#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2weu s ILE 2 N 0.00 3.26 0.00 2.02 -4.36 -1.26 -4.66 121.20 116.19 2weu s ILE 2 Ca 0.00 0.36 0.00 0.00 -0.26 0.00 0.00 60.65 60.75 2weu s ILE 2 Cb 0.00 -3.40 0.00 0.00 1.25 0.00 0.00 42.46 40.31 2weu s ILE 2 CO 0.00 -0.51 0.00 -1.14 0.24 0.00 0.00 174.94 173.53 2weu n ARG 3 N -3.02 2.15 -4.17 0.37 0.63 -1.26 -5.00 116.66 106.35 2weu n ARG 3 Ca 0.07 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.84 2weu n ARG 3 Cb 0.58 -0.94 -0.13 0.00 0.45 0.00 0.00 32.46 32.42 2weu n ARG 3 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2weu s SER 4 N -3.20 0.92 -0.05 6.15 1.04 -1.26 -1.00 113.70 116.30 2weu s SER 4 Ca 0.00 -0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.13 2weu s SER 4 Cb 0.00 -0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.09 2weu s SER 4 CO 0.00 -0.04 -0.14 -0.69 0.98 0.00 0.00 173.24 173.35 2weu s VAL 5 N -0.72 1.23 -0.21 5.02 1.01 0.41 -1.93 120.40 125.22 2weu s VAL 5 Ca -0.02 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 2weu s VAL 5 Cb -0.06 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.23 2weu s VAL 5 CO 0.00 0.37 -0.11 -0.69 0.00 0.00 0.00 175.10 174.68 2weu s VAL 6 N 0.39 2.82 -0.25 2.92 1.01 0.03 -1.06 120.40 126.26 2weu s VAL 6 Ca -0.10 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 2weu s VAL 6 Cb -0.14 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2weu s VAL 6 CO 0.03 0.45 0.14 -0.63 0.00 0.00 0.00 175.10 175.09 2weu s ILE 7 N 1.39 5.07 -0.39 2.22 1.01 0.74 -0.86 121.20 130.39 2weu s ILE 7 Ca 0.05 0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.67 2weu s ILE 7 Cb -0.14 -3.37 0.03 0.00 0.01 0.00 0.00 42.46 38.99 2weu s ILE 7 CO -0.07 0.33 0.23 -0.69 0.00 0.00 0.00 174.94 174.74 2weu s VAL 8 N 1.32 4.66 0.00 2.92 1.01 0.18 -0.42 120.40 130.07 2weu s VAL 8 Ca 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2weu s VAL 8 Cb -0.15 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2weu s VAL 8 CO 0.06 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.48 2weu n GLY 9 N 5.02 2.86 0.00 4.51 0.00 0.76 -0.06 105.19 118.27 2weu n GLY 9 Ca -0.12 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2weu n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2weu n GLY 10 N 0.99 0.67 7.00 -0.02 0.00 -1.26 -4.14 105.19 108.42 2weu n GLY 10 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2weu n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2weu n GLY 11 N 5.00 -0.50 0.15 -0.02 0.00 -1.26 -1.87 105.19 106.69 2weu n GLY 11 Ca 0.00 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 2weu n GLY 11 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2weu h THR 12 N 0.00 1.15 -0.01 2.61 2.02 -1.94 -2.40 112.91 114.34 2weu h THR 12 Ca 0.00 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 2weu h THR 12 Cb 0.00 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2weu h THR 12 CO 0.00 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.05 2weu h ALA 13 N 1.02 0.01 -0.32 6.16 0.00 -1.91 0.32 119.26 124.53 2weu h ALA 13 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2weu h ALA 13 Cb 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2weu h ALA 13 CO -0.01 -0.41 0.16 0.78 0.00 0.00 0.00 179.25 179.77 2weu h GLY 14 N -0.14 0.49 2.00 0.00 0.00 -1.40 -2.13 103.07 101.89 2weu h GLY 14 Ca 0.00 -0.24 -0.17 0.00 0.00 0.00 0.00 47.33 46.93 2weu h GLY 14 CO -0.00 0.23 -0.79 1.49 0.00 0.00 0.00 176.54 177.46 2weu h TRP 15 N 0.39 0.00 -0.74 5.60 4.06 -1.43 -0.67 115.95 123.16 2weu h TRP 15 Ca 0.11 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.02 2weu h TRP 15 Cb 0.10 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.23 2weu h TRP 15 CO -0.02 0.79 0.31 0.52 -3.56 0.00 0.00 178.44 176.48 2weu h MET 16 N 0.00 1.09 -0.21 0.49 2.86 -0.92 -1.68 114.93 116.56 2weu h MET 16 Ca -0.01 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 2weu h MET 16 Cb 1.59 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 33.06 2weu h MET 16 CO 0.10 0.89 -0.02 1.15 1.06 0.00 0.00 176.91 180.10 2weu h THR 17 N 1.06 1.27 -0.11 2.22 2.02 -1.19 -1.80 112.91 116.38 2weu h THR 17 Ca 0.25 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 2weu h THR 17 Cb 0.19 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2weu h THR 17 CO -0.02 0.29 0.06 0.00 0.37 0.00 0.00 175.52 176.21 2weu h ALA 18 N 0.78 0.14 -0.56 6.16 0.00 -1.08 -1.04 119.26 123.65 2weu h ALA 18 Ca 0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2weu h ALA 18 Cb 0.43 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2weu h ALA 18 CO 0.01 -0.33 -0.03 0.66 0.00 0.00 0.00 179.25 179.57 2weu h SER 19 N 0.08 0.97 -0.26 0.00 4.64 -1.34 -2.78 113.55 114.86 2weu h SER 19 Ca 0.04 -0.28 -0.10 0.00 -0.47 0.00 0.00 61.79 60.98 2weu h SER 19 Cb 0.07 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.90 2weu h SER 19 CO -0.01 1.04 -0.22 0.22 -0.87 0.00 0.00 176.83 176.99 2weu h TYR 20 N 0.90 0.73 -0.76 4.77 3.20 -1.16 -0.78 116.97 123.86 2weu h TYR 20 Ca 0.16 -0.21 0.10 0.00 3.14 0.00 0.00 58.73 61.92 2weu h TYR 20 Cb 0.56 -0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.60 2weu h TYR 20 CO 0.04 0.91 0.40 -0.07 -1.64 0.00 0.00 178.16 177.80 2weu h LEU 21 N 0.33 0.53 -0.44 2.82 3.38 -1.15 0.28 115.31 121.06 2weu h LEU 21 Ca 0.05 0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 2weu h LEU 21 Cb 0.77 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 2weu h LEU 21 CO 0.06 0.29 -0.65 0.11 0.09 0.00 0.00 178.44 178.34 2weu h LYS 22 N 0.66 0.49 -0.59 1.13 1.79 -1.42 -0.03 116.57 118.59 2weu h LYS 22 Ca 0.38 -0.36 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2weu h LYS 22 Cb 0.41 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.09 2weu h LYS 22 CO -0.28 0.98 0.34 0.00 -1.08 0.00 0.00 179.45 179.41 2weu h ALA 23 N 0.93 0.76 -0.03 3.86 0.00 -0.57 0.63 119.26 124.85 2weu h ALA 23 Ca -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2weu h ALA 23 Cb 1.22 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2weu h ALA 23 CO 0.12 0.27 -0.12 0.00 0.00 0.00 0.00 179.25 179.52 2weu h ALA 24 N 1.16 0.05 -0.00 0.00 0.00 -0.34 -3.39 119.26 116.74 2weu h ALA 24 Ca 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2weu h ALA 24 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2weu h ALA 24 CO -0.04 -0.04 -0.33 1.19 0.00 0.00 0.00 179.25 180.03 2weu n PHE 25 N -4.65 0.00 0.00 0.00 3.72 -0.04 -5.08 117.46 111.42 2weu n PHE 25 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2weu n PHE 25 Cb 0.39 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 2weu n PHE 25 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2weu n ASP 26 N -0.80 0.00 -0.14 4.37 2.03 0.21 -0.43 116.55 121.79 2weu n ASP 26 Ca 0.03 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.35 2weu n ASP 26 Cb 0.17 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.60 2weu n ASP 26 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2weu n ASP 27 N 2.90 0.39 -1.68 1.67 5.75 -1.26 -3.42 116.55 120.89 2weu n ASP 27 Ca 0.00 -2.00 0.07 0.00 -0.01 0.00 0.00 54.79 52.85 2weu n ASP 27 Cb 0.00 -0.06 0.36 0.00 -1.03 0.00 0.00 41.12 40.39 2weu n ASP 27 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2weu n ARG 28 N -0.29 4.20 -3.75 0.11 1.74 0.42 -4.84 116.66 114.25 2weu n ARG 28 Ca 0.02 -2.82 -0.13 0.00 -0.77 0.00 0.00 57.85 54.16 2weu n ARG 28 Cb 0.07 -2.07 -0.10 0.00 -1.02 0.00 0.00 32.46 29.33 2weu n ARG 28 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2weu s ILE 29 N -2.31 0.00 -0.14 0.55 1.10 -1.22 -4.95 121.20 114.23 2weu s ILE 29 Ca 0.49 -0.00 -0.11 0.00 -0.51 0.00 0.00 60.65 60.52 2weu s ILE 29 Cb 0.35 -0.52 -0.05 0.00 0.15 0.00 0.00 42.46 42.40 2weu s ILE 29 CO 0.18 -0.00 0.21 -1.81 -2.11 0.00 0.00 174.94 171.41 2weu s ASP 30 N 0.18 6.40 -0.06 4.50 1.01 -0.17 -4.92 116.67 123.61 2weu s ASP 30 Ca -0.00 0.47 0.02 0.00 0.71 0.00 0.00 52.55 53.75 2weu s ASP 30 Cb -0.03 -2.13 0.01 0.00 1.01 0.00 0.00 42.92 41.79 2weu s ASP 30 CO 0.01 0.24 -0.10 -0.69 0.21 0.00 0.00 175.17 174.83 2weu s VAL 31 N -0.20 0.99 -0.05 -1.27 1.01 -1.26 -0.45 120.40 119.17 2weu s VAL 31 Ca 0.14 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.77 2weu s VAL 31 Cb -0.13 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 2weu s VAL 31 CO 0.03 0.32 -0.20 -0.89 0.00 0.00 0.00 175.10 174.37 2weu s THR 32 N 0.66 1.64 -0.17 3.92 2.01 -0.22 -1.16 115.64 122.32 2weu s THR 32 Ca -0.13 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 2weu s THR 32 Cb -0.15 -1.41 -0.00 0.00 0.01 0.00 0.00 72.50 70.95 2weu s THR 32 CO 0.03 0.47 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.07 2weu s LEU 33 N 0.02 2.53 -0.22 4.42 0.20 -0.01 -0.18 118.68 125.44 2weu s LEU 33 Ca -0.05 -0.47 -0.06 0.00 0.69 0.00 0.00 54.13 54.23 2weu s LEU 33 Cb -0.13 -1.59 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 2weu s LEU 33 CO 0.03 0.05 0.03 -0.69 -0.29 0.00 0.00 176.35 175.48 2weu s VAL 34 N 1.03 4.19 0.03 1.68 1.01 0.45 -0.80 120.40 128.00 2weu s VAL 34 Ca -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 2weu s VAL 34 Cb -0.15 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 2weu s VAL 34 CO -0.03 0.40 -0.02 -1.83 0.00 0.00 0.00 175.10 173.62 2weu s GLU 35 N 1.17 0.45 0.56 2.72 -1.05 -0.59 -0.17 118.70 121.79 2weu s GLU 35 Ca 0.04 -0.85 -0.18 0.00 -0.15 0.00 0.00 54.97 53.82 2weu s GLU 35 Cb -0.14 0.16 -0.05 0.00 -0.44 0.00 0.00 34.13 33.66 2weu s GLU 35 CO 0.02 -0.08 1.09 0.45 0.95 0.00 0.00 175.26 177.69 2weu s SER 36 N -2.07 5.77 -0.50 0.83 0.15 -1.21 -1.55 113.70 115.11 2weu s SER 36 Ca -0.06 2.01 -0.14 0.00 0.70 0.00 0.00 55.95 58.46 2weu s SER 36 Cb -0.02 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.84 2weu s SER 36 CO -0.05 -1.18 0.43 -0.83 1.20 0.00 0.00 173.24 172.81 2weu s GLY 37 N -2.19 2.06 0.00 9.45 0.00 -1.26 -4.86 107.32 110.52 2weu s GLY 37 Ca 0.68 -2.46 0.00 0.00 0.00 0.00 0.00 44.72 42.95 2weu s GLY 37 CO 0.30 1.14 0.00 -0.62 0.00 0.00 0.00 173.10 173.92 2weu n VAL 44 N 5.13 0.00 0.00 1.40 0.31 -1.26 -5.11 118.33 118.80 2weu n VAL 44 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2weu n VAL 44 Cb 0.41 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 2weu n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2weu n GLY 45 N 0.00 4.30 3.11 2.92 0.00 -1.26 -3.96 105.19 110.29 2weu n GLY 45 Ca 0.00 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 2weu n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2weu s GLU 46 N -4.25 0.58 0.24 1.61 2.12 -0.13 -4.93 118.70 113.93 2weu s GLU 46 Ca 0.00 -0.81 0.09 0.00 0.36 0.00 0.00 54.97 54.62 2weu s GLU 46 Cb 0.00 0.22 -0.04 0.00 0.26 0.00 0.00 34.13 34.57 2weu s GLU 46 CO 0.00 -0.14 -0.04 0.00 -0.54 0.00 0.00 175.26 174.54 2weu s ALA 47 N -2.72 3.08 0.45 6.30 0.00 -1.26 -0.84 121.76 126.77 2weu s ALA 47 Ca -0.04 -1.62 0.03 0.00 0.00 0.00 0.00 51.96 50.33 2weu s ALA 47 Cb -0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 2weu s ALA 47 CO -0.05 0.32 0.07 0.95 0.00 0.00 0.00 175.76 177.04 2weu s THR 48 N -2.18 0.92 0.48 0.00 -4.23 -0.41 -4.66 115.64 105.57 2weu s THR 48 Ca 0.30 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.77 2weu s THR 48 Cb -0.07 -2.30 -0.02 0.00 1.34 0.00 0.00 72.50 71.45 2weu s THR 48 CO 0.18 0.00 0.76 -0.36 -0.54 0.00 0.00 174.62 174.67 2weu s PHE 49 N -3.04 3.45 0.45 3.99 0.40 -1.26 -4.53 117.98 117.44 2weu s PHE 49 Ca 0.16 0.65 0.21 0.00 -0.60 0.00 0.00 56.93 57.35 2weu s PHE 49 Cb 0.03 -2.34 1.25 0.00 0.51 0.00 0.00 43.02 42.47 2weu s PHE 49 CO 0.09 -0.35 2.05 0.66 0.70 0.00 0.00 175.22 178.37 2weu h SER 50 N 0.23 0.00 0.52 1.36 4.64 -1.89 -2.69 113.55 115.72 2weu h SER 50 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2weu h SER 50 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2weu h SER 50 CO 0.61 0.14 0.00 0.35 -0.87 0.00 0.00 176.83 177.06 2weu n THR 51 N -4.02 0.23 0.31 2.95 -2.24 -1.26 -2.71 114.28 107.53 2weu n THR 51 Ca -0.02 0.06 0.18 0.00 -2.27 0.00 0.00 64.05 61.99 2weu n THR 51 Cb 0.23 -0.65 0.96 0.00 -2.10 0.00 0.00 70.33 68.77 2weu n THR 51 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2weu h VAL 52 N 0.00 0.00 0.00 2.28 3.04 -1.88 -1.70 116.25 117.99 2weu h VAL 52 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2weu h VAL 52 Cb 0.26 0.78 -0.00 0.00 -2.01 0.00 0.00 31.29 30.32 2weu h VAL 52 CO 0.00 0.00 -0.02 0.08 -1.01 0.00 0.00 177.57 176.62 2weu h ARG 53 N 0.00 0.00 -0.87 4.17 0.11 -1.76 -2.21 114.38 113.82 2weu h ARG 53 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2weu h ARG 53 Cb 0.26 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.30 2weu h ARG 53 CO 0.00 0.02 0.47 0.45 0.10 0.00 0.00 179.97 181.01 2weu h HIS 54 N 0.00 1.20 0.30 4.08 3.86 -1.58 0.05 115.15 123.06 2weu h HIS 54 Ca -0.00 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2weu h HIS 54 Cb 0.03 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.12 2weu h HIS 54 CO 0.00 0.83 -0.14 0.35 0.86 0.00 0.00 177.93 179.83 2weu h PHE 55 N 1.22 -0.37 -0.67 2.45 3.57 -1.57 -2.01 116.94 119.57 2weu h PHE 55 Ca 0.31 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 2weu h PHE 55 Cb 0.04 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 2weu h PHE 55 CO 0.01 -0.07 0.28 0.74 -2.23 0.00 0.00 178.31 177.03 2weu h PHE 56 N -0.66 1.00 -0.39 0.41 0.04 -1.36 -2.10 116.94 113.88 2weu h PHE 56 Ca -0.04 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.62 2weu h PHE 56 Cb 0.46 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 2weu h PHE 56 CO 0.01 0.78 0.07 -0.44 -0.60 0.00 0.00 178.31 178.13 2weu h ASP 57 N 0.94 0.54 -0.69 2.17 5.19 -1.05 -0.46 116.42 123.06 2weu h ASP 57 Ca 0.22 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 2weu h ASP 57 Cb 0.19 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.53 2weu h ASP 57 CO -0.02 0.56 0.39 0.22 -3.12 0.00 0.00 179.24 177.26 2weu h TYR 58 N 0.57 0.94 0.00 4.55 3.20 -0.76 -1.41 116.97 124.06 2weu h TYR 58 Ca 0.13 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2weu h TYR 58 Cb 0.25 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 2weu h TYR 58 CO 0.01 0.66 -0.11 -0.07 -1.64 0.00 0.00 178.16 177.01 2weu h LEU 59 N 0.95 0.00 0.00 2.82 4.07 -0.91 -3.44 115.31 118.80 2weu h LEU 59 Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.20 2weu h LEU 59 Cb 0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.77 2weu h LEU 59 CO -0.04 0.11 0.00 0.61 -1.08 0.00 0.00 178.44 178.04 2weu n GLY 60 N -0.10 1.01 3.88 0.83 0.00 -0.27 -5.05 105.19 105.49 2weu n GLY 60 Ca -0.00 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 2weu n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2weu s LEU 61 N 0.00 4.39 -0.11 0.99 1.43 -0.65 -5.01 118.68 119.73 2weu s LEU 61 Ca 0.00 0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.56 2weu s LEU 61 Cb 0.00 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 2weu s LEU 61 CO 0.00 0.38 0.03 -0.62 0.23 0.00 0.00 176.35 176.37 2weu s ASP 62 N -1.18 5.44 0.51 2.29 2.15 -1.26 -4.42 116.67 120.21 2weu s ASP 62 Ca 0.18 0.17 0.20 0.00 0.43 0.00 0.00 52.55 53.53 2weu s ASP 62 Cb -0.13 -1.65 1.28 0.00 -0.30 0.00 0.00 42.92 42.13 2weu s ASP 62 CO 0.07 0.35 2.04 1.05 -0.17 0.00 0.00 175.17 178.51 2weu h GLU 63 N 5.40 0.08 0.00 4.34 4.11 -1.99 -0.57 114.58 125.95 2weu h GLU 63 Ca -0.49 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.91 2weu h GLU 63 Cb 1.20 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2weu h GLU 63 CO 0.57 0.05 -0.13 0.00 0.07 0.00 0.00 179.01 179.58 2weu h ARG 64 N 0.08 0.00 0.66 1.06 3.08 -1.94 0.00 114.38 117.32 2weu h ARG 64 Ca 0.17 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 2weu h ARG 64 Cb 0.58 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.64 2weu h ARG 64 CO -0.01 0.13 -0.32 0.93 -1.07 0.00 0.00 179.97 179.62 2weu h GLU 65 N 0.00 -0.86 0.00 0.04 5.08 -1.48 -3.42 114.58 113.94 2weu h GLU 65 Ca -0.00 0.06 -0.33 0.00 -1.00 0.00 0.00 59.36 58.09 2weu h GLU 65 Cb 0.35 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 2weu h GLU 65 CO 0.02 -0.54 -2.31 -2.67 -1.00 0.00 0.00 179.01 172.51 2weu n TRP 66 N -5.38 0.07 -0.11 4.33 4.27 -1.00 -4.36 117.44 115.26 2weu n TRP 66 Ca -0.12 0.02 -0.09 0.00 -3.89 0.00 0.00 57.50 53.43 2weu n TRP 66 Cb 0.37 -0.97 -0.01 0.00 -1.36 0.00 0.00 31.31 29.34 2weu n TRP 66 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 2weu h LEU 67 N 0.00 0.42 -0.88 5.67 5.85 -1.26 -0.59 115.31 124.53 2weu h LEU 67 Ca -0.48 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 2weu h LEU 67 Cb 2.12 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 43.00 2weu h LEU 67 CO 0.03 0.33 0.41 -0.65 -0.34 0.00 0.00 178.44 178.22 2weu h PRO 68 N 0.47 1.22 0.00 5.25 0.11 -1.78 0.48 132.00 137.75 2weu h PRO 68 Ca 0.13 -0.18 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 2weu h PRO 68 Cb -0.02 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 2weu h PRO 68 CO -0.03 0.93 -0.19 -0.09 -0.21 0.00 0.00 178.00 178.41 2weu h ARG 69 N 1.21 0.00 -0.85 1.05 2.43 -1.63 -2.75 114.38 113.84 2weu h ARG 69 Ca 0.29 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.21 2weu h ARG 69 Cb 0.11 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 29.51 2weu h ARG 69 CO -0.04 0.19 0.32 0.00 -1.51 0.00 0.00 179.97 178.93 2weu n ALA 71 N -0.28 -1.17 -1.74 0.00 0.00 -1.04 -1.07 120.51 115.22 2weu n ALA 71 Ca 0.39 0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.68 2weu n ALA 71 Cb 1.31 -3.78 0.05 0.00 0.00 0.00 0.00 19.45 17.02 2weu n ALA 71 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2weu s GLY 72 N -3.03 1.65 0.31 0.00 0.00 0.08 -1.42 107.32 104.90 2weu s GLY 72 Ca 0.55 -0.14 0.03 0.00 0.00 0.00 0.00 44.72 45.15 2weu s GLY 72 CO 0.67 0.20 0.32 -0.32 0.00 0.00 0.00 173.10 173.97 2weu s GLY 73 N -4.09 1.92 -0.04 0.20 0.00 0.34 -3.73 107.32 101.93 2weu s GLY 73 Ca 0.58 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2weu s GLY 73 CO 0.54 -1.31 -0.01 -0.19 0.00 0.00 0.00 173.10 172.13 2weu s TYR 74 N -3.45 3.07 -0.19 1.90 1.51 -1.26 -1.45 117.35 117.48 2weu s TYR 74 Ca 0.37 0.10 0.01 0.00 -1.01 0.00 0.00 57.07 56.55 2weu s TYR 74 Cb 0.02 -1.71 0.03 0.00 -0.11 0.00 0.00 41.96 40.19 2weu s TYR 74 CO 0.23 0.44 -0.18 0.21 -1.11 0.00 0.00 175.55 175.14 2weu s LYS 75 N -1.22 2.81 0.00 -0.62 2.20 -0.05 -3.57 119.74 119.29 2weu s LYS 75 Ca 0.16 -0.91 0.24 0.00 -0.36 0.00 0.00 55.97 55.10 2weu s LYS 75 Cb -0.11 -2.61 0.27 0.00 -1.51 0.00 0.00 37.83 33.87 2weu s LYS 75 CO 0.06 -0.28 1.25 1.28 -0.36 0.00 0.00 175.35 177.30 2weu n LEU 76 N 4.59 0.76 0.00 5.43 4.77 0.10 0.11 117.00 132.76 2weu n LEU 76 Ca -0.19 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 2weu n LEU 76 Cb 0.48 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2weu n LEU 76 CO 0.25 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2weu n GLY 77 N 1.48 -0.44 3.24 -0.72 0.00 -1.26 -1.93 105.19 105.57 2weu n GLY 77 Ca 0.06 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 2weu n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2weu s ILE 78 N -3.00 1.93 -0.35 -0.61 1.01 0.02 -2.07 121.20 118.13 2weu s ILE 78 Ca 0.00 -1.00 -0.19 0.00 0.00 0.00 0.00 60.65 59.46 2weu s ILE 78 Cb 0.00 -1.63 -0.00 0.00 0.01 0.00 0.00 42.46 40.83 2weu s ILE 78 CO 0.00 0.54 0.55 -0.60 0.00 0.00 0.00 174.94 175.43 2weu s ARG 79 N -0.14 3.65 -0.36 2.79 3.52 0.57 -0.41 118.95 128.57 2weu s ARG 79 Ca -0.03 -0.09 -0.16 0.00 -0.13 0.00 0.00 55.73 55.32 2weu s ARG 79 Cb -0.13 -3.81 -0.01 0.00 -1.56 0.00 0.00 34.95 29.45 2weu s ARG 79 CO 0.03 -0.66 0.39 -0.06 -0.81 0.00 0.00 175.30 174.19 2weu s PHE 80 N 2.48 3.20 -0.03 5.12 0.08 -0.21 -0.26 117.98 128.35 2weu s PHE 80 Ca 0.20 -0.06 0.07 0.00 0.12 0.00 0.00 56.93 57.26 2weu s PHE 80 Cb -0.15 -2.73 -0.01 0.00 -0.57 0.00 0.00 43.02 39.55 2weu s PHE 80 CO 0.14 -0.49 -0.24 -1.21 -0.10 0.00 0.00 175.22 173.32 2weu s GLU 81 N 2.07 2.12 -1.40 0.44 2.02 -0.53 -2.32 118.70 121.10 2weu s GLU 81 Ca 0.12 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.27 2weu s GLU 81 Cb -0.17 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.13 2weu s GLU 81 CO 0.12 0.45 0.00 0.09 0.02 0.00 0.00 175.26 175.94 2weu n ASN 82 N 2.70 -4.59 0.18 -0.19 3.02 -0.65 -1.44 115.26 114.29 2weu n ASN 82 Ca -0.16 0.33 0.06 0.00 -0.03 0.00 0.00 54.58 54.77 2weu n ASN 82 Cb 0.52 -3.25 0.20 0.00 -0.61 0.00 0.00 39.78 36.64 2weu n ASN 82 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 2weu h TRP 83 N 0.00 0.00 0.00 3.10 4.06 -1.86 -3.41 115.95 117.84 2weu h TRP 83 Ca -0.27 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.68 2weu h TRP 83 Cb 0.86 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.02 2weu h TRP 83 CO 0.37 0.35 0.00 0.43 -3.56 0.00 0.00 178.44 176.03 2weu n SER 84 N -3.28 0.00 -4.72 -3.49 7.64 -1.26 -2.28 113.62 106.23 2weu n SER 84 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.48 2weu n SER 84 Cb 0.60 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.77 2weu n SER 84 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2weu s GLU 85 N 1.09 4.40 0.16 1.43 0.41 -1.26 -4.17 118.70 120.76 2weu s GLU 85 Ca 0.00 1.93 -0.34 0.00 -0.41 0.00 0.00 54.97 56.15 2weu s GLU 85 Cb 0.00 -3.28 -0.14 0.00 -1.78 0.00 0.00 34.13 28.93 2weu s GLU 85 CO 0.00 -0.29 1.50 -2.30 -0.49 0.00 0.00 175.26 173.68 2weu n PRO 86 N 3.52 1.93 -0.42 0.39 -0.02 -1.26 -1.38 135.00 137.77 2weu n PRO 86 Ca 0.09 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2weu n PRO 86 Cb 0.44 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2weu n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2weu n GLY 87 N 3.03 1.87 3.89 -1.23 0.00 -1.26 -5.03 105.19 106.46 2weu n GLY 87 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2weu n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2weu s GLU 88 N -0.11 3.68 0.25 1.61 2.02 -0.48 -4.88 118.70 120.80 2weu s GLU 88 Ca 0.00 0.10 -0.15 0.00 0.02 0.00 0.00 54.97 54.94 2weu s GLU 88 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.59 2weu s GLU 88 CO 0.00 0.24 0.55 1.52 0.02 0.00 0.00 175.26 177.58 2weu s TYR 89 N -2.01 0.18 0.25 1.61 -0.85 -1.26 -1.64 117.35 113.63 2weu s TYR 89 Ca 0.45 -0.57 -0.18 0.00 -0.52 0.00 0.00 57.07 56.25 2weu s TYR 89 Cb -0.11 0.34 0.02 0.00 0.38 0.00 0.00 41.96 42.59 2weu s TYR 89 CO 0.27 -1.05 0.62 -0.59 -1.52 0.00 0.00 175.55 173.28 2weu s PHE 90 N -3.98 -0.05 -0.01 -3.49 -0.12 -0.98 -5.00 117.98 104.34 2weu s PHE 90 Ca 0.18 -0.36 0.04 0.00 -0.05 0.00 0.00 56.93 56.74 2weu s PHE 90 Cb -0.02 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 2weu s PHE 90 CO 0.08 -1.11 -0.12 0.71 -0.05 0.00 0.00 175.22 174.72 2weu s TYR 91 N -3.93 2.74 -0.38 3.49 2.02 -1.26 -1.05 117.35 118.97 2weu s TYR 91 Ca 0.13 -0.13 -0.12 0.00 -0.37 0.00 0.00 57.07 56.58 2weu s TYR 91 Cb -0.04 -1.59 0.03 0.00 -0.40 0.00 0.00 41.96 39.96 2weu s TYR 91 CO 0.05 0.27 0.23 -1.58 -1.57 0.00 0.00 175.55 172.95 2weu s HIS 92 N -0.86 3.24 0.36 2.71 5.65 0.45 -4.92 115.29 121.93 2weu s HIS 92 Ca 0.14 -0.89 0.07 0.00 0.25 0.00 0.00 55.06 54.63 2weu s HIS 92 Cb -0.11 -2.47 -0.01 0.00 -1.18 0.00 0.00 32.58 28.82 2weu s HIS 92 CO 0.04 -0.64 0.48 -1.25 -0.65 0.00 0.00 174.74 172.72 2weu s PRO 93 N 1.58 2.96 -1.32 2.88 0.04 -1.26 -0.80 135.00 139.07 2weu s PRO 93 Ca 0.03 -1.14 -0.10 0.00 0.04 0.00 0.00 61.00 59.83 2weu s PRO 93 Cb -0.19 -2.74 0.14 0.00 0.04 0.00 0.00 34.50 31.74 2weu s PRO 93 CO 0.07 -0.05 1.99 1.19 0.04 0.00 0.00 177.00 180.25 2weu n PHE 94 N -1.67 2.99 -3.65 0.56 3.72 -0.81 -4.89 117.46 113.71 2weu n PHE 94 Ca 0.02 -2.82 -0.07 0.00 -0.05 0.00 0.00 57.45 54.53 2weu n PHE 94 Cb 0.59 -2.05 -0.07 0.00 -0.94 0.00 0.00 39.48 37.00 2weu n PHE 94 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2weu s GLU 95 N 0.80 0.64 0.49 -1.08 2.12 -1.26 -4.32 118.70 116.09 2weu s GLU 95 Ca 0.42 1.18 -0.17 0.00 0.36 0.00 0.00 54.97 56.77 2weu s GLU 95 Cb 0.11 0.20 -0.08 0.00 0.26 0.00 0.00 34.13 34.62 2weu s GLU 95 CO -0.02 -0.16 0.97 1.03 -0.54 0.00 0.00 175.26 176.54 2weu s ARG 96 N 1.77 3.98 0.32 4.30 0.52 -1.26 -5.00 118.95 123.58 2weu s ARG 96 Ca -0.09 0.95 -0.28 0.00 -0.52 0.00 0.00 55.73 55.78 2weu s ARG 96 Cb -0.06 -2.16 -0.09 0.00 0.52 0.00 0.00 34.95 33.15 2weu s ARG 96 CO -0.19 -0.22 1.13 -0.51 0.02 0.00 0.00 175.30 175.54 2weu s LEU 97 N -3.92 4.44 0.67 2.53 1.43 -1.26 -5.03 118.68 117.54 2weu s LEU 97 Ca 0.59 2.31 -0.14 0.00 -1.03 0.00 0.00 54.13 55.86 2weu s LEU 97 Cb -0.10 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.38 2weu s LEU 97 CO 0.29 -0.30 1.08 -0.13 0.23 0.00 0.00 176.35 177.51 2weu s ARG 98 N -1.72 2.87 -0.11 1.70 0.52 -1.26 -4.82 118.95 116.12 2weu s ARG 98 Ca 0.48 1.23 0.02 0.00 -0.52 0.00 0.00 55.73 56.94 2weu s ARG 98 Cb -0.32 -1.97 0.01 0.00 0.52 0.00 0.00 34.95 33.19 2weu s ARG 98 CO 0.41 -1.17 -0.19 0.08 0.02 0.00 0.00 175.30 174.45 2weu s VAL 99 N -2.59 1.75 -0.10 3.52 1.01 -1.26 -0.92 120.40 121.82 2weu s VAL 99 Ca 0.63 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2weu s VAL 99 Cb -0.18 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.65 2weu s VAL 99 CO 0.45 0.49 -0.19 -0.69 0.00 0.00 0.00 175.10 175.16 2weu s VAL 100 N 0.77 1.74 -1.69 2.92 1.01 -0.39 -4.79 120.40 119.97 2weu s VAL 100 Ca -0.10 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 2weu s VAL 100 Cb -0.16 -1.54 0.15 0.00 0.00 0.00 0.00 36.38 34.84 2weu s VAL 100 CO 0.01 0.49 0.82 0.47 0.00 0.00 0.00 175.10 176.89 2weu n ASP 101 N 3.78 -3.53 0.00 3.32 8.00 -1.26 -1.49 116.55 125.36 2weu n ASP 101 Ca -0.20 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.32 2weu n ASP 101 Cb 0.52 -2.89 0.00 0.00 -0.02 0.00 0.00 41.12 38.73 2weu n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2weu n GLY 102 N -1.42 0.92 3.17 0.44 0.00 -1.26 -5.04 105.19 101.99 2weu n GLY 102 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 2weu n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2weu s PHE 103 N -3.18 1.82 0.88 1.61 0.40 -0.56 -5.11 117.98 113.85 2weu s PHE 103 Ca 0.00 -0.49 -0.12 0.00 -0.60 0.00 0.00 56.93 55.72 2weu s PHE 103 Cb 0.00 -1.21 0.12 0.00 0.51 0.00 0.00 43.02 42.44 2weu s PHE 103 CO 0.00 -0.15 1.10 0.54 0.70 0.00 0.00 175.22 177.42 2weu s ASN 104 N -0.09 3.71 0.48 1.36 2.20 -1.26 -1.26 114.94 120.08 2weu s ASN 104 Ca -0.01 1.28 0.25 0.00 -0.94 0.00 0.00 52.86 53.43 2weu s ASN 104 Cb -0.11 -1.95 1.20 0.00 -2.00 0.00 0.00 41.25 38.39 2weu s ASN 104 CO 0.02 -2.46 1.96 0.24 -2.94 0.00 0.00 177.10 173.92 2weu h MET 105 N -1.43 0.00 -0.27 3.55 2.86 -1.35 -2.36 114.93 115.93 2weu h MET 105 Ca -0.50 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.12 2weu h MET 105 Cb 1.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 2weu h MET 105 CO 0.58 0.18 0.09 0.00 1.06 0.00 0.00 176.91 178.82 2weu h ALA 106 N 1.82 0.36 -0.48 6.32 0.00 -1.92 0.28 119.26 125.64 2weu h ALA 106 Ca -0.00 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2weu h ALA 106 Cb 0.51 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2weu h ALA 106 CO 0.02 -0.01 0.26 0.93 0.00 0.00 0.00 179.25 180.45 2weu h GLU 107 N 0.28 0.50 -0.42 0.00 4.39 -1.81 -1.04 114.58 116.48 2weu h GLU 107 Ca 0.09 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.67 2weu h GLU 107 Cb 0.23 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2weu h GLU 107 CO -0.00 0.33 -0.12 -1.49 -1.16 0.00 0.00 179.01 176.57 2weu h TRP 108 N 0.51 0.82 -0.52 4.33 4.06 -1.22 -2.64 115.95 121.30 2weu h TRP 108 Ca 0.20 -0.15 0.04 0.00 2.06 0.00 0.00 58.89 61.04 2weu h TRP 108 Cb 0.08 -0.21 -0.04 0.00 -1.00 0.00 0.00 29.16 27.99 2weu h TRP 108 CO -0.09 0.83 0.28 2.35 -3.56 0.00 0.00 178.44 178.25 2weu h TRP 109 N 0.68 0.52 -0.87 0.49 7.01 0.08 0.29 115.95 124.16 2weu h TRP 109 Ca 0.11 0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.21 2weu h TRP 109 Cb 0.59 -0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 27.43 2weu h TRP 109 CO 0.03 0.28 0.56 -0.07 -2.79 0.00 0.00 178.44 176.45 2weu h LEU 110 N 0.55 0.81 0.05 0.65 3.38 -0.95 -0.70 115.31 119.11 2weu h LEU 110 Ca 0.22 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 2weu h LEU 110 Cb 0.09 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2weu h LEU 110 CO -0.13 0.50 -0.76 0.00 0.09 0.00 0.00 178.44 178.14 2weu h ALA 111 N 1.55 0.08 0.00 1.53 0.00 -0.94 -3.42 119.26 118.05 2weu h ALA 111 Ca 0.39 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2weu h ALA 111 Cb 0.30 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2weu h ALA 111 CO -0.15 0.42 -0.09 1.33 0.00 0.00 0.00 179.25 180.76 2weu n VAL 112 N -4.32 0.74 0.00 0.00 0.24 0.91 -4.96 118.33 110.95 2weu n VAL 112 Ca -0.19 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.29 2weu n VAL 112 Cb 0.69 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.54 2weu n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2weu n GLY 113 N -0.48 1.75 0.00 7.63 0.00 -0.27 -4.97 105.19 108.85 2weu n GLY 113 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2weu n GLY 113 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2weu n ASP 114 N -0.34 0.00 -1.84 1.61 -0.08 -1.25 -5.09 116.55 109.56 2weu n ASP 114 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2weu n ASP 114 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2weu n ASP 114 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2weu n THR 117 N 0.00 -5.69 -1.08 5.18 -1.04 -1.26 -5.03 114.28 105.37 2weu n THR 117 Ca 0.00 2.62 -0.33 0.00 -2.04 0.00 0.00 64.05 64.29 2weu n THR 117 Cb 0.00 -3.43 0.13 0.00 -1.82 0.00 0.00 70.33 65.21 2weu n THR 117 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2weu n SER 118 N 0.48 0.96 -0.08 8.00 3.41 -1.26 -4.78 113.62 120.35 2weu n SER 118 Ca 0.00 0.57 -0.07 0.00 -0.26 0.00 0.00 58.87 59.12 2weu n SER 118 Cb 0.00 -1.50 -0.01 0.00 -0.26 0.00 0.00 64.21 62.44 2weu n SER 118 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2weu h PHE 119 N -0.97 -0.57 -0.09 7.33 3.57 -1.95 -1.79 116.94 122.47 2weu h PHE 119 Ca -0.46 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 60.97 2weu h PHE 119 Cb 1.30 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 40.32 2weu h PHE 119 CO 0.46 -0.29 -0.42 0.66 -2.23 0.00 0.00 178.31 176.48 2weu h SER 120 N -0.18 0.21 -0.37 0.41 4.64 -1.91 -1.02 113.55 115.32 2weu h SER 120 Ca 0.16 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.27 2weu h SER 120 Cb 0.44 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2weu h SER 120 CO -0.43 0.62 -0.24 -0.08 -0.87 0.00 0.00 176.83 175.83 2weu h GLU 121 N 0.17 0.88 -0.05 4.77 4.81 -1.79 -2.47 114.58 120.89 2weu h GLU 121 Ca 0.01 -0.38 -0.18 0.00 -0.13 0.00 0.00 59.36 58.69 2weu h GLU 121 Cb 0.82 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 2weu h GLU 121 CO 0.06 1.02 -0.73 0.00 -0.73 0.00 0.00 179.01 178.63 2weu h ALA 122 N 0.96 0.65 0.00 2.92 0.00 -0.96 -3.37 119.26 119.46 2weu h ALA 122 Ca 0.10 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2weu h ALA 122 Cb 0.79 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2weu h ALA 122 CO 0.07 0.79 -1.90 0.00 0.00 0.00 0.00 179.25 178.21 2weu s TYR 124 N -3.42 1.51 0.32 0.00 2.02 -0.93 -4.76 117.35 112.09 2weu s TYR 124 Ca -0.07 -0.69 0.08 0.00 -0.37 0.00 0.00 57.07 56.02 2weu s TYR 124 Cb 0.13 -1.19 0.80 0.00 -0.40 0.00 0.00 41.96 41.31 2weu s TYR 124 CO 0.86 -0.43 1.77 -0.07 -1.57 0.00 0.00 175.55 176.12 2weu h LEU 125 N 7.68 0.73 -1.08 -1.29 3.38 -1.88 -2.52 115.31 120.33 2weu h LEU 125 Ca -0.31 0.10 0.21 0.00 0.09 0.00 0.00 57.88 57.97 2weu h LEU 125 Cb 1.15 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.77 2weu h LEU 125 CO 0.44 0.23 0.61 0.74 0.09 0.00 0.00 178.44 180.56 2weu h THR 126 N 0.69 0.65 -0.33 0.22 2.02 -1.94 -2.30 112.91 111.93 2weu h THR 126 Ca 0.59 -0.23 0.06 0.00 0.77 0.00 0.00 66.41 67.60 2weu h THR 126 Cb 1.00 -0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 2weu h THR 126 CO -0.38 0.12 -0.07 -0.74 0.37 0.00 0.00 175.52 174.82 2weu h HIS 127 N 0.66 -0.15 0.00 3.16 -0.00 -1.69 -0.55 115.15 116.59 2weu h HIS 127 Ca 0.59 0.03 -0.19 0.00 -0.00 0.00 0.00 60.37 60.80 2weu h HIS 127 Cb 1.05 0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 28.55 2weu h HIS 127 CO -0.00 -0.13 -0.91 0.00 -0.00 0.00 0.00 177.93 176.89 2weu h ARG 128 N 0.01 0.00 -0.48 5.26 3.08 -1.60 -1.72 114.38 118.94 2weu h ARG 128 Ca 0.16 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.27 2weu h ARG 128 Cb 0.24 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 2weu h ARG 128 CO -0.33 0.90 0.17 -0.07 -1.07 0.00 0.00 179.97 179.57 2weu h LEU 129 N 0.00 0.17 -0.32 3.04 4.07 -1.17 -1.30 115.31 119.80 2weu h LEU 129 Ca -0.01 0.06 -0.06 0.00 0.08 0.00 0.00 57.88 57.95 2weu h LEU 129 Cb 1.70 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 43.47 2weu h LEU 129 CO 0.12 0.13 -0.03 0.00 -1.08 0.00 0.00 178.44 177.57 2weu h GLU 131 N 0.38 0.66 -0.16 0.00 4.39 -1.13 -1.35 114.58 117.36 2weu h GLU 131 Ca 0.09 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2weu h GLU 131 Cb 0.50 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2weu h GLU 131 CO 0.02 0.44 0.00 0.00 -1.16 0.00 0.00 179.01 178.31 2weu n ALA 132 N -2.46 2.51 -3.96 3.43 0.00 -0.51 -4.95 120.51 114.57 2weu n ALA 132 Ca 0.05 -0.58 -0.29 0.00 0.00 0.00 0.00 53.44 52.62 2weu n ALA 132 Cb 0.07 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2weu n ALA 132 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2weu n LYS 133 N 0.52 -4.32 -2.67 0.00 5.02 -0.51 -4.92 118.16 111.29 2weu n LYS 133 Ca 0.17 0.50 -0.33 0.00 -2.02 0.00 0.00 58.31 56.63 2weu n LYS 133 Cb 0.39 -5.10 -0.06 0.00 -0.02 0.00 0.00 35.03 30.24 2weu n LYS 133 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2weu s ARG 134 N -6.56 4.12 0.56 1.97 1.81 -0.12 -0.99 118.95 119.74 2weu s ARG 134 Ca 0.40 1.08 -0.14 0.00 -1.72 0.00 0.00 55.73 55.34 2weu s ARG 134 Cb -0.21 -2.16 -0.06 0.00 -0.45 0.00 0.00 34.95 32.07 2weu s ARG 134 CO 0.86 -0.12 1.01 0.00 -0.68 0.00 0.00 175.30 176.37 2weu s ALA 135 N -2.32 3.07 -2.13 2.13 0.00 -0.47 -4.29 121.76 117.76 2weu s ALA 135 Ca 0.61 0.08 0.24 0.00 0.00 0.00 0.00 51.96 52.88 2weu s ALA 135 Cb -0.10 -3.11 1.21 0.00 0.00 0.00 0.00 23.12 21.13 2weu s ALA 135 CO 0.19 -0.44 1.80 -0.35 0.00 0.00 0.00 175.76 176.96 2weu n PRO 136 N -2.08 1.25 -4.27 0.00 -0.04 -1.26 -4.73 135.00 123.88 2weu n PRO 136 Ca 0.06 -0.38 -0.18 0.00 -0.04 0.00 0.00 63.50 62.96 2weu n PRO 136 Cb 0.54 -1.39 -0.13 0.00 -0.04 0.00 0.00 33.50 32.48 2weu n PRO 136 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2weu s ARG 137 N -1.95 0.80 0.75 0.54 0.52 -1.26 -1.33 118.95 117.02 2weu s ARG 137 Ca 0.35 -0.71 -0.11 0.00 -0.52 0.00 0.00 55.73 54.74 2weu s ARG 137 Cb 0.17 -0.76 0.04 0.00 0.52 0.00 0.00 34.95 34.92 2weu s ARG 137 CO 0.28 0.18 1.08 -1.64 0.02 0.00 0.00 175.30 175.22 2weu s MET 138 N -1.15 2.46 0.53 3.54 -1.94 0.30 -4.49 119.30 118.55 2weu s MET 138 Ca -0.01 0.88 0.19 0.00 -1.71 0.00 0.00 55.69 55.05 2weu s MET 138 Cb -0.08 -1.94 1.38 0.00 2.01 0.00 0.00 34.83 36.21 2weu s MET 138 CO 0.01 -1.42 2.16 -0.07 -0.01 0.00 0.00 175.02 175.69 2weu h LEU 139 N -0.95 0.00 0.00 -0.03 3.38 -1.94 0.47 115.31 116.23 2weu h LEU 139 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2weu h LEU 139 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2weu h LEU 139 CO 0.56 0.01 0.00 -0.90 0.09 0.00 0.00 178.44 178.21 2weu n ASP 140 N -4.36 0.00 0.00 -0.43 5.68 -1.26 -4.86 116.55 111.32 2weu n ASP 140 Ca -0.03 -0.64 0.00 0.00 -0.50 0.00 0.00 54.79 53.62 2weu n ASP 140 Cb 0.10 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 2weu n ASP 140 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2weu n GLY 141 N 0.37 0.48 3.77 6.12 0.00 0.16 -5.05 105.19 111.04 2weu n GLY 141 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2weu n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2weu s SER 142 N -2.56 7.02 0.31 1.61 1.04 -1.24 -4.70 113.70 115.20 2weu s SER 142 Ca 0.00 2.15 -0.27 0.00 0.48 0.00 0.00 55.95 58.31 2weu s SER 142 Cb 0.00 -2.61 -0.09 0.00 0.10 0.00 0.00 66.02 63.42 2weu s SER 142 CO 0.00 -0.31 1.03 -0.22 0.98 0.00 0.00 173.24 174.72 2weu s LEU 143 N -2.02 4.41 0.47 2.42 2.96 -1.26 -0.54 118.68 125.13 2weu s LEU 143 Ca 0.51 2.07 0.21 0.00 -0.22 0.00 0.00 54.13 56.69 2weu s LEU 143 Cb -0.27 -3.85 1.18 0.00 0.50 0.00 0.00 46.19 43.75 2weu s LEU 143 CO 0.34 -0.17 2.01 2.19 -1.32 0.00 0.00 176.35 179.40 2weu h PHE 144 N 3.38 0.00 0.00 5.38 -0.00 -1.58 -3.47 116.94 120.66 2weu h PHE 144 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.50 2weu h PHE 144 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.16 2weu h PHE 144 CO 0.59 0.18 -0.01 0.00 -0.00 0.00 0.00 178.31 179.07 2weu h ALA 145 N 1.82 0.00 -2.48 12.09 0.00 -1.93 -3.52 119.26 125.24 2weu h ALA 145 Ca -0.00 -0.19 -0.53 0.00 0.00 0.00 0.00 54.91 54.18 2weu h ALA 145 Cb 0.38 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2weu h ALA 145 CO 0.02 0.01 0.51 -1.12 0.00 0.00 0.00 179.25 178.67 2weu s SER 151 N -3.43 7.16 0.14 0.00 0.01 -1.26 -5.17 113.70 111.15 2weu s SER 151 Ca -0.00 1.95 0.25 0.00 1.31 0.00 0.00 55.95 59.45 2weu s SER 151 Cb 0.00 -2.58 0.93 0.00 0.21 0.00 0.00 66.02 64.58 2weu s SER 151 CO 0.00 -0.40 1.76 0.18 0.41 0.00 0.00 173.24 175.19 2weu n LEU 152 N 3.77 0.45 0.00 2.44 4.77 -1.26 -5.01 117.00 122.17 2weu n LEU 152 Ca 0.08 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 2weu n LEU 152 Cb 0.47 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2weu n LEU 152 CO 0.55 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2weu n GLY 153 N 0.87 2.52 3.37 -0.72 0.00 -1.26 -4.04 105.19 105.92 2weu n GLY 153 Ca 0.05 -0.43 -0.46 0.00 0.00 0.00 0.00 46.02 45.18 2weu n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2weu s ARG 154 N 0.00 3.52 0.23 1.61 0.52 -1.26 -2.51 118.95 121.06 2weu s ARG 154 Ca 0.00 -2.12 0.02 0.00 -0.52 0.00 0.00 55.73 53.11 2weu s ARG 154 Cb 0.00 -4.55 -0.05 0.00 0.52 0.00 0.00 34.95 30.87 2weu s ARG 154 CO 0.00 -1.45 0.04 -1.54 0.02 0.00 0.00 175.30 172.36 2weu s SER 155 N 2.78 1.52 0.48 0.23 1.04 -1.26 -5.03 113.70 113.46 2weu s SER 155 Ca 0.21 -1.28 0.03 0.00 0.48 0.00 0.00 55.95 55.39 2weu s SER 155 Cb -0.11 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 2weu s SER 155 CO -0.07 -0.60 0.01 0.42 0.98 0.00 0.00 173.24 173.97 2weu s THR 156 N -3.58 1.36 0.40 2.02 -4.23 -1.26 -4.58 115.64 105.77 2weu s THR 156 Ca 0.31 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.02 2weu s THR 156 Cb 0.07 -2.38 0.40 0.00 1.34 0.00 0.00 72.50 71.93 2weu s THR 156 CO 0.10 0.00 1.76 -0.07 -0.54 0.00 0.00 174.62 175.87 2weu h LEU 157 N 1.47 0.42 -2.29 4.79 3.38 -1.94 0.19 115.31 121.33 2weu h LEU 157 Ca -0.44 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2weu h LEU 157 Cb 1.30 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2weu h LEU 157 CO 0.76 0.06 0.00 0.00 0.09 0.00 0.00 178.44 179.35 2weu h ALA 158 N 1.62 1.00 -0.39 1.53 0.00 -2.00 -2.05 119.26 118.97 2weu h ALA 158 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.52 2weu h ALA 158 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2weu h ALA 158 CO -0.31 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.33 2weu n GLU 159 N -2.78 2.26 -1.69 0.00 4.71 0.05 -4.90 120.64 118.29 2weu n GLU 159 Ca -0.02 -1.92 -0.43 0.00 -0.01 0.00 0.00 57.16 54.78 2weu n GLU 159 Cb 0.08 -1.46 -0.03 0.00 -1.01 0.00 0.00 31.44 29.02 2weu n GLU 159 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 2weu n GLN 160 N 1.10 2.67 0.00 3.49 7.27 -0.77 -4.88 117.38 126.26 2weu n GLN 160 Ca 0.18 0.97 0.00 0.00 0.07 0.00 0.00 57.00 58.22 2weu n GLN 160 Cb 0.50 -2.84 0.00 0.00 2.41 0.00 0.00 30.24 30.31 2weu n GLN 160 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2weu n ARG 161 N 5.11 0.00 -1.84 3.69 5.12 -1.26 -5.05 116.66 122.43 2weu n ARG 161 Ca 0.18 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.74 2weu n ARG 161 Cb 0.35 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.70 2weu n ARG 161 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2weu s ALA 162 N -2.00 2.43 -0.40 7.54 0.00 -1.26 -4.94 121.76 123.13 2weu s ALA 162 Ca 0.00 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 2weu s ALA 162 Cb 0.00 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.66 2weu s ALA 162 CO 0.00 -1.38 1.41 -1.14 0.00 0.00 0.00 175.76 174.64 2weu s GLN 163 N -3.49 3.61 0.28 0.00 2.00 -1.26 -5.01 119.66 115.80 2weu s GLN 163 Ca 0.77 0.99 -0.29 0.00 -2.00 0.00 0.00 55.36 54.83 2weu s GLN 163 Cb -0.31 -4.01 -0.10 0.00 0.80 0.00 0.00 33.01 29.39 2weu s GLN 163 CO 0.37 -1.51 1.24 0.12 -0.50 0.00 0.00 175.29 175.00 2weu s PHE 164 N 5.32 3.27 -2.37 1.67 5.36 -1.26 -4.92 117.98 125.05 2weu s PHE 164 Ca 0.61 1.47 0.28 0.00 -0.96 0.00 0.00 56.93 58.33 2weu s PHE 164 Cb -0.14 -3.53 1.22 0.00 -0.34 0.00 0.00 43.02 40.22 2weu s PHE 164 CO 0.31 -1.43 1.84 -0.35 -1.46 0.00 0.00 175.22 174.13 2weu n PRO 165 N 1.33 1.51 -3.66 10.12 -0.04 -1.26 -4.79 135.00 138.21 2weu n PRO 165 Ca 0.01 -0.75 -0.10 0.00 -0.04 0.00 0.00 63.50 62.62 2weu n PRO 165 Cb 0.43 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 2weu n PRO 165 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2weu s TYR 166 N -1.99 -0.17 0.00 0.54 -0.85 -1.26 -4.59 117.35 109.03 2weu s TYR 166 Ca 0.40 -0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.79 2weu s TYR 166 Cb 0.21 0.24 0.00 0.00 0.38 0.00 0.00 41.96 42.79 2weu s TYR 166 CO 0.34 -0.71 0.00 0.00 -1.52 0.00 0.00 175.55 173.66 2weu n ALA 167 N -0.22 0.00 -2.47 9.51 0.00 0.12 -4.34 120.51 123.10 2weu n ALA 167 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.02 2weu n ALA 167 Cb 0.64 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.96 2weu n ALA 167 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2weu s TYR 168 N 0.00 2.03 -0.11 0.00 1.51 -1.26 -0.87 117.35 118.65 2weu s TYR 168 Ca 0.00 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.62 2weu s TYR 168 Cb 0.00 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.71 2weu s TYR 168 CO 0.00 0.26 0.03 -1.01 -1.11 0.00 0.00 175.55 173.73 2weu s HIS 169 N -1.11 3.24 0.17 2.71 3.76 -0.53 -1.29 115.29 122.25 2weu s HIS 169 Ca 0.10 0.21 -0.21 0.00 -0.15 0.00 0.00 55.06 55.01 2weu s HIS 169 Cb -0.10 -1.86 0.05 0.00 1.11 0.00 0.00 32.58 31.79 2weu s HIS 169 CO 0.05 0.46 0.58 -0.59 -0.85 0.00 0.00 174.74 174.38 2weu s PHE 170 N -0.71 -0.41 -0.62 1.40 -0.00 -0.02 -0.50 117.98 117.13 2weu s PHE 170 Ca 0.12 0.14 -0.28 0.00 -0.00 0.00 0.00 56.93 56.91 2weu s PHE 170 Cb -0.12 0.52 0.02 0.00 -0.00 0.00 0.00 43.02 43.44 2weu s PHE 170 CO 0.02 -0.88 1.39 0.34 -0.00 0.00 0.00 175.22 176.09 2weu s ASP 171 N -2.79 6.10 0.44 1.98 -1.08 -0.23 -0.96 116.67 120.12 2weu s ASP 171 Ca 0.03 0.07 0.13 0.00 -0.52 0.00 0.00 52.55 52.26 2weu s ASP 171 Cb -0.01 -2.55 0.96 0.00 -1.46 0.00 0.00 42.92 39.86 2weu s ASP 171 CO -0.09 -1.78 1.99 0.00 0.52 0.00 0.00 175.17 175.81 2weu h ALA 172 N 10.95 1.68 -0.72 3.66 0.00 -1.91 -1.32 119.26 131.58 2weu h ALA 172 Ca -0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2weu h ALA 172 Cb 1.08 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2weu h ALA 172 CO 1.21 0.24 0.41 -0.44 0.00 0.00 0.00 179.25 180.68 2weu h ASP 173 N 0.10 0.89 0.03 0.00 3.32 -1.98 -0.79 116.42 117.99 2weu h ASP 173 Ca 0.02 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.86 2weu h ASP 173 Cb 0.28 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2weu h ASP 173 CO 0.02 0.71 -0.43 -0.33 -1.72 0.00 0.00 179.24 177.49 2weu h GLU 174 N 0.99 0.49 -0.55 3.56 4.39 -1.65 -1.54 114.58 120.26 2weu h GLU 174 Ca 0.26 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2weu h GLU 174 Cb 0.01 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2weu h GLU 174 CO -0.04 0.83 0.13 0.28 -1.16 0.00 0.00 179.01 179.05 2weu h VAL 175 N 0.40 1.25 -0.56 3.13 2.07 -1.02 0.04 116.25 121.56 2weu h VAL 175 Ca 0.03 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.68 2weu h VAL 175 Cb 0.91 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2weu h VAL 175 CO 0.08 0.32 0.37 0.00 0.02 0.00 0.00 177.57 178.36 2weu h ALA 176 N 1.02 0.71 -0.29 1.67 0.00 -0.92 -0.10 119.26 121.34 2weu h ALA 176 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2weu h ALA 176 Cb 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2weu h ALA 176 CO 0.00 0.14 0.19 -0.09 0.00 0.00 0.00 179.25 179.49 2weu h ARG 177 N 0.75 0.38 -0.31 0.00 2.43 -0.98 0.12 114.38 116.76 2weu h ARG 177 Ca 0.21 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 2weu h ARG 177 Cb -0.08 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 2weu h ARG 177 CO -0.05 0.25 0.07 -0.92 -1.51 0.00 0.00 179.97 177.82 2weu h TYR 178 N 0.39 0.13 -0.37 2.20 3.20 -0.47 -2.08 116.97 119.96 2weu h TYR 178 Ca 0.11 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 2weu h TYR 178 Cb -0.04 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 2weu h TYR 178 CO -0.06 0.04 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.18 2weu h LEU 179 N 0.19 0.78 -0.85 2.82 3.38 -0.70 -2.03 115.31 118.90 2weu h LEU 179 Ca 0.14 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.91 2weu h LEU 179 Cb 0.14 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 2weu h LEU 179 CO -0.18 0.99 0.51 0.77 0.09 0.00 0.00 178.44 180.63 2weu h SER 180 N 0.66 0.76 -0.40 -0.43 4.64 -0.35 0.20 113.55 118.63 2weu h SER 180 Ca 0.09 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 2weu h SER 180 Cb 0.76 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 2weu h SER 180 CO 0.06 0.46 0.05 -0.33 -0.87 0.00 0.00 176.83 176.19 2weu h GLU 181 N 0.88 0.67 -0.37 4.77 5.08 -0.88 -0.54 114.58 124.18 2weu h GLU 181 Ca 0.39 -0.19 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 2weu h GLU 181 Cb 0.29 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 2weu h GLU 181 CO -0.22 0.73 0.08 -0.92 -1.00 0.00 0.00 179.01 177.68 2weu h TYR 182 N 0.51 0.13 -0.14 4.33 3.20 -0.67 -1.60 116.97 122.73 2weu h TYR 182 Ca 0.12 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 2weu h TYR 182 Cb 0.40 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 2weu h TYR 182 CO 0.03 0.02 -0.24 0.00 -1.64 0.00 0.00 178.16 176.33 2weu h ALA 183 N 1.28 0.22 -0.76 1.82 0.00 -0.43 -2.83 119.26 118.56 2weu h ALA 183 Ca 0.18 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2weu h ALA 183 Cb 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2weu h ALA 183 CO -0.23 0.20 0.26 0.82 0.00 0.00 0.00 179.25 180.30 2weu h ILE 184 N 0.03 1.26 -0.09 0.00 2.04 -1.09 -1.52 117.51 118.14 2weu h ILE 184 Ca 0.01 -0.88 0.03 0.00 1.00 0.00 0.00 64.86 65.02 2weu h ILE 184 Cb 0.82 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2weu h ILE 184 CO 0.06 0.35 0.09 0.00 0.00 0.00 0.00 178.15 178.64 2weu h ALA 185 N 1.14 1.79 -0.34 1.87 0.00 -1.23 -1.92 119.26 120.56 2weu h ALA 185 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2weu h ALA 185 Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2weu h ALA 185 CO -0.01 -0.13 0.00 0.54 0.00 0.00 0.00 179.25 179.64 2weu n ARG 186 N -4.03 2.36 0.00 0.00 1.74 -0.62 -4.94 116.66 111.17 2weu n ARG 186 Ca -0.01 -2.05 0.00 0.00 -0.77 0.00 0.00 57.85 55.02 2weu n ARG 186 Cb 0.19 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2weu n ARG 186 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2weu n GLY 187 N 1.43 1.10 3.72 -0.13 0.00 -0.72 -4.93 105.19 105.67 2weu n GLY 187 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2weu n GLY 187 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2weu s VAL 188 N -2.00 3.51 -0.25 1.61 1.01 -0.90 -4.75 120.40 118.63 2weu s VAL 188 Ca 0.00 1.14 -0.24 0.00 0.00 0.00 0.00 61.98 62.88 2weu s VAL 188 Cb 0.00 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 2weu s VAL 188 CO 0.00 0.12 0.82 -0.60 0.00 0.00 0.00 175.10 175.44 2weu s ARG 189 N 0.63 4.15 -0.23 2.72 3.52 -0.31 -4.48 118.95 124.96 2weu s ARG 189 Ca 0.60 0.89 -0.13 0.00 -0.13 0.00 0.00 55.73 56.96 2weu s ARG 189 Cb -0.34 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.35 2weu s ARG 189 CO 0.33 -0.54 0.28 -1.58 -0.81 0.00 0.00 175.30 172.98 2weu s HIS 190 N 2.86 3.33 -0.21 5.12 5.65 -1.26 -0.83 115.29 129.94 2weu s HIS 190 Ca 0.34 0.40 0.02 0.00 0.25 0.00 0.00 55.06 56.07 2weu s HIS 190 Cb -0.15 -2.42 0.04 0.00 -1.18 0.00 0.00 32.58 28.87 2weu s HIS 190 CO 0.08 -0.01 -0.14 0.08 -0.65 0.00 0.00 174.74 174.09 2weu s VAL 191 N 1.32 1.98 -0.42 0.89 1.01 0.02 -4.98 120.40 120.22 2weu s VAL 191 Ca 0.13 -1.19 -0.17 0.00 0.00 0.00 0.00 61.98 60.75 2weu s VAL 191 Cb -0.14 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.30 2weu s VAL 191 CO 0.07 0.25 0.39 -0.69 0.00 0.00 0.00 175.10 175.12 2weu s VAL 192 N 1.26 5.15 0.04 2.92 1.01 -1.26 -1.54 120.40 127.97 2weu s VAL 192 Ca -0.01 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 2weu s VAL 192 Cb -0.16 -4.01 0.10 0.00 0.00 0.00 0.00 36.38 32.31 2weu s VAL 192 CO -0.09 -0.40 1.13 -0.62 0.00 0.00 0.00 175.10 175.12 2weu s ASP 193 N 1.80 -0.13 -0.07 3.32 -1.08 -0.60 -4.89 116.67 115.03 2weu s ASP 193 Ca 0.10 -0.23 -0.07 0.00 -0.52 0.00 0.00 52.55 51.83 2weu s ASP 193 Cb -0.18 0.30 -0.04 0.00 -1.46 0.00 0.00 42.92 41.54 2weu s ASP 193 CO 0.12 -0.55 0.18 -1.81 0.52 0.00 0.00 175.17 173.63 2weu s ASP 194 N -2.89 6.43 -0.22 -0.34 1.01 -1.26 -3.35 116.67 116.05 2weu s ASP 194 Ca 0.13 0.49 -0.24 0.00 0.71 0.00 0.00 52.55 53.63 2weu s ASP 194 Cb 0.02 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.87 2weu s ASP 194 CO -0.02 0.36 0.82 -0.69 0.21 0.00 0.00 175.17 175.85 2weu s VAL 195 N -1.12 4.86 -0.11 -1.27 1.01 -1.26 -2.39 120.40 120.11 2weu s VAL 195 Ca 0.19 1.56 -0.06 0.00 0.00 0.00 0.00 61.98 63.67 2weu s VAL 195 Cb -0.13 -4.11 -0.26 0.00 0.00 0.00 0.00 36.38 31.88 2weu s VAL 195 CO 0.09 -0.03 0.40 1.56 0.00 0.00 0.00 175.10 177.12 2weu h GLN 196 N 7.57 0.27 -2.94 2.72 1.08 -0.46 -3.48 115.11 119.87 2weu h GLN 196 Ca -0.25 -0.46 -0.14 0.00 -1.45 0.00 0.00 58.65 56.35 2weu h GLN 196 Cb 1.11 0.17 -0.24 0.00 -0.05 0.00 0.00 27.48 28.47 2weu h GLN 196 CO 0.86 1.20 -0.31 -1.58 -0.95 0.00 0.00 178.83 178.05 2weu s HIS 197 N -2.56 -0.34 -0.33 2.96 2.46 -1.13 -5.02 115.29 111.32 2weu s HIS 197 Ca -0.21 0.79 -0.09 0.00 0.47 0.00 0.00 55.06 56.01 2weu s HIS 197 Cb 0.07 0.12 0.01 0.00 -0.13 0.00 0.00 32.58 32.65 2weu s HIS 197 CO 0.78 -0.22 0.15 0.08 -2.47 0.00 0.00 174.74 173.06 2weu s VAL 198 N -0.11 4.39 0.49 0.89 1.01 -1.26 0.18 120.40 125.99 2weu s VAL 198 Ca -0.03 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 2weu s VAL 198 Cb -0.03 -3.35 -0.08 0.00 0.00 0.00 0.00 36.38 32.92 2weu s VAL 198 CO 0.01 -0.07 1.03 -0.83 0.00 0.00 0.00 175.10 175.25 2weu s GLY 199 N 1.55 2.46 0.05 4.51 0.00 0.32 -4.98 107.32 111.23 2weu s GLY 199 Ca 0.03 0.56 0.04 0.00 0.00 0.00 0.00 44.72 45.35 2weu s GLY 199 CO 0.05 0.88 -0.12 1.20 0.00 0.00 0.00 173.10 175.11 2weu s GLN 200 N -3.32 0.79 0.39 2.90 -0.21 -1.26 -1.30 119.66 117.66 2weu s GLN 200 Ca 0.66 -0.79 -0.03 0.00 0.02 0.00 0.00 55.36 55.23 2weu s GLN 200 Cb -0.16 -0.76 0.08 0.00 1.00 0.00 0.00 33.01 33.18 2weu s GLN 200 CO 0.21 0.18 0.53 -0.40 -2.12 0.00 0.00 175.29 173.69 2weu n ASP 201 N 1.69 0.44 0.28 5.90 5.68 -0.09 -4.79 116.55 125.66 2weu n ASP 201 Ca -0.20 -1.44 0.16 0.00 -0.50 0.00 0.00 54.79 52.82 2weu n ASP 201 Cb 0.55 -0.37 0.80 0.00 -1.14 0.00 0.00 41.12 40.95 2weu n ASP 201 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2weu h GLU 202 N 0.00 0.00 -0.00 0.11 4.11 -2.02 -1.44 114.58 115.33 2weu h GLU 202 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2weu h GLU 202 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2weu h GLU 202 CO 0.16 0.07 -0.19 0.54 0.07 0.00 0.00 179.01 179.66 2weu n ARG 203 N -3.33 0.69 -0.70 1.06 1.74 -1.26 -4.92 116.66 109.93 2weu n ARG 203 Ca -0.01 -0.32 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 2weu n ARG 203 Cb 0.24 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2weu n ARG 203 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2weu n GLY 204 N 1.32 0.68 3.79 -0.13 0.00 -0.54 -5.05 105.19 105.26 2weu n GLY 204 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2weu n GLY 204 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2weu s TRP 205 N -2.20 3.75 0.09 1.61 0.52 -1.26 -4.78 118.94 116.68 2weu s TRP 205 Ca 0.00 1.67 -0.31 0.00 0.02 0.00 0.00 56.10 57.48 2weu s TRP 205 Cb 0.00 -2.82 -0.08 0.00 -1.15 0.00 0.00 33.47 29.41 2weu s TRP 205 CO 0.00 0.32 1.55 0.42 0.02 0.00 0.00 176.95 179.26 2weu s ILE 206 N -1.46 3.06 -0.11 2.03 1.01 -1.26 -0.91 121.20 123.55 2weu s ILE 206 Ca 0.45 0.63 0.13 0.00 0.00 0.00 0.00 60.65 61.87 2weu s ILE 206 Cb -0.20 -3.41 -0.24 0.00 0.01 0.00 0.00 42.46 38.63 2weu s ILE 206 CO 0.24 0.02 0.39 -1.54 0.00 0.00 0.00 174.94 174.06 2weu n SER 207 N 4.84 0.65 0.00 3.58 3.41 -0.42 -4.85 113.62 120.83 2weu n SER 207 Ca 0.14 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2weu n SER 207 Cb 0.41 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 2weu n SER 207 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2weu n GLY 208 N 1.67 0.67 3.41 5.00 0.00 -1.25 -4.07 105.19 110.63 2weu n GLY 208 Ca -0.25 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 2weu n GLY 208 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2weu s VAL 209 N -2.00 3.26 -0.30 1.61 -7.23 -0.37 -0.52 120.40 114.85 2weu s VAL 209 Ca 0.00 -0.59 -0.13 0.00 -1.81 0.00 0.00 61.98 59.45 2weu s VAL 209 Cb 0.00 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2weu s VAL 209 CO 0.00 0.52 0.28 -1.00 -0.31 0.00 0.00 175.10 174.59 2weu s HIS 210 N 0.25 3.23 0.24 2.82 3.76 0.13 -0.32 115.29 125.39 2weu s HIS 210 Ca -0.07 0.13 0.06 0.00 -0.15 0.00 0.00 55.06 55.03 2weu s HIS 210 Cb -0.15 -2.50 -0.03 0.00 1.11 0.00 0.00 32.58 31.01 2weu s HIS 210 CO 0.05 -0.26 0.22 0.95 -0.85 0.00 0.00 174.74 174.85 2weu s THR 211 N 1.89 4.62 0.25 1.30 -4.23 -0.63 0.32 115.64 119.15 2weu s THR 211 Ca 0.10 -1.28 -0.06 0.00 -1.18 0.00 0.00 61.69 59.27 2weu s THR 211 Cb -0.16 -3.48 0.24 0.00 1.34 0.00 0.00 72.50 70.43 2weu s THR 211 CO 0.11 -0.32 1.90 0.11 -0.54 0.00 0.00 174.62 175.88 2weu h LYS 212 N 1.54 1.27 0.00 3.99 1.57 -1.78 -3.34 116.57 119.81 2weu h LYS 212 Ca -0.49 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2weu h LYS 212 Cb 1.23 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2weu h LYS 212 CO 0.61 0.88 0.00 1.04 -0.57 0.00 0.00 179.45 181.41 2weu n GLN 213 N -4.36 1.86 -0.12 3.15 6.02 -1.26 -4.76 117.38 117.91 2weu n GLN 213 Ca 0.11 -0.07 0.04 0.00 -0.01 0.00 0.00 57.00 57.07 2weu n GLN 213 Cb 0.05 -0.36 0.10 0.00 1.02 0.00 0.00 30.24 31.05 2weu n GLN 213 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2weu n HIS 214 N -0.28 0.29 -4.78 1.08 8.25 -1.26 -5.11 115.22 113.41 2weu n HIS 214 Ca 0.00 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 2weu n HIS 214 Cb 0.05 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.09 2weu n HIS 214 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2weu n GLY 215 N -0.10 0.59 3.70 -1.41 0.00 -1.25 -4.71 105.19 102.01 2weu n GLY 215 Ca 0.08 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 2weu n GLY 215 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2weu s GLU 216 N 0.00 4.42 -0.40 1.61 2.12 -1.26 -1.60 118.70 123.58 2weu s GLU 216 Ca 0.00 1.02 -0.08 0.00 0.36 0.00 0.00 54.97 56.26 2weu s GLU 216 Cb 0.00 -3.49 0.07 0.00 0.26 0.00 0.00 34.13 30.98 2weu s GLU 216 CO 0.00 -0.07 0.23 0.42 -0.54 0.00 0.00 175.26 175.30 2weu s ILE 217 N 1.23 4.10 0.26 -3.70 1.01 0.57 -4.93 121.20 119.74 2weu s ILE 217 Ca 0.40 -1.40 0.05 0.00 0.00 0.00 0.00 60.65 59.70 2weu s ILE 217 Cb -0.18 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 2weu s ILE 217 CO 0.18 -0.46 0.39 -0.94 0.00 0.00 0.00 174.94 174.10 2weu s SER 218 N 1.98 6.28 0.17 3.58 1.04 -1.26 -1.24 113.70 124.25 2weu s SER 218 Ca 0.03 0.07 -0.23 0.00 0.48 0.00 0.00 55.95 56.30 2weu s SER 218 Cb -0.22 -1.80 0.08 0.00 0.10 0.00 0.00 66.02 64.17 2weu s SER 218 CO 0.02 -0.13 1.05 -0.83 0.98 0.00 0.00 173.24 174.33 2weu s GLY 219 N -4.01 0.08 -0.17 7.32 0.00 -1.26 -4.90 107.32 104.38 2weu s GLY 219 Ca 0.36 -0.29 -0.21 0.00 0.00 0.00 0.00 44.72 44.58 2weu s GLY 219 CO 0.30 2.42 0.39 -0.55 0.00 0.00 0.00 173.10 175.65 2weu h ASP 220 N 2.00 0.08 -3.75 1.64 3.32 -1.82 -3.46 116.42 114.43 2weu h ASP 220 Ca -0.27 -0.68 -0.68 0.00 0.02 0.00 0.00 57.03 55.42 2weu h ASP 220 Cb 1.22 -0.03 -0.27 0.00 0.22 0.00 0.00 39.33 40.47 2weu h ASP 220 CO 0.35 1.44 -0.80 -0.22 -1.72 0.00 0.00 179.24 178.29 2weu s LEU 221 N -7.85 2.56 -0.12 1.55 2.96 -0.81 -4.87 118.68 112.10 2weu s LEU 221 Ca -0.25 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 2weu s LEU 221 Cb 0.04 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.18 2weu s LEU 221 CO 0.65 0.25 -0.14 -0.36 -1.32 0.00 0.00 176.35 175.43 2weu s PHE 222 N -0.17 2.79 -0.22 5.38 0.08 -0.04 -0.79 117.98 124.99 2weu s PHE 222 Ca -0.01 -0.59 -0.05 0.00 0.12 0.00 0.00 56.93 56.40 2weu s PHE 222 Cb -0.13 -1.81 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 2weu s PHE 222 CO 0.03 -0.17 -0.01 0.08 -0.10 0.00 0.00 175.22 175.06 2weu s VAL 223 N 0.20 3.69 -0.56 -0.44 1.01 -0.04 -1.02 120.40 123.25 2weu s VAL 223 Ca -0.08 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 2weu s VAL 223 Cb -0.15 -2.69 0.05 0.00 0.00 0.00 0.00 36.38 33.59 2weu s VAL 223 CO 0.05 0.40 0.85 -0.62 0.00 0.00 0.00 175.10 175.78 2weu s ASP 224 N 1.42 6.27 -0.36 3.32 -1.08 0.05 -0.65 116.67 125.64 2weu s ASP 224 Ca 0.05 -0.67 0.06 0.00 -0.52 0.00 0.00 52.55 51.46 2weu s ASP 224 Cb -0.15 -2.39 0.46 0.00 -1.46 0.00 0.00 42.92 39.39 2weu s ASP 224 CO -0.01 -1.17 1.36 0.00 0.52 0.00 0.00 175.17 175.88 2weu n THR 226 N -0.79 0.34 -4.25 0.00 -2.24 -1.13 -4.25 114.28 101.98 2weu n THR 226 Ca 0.46 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2weu n THR 226 Cb 0.91 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 2weu n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2weu n GLY 227 N 1.21 -0.33 0.33 3.38 0.00 -1.26 -3.90 105.19 104.63 2weu n GLY 227 Ca 0.16 -1.06 0.16 0.00 0.00 0.00 0.00 46.02 45.29 2weu n GLY 227 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2weu h PHE 228 N 0.00 0.00 -0.74 1.61 0.04 -1.94 -1.36 116.94 114.56 2weu h PHE 228 Ca 0.00 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.93 2weu h PHE 228 Cb 0.00 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.02 2weu h PHE 228 CO 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.71 2weu h ARG 229 N 0.00 0.10 -5.88 1.51 3.08 -1.92 -3.47 114.38 107.80 2weu h ARG 229 Ca 0.09 -0.01 -0.38 0.00 0.07 0.00 0.00 59.98 59.75 2weu h ARG 229 Cb 0.44 -0.02 0.11 0.00 0.08 0.00 0.00 29.97 30.58 2weu h ARG 229 CO -0.00 0.07 -0.78 0.41 -1.07 0.00 0.00 179.97 178.59 2weu n GLY 230 N -1.41 -0.36 0.37 0.04 0.00 -0.53 -4.57 105.19 98.73 2weu n GLY 230 Ca 0.13 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.31 2weu n GLY 230 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2weu h LEU 231 N -1.98 1.03 0.00 0.99 5.85 -1.88 0.81 115.31 120.13 2weu h LEU 231 Ca -0.60 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.05 2weu h LEU 231 Cb 1.35 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 2weu h LEU 231 CO 0.54 0.65 -0.78 -0.07 -0.34 0.00 0.00 178.44 178.44 2weu h LEU 232 N 1.16 0.00 -0.72 2.25 3.38 -1.95 -2.27 115.31 117.17 2weu h LEU 232 Ca 0.43 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 2weu h LEU 232 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2weu h LEU 232 CO -0.18 1.02 -0.34 -0.29 0.09 0.00 0.00 178.44 178.74 2weu h ILE 233 N -1.00 1.29 0.00 1.22 6.09 -1.93 0.07 117.51 123.25 2weu h ILE 233 Ca -0.13 -1.47 -0.09 0.00 -1.37 0.00 0.00 64.86 61.80 2weu h ILE 233 Cb 0.79 1.45 -0.01 0.00 0.47 0.00 0.00 36.82 39.52 2weu h ILE 233 CO -0.08 0.47 -1.19 0.59 -3.07 0.00 0.00 178.15 174.87 2weu n ASN 234 N -4.06 1.81 -0.08 2.19 4.13 -0.21 -0.99 115.26 118.06 2weu n ASN 234 Ca -0.01 0.31 -0.08 0.00 1.68 0.00 0.00 54.58 56.47 2weu n ASN 234 Cb 0.48 -0.70 0.08 0.00 -1.54 0.00 0.00 39.78 38.10 2weu n ASN 234 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 2weu h GLN 235 N -0.88 0.76 0.00 3.52 4.20 -1.02 -1.21 115.11 120.49 2weu h GLN 235 Ca -0.13 -0.33 -0.27 0.00 0.06 0.00 0.00 58.65 57.98 2weu h GLN 235 Cb 1.02 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.73 2weu h GLN 235 CO -0.08 0.95 -1.49 2.41 -0.67 0.00 0.00 178.83 179.94 2weu n THR 236 N -4.09 1.54 1.19 -0.54 -1.04 -0.85 -4.51 114.28 105.97 2weu n THR 236 Ca -0.00 -0.09 0.13 0.00 -2.04 0.00 0.00 64.05 62.04 2weu n THR 236 Cb 0.46 -2.01 0.35 0.00 -1.82 0.00 0.00 70.33 67.31 2weu n THR 236 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2weu n LEU 237 N -4.39 0.88 -1.03 -4.42 4.77 -0.01 -4.95 117.00 107.85 2weu n LEU 237 Ca -0.36 -0.19 -0.10 0.00 -0.03 0.00 0.00 56.01 55.33 2weu n LEU 237 Cb 0.72 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 2weu n LEU 237 CO 0.16 0.17 -0.12 0.61 -1.33 0.00 0.00 177.39 176.89 2weu n GLY 238 N 1.38 0.27 3.77 -0.72 0.00 -0.46 -4.95 105.19 104.49 2weu n GLY 238 Ca 0.11 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 2weu n GLY 238 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2weu s GLY 239 N -2.64 2.93 -0.05 -0.02 0.00 -0.16 -4.96 107.32 102.42 2weu s GLY 239 Ca 0.00 1.50 -0.23 0.00 0.00 0.00 0.00 44.72 45.99 2weu s GLY 239 CO 0.00 2.15 0.69 0.50 0.00 0.00 0.00 173.10 176.44 2weu s ARG 240 N -2.26 4.43 -0.20 2.90 0.52 -1.26 -4.66 118.95 118.42 2weu s ARG 240 Ca 0.57 0.88 -0.08 0.00 -0.52 0.00 0.00 55.73 56.57 2weu s ARG 240 Cb -0.45 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.56 2weu s ARG 240 CO 0.59 0.13 0.08 0.12 0.02 0.00 0.00 175.30 176.24 2weu s PHE 241 N 0.56 3.23 -0.46 -0.53 5.36 -1.26 -0.79 117.98 124.09 2weu s PHE 241 Ca 0.37 0.02 -0.18 0.00 -0.96 0.00 0.00 56.93 56.17 2weu s PHE 241 Cb -0.18 -2.14 0.04 0.00 -0.34 0.00 0.00 43.02 40.40 2weu s PHE 241 CO 0.18 0.05 0.53 -1.14 -1.46 0.00 0.00 175.22 173.38 2weu s GLN 242 N 0.71 3.11 0.36 10.12 0.74 0.14 -4.95 119.66 129.90 2weu s GLN 242 Ca 0.04 -0.82 -0.26 0.00 0.05 0.00 0.00 55.36 54.37 2weu s GLN 242 Cb -0.13 -4.03 -0.09 0.00 1.10 0.00 0.00 33.01 29.86 2weu s GLN 242 CO 0.02 -1.03 1.05 0.45 -0.55 0.00 0.00 175.29 175.23 2weu s SER 243 N 2.24 6.95 -0.08 6.67 0.15 -1.26 -1.27 113.70 127.11 2weu s SER 243 Ca 0.14 2.08 0.20 0.00 0.70 0.00 0.00 55.95 59.06 2weu s SER 243 Cb -0.18 -2.60 0.69 0.00 -1.71 0.00 0.00 66.02 62.22 2weu s SER 243 CO 0.13 -0.35 1.60 0.49 1.20 0.00 0.00 173.24 176.30 2weu n PHE 244 N 0.34 1.31 0.20 3.44 3.72 -0.75 -4.68 117.46 121.04 2weu n PHE 244 Ca 0.03 -0.58 0.08 0.00 -0.05 0.00 0.00 57.45 56.93 2weu n PHE 244 Cb 0.48 -0.16 0.60 0.00 -0.94 0.00 0.00 39.48 39.46 2weu n PHE 244 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2weu h SER 245 N 4.11 0.09 -0.44 4.37 0.02 -1.78 0.26 113.55 120.17 2weu h SER 245 Ca 0.00 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2weu h SER 245 Cb 1.30 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 2weu h SER 245 CO 0.15 0.06 0.30 -2.24 -1.14 0.00 0.00 176.83 173.96 2weu h ASP 246 N 0.11 0.46 0.00 3.07 2.03 -1.98 -3.09 116.42 117.02 2weu h ASP 246 Ca 0.04 -0.01 -0.10 0.00 -0.73 0.00 0.00 57.03 56.22 2weu h ASP 246 Cb 0.02 -0.11 -0.02 0.00 -0.83 0.00 0.00 39.33 38.39 2weu h ASP 246 CO -0.01 0.33 -1.72 1.33 -1.03 0.00 0.00 179.24 178.14 2weu n VAL 247 N -4.47 0.38 -3.64 4.15 0.24 -0.68 -4.45 118.33 109.86 2weu n VAL 247 Ca 0.04 -0.40 -0.29 0.00 -2.04 0.00 0.00 64.34 61.65 2weu n VAL 247 Cb 0.11 -0.20 -0.12 0.00 -1.47 0.00 0.00 33.84 32.16 2weu n VAL 247 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2weu s LEU 248 N -4.37 2.51 0.00 1.34 1.43 0.82 -4.92 118.68 115.49 2weu s LEU 248 Ca -0.05 -2.84 0.24 0.00 -1.03 0.00 0.00 54.13 50.45 2weu s LEU 248 Cb 0.06 -0.92 1.04 0.00 0.03 0.00 0.00 46.19 46.41 2weu s LEU 248 CO 0.53 -0.23 1.77 -0.81 0.23 0.00 0.00 176.35 177.85 2weu n PRO 249 N 3.24 0.04 -1.67 1.29 -0.04 -1.17 -4.09 135.00 132.60 2weu n PRO 249 Ca 0.15 0.09 -0.45 0.00 -0.04 0.00 0.00 63.50 63.24 2weu n PRO 249 Cb 0.38 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 2weu n PRO 249 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2weu n ASN 250 N -1.48 3.80 0.00 3.54 3.02 -1.26 -4.58 115.26 118.30 2weu n ASN 250 Ca 0.06 0.94 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 2weu n ASN 250 Cb 0.27 -1.45 0.00 0.00 -0.61 0.00 0.00 39.78 37.99 2weu n ASN 250 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2weu n ASN 251 N 6.92 0.13 -4.14 6.41 6.94 -0.51 -4.90 115.26 126.12 2weu n ASN 251 Ca 0.21 -0.47 -0.09 0.00 -0.02 0.00 0.00 54.58 54.20 2weu n ASN 251 Cb 0.35 0.57 -0.10 0.00 -2.36 0.00 0.00 39.78 38.24 2weu n ASN 251 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2weu s ARG 252 N -0.57 0.88 0.02 -3.83 0.52 -0.87 -0.76 118.95 114.34 2weu s ARG 252 Ca 0.00 -1.41 -0.07 0.00 -0.52 0.00 0.00 55.73 53.73 2weu s ARG 252 Cb 0.00 0.24 -0.00 0.00 0.52 0.00 0.00 34.95 35.70 2weu s ARG 252 CO 0.00 -0.24 0.13 0.00 0.02 0.00 0.00 175.30 175.21 2weu s ALA 253 N -4.03 -0.21 -0.04 2.13 0.00 -0.48 -0.93 121.76 118.20 2weu s ALA 253 Ca 0.22 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.86 2weu s ALA 253 Cb 0.08 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.40 2weu s ALA 253 CO 0.00 -0.28 -0.09 0.54 0.00 0.00 0.00 175.76 175.93 2weu s VAL 254 N -2.10 0.85 0.13 0.00 0.11 -0.60 -0.84 120.40 117.95 2weu s VAL 254 Ca -0.09 -0.37 0.06 0.00 -2.93 0.00 0.00 61.98 58.66 2weu s VAL 254 Cb -0.04 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 2weu s VAL 254 CO -0.02 0.27 -0.15 0.00 -3.33 0.00 0.00 175.10 171.87 2weu s ALA 255 N 0.37 1.59 -0.00 1.54 0.00 0.31 -0.47 121.76 125.09 2weu s ALA 255 Ca -0.06 -1.33 -0.01 0.00 0.00 0.00 0.00 51.96 50.55 2weu s ALA 255 Cb -0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 2weu s ALA 255 CO 0.01 0.12 0.02 -0.51 0.00 0.00 0.00 175.76 175.40 2weu s LEU 256 N -2.51 1.94 -0.19 0.00 1.43 0.16 -0.79 118.68 118.72 2weu s LEU 256 Ca 0.10 -0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.01 2weu s LEU 256 Cb -0.05 0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.24 2weu s LEU 256 CO 0.04 -0.07 0.33 -0.13 0.23 0.00 0.00 176.35 176.74 2weu s ARG 257 N -0.29 4.20 -0.27 1.70 0.52 -1.26 -1.44 118.95 122.10 2weu s ARG 257 Ca -0.03 0.11 0.03 0.00 -0.52 0.00 0.00 55.73 55.31 2weu s ARG 257 Cb -0.02 -3.49 0.06 0.00 0.52 0.00 0.00 34.95 32.02 2weu s ARG 257 CO -0.00 0.09 -0.09 0.08 0.02 0.00 0.00 175.30 175.40 2weu s VAL 258 N 0.91 2.16 0.36 3.52 1.01 0.28 -4.91 120.40 123.73 2weu s VAL 258 Ca 0.17 -1.70 -0.27 0.00 0.00 0.00 0.00 61.98 60.17 2weu s VAL 258 Cb -0.14 -2.31 -0.12 0.00 0.00 0.00 0.00 36.38 33.82 2weu s VAL 258 CO 0.06 -0.10 1.24 -2.65 0.00 0.00 0.00 175.10 173.65 2weu n PRO 259 N 4.42 1.97 -3.27 2.72 -0.02 -1.26 -0.65 135.00 138.91 2weu n PRO 259 Ca -0.12 0.69 -0.39 0.00 -2.02 0.00 0.00 63.50 61.66 2weu n PRO 259 Cb 0.42 -2.28 -0.07 0.00 -0.02 0.00 0.00 33.50 31.55 2weu n PRO 259 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2weu s ARG 260 N -1.94 4.12 0.02 -0.52 3.52 -0.55 -4.80 118.95 118.80 2weu s ARG 260 Ca 0.57 0.32 -0.21 0.00 -0.13 0.00 0.00 55.73 56.28 2weu s ARG 260 Cb -0.56 -3.60 -0.17 0.00 -1.56 0.00 0.00 34.95 29.05 2weu s ARG 260 CO 0.61 -0.23 1.26 1.49 -0.81 0.00 0.00 175.30 177.61 2weu h GLU 261 N 7.74 0.32 -4.79 5.12 4.57 -1.92 -3.43 114.58 122.19 2weu h GLU 261 Ca -0.32 -0.21 -0.68 0.00 -1.18 0.00 0.00 59.36 56.97 2weu h GLU 261 Cb 1.15 0.03 -0.26 0.00 -0.16 0.00 0.00 28.75 29.50 2weu h GLU 261 CO 0.72 0.81 -0.62 -0.80 -1.18 0.00 0.00 179.01 177.94 2weu s ASN 262 N -6.22 5.16 0.40 1.04 0.02 -1.26 -4.99 114.94 109.10 2weu s ASN 262 Ca -0.14 -0.75 0.15 0.00 -1.02 0.00 0.00 52.86 51.11 2weu s ASN 262 Cb 0.04 -1.89 1.02 0.00 0.02 0.00 0.00 41.25 40.45 2weu s ASN 262 CO 0.76 -0.21 1.86 0.44 0.02 0.00 0.00 177.10 179.97 2weu h ASP 263 N 8.24 0.46 0.53 -1.22 3.32 -1.97 -1.33 116.42 124.44 2weu h ASP 263 Ca -0.31 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.79 2weu h ASP 263 Cb 1.12 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2weu h ASP 263 CO 0.60 0.20 0.00 -0.62 -1.72 0.00 0.00 179.24 177.70 2weu n GLU 264 N -4.53 0.19 0.03 3.56 4.71 -1.26 -1.97 120.64 121.38 2weu n GLU 264 Ca 0.19 0.10 0.12 0.00 -0.01 0.00 0.00 57.16 57.56 2weu n GLU 264 Cb 0.64 -1.50 0.49 0.00 -1.01 0.00 0.00 31.44 30.05 2weu n GLU 264 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2weu n ASP 265 N -1.37 0.23 -4.67 1.62 8.00 -0.50 -4.87 116.55 115.00 2weu n ASP 265 Ca 0.08 0.53 -0.42 0.00 0.71 0.00 0.00 54.79 55.69 2weu n ASP 265 Cb 0.20 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 40.68 2weu n ASP 265 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2weu n MET 266 N -1.73 2.86 -3.50 -1.24 1.56 -0.83 -4.98 117.12 109.26 2weu n MET 266 Ca 0.05 1.05 -0.38 0.00 -0.27 0.00 0.00 57.70 58.15 2weu n MET 266 Cb 0.30 -3.00 -0.06 0.00 2.15 0.00 0.00 33.22 32.62 2weu n MET 266 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2weu s ARG 267 N 4.20 3.93 -0.27 2.12 0.52 -1.26 -4.59 118.95 123.61 2weu s ARG 267 Ca 0.88 0.40 -0.03 0.00 -0.52 0.00 0.00 55.73 56.47 2weu s ARG 267 Cb -0.44 -3.23 0.06 0.00 0.52 0.00 0.00 34.95 31.85 2weu s ARG 267 CO 0.41 0.66 2.51 -0.35 0.02 0.00 0.00 175.30 178.56 2weu n PRO 268 N 1.92 1.91 -3.51 3.54 -0.04 -1.26 -4.74 135.00 132.82 2weu n PRO 268 Ca -0.14 -1.50 -0.09 0.00 -0.04 0.00 0.00 63.50 61.73 2weu n PRO 268 Cb 0.52 -1.76 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 2weu n PRO 268 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2weu s TYR 269 N -1.09 -0.37 0.25 0.54 -0.85 -1.23 0.02 117.35 114.61 2weu s TYR 269 Ca 0.41 0.30 -0.17 0.00 -0.52 0.00 0.00 57.07 57.10 2weu s TYR 269 Cb 0.27 0.52 -0.08 0.00 0.38 0.00 0.00 41.96 43.05 2weu s TYR 269 CO -0.07 -0.53 0.70 0.99 -1.52 0.00 0.00 175.55 175.12 2weu s THR 270 N -2.80 4.66 -0.07 -3.49 2.01 -0.88 -4.53 115.64 110.54 2weu s THR 270 Ca 0.03 1.08 0.02 0.00 0.31 0.00 0.00 61.69 63.14 2weu s THR 270 Cb -0.01 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 2weu s THR 270 CO -0.07 0.07 -0.13 -0.89 -0.69 0.00 0.00 174.62 172.91 2weu s THR 271 N -1.68 3.13 -0.29 -0.82 2.01 -0.57 -0.32 115.64 117.11 2weu s THR 271 Ca 0.46 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.81 2weu s THR 271 Cb -0.14 -2.25 0.07 0.00 0.01 0.00 0.00 72.50 70.19 2weu s THR 271 CO 0.20 0.57 -0.05 0.00 -0.69 0.00 0.00 174.62 174.65 2weu s ALA 272 N -0.46 2.68 -0.24 7.40 0.00 0.64 -1.19 121.76 130.59 2weu s ALA 272 Ca 0.06 -2.00 -0.05 0.00 0.00 0.00 0.00 51.96 49.97 2weu s ALA 272 Cb -0.12 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.26 2weu s ALA 272 CO 0.02 -1.35 0.02 0.99 0.00 0.00 0.00 175.76 175.43 2weu s THR 273 N 1.05 3.78 0.21 0.00 2.01 0.29 -1.46 115.64 121.53 2weu s THR 273 Ca -0.03 -0.43 -0.31 0.00 0.31 0.00 0.00 61.69 61.23 2weu s THR 273 Cb -0.20 -2.79 -0.10 0.00 0.01 0.00 0.00 72.50 69.42 2weu s THR 273 CO -0.06 0.33 1.52 0.00 -0.69 0.00 0.00 174.62 175.73 2weu s ALA 274 N 1.53 3.72 0.37 7.40 0.00 -0.52 0.46 121.76 134.71 2weu s ALA 274 Ca 0.05 1.38 0.01 0.00 0.00 0.00 0.00 51.96 53.40 2weu s ALA 274 Cb -0.15 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.38 2weu s ALA 274 CO 0.00 -0.79 0.10 -1.33 0.00 0.00 0.00 175.76 173.74 2weu n MET 275 N 3.16 1.06 0.00 0.00 2.81 0.12 -4.86 117.12 119.41 2weu n MET 275 Ca 0.11 -2.54 0.03 0.00 -1.81 0.00 0.00 57.70 53.49 2weu n MET 275 Cb 0.39 0.54 0.40 0.00 -0.71 0.00 0.00 33.22 33.84 2weu n MET 275 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2weu h SER 276 N 0.72 0.47 -0.35 7.83 4.64 -1.99 -3.29 113.55 121.58 2weu h SER 276 Ca -0.28 -0.03 -0.23 0.00 -0.47 0.00 0.00 61.79 60.79 2weu h SER 276 Cb 0.90 -0.12 -0.37 0.00 -0.31 0.00 0.00 62.40 62.50 2weu h SER 276 CO 0.45 0.39 -1.00 0.00 -0.87 0.00 0.00 176.83 175.80 2weu n ALA 277 N -2.48 2.62 0.00 5.18 0.00 -1.26 -4.53 120.51 120.05 2weu n ALA 277 Ca 0.03 -2.48 0.00 0.00 0.00 0.00 0.00 53.44 50.98 2weu n ALA 277 Cb 0.10 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2weu n ALA 277 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2weu n GLY 278 N -0.65 -0.05 3.26 0.00 0.00 -1.24 -3.04 105.19 103.48 2weu n GLY 278 Ca 0.03 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 2weu n GLY 278 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2weu s TRP 279 N -4.00 0.38 -0.10 1.61 1.48 -0.80 0.14 118.94 117.65 2weu s TRP 279 Ca 0.00 -0.78 0.03 0.00 -1.06 0.00 0.00 56.10 54.30 2weu s TRP 279 Cb 0.00 -0.12 -0.00 0.00 -1.16 0.00 0.00 33.47 32.18 2weu s TRP 279 CO 0.00 -0.63 -0.22 1.41 -4.06 0.00 0.00 176.95 173.45 2weu s MET 280 N -3.94 3.07 0.21 3.25 1.75 0.17 -0.62 119.30 123.19 2weu s MET 280 Ca 0.14 -0.85 -0.14 0.00 -1.25 0.00 0.00 55.69 53.59 2weu s MET 280 Cb 0.04 -2.35 -0.08 0.00 2.84 0.00 0.00 34.83 35.29 2weu s MET 280 CO -0.04 0.20 0.61 1.67 -0.65 0.00 0.00 175.02 176.81 2weu s TRP 281 N 0.30 3.53 -0.19 4.11 -2.14 0.85 -0.55 118.94 124.85 2weu s TRP 281 Ca -0.16 1.09 0.00 0.00 2.66 0.00 0.00 56.10 59.70 2weu s TRP 281 Cb -0.17 -2.41 0.05 0.00 -3.10 0.00 0.00 33.47 27.83 2weu s TRP 281 CO 0.08 0.32 -0.08 0.99 -2.66 0.00 0.00 176.95 175.61 2weu s THR 282 N -1.64 1.46 -0.36 0.66 2.01 -0.33 -1.90 115.64 115.54 2weu s THR 282 Ca 0.43 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 2weu s THR 282 Cb -0.14 -1.60 0.07 0.00 0.01 0.00 0.00 72.50 70.85 2weu s THR 282 CO 0.20 0.11 0.12 -0.63 -0.69 0.00 0.00 174.62 173.73 2weu s ILE 283 N 1.47 3.44 -0.20 1.82 1.01 0.10 -1.51 121.20 127.34 2weu s ILE 283 Ca -0.01 -1.53 -0.29 0.00 0.00 0.00 0.00 60.65 58.81 2weu s ILE 283 Cb -0.16 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 2weu s ILE 283 CO -0.08 -0.36 1.22 -2.84 0.00 0.00 0.00 174.94 172.89 2weu s PRO 284 N 1.28 4.18 0.57 2.79 0.02 -1.26 -0.69 135.00 141.89 2weu s PRO 284 Ca 0.01 1.52 0.07 0.00 0.02 0.00 0.00 61.00 62.63 2weu s PRO 284 Cb -0.21 -3.76 0.07 0.00 0.02 0.00 0.00 34.50 30.62 2weu s PRO 284 CO -0.01 -0.76 0.60 -0.51 -0.33 0.00 0.00 177.00 175.99 2weu s LEU 285 N 3.59 2.84 0.30 -5.54 1.43 0.65 -4.36 118.68 117.59 2weu s LEU 285 Ca 0.53 -1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 52.53 2weu s LEU 285 Cb -0.19 -1.33 0.45 0.00 0.03 0.00 0.00 46.19 45.14 2weu s LEU 285 CO 0.14 -1.27 1.91 0.15 0.23 0.00 0.00 176.35 177.51 2weu h PHE 286 N 0.44 0.92 0.00 0.29 3.04 -1.32 -3.22 116.94 117.08 2weu h PHE 286 Ca -0.33 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.59 2weu h PHE 286 Cb 1.30 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.52 2weu h PHE 286 CO 0.74 0.66 -0.02 1.63 -2.02 0.00 0.00 178.31 179.30 2weu n LYS 287 N -4.35 1.90 -3.45 1.11 4.76 -1.26 -5.04 118.16 111.83 2weu n LYS 287 Ca 0.06 -1.29 -0.11 0.00 -2.87 0.00 0.00 58.31 54.10 2weu n LYS 287 Cb 0.12 -0.88 -0.02 0.00 -1.84 0.00 0.00 35.03 32.41 2weu n LYS 287 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2weu s ARG 288 N -0.84 1.13 -0.09 1.97 1.70 -1.22 -1.49 118.95 120.11 2weu s ARG 288 Ca 0.03 -0.36 -0.04 0.00 -0.47 0.00 0.00 55.73 54.89 2weu s ARG 288 Cb 0.02 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.89 2weu s ARG 288 CO 0.00 -0.48 0.07 -0.51 -1.08 0.00 0.00 175.30 173.30 2weu s ASP 289 N -2.53 5.77 -0.13 -2.89 1.01 0.18 -0.25 116.67 117.82 2weu s ASP 289 Ca 0.01 0.28 -0.18 0.00 0.71 0.00 0.00 52.55 53.37 2weu s ASP 289 Cb -0.01 -1.74 -0.04 0.00 1.01 0.00 0.00 42.92 42.14 2weu s ASP 289 CO -0.10 0.38 0.48 -0.83 0.21 0.00 0.00 175.17 175.32 2weu s GLY 290 N -1.02 2.33 -0.05 0.21 0.00 0.13 -0.56 107.32 108.37 2weu s GLY 290 Ca 0.15 -0.23 0.05 0.00 0.00 0.00 0.00 44.72 44.68 2weu s GLY 290 CO 0.04 0.83 -0.19 -1.31 0.00 0.00 0.00 173.10 172.47 2weu s ASN 291 N 0.73 2.36 -0.08 1.64 0.01 -0.52 0.01 114.94 119.08 2weu s ASN 291 Ca 0.26 -0.39 -0.06 0.00 -0.71 0.00 0.00 52.86 51.96 2weu s ASN 291 Cb -0.15 -0.66 0.03 0.00 0.41 0.00 0.00 41.25 40.87 2weu s ASN 291 CO 0.10 0.17 0.21 -0.83 -1.51 0.00 0.00 177.10 175.24 2weu s GLY 292 N 0.01 -0.14 -0.36 0.66 0.00 -0.80 -0.67 107.32 106.03 2weu s GLY 292 Ca -0.04 0.69 -0.13 0.00 0.00 0.00 0.00 44.72 45.24 2weu s GLY 292 CO 0.03 0.74 0.25 -0.47 0.00 0.00 0.00 173.10 173.65 2weu s TYR 293 N 0.52 3.23 -0.18 1.90 5.04 0.38 -0.11 117.35 128.13 2weu s TYR 293 Ca -0.03 -0.33 -0.18 0.00 -2.44 0.00 0.00 57.07 54.09 2weu s TYR 293 Cb -0.05 -2.50 -0.04 0.00 0.35 0.00 0.00 41.96 39.72 2weu s TYR 293 CO -0.03 -0.43 0.48 0.08 -1.34 0.00 0.00 175.55 174.32 2weu s VAL 294 N 1.71 5.15 0.22 3.14 1.01 0.21 -1.55 120.40 130.28 2weu s VAL 294 Ca 0.06 0.89 -0.09 0.00 0.00 0.00 0.00 61.98 62.84 2weu s VAL 294 Cb -0.18 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2weu s VAL 294 CO 0.10 0.22 0.34 -0.72 0.00 0.00 0.00 175.10 175.04 2weu s TYR 295 N 1.36 0.61 -0.22 5.22 -0.85 -0.11 -1.90 117.35 121.47 2weu s TYR 295 Ca 0.23 -0.93 -0.08 0.00 -0.52 0.00 0.00 57.07 55.77 2weu s TYR 295 Cb -0.15 -0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.07 2weu s TYR 295 CO 0.09 -0.84 0.08 0.45 -1.52 0.00 0.00 175.55 173.82 2weu s SER 296 N -3.05 5.53 0.00 -0.18 0.15 -1.17 -1.42 113.70 113.56 2weu s SER 296 Ca 0.26 -0.02 0.20 0.00 0.70 0.00 0.00 55.95 57.09 2weu s SER 296 Cb 0.02 -1.97 0.89 0.00 -1.71 0.00 0.00 66.02 63.25 2weu s SER 296 CO 0.08 0.08 1.63 -0.90 1.20 0.00 0.00 173.24 175.33 2weu n ASP 297 N 4.16 0.00 0.25 5.45 5.68 -1.26 -1.46 116.55 129.37 2weu n ASP 297 Ca -0.16 0.34 0.12 0.00 -0.50 0.00 0.00 54.79 54.58 2weu n ASP 297 Cb 0.52 -0.43 0.62 0.00 -1.14 0.00 0.00 41.12 40.69 2weu n ASP 297 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2weu h GLU 298 N 0.00 0.00 0.00 0.11 5.08 -1.94 -3.35 114.58 114.48 2weu h GLU 298 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2weu h GLU 298 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2weu h GLU 298 CO 0.00 0.16 -1.34 1.19 -1.00 0.00 0.00 179.01 178.03 2weu n PHE 299 N -3.54 0.00 -3.70 4.33 3.72 -0.53 -5.02 117.46 112.72 2weu n PHE 299 Ca -0.01 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.25 2weu n PHE 299 Cb 0.31 -0.18 -0.09 0.00 -0.94 0.00 0.00 39.48 38.59 2weu n PHE 299 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 2weu s ILE 300 N -2.53 0.02 0.57 4.37 2.07 -1.04 -4.98 121.20 119.68 2weu s ILE 300 Ca -0.03 -0.15 -0.10 0.00 -1.41 0.00 0.00 60.65 58.96 2weu s ILE 300 Cb 0.05 -0.68 -0.04 0.00 0.13 0.00 0.00 42.46 41.92 2weu s ILE 300 CO 0.33 -0.08 0.96 -0.94 -1.91 0.00 0.00 174.94 173.30 2weu s SER 301 N -0.46 6.27 0.38 4.50 1.04 -1.26 -4.08 113.70 120.09 2weu s SER 301 Ca -0.06 1.31 0.05 0.00 0.48 0.00 0.00 55.95 57.73 2weu s SER 301 Cb -0.03 -2.42 0.76 0.00 0.10 0.00 0.00 66.02 64.43 2weu s SER 301 CO 0.03 -0.77 2.03 -0.65 0.98 0.00 0.00 173.24 174.86 2weu h PRO 302 N -0.06 0.68 -0.39 4.02 0.11 -1.97 0.21 132.00 134.59 2weu h PRO 302 Ca -0.45 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2weu h PRO 302 Cb 1.19 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2weu h PRO 302 CO 0.62 0.45 0.04 0.93 -0.21 0.00 0.00 178.00 179.83 2weu h GLU 303 N 0.70 0.67 -0.50 1.05 3.07 -2.00 -1.28 114.58 116.29 2weu h GLU 303 Ca 0.20 -0.19 -0.10 0.00 -0.50 0.00 0.00 59.36 58.77 2weu h GLU 303 Cb -0.04 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 2weu h GLU 303 CO -0.05 0.73 -0.07 0.93 -1.40 0.00 0.00 179.01 179.15 2weu h GLU 304 N 0.51 0.90 -0.20 2.33 5.08 -1.81 -2.31 114.58 119.07 2weu h GLU 304 Ca 0.12 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2weu h GLU 304 Cb 0.41 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2weu h GLU 304 CO 0.01 0.94 0.09 0.00 -1.00 0.00 0.00 179.01 179.05 2weu h ALA 305 N 1.10 0.26 -0.78 3.43 0.00 -0.43 -1.40 119.26 121.44 2weu h ALA 305 Ca 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2weu h ALA 305 Cb 0.59 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2weu h ALA 305 CO 0.04 -0.16 0.51 1.49 0.00 0.00 0.00 179.25 181.13 2weu h GLU 306 N 0.18 1.01 -0.70 0.00 4.81 -1.18 -0.90 114.58 117.81 2weu h GLU 306 Ca 0.07 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2weu h GLU 306 Cb 0.15 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 2weu h GLU 306 CO -0.01 0.67 0.46 0.00 -0.73 0.00 0.00 179.01 179.40 2weu h ARG 307 N 1.04 0.90 -0.36 1.92 3.08 -1.17 -0.73 114.38 119.06 2weu h ARG 307 Ca 0.29 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.21 2weu h ARG 307 Cb -0.10 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.73 2weu h ARG 307 CO -0.07 0.60 -0.07 1.49 -1.07 0.00 0.00 179.97 180.84 2weu h GLU 308 N 0.93 0.68 0.09 0.04 4.81 -0.84 -1.25 114.58 119.04 2weu h GLU 308 Ca 0.26 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2weu h GLU 308 Cb -0.09 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2weu h GLU 308 CO -0.06 0.83 -0.11 1.25 -0.73 0.00 0.00 179.01 180.19 2weu h LEU 309 N 0.48 -0.29 -0.51 1.64 5.85 -1.02 -2.23 115.31 119.23 2weu h LEU 309 Ca 0.09 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2weu h LEU 309 Cb 0.58 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 2weu h LEU 309 CO 0.03 -0.17 0.33 0.03 -0.34 0.00 0.00 178.44 178.32 2weu h ARG 310 N -0.23 0.64 -0.05 1.25 3.08 -1.02 -1.19 114.38 116.87 2weu h ARG 310 Ca 0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2weu h ARG 310 Cb 0.23 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 2weu h ARG 310 CO -0.04 0.43 0.03 0.77 -1.07 0.00 0.00 179.97 180.08 2weu h SER 311 N 0.66 0.05 0.21 7.04 0.02 -1.19 0.52 113.55 120.87 2weu h SER 311 Ca 0.19 -0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.84 2weu h SER 311 Cb -0.04 -0.01 0.03 0.00 0.14 0.00 0.00 62.40 62.51 2weu h SER 311 CO -0.06 0.04 -1.35 0.74 -1.14 0.00 0.00 176.83 175.07 2weu h THR 312 N 0.06 1.28 0.00 -2.27 2.02 -0.65 -3.41 112.91 109.94 2weu h THR 312 Ca 0.02 -2.62 0.00 0.00 0.77 0.00 0.00 66.41 64.58 2weu h THR 312 Cb 0.00 3.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 2weu h THR 312 CO -0.00 0.79 -0.90 1.33 0.37 0.00 0.00 175.52 177.10 2weu n VAL 313 N -3.82 0.00 -2.72 3.16 0.24 -0.55 -4.91 118.33 109.73 2weu n VAL 313 Ca -0.18 -0.13 -0.08 0.00 -2.04 0.00 0.00 64.34 61.91 2weu n VAL 313 Cb 1.02 0.56 0.10 0.00 -1.47 0.00 0.00 33.84 34.05 2weu n VAL 313 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2weu n ALA 314 N -1.47 -0.44 -1.77 2.33 0.00 -0.03 -5.06 120.51 114.06 2weu n ALA 314 Ca -0.00 -1.40 -0.40 0.00 0.00 0.00 0.00 53.44 51.63 2weu n ALA 314 Cb 0.05 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.35 2weu n ALA 314 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2weu s PRO 315 N 0.25 3.91 -1.46 0.00 0.04 -0.04 -2.67 135.00 135.03 2weu s PRO 315 Ca 0.22 2.42 -0.00 0.00 0.04 0.00 0.00 61.00 63.68 2weu s PRO 315 Cb 0.31 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2weu s PRO 315 CO -0.06 -0.64 0.06 0.41 0.04 0.00 0.00 177.00 176.81 2weu n GLY 316 N 0.56 -0.34 2.90 0.56 0.00 -1.26 -4.94 105.19 102.67 2weu n GLY 316 Ca 0.03 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 2weu n GLY 316 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2weu n ARG 317 N -2.75 3.28 0.00 1.61 5.12 -1.09 -4.83 116.66 118.00 2weu n ARG 317 Ca -0.19 -4.85 0.09 0.00 -1.93 0.00 0.00 57.85 50.96 2weu n ARG 317 Cb 0.65 -2.25 0.39 0.00 -1.16 0.00 0.00 32.46 30.09 2weu n ARG 317 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2weu n ASP 318 N -0.18 0.00 0.32 0.55 8.00 -1.26 -1.09 116.55 122.89 2weu n ASP 318 Ca 0.31 0.48 0.21 0.00 0.71 0.00 0.00 54.79 56.51 2weu n ASP 318 Cb 0.39 -0.49 1.08 0.00 -0.02 0.00 0.00 41.12 42.08 2weu n ASP 318 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2weu h ASP 319 N 0.00 0.00 -3.45 -2.24 2.03 -1.99 -3.42 116.42 107.34 2weu h ASP 319 Ca 0.00 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.70 2weu h ASP 319 Cb 0.31 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 38.69 2weu h ASP 319 CO 0.00 0.01 -0.24 -0.76 -1.03 0.00 0.00 179.24 177.21 2weu s LEU 320 N -6.29 4.17 -0.00 0.15 1.43 -0.25 -5.06 118.68 112.83 2weu s LEU 320 Ca -0.04 0.49 -0.26 0.00 -1.03 0.00 0.00 54.13 53.30 2weu s LEU 320 Cb 0.12 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 2weu s LEU 320 CO 0.45 -0.03 0.79 -0.70 0.23 0.00 0.00 176.35 177.09 2weu s GLU 321 N 1.11 4.49 0.13 1.70 2.12 -1.26 -5.03 118.70 121.96 2weu s GLU 321 Ca 0.18 1.08 -0.23 0.00 0.36 0.00 0.00 54.97 56.36 2weu s GLU 321 Cb -0.14 -3.41 -0.07 0.00 0.26 0.00 0.00 34.13 30.76 2weu s GLU 321 CO 0.07 0.14 0.70 0.00 -0.54 0.00 0.00 175.26 175.63 2weu s ALA 322 N 0.46 3.50 -0.14 6.30 0.00 -1.26 -4.54 121.76 126.07 2weu s ALA 322 Ca 0.41 0.24 -0.00 0.00 0.00 0.00 0.00 51.96 52.61 2weu s ALA 322 Cb -0.20 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 2weu s ALA 322 CO 0.22 0.32 -0.13 1.21 0.00 0.00 0.00 175.76 177.39 2weu s ASN 323 N -1.07 3.99 -0.12 0.00 3.84 0.03 -4.94 114.94 116.68 2weu s ASN 323 Ca 0.33 -0.35 -0.04 0.00 0.21 0.00 0.00 52.86 53.01 2weu s ASN 323 Cb -0.22 -1.62 -0.04 0.00 -0.55 0.00 0.00 41.25 38.83 2weu s ASN 323 CO 0.23 0.14 0.04 -1.00 -2.79 0.00 0.00 177.10 173.73 2weu s HIS 324 N 0.52 3.27 -0.01 0.43 3.76 -1.26 -0.53 115.29 121.48 2weu s HIS 324 Ca -0.08 0.22 0.02 0.00 -0.15 0.00 0.00 55.06 55.06 2weu s HIS 324 Cb -0.16 -1.90 -0.00 0.00 1.11 0.00 0.00 32.58 31.63 2weu s HIS 324 CO 0.04 0.43 -0.06 0.42 -0.85 0.00 0.00 174.74 174.72 2weu s ILE 325 N -0.56 0.46 -0.14 0.60 -1.09 -0.02 -5.01 121.20 115.43 2weu s ILE 325 Ca 0.10 -0.23 -0.10 0.00 -2.23 0.00 0.00 60.65 58.20 2weu s ILE 325 Cb -0.12 -0.40 -0.05 0.00 -1.58 0.00 0.00 42.46 40.32 2weu s ILE 325 CO 0.02 0.14 0.18 -1.10 -1.23 0.00 0.00 174.94 172.95 2weu s GLN 326 N -0.02 3.85 -0.05 2.79 -0.21 -1.26 -1.38 119.66 123.38 2weu s GLN 326 Ca 0.01 -0.08 0.00 0.00 0.02 0.00 0.00 55.36 55.31 2weu s GLN 326 Cb -0.04 -3.30 -0.03 0.00 1.00 0.00 0.00 33.01 30.64 2weu s GLN 326 CO -0.00 0.53 -0.01 -1.64 -2.12 0.00 0.00 175.29 172.05 2weu s MET 327 N -0.36 2.85 -0.52 2.91 -1.94 0.06 -4.98 119.30 117.32 2weu s MET 327 Ca 0.14 -0.52 -0.16 0.00 -1.71 0.00 0.00 55.69 53.43 2weu s MET 327 Cb -0.12 -2.70 0.11 0.00 2.01 0.00 0.00 34.83 34.13 2weu s MET 327 CO 0.03 0.66 0.47 0.50 -0.01 0.00 0.00 175.02 176.67 2weu s ARG 328 N -1.16 2.99 -0.23 2.03 3.52 -1.26 -4.82 118.95 120.01 2weu s ARG 328 Ca 0.16 -1.57 -0.14 0.00 -0.13 0.00 0.00 55.73 54.05 2weu s ARG 328 Cb -0.11 -4.24 -0.04 0.00 -1.56 0.00 0.00 34.95 29.00 2weu s ARG 328 CO 0.06 -1.23 0.33 0.42 -0.81 0.00 0.00 175.30 174.07 2weu s ILE 329 N 1.64 5.23 -5.00 4.11 -1.09 -1.26 -4.35 121.20 120.48 2weu s ILE 329 Ca 0.04 0.54 0.00 0.00 -2.23 0.00 0.00 60.65 59.00 2weu s ILE 329 Cb -0.28 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 2weu s ILE 329 CO 0.04 0.25 0.00 0.61 -1.23 0.00 0.00 174.94 174.61 2weu n GLY 330 N 4.24 0.68 3.16 6.18 0.00 -0.23 -1.81 105.19 117.41 2weu n GLY 330 Ca -0.10 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 2weu n GLY 330 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2weu s ARG 331 N -2.00 0.66 0.39 1.61 1.70 -0.40 -1.18 118.95 119.74 2weu s ARG 331 Ca 0.00 -0.69 -0.27 0.00 -0.47 0.00 0.00 55.73 54.30 2weu s ARG 331 Cb 0.00 0.27 -0.09 0.00 -0.57 0.00 0.00 34.95 34.56 2weu s ARG 331 CO 0.00 -0.18 1.31 -0.80 -1.08 0.00 0.00 175.30 174.55 2weu s ASN 332 N -2.13 6.41 0.19 -2.89 0.01 -0.02 0.25 114.94 116.76 2weu s ASN 332 Ca -0.05 2.68 -0.12 0.00 -0.71 0.00 0.00 52.86 54.67 2weu s ASN 332 Cb -0.01 -2.64 0.12 0.00 0.41 0.00 0.00 41.25 39.13 2weu s ASN 332 CO -0.04 -0.79 1.85 -0.08 -1.51 0.00 0.00 177.10 176.53 2weu h GLU 333 N 2.84 0.88 -4.63 -0.60 4.57 -1.31 -3.40 114.58 112.92 2weu h GLU 333 Ca -0.50 -0.06 -0.55 0.00 -1.18 0.00 0.00 59.36 57.07 2weu h GLU 333 Cb 1.24 -0.19 -0.34 0.00 -0.16 0.00 0.00 28.75 29.30 2weu h GLU 333 CO 0.63 0.60 -0.83 1.03 -1.18 0.00 0.00 179.01 179.27 2weu s ARG 334 N -6.07 1.96 0.07 1.92 0.52 -1.26 -4.91 118.95 111.17 2weu s ARG 334 Ca -0.13 -0.48 0.25 0.00 -0.52 0.00 0.00 55.73 54.85 2weu s ARG 334 Cb 0.14 -1.67 0.46 0.00 0.52 0.00 0.00 34.95 34.40 2weu s ARG 334 CO 0.77 -0.03 1.39 0.25 0.02 0.00 0.00 175.30 177.70 2weu n THR 335 N 4.07 0.20 -4.02 0.02 -2.24 -1.26 -4.70 114.28 106.34 2weu n THR 335 Ca -0.20 -0.15 -0.31 0.00 -2.27 0.00 0.00 64.05 61.12 2weu n THR 335 Cb 0.51 -0.01 -0.16 0.00 -2.10 0.00 0.00 70.33 68.58 2weu n THR 335 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2weu s TRP 336 N -3.09 2.54 -0.05 4.78 -0.11 -1.26 -0.42 118.94 121.32 2weu s TRP 336 Ca 0.08 -1.65 0.03 0.00 1.22 0.00 0.00 56.10 55.79 2weu s TRP 336 Cb 0.15 -1.71 0.00 0.00 -1.50 0.00 0.00 33.47 30.42 2weu s TRP 336 CO 0.70 -0.76 -0.14 0.42 -4.62 0.00 0.00 176.95 172.55 2weu s ILE 337 N 1.36 1.24 0.00 5.86 1.01 -0.21 -4.96 121.20 125.49 2weu s ILE 337 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.05 2weu s ILE 337 Cb -0.16 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.23 2weu s ILE 337 CO -0.09 0.37 0.00 0.59 0.00 0.00 0.00 174.94 175.81 2weu n ASN 338 N 3.36 0.00 -2.01 3.58 3.02 -1.26 -0.68 115.26 121.27 2weu n ASN 338 Ca -0.19 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.17 2weu n ASN 338 Cb 0.53 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.90 2weu n ASN 338 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2weu n ASN 339 N 3.84 3.64 -4.01 6.41 6.94 -1.26 -4.92 115.26 125.91 2weu n ASN 339 Ca 0.00 -3.60 -0.26 0.00 -0.02 0.00 0.00 54.58 50.70 2weu n ASN 339 Cb 0.00 -0.79 -0.17 0.00 -2.36 0.00 0.00 39.78 36.46 2weu n ASN 339 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2weu s VAL 341 N 0.92 1.87 0.03 0.00 1.01 -0.19 -1.05 120.40 122.99 2weu s VAL 341 Ca -0.09 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 60.80 2weu s VAL 341 Cb -0.15 -1.65 -0.06 0.00 0.00 0.00 0.00 36.38 34.52 2weu s VAL 341 CO 0.01 0.51 0.59 0.00 0.00 0.00 0.00 175.10 176.21 2weu s ALA 342 N 0.70 3.53 -0.05 5.51 0.00 0.43 -0.78 121.76 131.11 2weu s ALA 342 Ca -0.11 0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.91 2weu s ALA 342 Cb -0.16 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 20.27 2weu s ALA 342 CO 0.02 0.27 -0.07 0.08 0.00 0.00 0.00 175.76 176.06 2weu s VAL 343 N -0.60 0.72 0.00 0.00 1.01 -0.50 -4.63 120.40 116.39 2weu s VAL 343 Ca 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2weu s VAL 343 Cb -0.19 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.48 2weu s VAL 343 CO 0.18 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2weu n GLY 344 N 3.97 0.24 0.28 4.51 0.00 -1.26 -4.38 105.19 108.55 2weu n GLY 344 Ca -0.24 -1.42 0.11 0.00 0.00 0.00 0.00 46.02 44.47 2weu n GLY 344 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2weu h LEU 345 N 0.00 0.00 -1.75 0.99 4.07 -1.88 -0.24 115.31 116.50 2weu h LEU 345 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 2weu h LEU 345 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2weu h LEU 345 CO 0.00 0.00 -0.07 0.77 -1.08 0.00 0.00 178.44 178.06 2weu h SER 346 N 0.00 0.06 0.04 -0.43 4.64 -1.73 -3.22 113.55 112.92 2weu h SER 346 Ca 0.02 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.13 2weu h SER 346 Cb 0.10 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2weu h SER 346 CO -0.00 0.15 -1.08 0.00 -0.87 0.00 0.00 176.83 175.02 2weu h ALA 347 N 1.86 0.19 -1.64 5.18 0.00 -1.32 -3.45 119.26 120.08 2weu h ALA 347 Ca 0.02 -1.04 0.16 0.00 0.00 0.00 0.00 54.91 54.05 2weu h ALA 347 Cb 0.17 0.52 -0.21 0.00 0.00 0.00 0.00 17.79 18.27 2weu h ALA 347 CO 0.01 0.62 0.67 0.00 0.00 0.00 0.00 179.25 180.55 2weu s ALA 348 N -2.38 -1.97 -0.26 0.00 0.00 -0.82 -0.84 121.76 115.49 2weu s ALA 348 Ca -0.24 1.50 -0.21 0.00 0.00 0.00 0.00 51.96 53.01 2weu s ALA 348 Cb 0.04 -0.38 0.07 0.00 0.00 0.00 0.00 23.12 22.85 2weu s ALA 348 CO 0.67 -0.47 0.68 0.12 0.00 0.00 0.00 175.76 176.75 2weu s PHE 349 N -1.96 -0.85 0.18 0.00 5.36 -0.32 -4.06 117.98 116.33 2weu s PHE 349 Ca 0.05 1.92 0.09 0.00 -0.96 0.00 0.00 56.93 58.02 2weu s PHE 349 Cb -0.01 0.38 -0.04 0.00 -0.34 0.00 0.00 43.02 43.01 2weu s PHE 349 CO -0.04 -0.42 -0.18 0.14 -1.46 0.00 0.00 175.22 173.27 2weu s VAL 350 N 0.83 1.84 0.46 3.12 -7.23 -1.26 -1.06 120.40 117.09 2weu s VAL 350 Ca -0.04 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.91 2weu s VAL 350 Cb -0.05 -1.91 -0.10 0.00 0.56 0.00 0.00 36.38 34.88 2weu s VAL 350 CO -0.07 -0.38 0.85 -1.84 -0.31 0.00 0.00 175.10 173.36 2weu n GLU 351 N 0.11 1.03 -0.43 4.82 0.28 -1.26 -4.81 120.64 120.37 2weu n GLU 351 Ca -0.12 0.37 0.00 0.00 -0.16 0.00 0.00 57.16 57.26 2weu n GLU 351 Cb 0.58 -1.90 0.00 0.00 1.43 0.00 0.00 31.44 31.55 2weu n GLU 351 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2weu n PRO 352 N 0.07 1.00 0.24 3.44 -0.04 -1.26 -4.38 135.00 134.07 2weu n PRO 352 Ca 0.11 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 2weu n PRO 352 Cb 0.41 -1.00 0.61 0.00 -0.04 0.00 0.00 33.50 33.48 2weu n PRO 352 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2weu h LEU 353 N 2.73 0.00 -2.93 1.53 5.85 -2.03 -2.75 115.31 117.71 2weu h LEU 353 Ca 0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2weu h LEU 353 Cb 1.00 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.91 2weu h LEU 353 CO 0.00 0.18 -0.61 -0.62 -0.34 0.00 0.00 178.44 177.04 2weu n GLU 354 N -3.56 0.95 -3.61 1.25 -0.58 -1.26 -5.02 120.64 108.81 2weu n GLU 354 Ca -0.01 -2.66 -0.20 0.00 -0.42 0.00 0.00 57.16 53.87 2weu n GLU 354 Cb 0.32 -1.02 0.05 0.00 -0.57 0.00 0.00 31.44 30.22 2weu n GLU 354 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2weu n SER 355 N -0.57 -1.61 -0.28 1.62 7.64 -1.04 -4.91 113.62 114.46 2weu n SER 355 Ca 0.13 -0.74 0.12 0.00 1.01 0.00 0.00 58.87 59.38 2weu n SER 355 Cb 0.83 -4.44 0.12 0.00 -1.01 0.00 0.00 64.21 59.70 2weu n SER 355 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2weu n THR 356 N -4.24 0.00 -0.00 0.44 -2.24 -1.26 -4.35 114.28 102.62 2weu n THR 356 Ca -0.29 -0.15 -0.12 0.00 -2.27 0.00 0.00 64.05 61.23 2weu n THR 356 Cb 0.67 0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 69.68 2weu n THR 356 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2weu h GLY 357 N 4.91 0.09 1.05 3.38 0.00 -1.91 -0.83 103.07 109.77 2weu h GLY 357 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 2weu h GLY 357 CO 0.00 0.05 -0.09 -2.22 0.00 0.00 0.00 176.54 174.28 2weu h ILE 358 N -0.08 1.27 -0.83 2.60 1.08 -1.83 -2.76 117.51 116.95 2weu h ILE 358 Ca 0.02 -1.22 0.08 0.00 -0.39 0.00 0.00 64.86 63.35 2weu h ILE 358 Cb 0.19 1.03 -0.07 0.00 -3.07 0.00 0.00 36.82 34.90 2weu h ILE 358 CO -0.00 0.43 0.49 0.15 -0.69 0.00 0.00 178.15 178.53 2weu h PHE 359 N 0.81 0.91 -0.55 1.37 3.57 -1.79 0.19 116.94 121.44 2weu h PHE 359 Ca 0.13 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 2weu h PHE 359 Cb 0.64 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2weu h PHE 359 CO 0.05 0.41 -0.04 0.74 -2.23 0.00 0.00 178.31 177.23 2weu h PHE 360 N 0.86 1.08 0.04 0.41 0.04 -0.98 0.00 116.94 118.39 2weu h PHE 360 Ca 0.38 -0.19 -0.00 0.00 2.80 0.00 0.00 57.97 60.96 2weu h PHE 360 Cb 0.28 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2weu h PHE 360 CO -0.05 0.98 -0.02 0.82 -0.60 0.00 0.00 178.31 179.44 2weu h ILE 361 N 0.90 1.09 -0.09 -0.55 2.04 -1.15 -2.41 117.51 117.34 2weu h ILE 361 Ca 0.15 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.61 2weu h ILE 361 Cb 0.58 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 2weu h ILE 361 CO 0.04 0.11 -0.05 -0.61 0.00 0.00 0.00 178.15 177.64 2weu h GLN 362 N -0.24 -0.04 -0.77 2.37 4.15 -0.33 -1.60 115.11 118.65 2weu h GLN 362 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2weu h GLN 362 Cb 0.22 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.88 2weu h GLN 362 CO 0.01 -0.03 0.50 1.25 -1.93 0.00 0.00 178.83 178.63 2weu h HIS 363 N -0.04 0.99 -0.59 3.99 2.76 -1.06 0.89 115.15 122.09 2weu h HIS 363 Ca 0.05 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 2weu h HIS 363 Cb 0.12 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 28.72 2weu h HIS 363 CO -0.16 0.64 0.26 0.00 -1.30 0.00 0.00 177.93 177.37 2weu h ALA 364 N 1.27 1.36 0.01 5.26 0.00 -1.09 0.00 119.26 126.07 2weu h ALA 364 Ca 0.28 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2weu h ALA 364 Cb -0.09 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.47 2weu h ALA 364 CO -0.06 0.49 -0.50 0.82 0.00 0.00 0.00 179.25 180.01 2weu h ILE 365 N 0.83 1.48 -0.72 0.00 2.04 -0.86 -1.22 117.51 119.06 2weu h ILE 365 Ca 0.20 -2.09 -0.06 0.00 1.00 0.00 0.00 64.86 63.91 2weu h ILE 365 Cb 0.12 2.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 2weu h ILE 365 CO -0.02 0.59 0.21 -0.33 0.00 0.00 0.00 178.15 178.60 2weu h GLU 366 N -0.27 1.13 0.00 2.37 5.08 -0.73 -1.79 114.58 120.35 2weu h GLU 366 Ca -0.07 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 2weu h GLU 366 Cb 1.24 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2weu h GLU 366 CO 0.10 0.97 -0.36 1.96 -1.00 0.00 0.00 179.01 180.68 2weu h GLN 367 N 1.08 0.00 -0.62 2.33 1.08 -1.06 -1.95 115.11 115.96 2weu h GLN 367 Ca 0.23 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.34 2weu h GLN 367 Cb 0.33 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 2weu h GLN 367 CO -0.00 0.36 0.05 1.25 -0.95 0.00 0.00 178.83 179.53 2weu h LEU 368 N 0.00 1.04 -0.19 1.46 5.85 -0.53 0.22 115.31 123.16 2weu h LEU 368 Ca -0.00 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 2weu h LEU 368 Cb 1.05 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2weu h LEU 368 CO 0.05 1.07 0.08 0.58 -0.34 0.00 0.00 178.44 179.88 2weu h VAL 369 N 0.98 1.15 -0.30 1.05 2.07 -1.17 0.21 116.25 120.24 2weu h VAL 369 Ca 0.18 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2weu h VAL 369 Cb 0.51 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2weu h VAL 369 CO 0.02 0.15 0.05 0.11 0.02 0.00 0.00 177.57 177.92 2weu h LYS 370 N 0.16 0.44 -0.58 1.57 1.57 -1.14 -2.51 116.57 116.09 2weu h LYS 370 Ca 0.06 -0.07 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 2weu h LYS 370 Cb 0.16 -0.08 -0.11 0.00 0.08 0.00 0.00 32.23 32.28 2weu h LYS 370 CO -0.01 0.43 0.17 0.72 -0.57 0.00 0.00 179.45 180.20 2weu n HIS 371 N -4.35 1.90 -1.78 -1.35 8.25 0.75 -5.03 115.22 113.61 2weu n HIS 371 Ca 0.01 -1.28 -0.41 0.00 -0.26 0.00 0.00 57.72 55.78 2weu n HIS 371 Cb 0.19 -0.59 -0.01 0.00 1.12 0.00 0.00 29.99 30.70 2weu n HIS 371 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2weu s PHE 372 N -3.04 2.67 0.47 4.41 5.36 0.72 -4.85 117.98 123.72 2weu s PHE 372 Ca 0.50 0.96 -0.13 0.00 -0.96 0.00 0.00 56.93 57.30 2weu s PHE 372 Cb 0.42 -4.05 -0.07 0.00 -0.34 0.00 0.00 43.02 38.97 2weu s PHE 372 CO 0.09 -3.34 0.89 -1.25 -1.46 0.00 0.00 175.22 170.15 2weu s PRO 373 N -1.25 3.83 0.55 10.12 0.04 -1.26 -5.07 135.00 141.95 2weu s PRO 373 Ca 0.58 0.69 0.03 0.00 0.04 0.00 0.00 61.00 62.35 2weu s PRO 373 Cb -0.47 -2.25 0.10 0.00 0.04 0.00 0.00 34.50 31.92 2weu s PRO 373 CO 0.55 -0.19 0.75 0.41 0.04 0.00 0.00 177.00 178.57 2weu n GLY 374 N -1.58 1.22 0.32 0.56 0.00 -1.26 -4.52 105.19 99.93 2weu n GLY 374 Ca 0.04 -2.10 0.21 0.00 0.00 0.00 0.00 46.02 44.17 2weu n GLY 374 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2weu h GLU 375 N 0.00 0.00 0.00 1.61 4.11 -1.96 -1.65 114.58 116.69 2weu h GLU 375 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 2weu h GLU 375 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2weu h GLU 375 CO 0.30 0.01 -0.03 0.54 0.07 0.00 0.00 179.01 179.90 2weu n ARG 376 N -3.16 0.21 -3.92 1.06 5.12 -1.26 -4.96 116.66 109.76 2weu n ARG 376 Ca -0.02 0.17 -0.32 0.00 -1.93 0.00 0.00 57.85 55.75 2weu n ARG 376 Cb 0.14 -1.74 0.00 0.00 -1.16 0.00 0.00 32.46 29.69 2weu n ARG 376 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 2weu n TRP 377 N -2.11 -1.65 -1.56 -1.55 7.02 -0.62 -4.75 117.44 112.22 2weu n TRP 377 Ca 0.06 0.51 -0.58 0.00 -1.02 0.00 0.00 57.50 56.47 2weu n TRP 377 Cb 0.41 -3.38 -0.09 0.00 -2.42 0.00 0.00 31.31 25.84 2weu n TRP 377 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 2weu n ASP 378 N -2.72 1.84 0.26 -0.99 -0.08 -1.26 -4.86 116.55 108.74 2weu n ASP 378 Ca -0.20 0.84 0.15 0.00 -1.51 0.00 0.00 54.79 54.07 2weu n ASP 378 Cb 0.63 -1.09 0.64 0.00 2.34 0.00 0.00 41.12 43.64 2weu n ASP 378 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2weu h PRO 379 N 8.59 0.00 -0.27 -0.67 0.13 -2.00 -2.72 132.00 135.07 2weu h PRO 379 Ca -0.34 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.62 2weu h PRO 379 Cb 1.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2weu h PRO 379 CO 1.01 0.09 -0.51 0.28 -0.23 0.00 0.00 178.00 178.63 2weu h VAL 380 N 0.00 1.29 -0.36 1.56 2.07 -1.99 0.23 116.25 119.05 2weu h VAL 380 Ca -0.00 -1.71 -0.05 0.00 0.82 0.00 0.00 66.70 65.75 2weu h VAL 380 Cb 0.55 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 2weu h VAL 380 CO 0.01 0.55 0.02 0.25 0.02 0.00 0.00 177.57 178.42 2weu h LEU 381 N 0.59 0.62 -0.38 2.57 5.85 -1.91 -1.44 115.31 121.21 2weu h LEU 381 Ca 0.02 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 2weu h LEU 381 Cb 1.09 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 2weu h LEU 381 CO 0.11 0.76 0.19 0.40 -0.34 0.00 0.00 178.44 179.56 2weu h ILE 382 N 0.45 1.16 -0.61 4.05 2.04 -1.34 -2.41 117.51 120.85 2weu h ILE 382 Ca 0.10 -0.45 0.08 0.00 1.00 0.00 0.00 64.86 65.60 2weu h ILE 382 Cb 0.44 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 2weu h ILE 382 CO 0.02 0.17 0.26 -1.28 0.00 0.00 0.00 178.15 177.32 2weu h SER 383 N 0.48 0.30 -0.93 1.72 0.87 -0.45 -1.86 113.55 113.67 2weu h SER 383 Ca 0.13 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2weu h SER 383 Cb 0.10 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.04 2weu h SER 383 CO -0.02 0.18 0.62 0.00 -0.53 0.00 0.00 176.83 177.08 2weu h ALA 384 N 1.39 1.18 -0.24 6.23 0.00 -1.02 -1.49 119.26 125.31 2weu h ALA 384 Ca 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2weu h ALA 384 Cb 0.33 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2weu h ALA 384 CO -0.27 0.58 0.12 -0.92 0.00 0.00 0.00 179.25 178.76 2weu h TYR 385 N 1.27 0.35 -0.79 0.00 3.20 -1.00 -2.20 116.97 117.79 2weu h TYR 385 Ca 0.34 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.23 2weu h TYR 385 Cb -0.14 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 37.97 2weu h TYR 385 CO -0.01 0.33 0.50 -0.91 -1.64 0.00 0.00 178.16 176.44 2weu h ASN 386 N 0.27 0.83 -0.38 -2.11 2.35 -1.13 -1.02 115.58 114.39 2weu h ASN 386 Ca 0.08 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 2weu h ASN 386 Cb 0.11 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2weu h ASN 386 CO -0.01 0.57 0.10 -0.08 -1.65 0.00 0.00 177.43 176.36 2weu h GLU 387 N 0.98 0.60 -0.62 0.81 4.81 -1.09 -0.77 114.58 119.31 2weu h GLU 387 Ca 0.32 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 2weu h GLU 387 Cb 0.02 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 2weu h GLU 387 CO -0.12 0.63 0.38 0.00 -0.73 0.00 0.00 179.01 179.17 2weu h ARG 388 N 0.47 0.72 -0.35 1.92 3.08 -1.16 -1.53 114.38 117.53 2weu h ARG 388 Ca 0.12 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 2weu h ARG 388 Cb 0.29 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2weu h ARG 388 CO -0.00 0.48 -0.27 0.52 -1.07 0.00 0.00 179.97 179.63 2weu h MET 389 N 0.74 0.71 -0.27 0.04 2.86 -0.84 -1.56 114.93 116.62 2weu h MET 389 Ca 0.25 -0.30 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 2weu h MET 389 Cb 0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2weu h MET 389 CO -0.11 0.90 0.02 0.00 1.06 0.00 0.00 176.91 178.78 2weu h ALA 390 N 1.09 0.36 -0.61 6.32 0.00 -0.84 -2.86 119.26 122.72 2weu h ALA 390 Ca 0.08 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2weu h ALA 390 Cb 0.77 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2weu h ALA 390 CO 0.06 0.08 0.16 0.45 0.00 0.00 0.00 179.25 180.00 2weu h HIS 391 N 0.25 0.98 -0.09 0.00 -0.00 -1.14 -0.45 115.15 114.70 2weu h HIS 391 Ca 0.08 -0.09 0.04 0.00 -0.00 0.00 0.00 60.37 60.39 2weu h HIS 391 Cb 0.39 -0.28 -0.06 0.00 -0.00 0.00 0.00 27.41 27.46 2weu h HIS 391 CO 0.03 0.80 -0.35 1.98 -0.00 0.00 0.00 177.93 180.39 2weu h MET 392 N 0.91 -0.43 -0.05 2.45 -1.53 -1.17 0.43 114.93 115.54 2weu h MET 392 Ca 0.20 0.03 -0.25 0.00 -3.44 0.00 0.00 59.70 56.23 2weu h MET 392 Cb 0.31 0.10 0.02 0.00 -0.55 0.00 0.00 31.60 31.47 2weu h MET 392 CO -0.00 -0.29 -0.97 0.28 0.14 0.00 0.00 176.91 176.07 2weu h VAL 393 N -0.45 1.28 -0.88 -5.77 2.07 -1.36 -2.98 116.25 108.16 2weu h VAL 393 Ca 0.08 -2.17 -0.01 0.00 0.82 0.00 0.00 66.70 65.42 2weu h VAL 393 Cb 0.58 2.26 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 2weu h VAL 393 CO -0.34 0.68 0.49 0.44 0.02 0.00 0.00 177.57 178.86 2weu h ASP 394 N 0.44 1.09 -0.60 0.57 3.32 -0.99 0.26 116.42 120.51 2weu h ASP 394 Ca -0.11 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 2weu h ASP 394 Cb 1.61 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.86 2weu h ASP 394 CO 0.19 0.87 0.37 1.23 -1.72 0.00 0.00 179.24 180.18 2weu h GLY 395 N 1.22 0.86 1.18 2.75 0.00 -0.96 -1.42 103.07 106.70 2weu h GLY 395 Ca 0.31 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 2weu h GLY 395 CO -0.05 0.34 0.12 -2.08 0.00 0.00 0.00 176.54 174.86 2weu h VAL 396 N 0.81 1.25 -0.17 4.60 2.07 -1.27 -1.57 116.25 121.98 2weu h VAL 396 Ca 0.22 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.81 2weu h VAL 396 Cb -0.04 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 2weu h VAL 396 CO -0.04 0.36 -0.16 0.50 0.02 0.00 0.00 177.57 178.25 2weu h LYS 397 N 0.96 -0.18 -0.15 1.57 3.64 -0.14 0.15 116.57 122.42 2weu h LYS 397 Ca 0.20 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2weu h LYS 397 Cb 0.39 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2weu h LYS 397 CO 0.01 -0.12 0.10 0.93 -2.27 0.00 0.00 179.45 178.10 2weu h GLU 398 N -0.18 0.19 -0.79 1.90 5.08 -1.06 -1.34 114.58 118.38 2weu h GLU 398 Ca 0.11 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 2weu h GLU 398 Cb 0.34 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 2weu h GLU 398 CO -0.28 0.13 0.48 0.35 -1.00 0.00 0.00 179.01 178.69 2weu h PHE 399 N 0.20 0.89 -0.43 4.33 3.57 -0.85 -1.88 116.94 122.77 2weu h PHE 399 Ca 0.06 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 2weu h PHE 399 Cb -0.02 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 2weu h PHE 399 CO -0.07 0.45 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.25 2weu h LEU 400 N 0.89 0.87 -1.31 0.59 3.38 -0.44 -2.42 115.31 116.88 2weu h LEU 400 Ca 0.34 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2weu h LEU 400 Cb 0.15 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2weu h LEU 400 CO -0.17 1.05 0.45 0.58 0.09 0.00 0.00 178.44 180.45 2weu h VAL 401 N 0.68 1.18 -0.52 1.22 2.07 -0.99 -0.12 116.25 119.78 2weu h VAL 401 Ca 0.10 -0.34 0.10 0.00 0.82 0.00 0.00 66.70 67.38 2weu h VAL 401 Cb 0.69 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2weu h VAL 401 CO 0.05 0.18 0.35 0.25 0.02 0.00 0.00 177.57 178.42 2weu h LEU 402 N 0.94 0.24 -0.17 2.57 5.85 -0.86 -0.33 115.31 123.55 2weu h LEU 402 Ca 0.25 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2weu h LEU 402 Cb -0.09 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 2weu h LEU 402 CO -0.05 0.15 0.11 0.45 -0.34 0.00 0.00 178.44 178.75 2weu h HIS 403 N 0.27 0.22 -0.13 1.25 3.86 -0.74 0.14 115.15 120.03 2weu h HIS 403 Ca 0.24 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.32 2weu h HIS 403 Cb 0.59 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 2weu h HIS 403 CO -0.00 0.17 -0.49 1.88 0.86 0.00 0.00 177.93 180.35 2weu h TYR 404 N 0.21 0.40 -0.06 2.45 0.05 -1.10 -1.55 116.97 117.38 2weu h TYR 404 Ca 0.06 -0.13 -0.16 0.00 0.05 0.00 0.00 58.73 58.55 2weu h TYR 404 Cb 0.01 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 2weu h TYR 404 CO -0.06 0.76 -0.67 0.87 -1.05 0.00 0.00 178.16 178.01 2weu h LYS 405 N 0.26 0.26 -0.01 4.88 1.79 -0.91 -3.17 116.57 119.67 2weu h LYS 405 Ca 0.01 -0.20 -0.16 0.00 -2.18 0.00 0.00 60.65 58.12 2weu h LYS 405 Cb 0.96 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.63 2weu h LYS 405 CO 0.08 0.83 -0.75 0.78 -1.08 0.00 0.00 179.45 179.32 2weu h GLY 406 N 1.51 0.09 -5.21 3.86 0.00 -0.57 -3.45 103.07 99.30 2weu h GLY 406 Ca -0.02 -0.14 -0.58 0.00 0.00 0.00 0.00 47.33 46.59 2weu h GLY 406 CO 0.10 0.13 0.94 0.00 0.00 0.00 0.00 176.54 177.71 2weu n ALA 407 N -2.43 1.36 0.55 3.60 0.00 -0.60 -4.25 120.51 118.75 2weu n ALA 407 Ca -0.02 0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.92 2weu n ALA 407 Cb 0.72 -2.43 0.11 0.00 0.00 0.00 0.00 19.45 17.85 2weu n ALA 407 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2weu n GLN 408 N 4.70 0.30 -2.10 0.00 1.13 -0.96 -4.94 117.38 115.52 2weu n GLN 408 Ca 0.19 0.05 -0.38 0.00 -1.94 0.00 0.00 57.00 54.92 2weu n GLN 408 Cb 0.30 -1.66 0.00 0.00 0.11 0.00 0.00 30.24 29.00 2weu n GLN 408 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2weu s ARG 409 N -3.19 3.72 -0.04 -1.09 1.70 -1.07 -4.94 118.95 114.04 2weu s ARG 409 Ca 0.05 2.00 0.21 0.00 -0.47 0.00 0.00 55.73 57.52 2weu s ARG 409 Cb 0.14 -2.51 0.37 0.00 -0.57 0.00 0.00 34.95 32.38 2weu s ARG 409 CO 0.75 -0.65 1.14 0.39 -1.08 0.00 0.00 175.30 175.86 2weu n GLU 410 N -0.36 0.21 0.02 3.89 1.02 -1.26 -4.70 120.64 119.46 2weu n GLU 410 Ca 0.07 -1.97 0.11 0.00 -0.02 0.00 0.00 57.16 55.35 2weu n GLU 410 Cb 0.46 -0.07 -0.02 0.00 -0.02 0.00 0.00 31.44 31.78 2weu n GLU 410 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2weu n ASP 411 N 0.25 0.57 -4.31 1.62 5.75 -1.26 -4.59 116.55 114.58 2weu n ASP 411 Ca -0.00 -0.22 -0.17 0.00 -0.01 0.00 0.00 54.79 54.39 2weu n ASP 411 Cb 1.03 0.98 -0.10 0.00 -1.03 0.00 0.00 41.12 42.00 2weu n ASP 411 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2weu s THR 412 N -3.24 1.50 0.32 2.12 -4.23 -1.26 -5.04 115.64 105.82 2weu s THR 412 Ca 0.02 -2.15 0.10 0.00 -1.18 0.00 0.00 61.69 58.48 2weu s THR 412 Cb 0.14 -1.97 0.32 0.00 1.34 0.00 0.00 72.50 72.32 2weu s THR 412 CO 0.82 -0.65 1.68 -0.65 -0.54 0.00 0.00 174.62 175.28 2weu h PRO 413 N 2.64 0.37 -0.36 3.99 0.11 -1.91 -1.41 132.00 135.43 2weu h PRO 413 Ca -0.37 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 2weu h PRO 413 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2weu h PRO 413 CO 0.63 0.24 0.19 -0.92 -0.21 0.00 0.00 178.00 177.93 2weu h TYR 414 N 0.38 0.49 0.00 0.65 3.20 -1.94 -0.68 116.97 119.06 2weu h TYR 414 Ca 0.66 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.37 2weu h TYR 414 Cb 1.40 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.49 2weu h TYR 414 CO -0.06 0.39 -0.73 -1.49 -1.64 0.00 0.00 178.16 174.62 2weu h TRP 415 N 0.45 0.00 -0.50 -3.82 4.06 -1.60 -1.16 115.95 113.38 2weu h TRP 415 Ca 0.12 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.98 2weu h TRP 415 Cb 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.21 2weu h TRP 415 CO -0.03 0.73 -0.06 0.87 -3.56 0.00 0.00 178.44 176.40 2weu h LYS 416 N 0.00 0.93 -0.58 0.49 1.57 -1.05 -3.07 116.57 114.86 2weu h LYS 416 Ca -0.01 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.38 2weu h LYS 416 Cb 1.31 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 2weu h LYS 416 CO 0.10 0.98 0.10 0.00 -0.57 0.00 0.00 179.45 180.05 2weu h ALA 417 N 0.91 1.08 -0.87 3.86 0.00 -0.93 -2.45 119.26 120.86 2weu h ALA 417 Ca 0.13 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.91 2weu h ALA 417 Cb 0.60 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2weu h ALA 417 CO 0.04 0.60 0.56 0.00 0.00 0.00 0.00 179.25 180.45 2weu h ALA 418 N 1.23 1.71 -0.51 0.00 0.00 -1.14 -1.85 119.26 118.70 2weu h ALA 418 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2weu h ALA 418 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2weu h ALA 418 CO 0.01 0.09 0.04 0.87 0.00 0.00 0.00 179.25 180.26 2weu h LYS 419 N 0.80 0.83 -0.13 0.00 1.79 -1.35 -3.25 116.57 115.26 2weu h LYS 419 Ca 0.42 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2weu h LYS 419 Cb 0.50 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 2weu h LYS 419 CO -0.18 0.80 0.00 0.25 -1.08 0.00 0.00 179.45 179.24 2weu n THR 420 N -4.23 0.23 -2.32 -0.16 -2.24 -1.09 -5.01 114.28 99.46 2weu n THR 420 Ca 0.03 -0.61 -0.36 0.00 -2.27 0.00 0.00 64.05 60.83 2weu n THR 420 Cb 0.28 1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 69.64 2weu n THR 420 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2weu s ARG 421 N -1.26 3.77 0.64 -0.78 3.52 -0.72 -4.97 118.95 119.15 2weu s ARG 421 Ca 0.22 1.68 -0.17 0.00 -0.13 0.00 0.00 55.73 57.33 2weu s ARG 421 Cb 0.14 -2.35 -0.05 0.00 -1.56 0.00 0.00 34.95 31.14 2weu s ARG 421 CO 0.21 -0.52 0.78 0.00 -0.81 0.00 0.00 175.30 174.95 2weu n ALA 422 N -0.57 -0.51 -2.28 6.12 0.00 -1.26 -5.04 120.51 116.97 2weu n ALA 422 Ca 0.08 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2weu n ALA 422 Cb 0.49 -2.00 -0.10 0.00 0.00 0.00 0.00 19.45 17.84 2weu n ALA 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2weu s MET 423 N -2.70 1.17 0.46 0.00 0.23 -1.26 -4.50 119.30 112.70 2weu s MET 423 Ca 0.72 -1.55 -0.24 0.00 -1.03 0.00 0.00 55.69 53.59 2weu s MET 423 Cb -0.40 -0.53 -0.07 0.00 -1.53 0.00 0.00 34.83 32.30 2weu s MET 423 CO 0.51 -0.04 1.34 -2.14 -2.03 0.00 0.00 175.02 172.66 2weu s PRO 424 N -3.83 3.65 0.37 3.16 0.02 -1.26 -4.89 135.00 132.22 2weu s PRO 424 Ca 0.23 2.21 0.09 0.00 0.02 0.00 0.00 61.00 63.55 2weu s PRO 424 Cb 0.05 -2.56 0.82 0.00 0.02 0.00 0.00 34.50 32.82 2weu s PRO 424 CO 0.04 -0.77 1.92 -0.44 -0.33 0.00 0.00 177.00 177.43 2weu h ASP 425 N 2.20 0.61 0.45 2.53 3.32 -2.04 -1.98 116.42 121.52 2weu h ASP 425 Ca -0.50 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2weu h ASP 425 Cb 1.27 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2weu h ASP 425 CO 0.61 0.36 0.00 0.61 -1.72 0.00 0.00 179.24 179.09 2weu n GLY 426 N -1.46 -1.12 0.09 2.75 0.00 -1.26 -3.09 105.19 101.10 2weu n GLY 426 Ca 0.13 0.13 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 2weu n GLY 426 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2weu h LEU 427 N 0.00 0.00 -0.33 0.99 5.85 -1.72 -3.30 115.31 116.79 2weu h LEU 427 Ca 0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2weu h LEU 427 Cb 0.23 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 2weu h LEU 427 CO 0.00 0.84 0.05 0.00 -0.34 0.00 0.00 178.44 178.99 2weu h ALA 428 N 1.16 0.34 -0.72 1.25 0.00 -1.71 0.32 119.26 119.90 2weu h ALA 428 Ca -0.01 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2weu h ALA 428 Cb 1.50 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 2weu h ALA 428 CO 0.11 -0.36 0.46 -0.09 0.00 0.00 0.00 179.25 179.37 2weu h ARG 429 N 0.16 0.87 -0.57 0.00 9.65 -1.78 -0.49 114.38 122.21 2weu h ARG 429 Ca 0.16 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.93 2weu h ARG 429 Cb 0.19 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 2weu h ARG 429 CO -0.23 0.57 0.14 0.87 2.80 0.00 0.00 179.97 184.12 2weu h LYS 430 N 0.89 0.91 -0.67 0.20 1.57 -1.34 0.13 116.57 118.27 2weu h LYS 430 Ca 0.29 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2weu h LYS 430 Cb 0.00 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2weu h LYS 430 CO -0.10 0.85 0.25 -0.07 -0.57 0.00 0.00 179.45 179.80 2weu h LEU 431 N 0.81 0.93 -0.48 2.94 3.38 -0.53 -1.53 115.31 120.84 2weu h LEU 431 Ca 0.18 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2weu h LEU 431 Cb 0.35 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2weu h LEU 431 CO 0.00 0.86 0.18 -0.33 0.09 0.00 0.00 178.44 179.25 2weu h GLU 432 N 0.95 0.72 -0.96 1.13 5.08 -0.64 -2.40 114.58 118.45 2weu h GLU 432 Ca 0.22 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2weu h GLU 432 Cb 0.24 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2weu h GLU 432 CO -0.01 0.65 0.61 -0.07 -1.00 0.00 0.00 179.01 179.19 2weu h LEU 433 N 0.63 1.13 -0.94 1.33 3.38 -0.67 -3.01 115.31 117.15 2weu h LEU 433 Ca 0.16 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2weu h LEU 433 Cb 0.21 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2weu h LEU 433 CO -0.01 0.84 -0.03 0.28 0.09 0.00 0.00 178.44 179.61 2weu h SER 434 N 1.31 0.00 1.17 -0.43 0.02 -0.80 0.13 113.55 114.95 2weu h SER 434 Ca 0.35 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 2weu h SER 434 Cb -0.11 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 2weu h SER 434 CO -0.07 0.03 -0.07 0.00 -1.14 0.00 0.00 176.83 175.58 2weu h ALA 435 N 1.97 1.00 0.00 3.77 0.00 -1.31 -3.26 119.26 121.43 2weu h ALA 435 Ca -0.00 -0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.52 2weu h ALA 435 Cb 0.70 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2weu h ALA 435 CO 0.00 0.08 -2.11 0.45 0.00 0.00 0.00 179.25 177.67 2weu n SER 436 N -3.17 1.61 -3.91 0.00 2.88 -0.30 -1.51 113.62 109.22 2weu n SER 436 Ca 0.01 0.18 -0.08 0.00 -1.33 0.00 0.00 58.87 57.65 2weu n SER 436 Cb 0.38 -0.54 -0.04 0.00 -0.75 0.00 0.00 64.21 63.27 2weu n SER 436 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2weu s HIS 437 N -2.37 0.10 0.38 0.66 0.00 0.29 -4.45 115.29 109.91 2weu s HIS 437 Ca -0.28 -0.52 -0.26 0.00 -3.00 0.00 0.00 55.06 51.01 2weu s HIS 437 Cb 0.10 0.44 -0.09 0.00 -4.00 0.00 0.00 32.58 29.03 2weu s HIS 437 CO 0.37 -1.12 1.18 -0.51 -1.00 0.00 0.00 174.74 173.66 2weu s LEU 438 N -2.97 4.25 0.80 5.38 1.43 -1.26 -3.75 118.68 122.56 2weu s LEU 438 Ca 0.17 2.39 -0.13 0.00 -1.03 0.00 0.00 54.13 55.53 2weu s LEU 438 Cb -0.03 -3.94 0.08 0.00 0.03 0.00 0.00 46.19 42.33 2weu s LEU 438 CO 0.08 -0.62 1.17 -0.76 0.23 0.00 0.00 176.35 176.46 2weu s LEU 439 N -2.32 3.12 0.00 1.79 1.43 -1.26 -4.99 118.68 116.45 2weu s LEU 439 Ca 0.55 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.89 2weu s LEU 439 Cb -0.32 -4.57 -0.00 0.00 0.03 0.00 0.00 46.19 41.32 2weu s LEU 439 CO 0.41 -2.55 0.03 -0.90 0.23 0.00 0.00 176.35 173.57 2weu n ASP 440 N -3.36 -0.07 0.06 2.29 5.68 -1.26 -4.89 116.55 115.00 2weu n ASP 440 Ca 0.12 -1.18 0.17 0.00 -0.50 0.00 0.00 54.79 53.40 2weu n ASP 440 Cb 0.51 0.16 0.67 0.00 -1.14 0.00 0.00 41.12 41.32 2weu n ASP 440 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2weu h GLU 441 N 0.00 0.02 0.00 0.11 3.07 -1.96 -0.63 114.58 115.19 2weu h GLU 441 Ca -0.02 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2weu h GLU 441 Cb 0.10 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2weu h GLU 441 CO 0.03 0.01 -0.41 1.04 -1.40 0.00 0.00 179.01 178.29 2weu n GLN 442 N -4.43 0.00 0.00 2.33 1.13 -1.26 -4.30 117.38 110.86 2weu n GLN 442 Ca 0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 2weu n GLN 442 Cb 0.46 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.31 2weu n GLN 442 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2weu n THR 443 N -1.50 0.00 -1.68 5.09 -2.24 -0.31 -4.99 114.28 108.65 2weu n THR 443 Ca 0.06 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 61.06 2weu n THR 443 Cb 0.34 1.02 0.22 0.00 -2.10 0.00 0.00 70.33 69.81 2weu n THR 443 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2weu n ILE 444 N -0.65 0.00 -1.69 2.28 -5.35 -0.82 -4.85 119.36 108.29 2weu n ILE 444 Ca 0.00 -0.85 -0.45 0.00 -0.27 0.00 0.00 62.75 61.19 2weu n ILE 444 Cb 0.00 -1.43 -0.04 0.00 -1.74 0.00 0.00 39.64 36.44 2weu n ILE 444 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2weu n TYR 445 N -4.17 2.46 1.20 4.28 9.36 -1.26 -4.87 117.16 124.15 2weu n TYR 445 Ca 0.16 0.09 0.14 0.00 3.32 0.00 0.00 57.90 61.61 2weu n TYR 445 Cb 0.59 -2.63 0.51 0.00 -0.63 0.00 0.00 39.34 37.18 2weu n TYR 445 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2weu n PRO 446 N 4.49 0.35 -4.25 2.98 -0.04 -1.26 -4.86 135.00 132.42 2weu n PRO 446 Ca 0.18 -0.13 -0.23 0.00 -0.04 0.00 0.00 63.50 63.28 2weu n PRO 446 Cb 0.32 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.22 2weu n PRO 446 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2weu s TYR 447 N -2.73 2.75 0.10 0.54 2.02 -1.26 -5.06 117.35 113.71 2weu s TYR 447 Ca 0.21 -0.23 -0.31 0.00 -0.37 0.00 0.00 57.07 56.37 2weu s TYR 447 Cb 0.19 -1.28 -0.10 0.00 -0.40 0.00 0.00 41.96 40.38 2weu s TYR 447 CO 0.55 0.57 1.78 -0.47 -1.57 0.00 0.00 175.55 176.41 2weu s TYR 448 N -2.31 2.19 0.00 2.71 5.04 -1.26 -4.84 117.35 118.87 2weu s TYR 448 Ca 0.32 0.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.01 2weu s TYR 448 Cb -0.06 -4.12 0.00 0.00 0.35 0.00 0.00 41.96 38.13 2weu s TYR 448 CO 0.21 -4.61 0.70 -2.39 -1.34 0.00 0.00 175.55 168.12 2weu n HIS 449 N 5.74 0.00 -0.14 4.97 1.44 -1.26 -3.48 115.22 122.49 2weu n HIS 449 Ca 0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.88 2weu n HIS 449 Cb 0.39 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.49 2weu n HIS 449 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2weu n GLY 450 N 0.00 1.35 3.22 -1.39 0.00 -1.26 -4.55 105.19 102.56 2weu n GLY 450 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2weu n GLY 450 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2weu s PHE 451 N -2.66 1.53 0.51 1.61 0.40 -1.26 -5.13 117.98 112.99 2weu s PHE 451 Ca 0.00 -0.40 0.05 0.00 -0.60 0.00 0.00 56.93 55.98 2weu s PHE 451 Cb 0.00 -0.88 0.02 0.00 0.51 0.00 0.00 43.02 42.67 2weu s PHE 451 CO 0.00 0.11 0.32 -1.21 0.70 0.00 0.00 175.22 175.14 2weu s GLU 452 N -1.52 2.26 0.18 0.44 2.02 -1.26 -5.03 118.70 115.79 2weu s GLU 452 Ca 0.04 -2.01 -0.15 0.00 0.02 0.00 0.00 54.97 52.87 2weu s GLU 452 Cb -0.09 -2.03 0.15 0.00 0.10 0.00 0.00 34.13 32.25 2weu s GLU 452 CO 0.03 -0.49 1.70 1.15 0.02 0.00 0.00 175.26 177.67 2weu h THR 453 N 0.93 0.70 -0.77 3.63 2.02 -1.96 -1.85 112.91 115.61 2weu h THR 453 Ca -0.39 -0.05 0.13 0.00 0.77 0.00 0.00 66.41 66.87 2weu h THR 453 Cb 1.29 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 2weu h THR 453 CO 0.61 0.03 0.51 0.10 0.37 0.00 0.00 175.52 177.14 2weu h TYR 454 N 0.15 0.60 -0.45 3.16 -0.00 -1.96 -0.70 116.97 117.77 2weu h TYR 454 Ca 0.22 0.02 -0.03 0.00 0.00 0.00 0.00 58.73 58.93 2weu h TYR 454 Cb 0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 36.73 36.83 2weu h TYR 454 CO -0.26 0.24 0.16 0.77 -0.00 0.00 0.00 178.16 179.07 2weu h SER 455 N 0.52 0.65 -0.18 0.10 0.02 -1.72 0.74 113.55 113.68 2weu h SER 455 Ca 0.38 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2weu h SER 455 Cb 0.72 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2weu h SER 455 CO -0.14 0.67 0.07 -0.50 -1.14 0.00 0.00 176.83 175.79 2weu h TRP 456 N 0.59 0.29 -0.02 3.45 4.06 -1.13 -2.22 115.95 120.97 2weu h TRP 456 Ca 0.15 -0.02 -0.14 0.00 2.06 0.00 0.00 58.89 60.93 2weu h TRP 456 Cb 0.24 -0.08 -0.02 0.00 -1.00 0.00 0.00 29.16 28.30 2weu h TRP 456 CO 0.01 0.35 -0.65 -0.84 -3.56 0.00 0.00 178.44 173.75 2weu h ILE 457 N 0.14 1.44 -0.49 1.49 3.07 -1.20 -2.26 117.51 119.70 2weu h ILE 457 Ca 0.06 -2.16 -0.06 0.00 1.55 0.00 0.00 64.86 64.25 2weu h ILE 457 Cb 0.19 2.15 -0.02 0.00 -0.27 0.00 0.00 36.82 38.87 2weu h ILE 457 CO -0.00 0.63 0.06 0.74 -1.05 0.00 0.00 178.15 178.52 2weu h THR 458 N 0.07 1.25 -0.46 0.16 2.02 -0.72 0.10 112.91 115.33 2weu h THR 458 Ca -0.01 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.18 2weu h THR 458 Cb 1.16 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 2weu h THR 458 CO 0.09 0.34 0.21 0.24 0.37 0.00 0.00 175.52 176.78 2weu h MET 459 N 0.70 0.67 0.29 6.66 2.86 -1.36 0.11 114.93 124.87 2weu h MET 459 Ca 0.15 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2weu h MET 459 Cb 0.43 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2weu h MET 459 CO 0.01 0.58 -0.20 -0.91 1.06 0.00 0.00 176.91 177.45 2weu h ASN 460 N 0.60 -0.52 0.18 1.22 2.35 -1.17 -0.45 115.58 117.79 2weu h ASN 460 Ca 0.16 0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.84 2weu h ASN 460 Cb 0.14 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2weu h ASN 460 CO -0.02 -0.32 -0.39 -0.07 -1.65 0.00 0.00 177.43 174.99 2weu h LEU 461 N -0.49 0.30 -0.44 1.61 3.38 -0.95 0.29 115.31 119.01 2weu h LEU 461 Ca -0.02 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 2weu h LEU 461 Cb 0.42 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2weu h LEU 461 CO 0.01 0.66 0.03 1.23 0.09 0.00 0.00 178.44 180.46 2weu h GLY 462 N 1.17 0.81 1.67 0.83 0.00 -0.88 -3.28 103.07 103.40 2weu h GLY 462 Ca 0.02 -0.58 -0.24 0.00 0.00 0.00 0.00 47.33 46.53 2weu h GLY 462 CO 0.06 0.53 -1.22 1.41 0.00 0.00 0.00 176.54 177.32 2weu h LEU 463 N 0.60 0.10 0.00 3.11 3.38 -0.91 -3.48 115.31 118.12 2weu h LEU 463 Ca 0.13 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2weu h LEU 463 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2weu h LEU 463 CO 0.02 1.10 0.00 0.61 0.09 0.00 0.00 178.44 180.26 2weu n GLY 464 N 1.45 1.01 3.42 0.83 0.00 0.03 -4.27 105.19 107.66 2weu n GLY 464 Ca -0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 2weu n GLY 464 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2weu s ILE 465 N -1.46 4.87 -0.01 -0.61 1.01 0.80 -4.99 121.20 120.82 2weu s ILE 465 Ca 0.00 -1.61 0.07 0.00 0.00 0.00 0.00 60.65 59.11 2weu s ILE 465 Cb 0.00 -4.69 -0.03 0.00 0.01 0.00 0.00 42.46 37.76 2weu s ILE 465 CO 0.00 -1.38 -0.21 -0.69 0.00 0.00 0.00 174.94 172.66 2weu s VAL 466 N 2.31 2.50 0.56 2.92 1.01 -1.26 -4.03 120.40 124.41 2weu s VAL 466 Ca 0.27 -1.05 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 2weu s VAL 466 Cb -0.08 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2weu s VAL 466 CO -0.07 0.51 1.31 -2.84 0.00 0.00 0.00 175.10 174.01 2weu s PRO 467 N -0.89 3.09 0.24 2.72 0.02 -1.23 -4.74 135.00 134.21 2weu s PRO 467 Ca 0.12 2.11 -0.05 0.00 0.02 0.00 0.00 61.00 63.20 2weu s PRO 467 Cb -0.10 -2.17 0.38 0.00 0.02 0.00 0.00 34.50 32.63 2weu s PRO 467 CO 0.01 -1.19 1.81 1.49 -0.33 0.00 0.00 177.00 178.79 2weu h GLU 468 N 1.31 0.74 -4.23 5.54 4.81 -1.48 -3.43 114.58 117.83 2weu h GLU 468 Ca -0.51 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 58.55 2weu h GLU 468 Cb 1.30 -0.17 -0.15 0.00 0.63 0.00 0.00 28.75 30.37 2weu h GLU 468 CO 0.57 0.49 -0.63 1.03 -0.73 0.00 0.00 179.01 179.73 2weu s ARG 469 N -6.04 0.72 0.97 1.92 0.52 -1.26 -5.15 118.95 110.63 2weu s ARG 469 Ca -0.12 -1.25 -0.12 0.00 -0.52 0.00 0.00 55.73 53.72 2weu s ARG 469 Cb 0.19 0.23 0.17 0.00 0.52 0.00 0.00 34.95 36.06 2weu s ARG 469 CO 0.78 -0.17 1.09 -1.25 0.02 0.00 0.00 175.30 175.77 2weu s PRO 470 N -3.95 0.68 0.07 3.54 0.04 -1.26 -4.86 135.00 129.26 2weu s PRO 470 Ca 0.11 0.71 -0.31 0.00 0.04 0.00 0.00 61.00 61.55 2weu s PRO 470 Cb 0.07 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.76 2weu s PRO 470 CO -0.07 -2.61 1.88 0.54 0.04 0.00 0.00 177.00 176.78 2weu n ARG 471 N -4.12 2.73 -0.13 4.56 5.12 -1.26 -4.86 116.66 118.69 2weu n ARG 471 Ca 0.06 1.00 0.13 0.00 -1.93 0.00 0.00 57.85 57.11 2weu n ARG 471 Cb 0.56 -2.90 0.49 0.00 -1.16 0.00 0.00 32.46 29.45 2weu n ARG 471 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2weu h PRO 472 N 9.21 0.42 -0.47 5.56 0.11 -1.98 -0.86 132.00 143.99 2weu h PRO 472 Ca -0.48 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.72 2weu h PRO 472 Cb 1.24 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2weu h PRO 472 CO 0.94 0.28 0.33 0.00 -0.21 0.00 0.00 178.00 179.34 2weu h ALA 473 N 1.66 2.25 0.00 -0.75 0.00 -2.01 -1.59 119.26 118.83 2weu h ALA 473 Ca 0.33 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 2weu h ALA 473 Cb 0.68 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2weu h ALA 473 CO -0.10 -0.38 -0.24 -0.07 0.00 0.00 0.00 179.25 178.46 2weu h LEU 474 N 0.14 0.00 -0.79 0.00 3.38 -1.53 -0.98 115.31 115.53 2weu h LEU 474 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2weu h LEU 474 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2weu h LEU 474 CO -0.03 0.24 0.00 -0.07 0.09 0.00 0.00 178.44 178.67 2weu h LEU 475 N 0.00 0.00 -1.20 1.67 3.38 -1.44 -2.26 115.31 115.46 2weu h LEU 475 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2weu h LEU 475 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2weu h LEU 475 CO 0.03 0.00 -0.06 1.41 0.09 0.00 0.00 178.44 179.91 2weu n HIS 476 N -2.48 0.00 -4.27 1.13 8.25 -0.37 -4.98 115.22 112.49 2weu n HIS 476 Ca 0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.19 2weu n HIS 476 Cb 0.28 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.27 2weu n HIS 476 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2weu s MET 477 N -2.08 1.98 -0.03 -0.41 -1.94 -0.85 -5.08 119.30 110.88 2weu s MET 477 Ca 0.32 -1.15 -0.30 0.00 -1.71 0.00 0.00 55.69 52.86 2weu s MET 477 Cb 0.20 -2.19 -0.07 0.00 2.01 0.00 0.00 34.83 34.78 2weu s MET 477 CO 0.36 0.48 1.76 0.34 -0.01 0.00 0.00 175.02 177.94 2weu s ASP 478 N -2.35 6.59 0.00 3.03 2.15 -1.26 -4.89 116.67 119.94 2weu s ASP 478 Ca 0.21 2.37 0.29 0.00 0.43 0.00 0.00 52.55 55.85 2weu s ASP 478 Cb -0.10 -2.53 1.25 0.00 -0.30 0.00 0.00 42.92 41.24 2weu s ASP 478 CO 0.13 -0.97 1.88 -0.81 -0.17 0.00 0.00 175.17 175.23 2weu n PRO 479 N 7.27 0.55 -0.07 4.34 -0.04 -1.26 -4.34 135.00 141.46 2weu n PRO 479 Ca 0.18 -0.15 -0.07 0.00 -0.04 0.00 0.00 63.50 63.41 2weu n PRO 479 Cb 0.42 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.37 2weu n PRO 479 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2weu h ALA 480 N 3.50 0.19 -0.70 0.55 0.00 -1.99 -1.11 119.26 119.70 2weu h ALA 480 Ca 0.00 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.10 2weu h ALA 480 Cb 0.36 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 2weu h ALA 480 CO 0.00 -0.46 0.35 -1.35 0.00 0.00 0.00 179.25 177.79 2weu h PRO 481 N 0.01 0.58 -0.33 0.00 0.11 -2.00 0.20 132.00 130.58 2weu h PRO 481 Ca 0.13 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 2weu h PRO 481 Cb 0.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 2weu h PRO 481 CO -0.26 0.38 0.00 0.00 -0.21 0.00 0.00 178.00 177.92 2weu h ALA 482 N 1.42 0.44 -0.60 -0.75 0.00 -1.76 -1.55 119.26 116.46 2weu h ALA 482 Ca 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2weu h ALA 482 Cb 0.35 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2weu h ALA 482 CO -0.26 0.19 0.24 -0.07 0.00 0.00 0.00 179.25 179.35 2weu h LEU 483 N 0.38 0.80 -0.98 0.00 3.38 -0.52 -0.72 115.31 117.65 2weu h LEU 483 Ca 0.09 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2weu h LEU 483 Cb 0.44 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2weu h LEU 483 CO 0.02 0.72 0.17 0.00 0.09 0.00 0.00 178.44 179.44 2weu h ALA 484 N 1.40 1.18 -0.33 1.53 0.00 -0.42 -2.16 119.26 120.45 2weu h ALA 484 Ca 0.21 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2weu h ALA 484 Cb 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2weu h ALA 484 CO -0.02 0.57 -0.44 1.49 0.00 0.00 0.00 179.25 180.85 2weu h GLU 485 N 0.88 0.85 -0.99 0.00 4.57 -0.54 -0.45 114.58 118.89 2weu h GLU 485 Ca 0.20 -0.47 0.06 0.00 -1.18 0.00 0.00 59.36 57.96 2weu h GLU 485 Cb 0.28 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.83 2weu h GLU 485 CO -0.01 1.11 0.64 0.74 -1.18 0.00 0.00 179.01 180.32 2weu h PHE 486 N 0.68 1.19 -0.27 0.92 0.05 -1.03 -0.73 116.94 117.75 2weu h PHE 486 Ca 0.04 0.03 -0.10 0.00 3.82 0.00 0.00 57.97 61.76 2weu h PHE 486 Cb 1.02 -0.39 -0.01 0.00 2.00 0.00 0.00 35.95 38.58 2weu h PHE 486 CO 0.06 0.62 -0.22 0.93 -0.18 0.00 0.00 178.31 179.52 2weu h GLU 487 N 1.17 0.63 -0.57 1.51 4.39 -1.03 -2.34 114.58 118.34 2weu h GLU 487 Ca 0.43 -0.32 0.08 0.00 0.34 0.00 0.00 59.36 59.89 2weu h GLU 487 Cb 0.15 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.74 2weu h GLU 487 CO -0.17 0.91 0.21 0.00 -1.16 0.00 0.00 179.01 178.80 2weu h ARG 488 N 0.36 0.38 -0.62 2.33 3.08 -0.77 -1.45 114.38 117.69 2weu h ARG 488 Ca 0.05 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.09 2weu h ARG 488 Cb 0.77 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.70 2weu h ARG 488 CO 0.06 0.25 0.39 -0.07 -1.07 0.00 0.00 179.97 179.53 2weu h LEU 489 N 0.39 0.66 0.03 3.04 3.38 -0.97 0.25 115.31 122.09 2weu h LEU 489 Ca 0.28 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 2weu h LEU 489 Cb 0.33 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2weu h LEU 489 CO -0.28 0.47 -0.01 -0.09 0.09 0.00 0.00 178.44 178.61 2weu h ARG 490 N 0.79 -0.03 -0.53 1.13 2.43 -1.15 -1.18 114.38 115.84 2weu h ARG 490 Ca 0.24 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.34 2weu h ARG 490 Cb -0.03 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2weu h ARG 490 CO -0.08 0.14 0.05 -0.09 -1.51 0.00 0.00 179.97 178.48 2weu h ARG 491 N -0.20 0.91 -0.46 0.20 2.43 -1.07 -0.93 114.38 115.26 2weu h ARG 491 Ca -0.00 -0.26 0.01 0.00 -0.81 0.00 0.00 59.98 58.91 2weu h ARG 491 Cb 0.19 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2weu h ARG 491 CO 0.01 0.90 0.30 0.93 -1.51 0.00 0.00 179.97 180.60 2weu h GLU 492 N 0.79 0.59 -0.58 0.20 5.08 -0.51 -0.87 114.58 119.28 2weu h GLU 492 Ca 0.16 -0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.59 2weu h GLU 492 Cb 0.46 -0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.49 2weu h GLU 492 CO 0.02 0.39 0.10 0.78 -1.00 0.00 0.00 179.01 179.30 2weu h GLY 493 N 0.61 0.72 0.99 -3.84 0.00 -0.95 -0.49 103.07 100.10 2weu h GLY 493 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2weu h GLY 493 CO -0.04 -0.12 0.11 -0.55 0.00 0.00 0.00 176.54 175.93 2weu h ASP 494 N 0.22 0.20 -0.24 0.19 3.32 -0.61 -1.74 116.42 117.77 2weu h ASP 494 Ca 0.30 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 2weu h ASP 494 Cb 0.46 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2weu h ASP 494 CO -0.41 0.16 0.14 -0.33 -1.72 0.00 0.00 179.24 177.08 2weu h GLU 495 N 0.22 0.33 -0.75 3.56 5.08 -0.83 -2.74 114.58 119.44 2weu h GLU 495 Ca 0.06 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2weu h GLU 495 Cb -0.00 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2weu h GLU 495 CO -0.01 0.28 0.33 -0.07 -1.00 0.00 0.00 179.01 178.54 2weu h LEU 496 N 0.28 1.00 -0.76 1.33 3.38 -0.95 -1.17 115.31 118.41 2weu h LEU 496 Ca 0.08 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 2weu h LEU 496 Cb 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2weu h LEU 496 CO -0.01 0.86 -0.61 0.16 0.09 0.00 0.00 178.44 178.93 2weu h ILE 497 N 1.08 1.42 -0.02 1.22 3.07 -1.24 -0.47 117.51 122.56 2weu h ILE 497 Ca 0.26 -2.10 -0.17 0.00 1.55 0.00 0.00 64.86 64.39 2weu h ILE 497 Cb 0.15 2.14 -0.01 0.00 -0.27 0.00 0.00 36.82 38.83 2weu h ILE 497 CO -0.03 0.60 -0.75 0.00 -1.05 0.00 0.00 178.15 176.92 2weu h ALA 498 N 1.39 0.69 0.06 0.16 0.00 -1.23 -3.36 119.26 116.96 2weu h ALA 498 Ca -0.01 -0.64 -0.32 0.00 0.00 0.00 0.00 54.91 53.94 2weu h ALA 498 Cb 1.09 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2weu h ALA 498 CO 0.08 0.84 -1.80 0.00 0.00 0.00 0.00 179.25 178.37 2weu h ALA 499 N 1.10 0.60 -2.17 0.00 0.00 -0.95 -3.48 119.26 114.37 2weu h ALA 499 Ca -0.02 -1.40 -0.46 0.00 0.00 0.00 0.00 54.91 53.02 2weu h ALA 499 Cb 1.32 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 2weu h ALA 499 CO 0.11 1.44 0.24 -0.51 0.00 0.00 0.00 179.25 180.53 2weu s LEU 500 N -6.54 4.00 0.93 0.00 1.43 -0.21 -5.00 118.68 113.29 2weu s LEU 500 Ca -0.12 1.52 -0.14 0.00 -1.03 0.00 0.00 54.13 54.37 2weu s LEU 500 Cb 0.07 -4.34 0.15 0.00 0.03 0.00 0.00 46.19 42.10 2weu s LEU 500 CO 0.81 -0.29 1.18 -2.16 0.23 0.00 0.00 176.35 176.12 2weu s PRO 501 N -3.08 1.00 0.75 1.29 0.04 -1.26 -4.90 135.00 128.83 2weu s PRO 501 Ca 0.59 0.07 -0.11 0.00 0.04 0.00 0.00 61.00 61.58 2weu s PRO 501 Cb -0.10 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.64 2weu s PRO 501 CO 0.15 -2.25 1.08 -1.54 0.04 0.00 0.00 177.00 174.48 2weu s SER 502 N -4.32 4.88 0.15 6.66 1.04 -1.26 -1.37 113.70 119.48 2weu s SER 502 Ca 0.66 1.40 -0.21 0.00 0.48 0.00 0.00 55.95 58.28 2weu s SER 502 Cb -0.11 -2.19 0.03 0.00 0.10 0.00 0.00 66.02 63.85 2weu s SER 502 CO 0.52 -1.73 1.66 0.00 0.98 0.00 0.00 173.24 174.67 2weu h TYR 504 N -0.14 0.70 -0.31 0.00 3.20 -1.84 -2.23 116.97 116.35 2weu h TYR 504 Ca 0.14 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.00 2weu h TYR 504 Cb 0.35 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 2weu h TYR 504 CO -0.33 0.54 0.17 0.93 -1.64 0.00 0.00 178.16 177.83 2weu h GLU 505 N 0.67 0.34 -0.56 1.82 5.08 -1.84 0.28 114.58 120.36 2weu h GLU 505 Ca 0.17 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2weu h GLU 505 Cb 0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2weu h GLU 505 CO -0.03 0.23 0.20 -0.92 -1.00 0.00 0.00 179.01 177.49 2weu h TYR 506 N 0.35 0.88 -0.48 4.33 3.20 -1.09 -1.52 116.97 122.64 2weu h TYR 506 Ca 0.13 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 2weu h TYR 506 Cb 0.02 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 2weu h TYR 506 CO -0.09 0.73 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.04 2weu h LEU 507 N 0.77 0.87 -0.92 2.82 3.38 -1.03 -1.94 115.31 119.26 2weu h LEU 507 Ca 0.18 -0.34 0.16 0.00 0.09 0.00 0.00 57.88 57.97 2weu h LEU 507 Cb 0.25 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 40.66 2weu h LEU 507 CO -0.01 1.00 0.52 0.00 0.09 0.00 0.00 178.44 180.04 2weu h ALA 508 N 0.90 1.44 0.00 1.53 0.00 -0.22 -2.12 119.26 120.79 2weu h ALA 508 Ca 0.13 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2weu h ALA 508 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2weu h ALA 508 CO 0.04 -0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 2weu n SER 509 N -4.80 0.52 -0.51 0.00 3.41 -0.59 -2.67 113.62 108.98 2weu n SER 509 Ca 0.19 0.62 0.06 0.00 -0.26 0.00 0.00 58.87 59.49 2weu n SER 509 Cb 0.47 -0.73 0.05 0.00 -0.26 0.00 0.00 64.21 63.74 2weu n SER 509 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2weu n ILE 510 N -2.07 0.01 0.42 -1.33 -5.35 -0.82 -5.10 119.36 105.13 2weu n ILE 510 Ca 0.03 -0.51 0.03 0.00 -0.27 0.00 0.00 62.75 62.03 2weu n ILE 510 Cb 0.24 1.26 0.20 0.00 -1.74 0.00 0.00 39.64 39.59 2weu n ILE 510 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79