 0.00 2.01 0.00 0.00 34.83 33.86 1spu s MET 683 CO -0.03 -0.08 0.08 0.99 -0.01 0.00 0.00 175.02 175.96 1spu s THR 684 N 1.11 4.74 0.04 2.05 2.01 -0.34 -0.66 115.64 124.60 1spu s THR 684 Ca 0.01 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 61.99 1spu s THR 684 Cb -0.14 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 1spu s THR 684 CO -0.03 0.41 -0.08 0.28 -0.69 0.00 0.00 174.62 174.51 1spu s THR 685 N 0.80 0.59 0.27 -0.82 -1.32 0.13 -4.55 115.64 110.73 1spu s THR 685 Ca 0.04 -1.08 -0.09 0.00 -1.21 0.00 0.00 61.69 59.35 1spu s THR 685 Cb -0.13 -0.64 0.04 0.00 -1.51 0.00 0.00 72.50 70.25 1spu s THR 685 CO 0.02 -0.36 0.52 0.61 -2.21 0.00 0.00 174.62 173.21 1spu n GLY 686 N 1.48 1.46 3.07 6.08 0.00 -1.26 -0.48 105.19 115.54 1spu n GLY 686 Ca -0.22 -1.24 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 1spu n GLY 686 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1spu s THR 687 N -2.42 0.16 -0.32 2.61 -4.23 -0.42 -2.96 115.64 108.06 1spu s THR 687 Ca 0.12 -1.35 -0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1spu s THR 687 Cb -0.03 -1.00 0.06 0.00 1.34 0.00 0.00 72.50 72.87 1spu s THR 687 CO 0.09 -0.74 0.03 -0.89 -0.54 0.00 0.00 174.62 172.57 1spu s THR 688 N -2.90 2.97 -0.49 3.99 2.01 0.18 -1.77 115.64 119.63 1spu s THR 688 Ca -0.03 -1.55 -0.18 0.00 0.31 0.00 0.00 61.69 60.24 1spu s THR 688 Cb 0.01 -2.79 0.06 0.00 0.01 0.00 0.00 72.50 69.79 1spu s THR 688 CO -0.06 -0.22 0.57 -2.28 -0.69 0.00 0.00 174.62 171.93 1spu s HIS 689 N 1.21 3.10 -0.24 4.92 5.04 0.14 -3.92 115.29 125.55 1spu s HIS 689 Ca -0.02 -0.61 -0.07 0.00 -1.54 0.00 0.00 55.06 52.82 1spu s HIS 689 Cb -0.20 -3.42 -0.03 0.00 0.04 0.00 0.00 32.58 28.97 1spu s HIS 689 CO -0.02 -0.96 0.06 0.08 -2.34 0.00 0.00 174.74 171.56 1spu s VAL 690 N 2.39 4.33 0.79 0.89 1.01 -1.26 -2.95 120.40 125.59 1spu s VAL 690 Ca 0.13 -0.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 1spu s VAL 690 Cb -0.20 -3.01 0.07 0.00 0.00 0.00 0.00 36.38 33.23 1spu s VAL 690 CO 0.11 0.36 1.09 0.00 0.00 0.00 0.00 175.10 176.65 1spu s ALA 691 N 1.44 2.17 0.05 5.51 0.00 -1.26 -5.03 121.76 124.63 1spu s ALA 691 Ca 0.05 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 1spu s ALA 691 Cb -0.15 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1spu s ALA 691 CO 0.03 -1.81 -0.03 1.03 0.00 0.00 0.00 175.76 174.98 1spu s ARG 692 N -4.95 0.60 0.45 0.00 0.52 -1.26 -4.61 118.95 109.71 1spu s ARG 692 Ca 0.61 -1.21 0.14 0.00 -0.52 0.00 0.00 55.73 54.76 1spu s ARG 692 Cb -0.17 0.21 1.01 0.00 0.52 0.00 0.00 34.95 36.52 1spu s ARG 692 CO 0.56 -0.11 2.00 0.00 0.02 0.00 0.00 175.30 177.77 1spu h ALA 693 N 3.18 1.71 0.00 2.13 0.00 -1.86 -2.40 119.26 122.03 1spu h ALA 693 Ca -0.34 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1spu h ALA 693 Cb 1.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1spu h ALA 693 CO 0.65 0.22 0.00 0.39 0.00 0.00 0.00 179.25 180.51 1spu n GLU 694 N -4.34 0.01 -0.20 0.00 4.71 -1.26 -2.20 120.64 117.36 1spu n GLU 694 Ca -0.02 0.34 0.09 0.00 -0.01 0.00 0.00 57.16 57.55 1spu n GLU 694 Cb 0.23 -1.53 0.20 0.00 -1.01 0.00 0.00 31.44 29.32 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 -1.56 2.42 -4.77 3.49 1.02 -0.90 -4.53 120.64 115.80 1spu n GLU 695 Ca 0.02 -2.15 -0.28 0.00 -0.02 0.00 0.00 57.16 54.73 1spu n GLU 695 Cb 0.13 -1.41 -0.17 0.00 -0.02 0.00 0.00 31.44 29.97 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 -1.14 2.00 -1.62 -0.32 -0.11 -0.93 -3.27 118.94 113.55 1spu s TRP 696 Ca 0.32 -0.84 0.29 0.00 1.22 0.00 0.00 56.10 57.10 1spu s TRP 696 Cb 0.18 -1.40 1.23 0.00 -1.50 0.00 0.00 33.47 31.98 1spu s TRP 696 CO 0.24 -0.39 1.86 -0.35 -4.62 0.00 0.00 176.95 173.70 1spu n PRO 697 N 3.82 0.65 -4.34 5.86 -0.04 -1.26 -5.00 135.00 134.69 1spu n PRO 697 Ca -0.21 -0.21 -0.18 0.00 -0.04 0.00 0.00 63.50 62.86 1spu n PRO 697 Cb 0.52 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 1spu n PRO 697 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1spu s ILE 698 N -2.50 0.68 -0.30 0.52 2.07 -1.22 -4.59 121.20 115.86 1spu s ILE 698 Ca 0.28 -0.39 -0.25 0.00 -1.41 0.00 0.00 60.65 58.88 1spu s ILE 698 Cb 0.20 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 42.22 1spu s ILE 698 CO 0.48 0.18 0.89 -0.04 -1.91 0.00 0.00 174.94 174.53 1spu s MET 699 N -0.24 4.04 0.15 3.50 -1.94 0.89 -4.52 119.30 121.18 1spu s MET 699 Ca 0.03 0.81 -0.34 0.00 -1.71 0.00 0.00 55.69 54.48 1spu s MET 699 Cb -0.03 -3.71 -0.14 0.00 2.01 0.00 0.00 34.83 32.95 1spu s MET 699 CO -0.00 -0.71 1.54 -2.30 -0.01 0.00 0.00 175.02 173.53 1spu n PRO 700 N 6.36 1.98 -1.64 2.03 -0.02 -1.26 -4.00 135.00 138.44 1spu n PRO 700 Ca 0.07 0.71 -0.47 0.00 -2.02 0.00 0.00 63.50 61.79 1spu n PRO 700 Cb 0.48 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 1spu n PRO 700 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1spu n THR 701 N 3.26 0.42 -4.98 3.45 -1.04 -1.26 -4.79 114.28 109.34 1spu n THR 701 Ca 0.17 -0.11 -0.32 0.00 -2.04 0.00 0.00 64.05 61.75 1spu n THR 701 Cb 0.27 -1.28 -0.14 0.00 -1.82 0.00 0.00 70.33 67.37 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 0.23 2.42 0.18 -2.82 0.41 -0.27 -4.89 118.70 113.96 1spu s GLU 702 Ca 0.76 -0.75 0.09 0.00 -0.41 0.00 0.00 54.97 54.66 1spu s GLU 702 Cb -0.75 -2.30 -0.04 0.00 -1.78 0.00 0.00 34.13 29.26 1spu s GLU 702 CO 0.45 0.61 -0.19 -1.58 -0.49 0.00 0.00 175.26 174.06 1spu s TRP 703 N -0.70 1.89 0.04 1.61 0.52 -1.26 0.20 118.94 121.24 1spu s TRP 703 Ca 0.11 -0.46 0.04 0.00 0.02 0.00 0.00 56.10 55.82 1spu s TRP 703 Cb -0.10 -0.93 -0.02 0.00 -1.15 0.00 0.00 33.47 31.27 1spu s TRP 703 CO 0.00 0.38 -0.13 0.14 0.02 0.00 0.00 176.95 177.36 1spu s VAL 704 N -2.13 0.99 0.03 4.03 -7.23 -0.59 -0.87 120.40 114.64 1spu s VAL 704 Ca 0.18 -1.03 0.06 0.00 -1.81 0.00 0.00 61.98 59.38 1spu s VAL 704 Cb -0.05 -0.93 -0.02 0.00 0.56 0.00 0.00 36.38 35.94 1spu s VAL 704 CO 0.08 -0.09 -0.17 -1.00 -0.31 0.00 0.00 175.10 173.60 1spu s HIS 705 N -0.97 1.51 0.09 2.82 0.09 -0.10 -1.69 115.29 117.04 1spu s HIS 705 Ca -0.01 -0.34 0.02 0.00 -0.00 0.00 0.00 55.06 54.73 1spu s HIS 705 Cb -0.08 -0.92 -0.04 0.00 -0.00 0.00 0.00 32.58 31.54 1spu s HIS 705 CO 0.01 0.04 -0.07 0.95 -0.00 0.00 0.00 174.74 175.68 1spu s THR 706 N -0.71 0.67 -0.00 1.30 -4.23 -0.51 -0.27 115.64 111.89 1spu s THR 706 Ca 0.05 -1.85 -0.14 0.00 -1.18 0.00 0.00 61.69 58.58 1spu s THR 706 Cb -0.08 -1.57 0.02 0.00 1.34 0.00 0.00 72.50 72.21 1spu s THR 706 CO 0.01 -0.83 0.29 -0.22 -0.54 0.00 0.00 174.62 173.33 1spu s LEU 707 N -2.90 0.96 -0.23 4.79 2.96 -0.66 -2.29 118.68 121.32 1spu s LEU 707 Ca 0.10 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 1spu s LEU 707 Cb 0.04 1.20 0.07 0.00 0.50 0.00 0.00 46.19 47.99 1spu s LEU 707 CO -0.04 -0.46 0.03 -0.76 -1.32 0.00 0.00 176.35 173.79 1spu s LEU 708 N -1.44 1.78 -0.03 -0.68 1.43 0.11 -0.93 118.68 118.92 1spu s LEU 708 Ca -0.13 -1.09 0.05 0.00 -1.03 0.00 0.00 54.13 51.93 1spu s LEU 708 Cb -0.05 -0.81 -0.02 0.00 0.03 0.00 0.00 46.19 45.34 1spu s LEU 708 CO 0.03 -0.31 -0.18 -0.54 0.23 0.00 0.00 176.35 175.58 1spu s LYS 709 N 1.68 2.35 0.21 1.70 1.02 -0.41 -0.25 119.74 126.04 1spu s LYS 709 Ca 0.00 -0.79 -0.32 0.00 0.02 0.00 0.00 55.97 54.88 1spu s LYS 709 Cb -0.18 -2.26 -0.12 0.00 -0.52 0.00 0.00 37.83 34.75 1spu s LYS 709 CO -0.11 0.60 1.71 -0.35 -0.92 0.00 0.00 175.35 176.28 1spu n PRO 710 N 2.29 2.76 -3.77 -1.68 -0.04 -1.26 0.54 135.00 133.83 1spu n PRO 710 Ca -0.17 1.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.99 1spu n PRO 710 Cb 0.52 -2.84 -0.15 0.00 -0.04 0.00 0.00 33.50 31.00 1spu n PRO 710 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 1spu s TRP 711 N 1.09 2.08 -1.64 0.54 -0.11 0.29 -4.74 118.94 116.45 1spu s TRP 711 Ca 0.74 -2.08 0.00 0.00 1.22 0.00 0.00 56.10 55.98 1spu s TRP 711 Cb -0.51 -1.94 0.00 0.00 -1.50 0.00 0.00 33.47 29.52 1spu s TRP 711 CO 0.33 -0.87 0.00 0.09 -4.62 0.00 0.00 176.95 171.89 1spu n ASN 712 N 4.47 -5.01 0.03 5.86 3.02 -1.26 -1.22 115.26 121.15 1spu n ASN 712 Ca 0.01 0.23 -0.19 0.00 -0.03 0.00 0.00 54.58 54.59 1spu n ASN 712 Cb 0.40 -4.05 -0.11 0.00 -0.61 0.00 0.00 39.78 35.42 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 0.90 -1.23 3.10 3.57 -1.85 -3.33 116.94 118.11 1spu h PHE 713 Ca -0.37 -0.50 -0.45 0.00 3.53 0.00 0.00 57.97 60.19 1spu h PHE 713 Cb 1.19 -0.10 0.02 0.00 2.79 0.00 0.00 35.95 39.85 1spu h PHE 713 CO 0.46 1.33 -0.19 -0.06 -2.23 0.00 0.00 178.31 177.63 1spu s PHE 714 N -3.26 2.25 -1.73 0.41 0.08 -1.26 -4.84 117.98 109.63 1spu s PHE 714 Ca -0.11 -0.51 0.17 0.00 0.12 0.00 0.00 56.93 56.60 1spu s PHE 714 Cb 0.06 -2.33 0.03 0.00 -0.57 0.00 0.00 43.02 40.21 1spu s PHE 714 CO 0.89 -0.73 0.93 -0.25 -0.10 0.00 0.00 175.22 175.96 1spu n ASP 715 N -2.03 1.89 -3.80 1.36 8.00 -1.26 -4.80 116.55 115.91 1spu n ASP 715 Ca 0.11 -1.45 0.03 0.00 0.71 0.00 0.00 54.79 54.19 1spu n ASP 715 Cb 0.60 0.35 0.01 0.00 -0.02 0.00 0.00 41.12 42.06 1spu n ASP 715 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1spu n GLU 716 N 0.18 0.18 -1.50 -1.24 0.28 -1.26 -4.95 120.64 112.33 1spu n GLU 716 Ca 0.08 -0.76 -0.58 0.00 -0.16 0.00 0.00 57.16 55.74 1spu n GLU 716 Cb 0.38 1.26 -0.09 0.00 1.43 0.00 0.00 31.44 34.42 1spu n GLU 716 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1spu n THR 717 N -0.91 0.14 0.32 3.84 -1.04 -1.26 -4.80 114.28 110.57 1spu n THR 717 Ca 0.04 -0.09 0.15 0.00 -2.04 0.00 0.00 64.05 62.11 1spu n THR 717 Cb 0.57 -1.04 0.66 0.00 -1.82 0.00 0.00 70.33 68.70 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 8.96 0.00 -0.73 -2.82 0.11 -1.97 -3.21 132.00 132.34 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 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 179.06 1spu n THR 719 N -2.63 0.98 -0.00 -1.15 -2.24 -1.26 -4.42 114.28 103.55 1spu n THR 719 Ca 0.01 -0.99 -0.04 0.00 -2.27 0.00 0.00 64.05 60.76 1spu n THR 719 Cb 0.21 0.51 0.17 0.00 -2.10 0.00 0.00 70.33 69.12 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 4.34 0.54 0.00 3.22 3.38 -1.95 -3.49 115.31 121.35 1spu h LEU 720 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1spu h LEU 720 Cb 0.99 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1spu h LEU 720 CO 0.00 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.93 1spu n GLY 721 N -0.32 0.64 3.77 0.83 0.00 -1.26 -5.01 105.19 103.85 1spu n GLY 721 Ca -0.00 -2.19 -0.38 0.00 0.00 0.00 0.00 46.02 43.44 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 -1.04 3.20 0.01 4.61 0.00 -1.26 -4.99 121.76 122.30 1spu s ALA 722 Ca 0.00 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 1spu s ALA 722 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1spu s ALA 722 CO 0.00 -0.34 1.21 -0.51 0.00 0.00 0.00 175.76 176.12 1spu s LEU 723 N -2.26 4.33 0.00 0.00 1.43 -1.26 -5.27 118.68 115.65 1spu s LEU 723 Ca 0.54 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.58 1spu s LEU 723 Cb -0.28 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.37 1spu s LEU 723 CO 0.36 -0.52 0.49 0.29 0.23 0.00 0.00 176.35 177.20