#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 3.45 -0.05 2.02 -4.36 -1.26 -4.56 121.20 116.44 2weu s ILE 2 Ca 0.00 0.47 0.02 0.00 -0.26 0.00 0.00 60.65 60.88 2weu s ILE 2 Cb 0.00 -3.33 -0.05 0.00 1.25 0.00 0.00 42.46 40.33 2weu s ILE 2 CO 0.00 -0.61 -0.01 -1.14 0.24 0.00 0.00 174.94 173.41 2weu n ARG 3 N -3.18 1.92 -4.08 0.37 0.63 -1.26 -4.99 116.66 106.07 2weu n ARG 3 Ca 0.07 0.01 -0.14 0.00 -0.92 0.00 0.00 57.85 56.87 2weu n ARG 3 Cb 0.56 -1.11 -0.14 0.00 0.45 0.00 0.00 32.46 32.23 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 -3.96 0.52 -0.05 6.15 1.04 -1.26 -0.76 113.70 115.38 2weu s SER 4 Ca -0.04 -0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.24 2weu s SER 4 Cb 0.02 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2weu s SER 4 CO 0.15 -0.01 -0.15 -0.69 0.98 0.00 0.00 173.24 173.52 2weu s VAL 5 N -0.39 1.27 -0.19 5.02 1.01 0.92 -2.13 120.40 125.92 2weu s VAL 5 Ca -0.01 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 2weu s VAL 5 Cb -0.03 -1.12 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 2weu s VAL 5 CO -0.00 0.38 -0.10 -0.69 0.00 0.00 0.00 175.10 174.69 2weu s VAL 6 N 0.26 3.01 -0.18 2.92 1.01 -0.32 -1.46 120.40 125.63 2weu s VAL 6 Ca -0.08 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 2weu s VAL 6 Cb -0.13 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2weu s VAL 6 CO 0.03 0.47 0.03 -0.63 0.00 0.00 0.00 175.10 175.00 2weu s ILE 7 N 1.15 4.35 -0.33 2.22 1.01 0.55 -0.33 121.20 129.83 2weu s ILE 7 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 2weu s ILE 7 Cb -0.14 -2.96 0.05 0.00 0.01 0.00 0.00 42.46 39.42 2weu s ILE 7 CO -0.03 0.45 0.08 -0.69 0.00 0.00 0.00 174.94 174.75 2weu s VAL 8 N 0.60 3.45 0.00 2.92 1.01 -0.17 -0.48 120.40 127.73 2weu s VAL 8 Ca 0.01 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.68 2weu s VAL 8 Cb -0.14 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2weu s VAL 8 CO 0.02 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.53 2weu n GLY 9 N 4.72 2.81 0.00 4.51 0.00 0.19 -0.71 105.19 116.72 2weu n GLY 9 Ca -0.12 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 0.92 1.11 7.00 -0.02 0.00 -1.26 -4.21 105.19 108.72 2weu n GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.02 0.07 -0.02 0.00 -1.26 -1.25 105.19 107.74 2weu n GLY 11 Ca 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 1.09 -0.35 2.61 2.02 -1.93 -1.62 112.91 114.74 2weu h THR 12 Ca 0.00 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 2weu h THR 12 Cb 0.00 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2weu h THR 12 CO 0.00 0.08 0.17 0.00 0.37 0.00 0.00 175.52 176.14 2weu h ALA 13 N 0.95 0.45 -0.18 6.16 0.00 -1.91 -0.30 119.26 124.43 2weu h ALA 13 Ca 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2weu h ALA 13 Cb 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2weu h ALA 13 CO -0.00 0.01 0.04 0.78 0.00 0.00 0.00 179.25 180.08 2weu h GLY 14 N 0.42 0.31 2.00 0.00 0.00 -1.07 -2.32 103.07 102.41 2weu h GLY 14 Ca 0.12 -0.20 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 2weu h GLY 14 CO -0.01 0.18 -0.78 1.49 0.00 0.00 0.00 176.54 177.42 2weu h TRP 15 N 0.10 0.00 -0.81 5.60 4.06 -1.25 -0.70 115.95 122.95 2weu h TRP 15 Ca 0.06 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.97 2weu h TRP 15 Cb 0.27 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.40 2weu h TRP 15 CO 0.01 0.78 0.35 0.52 -3.56 0.00 0.00 178.44 176.54 2weu h MET 16 N 0.00 1.20 -0.34 0.49 2.86 -1.07 -1.18 114.93 116.89 2weu h MET 16 Ca -0.01 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.34 2weu h MET 16 Cb 1.54 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.99 2weu h MET 16 CO 0.10 0.95 -0.15 1.15 1.06 0.00 0.00 176.91 180.02 2weu h THR 17 N 1.18 1.29 -0.21 2.22 2.02 -1.16 -1.43 112.91 116.81 2weu h THR 17 Ca 0.27 -1.25 -0.05 0.00 0.77 0.00 0.00 66.41 66.15 2weu h THR 17 Cb 0.18 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2weu h THR 17 CO -0.03 0.41 -0.07 0.00 0.37 0.00 0.00 175.52 176.20 2weu h ALA 18 N 0.78 0.29 -0.49 6.16 0.00 -1.05 -1.43 119.26 123.52 2weu h ALA 18 Ca 0.08 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2weu h ALA 18 Cb 0.68 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2weu h ALA 18 CO 0.05 0.09 0.08 0.66 0.00 0.00 0.00 179.25 180.13 2weu h SER 19 N 0.13 0.78 -0.53 0.00 4.64 -1.21 -2.54 113.55 114.82 2weu h SER 19 Ca 0.05 -0.26 -0.03 0.00 -0.47 0.00 0.00 61.79 61.08 2weu h SER 19 Cb 0.53 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2weu h SER 19 CO 0.02 0.84 0.20 0.22 -0.87 0.00 0.00 176.83 177.24 2weu h TYR 20 N 0.69 0.82 -0.78 4.77 3.20 -1.20 -0.57 116.97 123.90 2weu h TYR 20 Ca 0.15 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 2weu h TYR 20 Cb 0.39 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 2weu h TYR 20 CO 0.03 0.69 0.38 -0.07 -1.64 0.00 0.00 178.16 177.55 2weu h LEU 21 N 0.72 1.01 -0.55 2.82 3.38 -1.11 0.43 115.31 122.01 2weu h LEU 21 Ca 0.17 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 2weu h LEU 21 Cb 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2weu h LEU 21 CO -0.01 0.85 -0.44 0.11 0.09 0.00 0.00 178.44 179.04 2weu h LYS 22 N 1.09 0.68 -0.58 1.13 1.79 -1.30 -0.80 116.57 118.58 2weu h LYS 22 Ca 0.27 -0.37 -0.07 0.00 -2.18 0.00 0.00 60.65 58.30 2weu h LYS 22 Cb 0.10 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 2weu h LYS 22 CO -0.04 0.98 0.09 0.00 -1.08 0.00 0.00 179.45 179.40 2weu h ALA 23 N 0.97 1.07 -0.07 3.86 0.00 -0.58 0.26 119.26 124.77 2weu h ALA 23 Ca 0.04 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2weu h ALA 23 Cb 0.98 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2weu h ALA 23 CO 0.09 0.60 -0.29 0.00 0.00 0.00 0.00 179.25 179.65 2weu h ALA 24 N 1.22 0.13 0.00 0.00 0.00 -0.75 -3.39 119.26 116.46 2weu h ALA 24 Ca 0.18 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2weu h ALA 24 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2weu h ALA 24 CO 0.01 0.17 -0.30 1.19 0.00 0.00 0.00 179.25 180.32 2weu n PHE 25 N -4.45 0.00 0.00 0.00 3.72 -0.32 -5.08 117.46 111.33 2weu n PHE 25 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2weu n PHE 25 Cb 0.48 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 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 -1.15 0.00 -0.68 4.37 2.03 0.93 -1.01 116.55 121.03 2weu n ASP 26 Ca 0.01 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.35 2weu n ASP 26 Cb 0.09 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.61 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 2.92 1.86 -1.24 1.67 5.68 -1.26 -3.47 116.55 122.70 2weu n ASP 27 Ca 0.00 -2.14 0.09 0.00 -0.50 0.00 0.00 54.79 52.24 2weu n ASP 27 Cb 0.00 -0.34 0.29 0.00 -1.14 0.00 0.00 41.12 39.92 2weu n ASP 27 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2weu n ARG 28 N 0.21 2.79 -3.79 0.11 1.74 -0.18 -4.85 116.66 112.68 2weu n ARG 28 Ca 0.09 -2.30 -0.13 0.00 -0.77 0.00 0.00 57.85 54.74 2weu n ARG 28 Cb 0.36 -1.61 -0.11 0.00 -1.02 0.00 0.00 32.46 30.08 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 -1.43 0.01 -0.14 0.55 1.10 -1.23 -4.93 121.20 115.13 2weu s ILE 29 Ca 0.42 -0.08 -0.06 0.00 -0.51 0.00 0.00 60.65 60.43 2weu s ILE 29 Cb 0.24 -0.38 -0.04 0.00 0.15 0.00 0.00 42.46 42.43 2weu s ILE 29 CO 0.25 -0.04 0.06 -1.81 -2.11 0.00 0.00 174.94 171.29 2weu s ASP 30 N -0.06 5.64 -0.04 4.50 1.01 0.06 -4.91 116.67 122.87 2weu s ASP 30 Ca -0.02 0.17 0.01 0.00 0.71 0.00 0.00 52.55 53.42 2weu s ASP 30 Cb -0.02 -1.84 0.02 0.00 1.01 0.00 0.00 42.92 42.09 2weu s ASP 30 CO 0.01 0.28 -0.04 -0.69 0.21 0.00 0.00 175.17 174.93 2weu s VAL 31 N -0.27 0.51 -0.06 -1.27 1.01 -1.26 -0.05 120.40 119.00 2weu s VAL 31 Ca 0.08 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.00 2weu s VAL 31 Cb -0.12 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 2weu s VAL 31 CO 0.02 0.21 -0.22 -0.89 0.00 0.00 0.00 175.10 174.22 2weu s THR 32 N 0.87 1.83 -0.17 3.92 2.01 -0.54 -0.98 115.64 122.58 2weu s THR 32 Ca -0.11 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 60.96 2weu s THR 32 Cb -0.14 -1.57 0.02 0.00 0.01 0.00 0.00 72.50 70.82 2weu s THR 32 CO 0.00 0.51 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.03 2weu s LEU 33 N 0.00 2.17 -0.27 4.42 0.20 0.18 -0.33 118.68 125.06 2weu s LEU 33 Ca -0.06 -0.62 -0.08 0.00 0.69 0.00 0.00 54.13 54.05 2weu s LEU 33 Cb -0.14 -1.49 -0.02 0.00 -0.43 0.00 0.00 46.19 44.11 2weu s LEU 33 CO 0.04 0.02 0.10 -0.69 -0.29 0.00 0.00 176.35 175.53 2weu s VAL 34 N 1.17 4.42 0.04 1.68 1.01 0.37 -0.96 120.40 128.13 2weu s VAL 34 Ca 0.02 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2weu s VAL 34 Cb -0.14 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 2weu s VAL 34 CO -0.10 0.25 -0.06 -1.83 0.00 0.00 0.00 175.10 173.36 2weu s GLU 35 N 1.62 0.49 0.42 2.72 -1.05 0.10 -0.64 118.70 122.36 2weu s GLU 35 Ca 0.06 -0.76 -0.14 0.00 -0.15 0.00 0.00 54.97 53.98 2weu s GLU 35 Cb -0.16 -0.17 -0.08 0.00 -0.44 0.00 0.00 34.13 33.28 2weu s GLU 35 CO 0.05 0.02 0.84 0.45 0.95 0.00 0.00 175.26 177.56 2weu s SER 36 N -1.66 6.64 0.46 0.83 0.15 -1.18 -0.69 113.70 118.26 2weu s SER 36 Ca -0.10 1.33 0.26 0.00 0.70 0.00 0.00 55.95 58.14 2weu s SER 36 Cb -0.09 -2.40 0.61 0.00 -1.71 0.00 0.00 66.02 62.43 2weu s SER 36 CO -0.00 -0.40 1.71 1.23 1.20 0.00 0.00 173.24 176.97 2weu h GLY 37 N 1.45 0.00 -5.03 9.45 0.00 -1.92 -3.41 103.07 103.61 2weu h GLY 37 Ca -0.47 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.19 2weu h GLY 37 CO 0.63 0.00 3.65 0.70 0.00 0.00 0.00 176.54 181.52 2weu n ASN 38 N -3.11 8.65 -0.43 0.19 4.13 -1.26 -5.18 115.26 118.25 2weu n ASN 38 Ca 0.03 -2.62 0.00 0.00 1.68 0.00 0.00 54.58 53.67 2weu n ASN 38 Cb 0.48 -1.54 0.00 0.00 -1.54 0.00 0.00 39.78 37.18 2weu n ASN 38 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 2weu n VAL 39 N 3.39 0.00 0.00 2.41 3.14 -1.26 -5.23 118.33 120.77 2weu n VAL 39 Ca 0.77 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 62.15 2weu n VAL 39 Cb 0.25 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.03 2weu n VAL 39 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2weu n VAL 44 N 0.00 0.00 -2.73 1.55 3.14 -1.26 -5.17 118.33 113.86 2weu n VAL 44 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 2weu n VAL 44 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 2weu n VAL 44 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2weu s GLY 45 N 0.00 2.42 0.04 7.55 0.00 -1.26 -3.31 107.32 112.77 2weu s GLY 45 Ca 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 44.72 45.17 2weu s GLY 45 CO 0.00 0.76 -0.02 1.85 0.00 0.00 0.00 173.10 175.69 2weu s GLU 46 N -3.20 0.54 0.40 2.90 2.12 -0.49 -4.93 118.70 116.04 2weu s GLU 46 Ca 0.64 -1.04 0.08 0.00 0.36 0.00 0.00 54.97 55.00 2weu s GLU 46 Cb -0.11 0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.43 2weu s GLU 46 CO 0.15 -0.10 0.27 0.00 -0.54 0.00 0.00 175.26 175.04 2weu s ALA 47 N -3.26 3.80 0.30 6.30 0.00 -1.26 -1.32 121.76 126.31 2weu s ALA 47 Ca 0.01 -1.93 0.03 0.00 0.00 0.00 0.00 51.96 50.07 2weu s ALA 47 Cb 0.03 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 2weu s ALA 47 CO -0.08 -0.14 0.15 0.95 0.00 0.00 0.00 175.76 176.64 2weu s THR 48 N -2.49 0.37 0.51 0.00 -4.23 -0.80 -4.70 115.64 104.29 2weu s THR 48 Ca 0.44 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.84 2weu s THR 48 Cb -0.01 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.26 2weu s THR 48 CO 0.25 0.00 0.90 -0.36 -0.54 0.00 0.00 174.62 174.87 2weu s PHE 49 N -3.60 3.54 0.48 3.99 0.40 -1.26 -4.49 117.98 117.04 2weu s PHE 49 Ca 0.35 1.15 0.19 0.00 -0.60 0.00 0.00 56.93 58.03 2weu s PHE 49 Cb 0.05 -2.57 1.21 0.00 0.51 0.00 0.00 43.02 42.22 2weu s PHE 49 CO 0.17 -0.39 2.00 0.66 0.70 0.00 0.00 175.22 178.36 2weu h SER 50 N 0.44 0.18 0.51 1.36 4.64 -1.89 -2.61 113.55 116.18 2weu h SER 50 Ca -0.46 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2weu h SER 50 Cb 1.19 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2weu h SER 50 CO 0.62 0.11 0.00 0.35 -0.87 0.00 0.00 176.83 177.04 2weu n THR 51 N -4.44 0.74 0.27 2.95 -2.24 -1.26 -2.55 114.28 107.74 2weu n THR 51 Ca 0.09 0.18 0.17 0.00 -2.27 0.00 0.00 64.05 62.22 2weu n THR 51 Cb 0.45 -0.89 0.92 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.40 -0.93 2.28 3.04 -1.86 -1.99 116.25 117.19 2weu h VAL 52 Ca 0.00 0.00 0.20 0.00 -1.01 0.00 0.00 66.70 65.89 2weu h VAL 52 Cb 0.25 0.92 -0.07 0.00 -2.01 0.00 0.00 31.29 30.38 2weu h VAL 52 CO 0.00 0.00 0.61 0.08 -1.01 0.00 0.00 177.57 177.25 2weu h ARG 53 N 0.00 0.45 -0.86 4.17 0.11 -1.73 -0.32 114.38 116.19 2weu h ARG 53 Ca 0.03 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.08 2weu h ARG 53 Cb 0.23 -0.10 -0.04 0.00 1.11 0.00 0.00 29.97 31.17 2weu h ARG 53 CO -0.00 0.30 0.51 0.45 0.10 0.00 0.00 179.97 181.33 2weu h HIS 54 N 0.46 1.14 0.39 4.08 3.86 -1.63 0.12 115.15 123.57 2weu h HIS 54 Ca 0.49 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.68 2weu h HIS 54 Cb 1.15 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 29.25 2weu h HIS 54 CO -0.00 0.76 -0.19 0.35 0.86 0.00 0.00 177.93 179.71 2weu h PHE 55 N 1.19 -0.49 -0.81 2.45 3.57 -1.24 -0.65 116.94 120.98 2weu h PHE 55 Ca 0.31 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 2weu h PHE 55 Cb -0.04 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 2weu h PHE 55 CO 0.01 -0.18 0.45 0.74 -2.23 0.00 0.00 178.31 177.10 2weu h PHE 56 N -0.78 1.09 -0.08 0.41 0.04 -1.25 -1.34 116.94 115.03 2weu h PHE 56 Ca -0.05 -0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.59 2weu h PHE 56 Cb 0.53 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 2weu h PHE 56 CO 0.01 0.74 -0.44 -0.44 -0.60 0.00 0.00 178.31 177.58 2weu h ASP 57 N 1.12 0.19 -0.63 2.17 3.32 -0.74 -1.61 116.42 120.24 2weu h ASP 57 Ca 0.29 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 2weu h ASP 57 Cb 0.01 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2weu h ASP 57 CO -0.05 0.60 0.11 0.22 -1.72 0.00 0.00 179.24 178.41 2weu h TYR 58 N 0.15 1.10 0.00 4.55 3.20 -0.04 -2.09 116.97 123.83 2weu h TYR 58 Ca 0.01 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.73 2weu h TYR 58 Cb 0.84 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.80 2weu h TYR 58 CO 0.01 0.93 0.00 -0.07 -1.64 0.00 0.00 178.16 177.39 2weu h LEU 59 N 0.95 0.00 0.00 2.82 4.07 -1.02 -3.44 115.31 118.68 2weu h LEU 59 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.15 2weu h LEU 59 Cb 0.42 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.16 2weu h LEU 59 CO 0.01 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.98 2weu n GLY 60 N 0.20 0.83 3.85 0.83 0.00 -0.78 -5.05 105.19 105.06 2weu n GLY 60 Ca 0.02 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 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 4.21 -0.06 0.99 1.43 -0.67 -5.02 118.68 119.57 2weu s LEU 61 Ca 0.00 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 2weu s LEU 61 Cb 0.00 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 2weu s LEU 61 CO 0.00 0.34 -0.06 -0.62 0.23 0.00 0.00 176.35 176.24 2weu s ASP 62 N -1.39 4.68 0.54 2.29 2.15 -1.26 -4.42 116.67 119.26 2weu s ASP 62 Ca 0.20 -0.03 0.20 0.00 0.43 0.00 0.00 52.55 53.35 2weu s ASP 62 Cb -0.12 -1.17 1.44 0.00 -0.30 0.00 0.00 42.92 42.77 2weu s ASP 62 CO 0.10 0.35 2.18 1.05 -0.17 0.00 0.00 175.17 178.67 2weu h GLU 63 N 5.11 0.00 0.00 4.34 4.11 -1.99 0.86 114.58 127.01 2weu h GLU 63 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 2weu h GLU 63 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2weu h GLU 63 CO 0.53 0.00 -0.05 0.00 0.07 0.00 0.00 179.01 179.56 2weu h ARG 64 N 0.00 0.00 -0.02 1.06 3.08 -1.96 -0.57 114.38 115.97 2weu h ARG 64 Ca 0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 2weu h ARG 64 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2weu h ARG 64 CO -0.00 0.05 -0.17 0.93 -1.07 0.00 0.00 179.97 179.70 2weu h GLU 65 N 0.00 0.16 0.00 0.04 5.08 -1.22 -3.43 114.58 115.21 2weu h GLU 65 Ca -0.00 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.05 2weu h GLU 65 Cb 0.25 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2weu h GLU 65 CO 0.01 0.82 -1.66 -2.67 -1.00 0.00 0.00 179.01 174.51 2weu n TRP 66 N -4.58 0.00 -0.09 4.33 4.27 -1.09 -4.62 117.44 115.66 2weu n TRP 66 Ca -0.09 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.44 2weu n TRP 66 Cb 0.43 -0.47 -0.00 0.00 -1.36 0.00 0.00 31.31 29.91 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 0.22 -0.77 5.67 5.85 -1.37 -1.55 115.31 123.36 2weu h LEU 67 Ca -0.26 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 2weu h LEU 67 Cb 1.56 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.53 2weu h LEU 67 CO 0.01 0.17 0.47 -0.65 -0.34 0.00 0.00 178.44 178.10 2weu h PRO 68 N 0.32 1.03 0.00 5.25 0.11 -1.85 0.11 132.00 136.97 2weu h PRO 68 Ca 0.13 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 2weu h PRO 68 Cb 0.05 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 30.94 2weu h PRO 68 CO -0.10 0.72 -0.00 -0.09 -0.21 0.00 0.00 178.00 178.32 2weu h ARG 69 N 1.04 0.00 -0.66 1.05 2.43 -1.66 -2.38 114.38 114.21 2weu h ARG 69 Ca 0.28 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.31 2weu h ARG 69 Cb -0.06 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.41 2weu h ARG 69 CO -0.05 0.00 0.16 0.00 -1.51 0.00 0.00 179.97 178.57 2weu n ALA 71 N 0.05 -0.68 -1.57 0.00 0.00 -0.89 -1.33 120.51 116.09 2weu n ALA 71 Ca 0.36 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.66 2weu n ALA 71 Cb 1.30 -2.41 0.04 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.14 1.92 0.27 0.00 0.00 -0.07 -0.31 107.32 106.99 2weu s GLY 72 Ca 0.04 0.28 0.02 0.00 0.00 0.00 0.00 44.72 45.07 2weu s GLY 72 CO 0.05 0.60 0.16 -0.32 0.00 0.00 0.00 173.10 173.60 2weu s GLY 73 N -3.19 1.89 -0.09 0.20 0.00 -0.10 -3.69 107.32 102.34 2weu s GLY 73 Ca 0.62 -1.80 -0.05 0.00 0.00 0.00 0.00 44.72 43.48 2weu s GLY 73 CO 0.46 -1.51 0.13 -0.19 0.00 0.00 0.00 173.10 171.98 2weu s TYR 74 N -3.76 3.52 -0.20 1.90 1.51 -1.26 -1.37 117.35 117.70 2weu s TYR 74 Ca 0.38 0.45 0.01 0.00 -1.01 0.00 0.00 57.07 56.90 2weu s TYR 74 Cb 0.05 -1.89 0.03 0.00 -0.11 0.00 0.00 41.96 40.04 2weu s TYR 74 CO 0.17 0.68 -0.17 0.21 -1.11 0.00 0.00 175.55 175.33 2weu s LYS 75 N -1.20 2.83 0.01 -0.62 2.20 0.00 -3.40 119.74 119.57 2weu s LYS 75 Ca 0.17 -0.94 0.23 0.00 -0.36 0.00 0.00 55.97 55.07 2weu s LYS 75 Cb -0.12 -2.66 0.18 0.00 -1.51 0.00 0.00 37.83 33.72 2weu s LYS 75 CO 0.07 -0.29 1.17 1.28 -0.36 0.00 0.00 175.35 177.22 2weu n LEU 76 N 4.58 0.67 0.00 5.43 4.77 0.14 -0.41 117.00 132.18 2weu n LEU 76 Ca -0.19 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2weu n LEU 76 Cb 0.48 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2weu n LEU 76 CO 0.25 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2weu n GLY 77 N 1.47 -0.56 3.21 -0.72 0.00 -1.26 -1.83 105.19 105.49 2weu n GLY 77 Ca 0.04 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 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 2.30 -0.37 -0.61 1.01 0.09 -2.01 121.20 118.61 2weu s ILE 78 Ca 0.00 -0.90 -0.27 0.00 0.00 0.00 0.00 60.65 59.48 2weu s ILE 78 Cb 0.00 -1.94 0.02 0.00 0.01 0.00 0.00 42.46 40.55 2weu s ILE 78 CO 0.00 0.54 1.00 -0.60 0.00 0.00 0.00 174.94 175.87 2weu s ARG 79 N 0.80 3.88 -0.28 2.79 3.52 0.43 -0.70 118.95 129.39 2weu s ARG 79 Ca -0.07 0.71 -0.17 0.00 -0.13 0.00 0.00 55.73 56.07 2weu s ARG 79 Cb -0.16 -3.80 -0.03 0.00 -1.56 0.00 0.00 34.95 29.41 2weu s ARG 79 CO -0.01 -1.00 0.48 -0.06 -0.81 0.00 0.00 175.30 173.90 2weu s PHE 80 N 3.67 3.25 0.01 5.12 0.08 0.01 -0.64 117.98 129.47 2weu s PHE 80 Ca 0.41 0.51 0.06 0.00 0.12 0.00 0.00 56.93 58.03 2weu s PHE 80 Cb -0.11 -2.72 -0.02 0.00 -0.57 0.00 0.00 43.02 39.60 2weu s PHE 80 CO 0.20 -0.31 -0.17 -1.83 -0.10 0.00 0.00 175.22 173.00 2weu s GLU 81 N 2.27 1.30 -1.10 0.44 -1.05 -0.81 -1.97 118.70 117.79 2weu s GLU 81 Ca 0.19 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 54.30 2weu s GLU 81 Cb -0.16 -1.30 0.00 0.00 -0.44 0.00 0.00 34.13 32.23 2weu s GLU 81 CO 0.10 0.35 0.00 0.09 0.95 0.00 0.00 175.26 176.75 2weu n ASN 82 N 2.33 -4.44 0.15 0.83 3.02 -0.45 -1.09 115.26 115.61 2weu n ASN 82 Ca -0.16 0.26 0.03 0.00 -0.03 0.00 0.00 54.58 54.68 2weu n ASN 82 Cb 0.54 -2.85 0.13 0.00 -0.61 0.00 0.00 39.78 36.99 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 -1.88 -3.40 115.95 117.83 2weu h TRP 83 Ca -0.21 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.74 2weu h TRP 83 Cb 0.74 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.90 2weu h TRP 83 CO 0.33 0.50 0.00 0.43 -3.56 0.00 0.00 178.44 176.14 2weu n SER 84 N -3.35 0.00 -4.73 -3.49 7.64 -1.26 -2.56 113.62 105.87 2weu n SER 84 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.47 2weu n SER 84 Cb 0.67 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.87 4.26 0.12 1.43 0.41 -1.26 -4.25 118.70 120.28 2weu s GLU 85 Ca 0.00 2.30 -0.33 0.00 -0.41 0.00 0.00 54.97 56.53 2weu s GLU 85 Cb 0.00 -3.14 -0.12 0.00 -1.78 0.00 0.00 34.13 29.09 2weu s GLU 85 CO 0.00 -0.48 1.72 -2.30 -0.49 0.00 0.00 175.26 173.71 2weu n PRO 86 N 3.03 2.46 -0.98 0.39 -0.02 -1.26 -1.71 135.00 136.91 2weu n PRO 86 Ca 0.10 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 2weu n PRO 86 Cb 0.40 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 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 3.89 0.85 3.93 -1.23 0.00 -1.26 -5.01 105.19 106.35 2weu n GLY 87 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.06 3.53 0.19 1.61 0.41 -0.70 -4.87 118.70 118.81 2weu s GLU 88 Ca 0.00 -0.31 -0.12 0.00 -0.41 0.00 0.00 54.97 54.13 2weu s GLU 88 Cb 0.00 -2.80 0.00 0.00 -1.78 0.00 0.00 34.13 29.55 2weu s GLU 88 CO 0.00 0.36 0.38 1.52 -0.49 0.00 0.00 175.26 177.03 2weu s TYR 89 N -1.94 0.23 0.25 1.61 -0.85 -1.26 -1.34 117.35 114.06 2weu s TYR 89 Ca 0.39 -0.59 -0.15 0.00 -0.52 0.00 0.00 57.07 56.20 2weu s TYR 89 Cb -0.11 0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.35 2weu s TYR 89 CO 0.30 -0.82 0.55 -0.59 -1.52 0.00 0.00 175.55 173.46 2weu s PHE 90 N -3.95 0.17 -0.00 -3.49 -0.12 -0.83 -4.86 117.98 104.90 2weu s PHE 90 Ca 0.15 -0.56 0.04 0.00 -0.05 0.00 0.00 56.93 56.51 2weu s PHE 90 Cb 0.01 0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 2weu s PHE 90 CO 0.00 -1.05 -0.09 0.71 -0.05 0.00 0.00 175.22 174.74 2weu s TYR 91 N -3.98 2.82 -0.39 3.49 2.02 -1.26 -0.81 117.35 119.24 2weu s TYR 91 Ca 0.18 -0.08 -0.10 0.00 -0.37 0.00 0.00 57.07 56.70 2weu s TYR 91 Cb -0.02 -1.60 0.04 0.00 -0.40 0.00 0.00 41.96 39.98 2weu s TYR 91 CO 0.07 0.33 0.22 -1.58 -1.57 0.00 0.00 175.55 173.02 2weu s HIS 92 N -0.93 3.27 0.33 2.71 5.65 0.12 -4.82 115.29 121.61 2weu s HIS 92 Ca 0.15 -1.14 0.07 0.00 0.25 0.00 0.00 55.06 54.39 2weu s HIS 92 Cb -0.11 -2.58 -0.01 0.00 -1.18 0.00 0.00 32.58 28.70 2weu s HIS 92 CO 0.06 -0.71 0.42 -1.25 -0.65 0.00 0.00 174.74 172.60 2weu s PRO 93 N 1.51 3.01 -1.38 2.88 0.04 -1.26 -0.73 135.00 139.07 2weu s PRO 93 Ca 0.02 -1.09 -0.11 0.00 0.04 0.00 0.00 61.00 59.86 2weu s PRO 93 Cb -0.20 -2.72 0.09 0.00 0.04 0.00 0.00 34.50 31.70 2weu s PRO 93 CO 0.05 0.08 2.16 1.19 0.04 0.00 0.00 177.00 180.52 2weu n PHE 94 N -1.56 3.07 -3.65 0.56 3.72 -0.76 -4.86 117.46 113.98 2weu n PHE 94 Ca -0.01 -2.89 -0.05 0.00 -0.05 0.00 0.00 57.45 54.45 2weu n PHE 94 Cb 0.59 -2.21 -0.06 0.00 -0.94 0.00 0.00 39.48 36.85 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 1.44 0.65 0.58 -1.08 2.12 -1.26 -4.26 118.70 116.89 2weu s GLU 95 Ca 0.47 1.30 -0.14 0.00 0.36 0.00 0.00 54.97 56.95 2weu s GLU 95 Cb 0.13 0.40 -0.05 0.00 0.26 0.00 0.00 34.13 34.86 2weu s GLU 95 CO -0.05 -0.17 1.01 1.03 -0.54 0.00 0.00 175.26 176.55 2weu s ARG 96 N 2.09 3.70 0.16 4.30 0.52 -1.26 -5.01 118.95 123.45 2weu s ARG 96 Ca -0.08 0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 55.71 2weu s ARG 96 Cb -0.08 -2.10 -0.07 0.00 0.52 0.00 0.00 34.95 33.22 2weu s ARG 96 CO -0.19 -0.48 1.11 -0.51 0.02 0.00 0.00 175.30 175.24 2weu s LEU 97 N -4.65 4.47 0.73 2.53 1.43 -1.26 -5.04 118.68 116.88 2weu s LEU 97 Ca 0.58 2.07 -0.12 0.00 -1.03 0.00 0.00 54.13 55.63 2weu s LEU 97 Cb -0.11 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.54 2weu s LEU 97 CO 0.43 -0.25 1.08 -0.13 0.23 0.00 0.00 176.35 177.71 2weu s ARG 98 N -0.16 2.57 -0.13 1.70 0.52 -1.26 -4.79 118.95 117.41 2weu s ARG 98 Ca 0.51 1.15 0.01 0.00 -0.52 0.00 0.00 55.73 56.87 2weu s ARG 98 Cb -0.29 -1.94 0.02 0.00 0.52 0.00 0.00 34.95 33.26 2weu s ARG 98 CO 0.34 -1.40 -0.17 0.08 0.02 0.00 0.00 175.30 174.18 2weu s VAL 99 N -2.83 1.68 -0.15 3.52 1.01 -1.26 -0.83 120.40 121.53 2weu s VAL 99 Ca 0.61 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2weu s VAL 99 Cb -0.17 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.70 2weu s VAL 99 CO 0.53 0.48 -0.16 -0.69 0.00 0.00 0.00 175.10 175.25 2weu s VAL 100 N 1.13 1.67 -1.53 2.92 1.01 -0.17 -4.76 120.40 120.67 2weu s VAL 100 Ca -0.02 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.12 2weu s VAL 100 Cb -0.14 -1.55 0.08 0.00 0.00 0.00 0.00 36.38 34.78 2weu s VAL 100 CO -0.05 0.48 0.99 0.47 0.00 0.00 0.00 175.10 176.98 2weu n ASP 101 N 4.65 -4.85 0.00 3.32 9.92 -1.26 -1.58 116.55 126.76 2weu n ASP 101 Ca -0.18 -0.77 0.00 0.00 -0.53 0.00 0.00 54.79 53.31 2weu n ASP 101 Cb 0.50 -3.91 0.00 0.00 -0.64 0.00 0.00 41.12 37.07 2weu n ASP 101 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2weu n GLY 102 N -1.70 1.66 3.26 0.44 0.00 -1.26 -5.04 105.19 102.54 2weu n GLY 102 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.07 2.22 0.81 1.61 0.40 -0.61 -5.11 117.98 114.23 2weu s PHE 103 Ca 0.00 -0.55 -0.11 0.00 -0.60 0.00 0.00 56.93 55.66 2weu s PHE 103 Cb 0.00 -1.45 0.08 0.00 0.51 0.00 0.00 43.02 42.16 2weu s PHE 103 CO 0.00 -0.13 1.10 0.54 0.70 0.00 0.00 175.22 177.43 2weu s ASN 104 N -0.32 4.38 0.52 1.36 2.20 -1.26 -1.00 114.94 120.81 2weu s ASN 104 Ca 0.02 1.33 0.25 0.00 -0.94 0.00 0.00 52.86 53.52 2weu s ASN 104 Cb -0.11 -2.06 1.43 0.00 -2.00 0.00 0.00 41.25 38.51 2weu s ASN 104 CO 0.01 -2.05 2.09 0.24 -2.94 0.00 0.00 177.10 174.46 2weu h MET 105 N -1.14 0.00 -0.37 3.55 2.86 -1.29 -2.12 114.93 116.42 2weu h MET 105 Ca -0.47 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.09 2weu h MET 105 Cb 1.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.92 2weu h MET 105 CO 0.59 0.11 -0.07 0.00 1.06 0.00 0.00 176.91 178.59 2weu h ALA 106 N 1.89 0.50 -0.50 6.32 0.00 -1.92 0.25 119.26 125.80 2weu h ALA 106 Ca -0.00 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.65 2weu h ALA 106 Cb 0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2weu h ALA 106 CO 0.01 0.34 0.26 0.93 0.00 0.00 0.00 179.25 180.80 2weu h GLU 107 N 0.49 0.50 -0.71 0.00 4.39 -1.76 -2.15 114.58 115.35 2weu h GLU 107 Ca 0.10 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 2weu h GLU 107 Cb 0.57 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 2weu h GLU 107 CO 0.03 0.33 0.28 -1.49 -1.16 0.00 0.00 179.01 177.00 2weu h TRP 108 N 0.52 1.06 -0.82 4.33 4.06 -1.21 -2.99 115.95 120.90 2weu h TRP 108 Ca 0.22 -0.07 -0.02 0.00 2.06 0.00 0.00 58.89 61.08 2weu h TRP 108 Cb 0.11 -0.32 -0.04 0.00 -1.00 0.00 0.00 29.16 27.91 2weu h TRP 108 CO -0.09 0.81 0.43 2.35 -3.56 0.00 0.00 178.44 178.38 2weu h TRP 109 N 1.02 1.14 -0.39 0.49 7.01 -0.13 0.28 115.95 125.37 2weu h TRP 109 Ca 0.24 -0.04 0.08 0.00 2.11 0.00 0.00 58.89 61.28 2weu h TRP 109 Cb 0.20 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 2weu h TRP 109 CO 0.02 0.80 0.27 -0.07 -2.79 0.00 0.00 178.44 176.67 2weu h LEU 110 N 1.14 0.16 0.12 0.65 3.38 -1.26 -0.21 115.31 119.30 2weu h LEU 110 Ca 0.29 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.89 2weu h LEU 110 Cb 0.05 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2weu h LEU 110 CO -0.04 0.10 -2.00 0.00 0.09 0.00 0.00 178.44 176.59 2weu n ALA 111 N -2.56 0.89 -1.04 1.53 0.00 0.01 -4.59 120.51 114.76 2weu n ALA 111 Ca 0.05 -0.59 0.01 0.00 0.00 0.00 0.00 53.44 52.91 2weu n ALA 111 Cb 0.33 -0.68 0.01 0.00 0.00 0.00 0.00 19.45 19.11 2weu n ALA 111 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2weu n VAL 112 N -3.48 0.28 -2.48 0.00 0.24 0.77 -5.08 118.33 108.58 2weu n VAL 112 Ca -0.32 -0.30 -0.26 0.00 -2.04 0.00 0.00 64.34 61.43 2weu n VAL 112 Cb 1.05 0.74 0.03 0.00 -1.47 0.00 0.00 33.84 34.19 2weu n VAL 112 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2weu s GLY 113 N -0.54 1.62 -0.91 7.63 0.00 -0.09 -4.96 107.32 110.06 2weu s GLY 113 Ca 0.02 -0.81 -0.24 0.00 0.00 0.00 0.00 44.72 43.68 2weu s GLY 113 CO 0.00 -0.54 1.37 -0.35 0.00 0.00 0.00 173.10 173.59 2weu s ASP 114 N -4.32 6.37 -1.14 1.64 -1.08 -1.26 -4.98 116.67 111.91 2weu s ASP 114 Ca 0.54 -1.08 -0.15 0.00 -0.52 0.00 0.00 52.55 51.34 2weu s ASP 114 Cb -0.10 -2.56 -0.07 0.00 -1.46 0.00 0.00 42.92 38.73 2weu s ASP 114 CO 0.44 -1.62 2.20 0.54 0.52 0.00 0.00 175.17 177.24 2weu n ARG 115 N 9.01 2.35 0.00 4.34 5.12 -1.26 -4.73 116.66 131.49 2weu n ARG 115 Ca 0.21 -2.07 0.00 0.00 -1.93 0.00 0.00 57.85 54.06 2weu n ARG 115 Cb 0.50 -2.94 0.00 0.00 -1.16 0.00 0.00 32.46 28.86 2weu n ARG 115 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2weu n THR 117 N 5.05 0.00 -2.00 0.55 -2.24 -1.26 -5.04 114.28 109.34 2weu n THR 117 Ca 0.54 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.91 2weu n THR 117 Cb 0.33 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.55 2weu n THR 117 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2weu s SER 118 N 0.00 6.44 0.29 3.42 1.04 -1.26 -4.90 113.70 118.73 2weu s SER 118 Ca 0.00 2.78 0.01 0.00 0.48 0.00 0.00 55.95 59.22 2weu s SER 118 Cb 0.00 -2.65 0.70 0.00 0.10 0.00 0.00 66.02 64.17 2weu s SER 118 CO 0.00 -0.77 1.64 0.15 0.98 0.00 0.00 173.24 175.24 2weu h PHE 119 N 2.97 0.30 -0.05 5.02 3.57 -1.91 -2.49 116.94 124.34 2weu h PHE 119 Ca -0.50 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 60.98 2weu h PHE 119 Cb 1.24 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 2weu h PHE 119 CO 0.54 -0.23 -0.31 0.66 -2.23 0.00 0.00 178.31 176.74 2weu h SER 120 N 0.18 0.10 -0.23 0.41 4.64 -1.90 -1.23 113.55 115.53 2weu h SER 120 Ca 0.55 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.75 2weu h SER 120 Cb 1.10 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 2weu h SER 120 CO -0.68 0.41 -0.12 -0.08 -0.87 0.00 0.00 176.83 175.49 2weu h GLU 121 N 0.09 0.62 0.12 4.77 4.81 -1.73 -1.67 114.58 121.59 2weu h GLU 121 Ca 0.01 -0.19 -0.28 0.00 -0.13 0.00 0.00 59.36 58.77 2weu h GLU 121 Cb 0.59 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.93 2weu h GLU 121 CO 0.04 0.73 -1.22 0.00 -0.73 0.00 0.00 179.01 177.83 2weu h ALA 122 N 1.30 0.08 0.00 2.92 0.00 -1.37 -3.38 119.26 118.80 2weu h ALA 122 Ca 0.10 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2weu h ALA 122 Cb 0.54 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2weu h ALA 122 CO 0.03 0.82 -1.53 0.00 0.00 0.00 0.00 179.25 178.57 2weu s TYR 124 N -3.26 0.77 0.28 0.00 2.02 -0.64 -4.79 117.35 111.72 2weu s TYR 124 Ca -0.01 -0.20 -0.03 0.00 -0.37 0.00 0.00 57.07 56.47 2weu s TYR 124 Cb 0.15 -0.61 0.40 0.00 -0.40 0.00 0.00 41.96 41.50 2weu s TYR 124 CO 0.88 -0.13 1.92 -0.07 -1.57 0.00 0.00 175.55 176.58 2weu h LEU 125 N 6.74 1.03 -1.61 -1.29 3.38 -1.88 -2.83 115.31 118.85 2weu h LEU 125 Ca -0.35 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 57.78 2weu h LEU 125 Cb 1.16 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 2weu h LEU 125 CO 0.48 0.70 0.53 0.74 0.09 0.00 0.00 178.44 180.98 2weu h THR 126 N 1.19 0.75 -0.17 0.22 2.02 -1.94 -1.25 112.91 113.73 2weu h THR 126 Ca 0.38 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.47 2weu h THR 126 Cb 0.03 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 66.75 2weu h THR 126 CO -0.12 0.07 -0.08 -0.74 0.37 0.00 0.00 175.52 175.02 2weu h HIS 127 N 0.37 -0.18 0.00 3.16 -0.00 -1.74 0.43 115.15 117.19 2weu h HIS 127 Ca 0.39 0.02 -0.19 0.00 -0.00 0.00 0.00 60.37 60.59 2weu h HIS 127 Cb 0.97 0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 28.46 2weu h HIS 127 CO -0.00 -0.12 -0.88 0.00 -0.00 0.00 0.00 177.93 176.93 2weu h ARG 128 N -0.05 0.00 -0.56 5.26 3.08 -1.42 -1.45 114.38 119.24 2weu h ARG 128 Ca 0.09 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.15 2weu h ARG 128 Cb 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 2weu h ARG 128 CO -0.21 0.88 0.36 -0.07 -1.07 0.00 0.00 179.97 179.87 2weu h LEU 129 N 0.00 0.62 -0.63 3.04 4.07 -1.10 -1.89 115.31 119.44 2weu h LEU 129 Ca -0.01 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.87 2weu h LEU 129 Cb 1.66 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 43.22 2weu h LEU 129 CO 0.11 0.45 0.12 0.00 -1.08 0.00 0.00 178.44 178.05 2weu h GLU 131 N 0.94 0.76 -0.00 0.00 4.39 -1.07 -2.01 114.58 117.58 2weu h GLU 131 Ca 0.19 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2weu h GLU 131 Cb 0.40 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2weu h GLU 131 CO 0.01 0.65 -0.10 0.00 -1.16 0.00 0.00 179.01 178.42 2weu n ALA 132 N -2.46 2.70 -3.59 3.43 0.00 -0.73 -4.95 120.51 114.91 2weu n ALA 132 Ca 0.04 -0.22 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 2weu n ALA 132 Cb 0.19 -1.37 0.08 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.13 -7.64 -2.77 0.00 5.02 -0.47 -4.93 118.16 106.24 2weu n LYS 133 Ca 0.13 0.82 -0.33 0.00 -2.02 0.00 0.00 58.31 56.91 2weu n LYS 133 Cb 0.28 -5.86 -0.06 0.00 -0.02 0.00 0.00 35.03 29.36 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 -6.17 4.19 0.47 1.97 1.81 -0.47 -0.56 118.95 120.19 2weu s ARG 134 Ca 0.49 1.17 -0.19 0.00 -1.72 0.00 0.00 55.73 55.48 2weu s ARG 134 Cb -0.22 -2.21 -0.09 0.00 -0.45 0.00 0.00 34.95 31.98 2weu s ARG 134 CO 0.74 -0.07 0.98 0.00 -0.68 0.00 0.00 175.30 176.26 2weu s ALA 135 N -2.11 3.02 -2.00 2.13 0.00 -0.25 -4.24 121.76 118.31 2weu s ALA 135 Ca 0.62 0.34 0.26 0.00 0.00 0.00 0.00 51.96 53.18 2weu s ALA 135 Cb -0.11 -3.15 1.57 0.00 0.00 0.00 0.00 23.12 21.43 2weu s ALA 135 CO 0.15 -0.09 1.95 -0.35 0.00 0.00 0.00 175.76 177.41 2weu n PRO 136 N -1.09 0.88 -4.32 0.00 -0.04 -1.26 -4.74 135.00 124.43 2weu n PRO 136 Ca 0.07 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.33 2weu n PRO 136 Cb 0.54 -1.47 -0.13 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.00 0.95 0.75 0.54 0.52 -1.26 -1.90 118.95 116.55 2weu s ARG 137 Ca 0.40 -0.87 -0.11 0.00 -0.52 0.00 0.00 55.73 54.63 2weu s ARG 137 Cb 0.18 -0.99 0.04 0.00 0.52 0.00 0.00 34.95 34.70 2weu s ARG 137 CO 0.30 0.24 1.08 -1.64 0.02 0.00 0.00 175.30 175.30 2weu s MET 138 N -1.38 2.51 0.47 3.54 -1.94 0.18 -4.49 119.30 118.19 2weu s MET 138 Ca 0.01 0.89 0.22 0.00 -1.71 0.00 0.00 55.69 55.10 2weu s MET 138 Cb -0.09 -1.95 1.23 0.00 2.01 0.00 0.00 34.83 36.04 2weu s MET 138 CO 0.02 -1.39 1.92 -0.07 -0.01 0.00 0.00 175.02 175.50 2weu h LEU 139 N -0.93 0.21 0.00 -0.03 3.38 -1.93 0.31 115.31 116.32 2weu h LEU 139 Ca -0.45 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2weu h LEU 139 Cb 1.23 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2weu h LEU 139 CO 0.57 0.10 0.00 -0.90 0.09 0.00 0.00 178.44 178.30 2weu n ASP 140 N -4.42 0.00 0.00 -0.43 5.75 -1.26 -4.88 116.55 111.31 2weu n ASP 140 Ca 0.15 -0.88 0.00 0.00 -0.01 0.00 0.00 54.79 54.05 2weu n ASP 140 Cb 0.66 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 2weu n ASP 140 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2weu n GLY 141 N 0.62 0.48 3.75 6.12 0.00 0.11 -5.05 105.19 111.21 2weu n GLY 141 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.59 7.43 0.34 1.61 1.04 -1.25 -4.72 113.70 115.56 2weu s SER 142 Ca 0.00 2.09 -0.26 0.00 0.48 0.00 0.00 55.95 58.26 2weu s SER 142 Cb 0.00 -2.61 -0.09 0.00 0.10 0.00 0.00 66.02 63.41 2weu s SER 142 CO 0.00 -0.03 1.01 -0.22 0.98 0.00 0.00 173.24 174.98 2weu s LEU 143 N -1.10 4.32 0.40 2.42 2.96 -1.26 -0.64 118.68 125.78 2weu s LEU 143 Ca 0.44 1.99 0.21 0.00 -0.22 0.00 0.00 54.13 56.54 2weu s LEU 143 Cb -0.29 -3.98 0.76 0.00 0.50 0.00 0.00 46.19 43.18 2weu s LEU 143 CO 0.36 -0.22 1.77 2.19 -1.32 0.00 0.00 176.35 179.13 2weu h PHE 144 N 3.10 0.00 0.00 5.38 -0.00 -1.76 -3.47 116.94 120.19 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 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.15 2weu h PHE 144 CO 0.60 0.32 0.00 0.00 -0.00 0.00 0.00 178.31 179.22 2weu n ALA 145 N -2.27 0.00 -2.59 12.09 0.00 -1.26 -5.13 120.51 121.35 2weu n ALA 145 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2weu n ALA 145 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2weu n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2weu n GLY 153 N 2.50 4.30 3.43 0.00 0.00 -1.26 -5.13 105.19 109.04 2weu n GLY 153 Ca 0.00 -0.43 -0.44 0.00 0.00 0.00 0.00 46.02 45.14 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 4.15 3.56 0.29 1.61 0.52 -1.26 -2.87 118.95 124.95 2weu s ARG 154 Ca 0.00 -1.81 0.03 0.00 -0.52 0.00 0.00 55.73 53.43 2weu s ARG 154 Cb 0.00 -4.79 -0.06 0.00 0.52 0.00 0.00 34.95 30.62 2weu s ARG 154 CO 0.00 -1.70 0.07 -1.54 0.02 0.00 0.00 175.30 172.16 2weu s SER 155 N 3.42 1.80 0.41 0.23 1.04 -1.26 -5.03 113.70 114.31 2weu s SER 155 Ca 0.29 -1.37 0.04 0.00 0.48 0.00 0.00 55.95 55.39 2weu s SER 155 Cb -0.07 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 2weu s SER 155 CO -0.08 -0.66 0.06 0.42 0.98 0.00 0.00 173.24 173.97 2weu s THR 156 N -3.51 1.07 0.48 2.02 -4.23 -1.26 -4.62 115.64 105.58 2weu s THR 156 Ca 0.37 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.13 2weu s THR 156 Cb 0.08 -2.50 0.44 0.00 1.34 0.00 0.00 72.50 71.86 2weu s THR 156 CO 0.14 0.00 1.85 -0.07 -0.54 0.00 0.00 174.62 176.01 2weu h LEU 157 N 1.77 0.20 -2.21 4.79 3.38 -1.94 -1.00 115.31 120.30 2weu h LEU 157 Ca -0.40 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2weu h LEU 157 Cb 1.27 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2weu h LEU 157 CO 0.68 0.07 0.00 0.00 0.09 0.00 0.00 178.44 179.27 2weu h ALA 158 N 1.57 1.00 -0.17 1.53 0.00 -2.01 -2.66 119.26 118.53 2weu h ALA 158 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2weu h ALA 158 Cb 1.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2weu h ALA 158 CO -0.11 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.53 2weu n GLU 159 N -2.78 1.97 -1.68 0.00 4.71 -0.38 -4.91 120.64 117.57 2weu n GLU 159 Ca -0.02 -1.45 -0.44 0.00 -0.01 0.00 0.00 57.16 55.25 2weu n GLU 159 Cb 0.10 -1.45 -0.03 0.00 -1.01 0.00 0.00 31.44 29.05 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 0.69 2.65 0.00 3.49 7.27 -1.01 -4.88 117.38 125.60 2weu n GLN 160 Ca 0.17 0.97 0.00 0.00 0.07 0.00 0.00 57.00 58.21 2weu n GLN 160 Cb 0.43 -2.85 0.00 0.00 2.41 0.00 0.00 30.24 30.23 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 5.93 0.00 -1.91 3.69 5.12 -1.26 -5.05 116.66 123.18 2weu n ARG 161 Ca 0.19 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.73 2weu n ARG 161 Cb 0.36 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.68 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 2.93 -0.31 7.54 0.00 -1.26 -4.93 121.76 123.72 2weu s ALA 162 Ca 0.00 1.25 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 2weu s ALA 162 Cb 0.00 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 2weu s ALA 162 CO 0.00 -1.16 1.59 -1.14 0.00 0.00 0.00 175.76 175.05 2weu s GLN 163 N -2.77 3.60 0.23 0.00 2.00 -1.26 -4.99 119.66 116.47 2weu s GLN 163 Ca 0.68 1.36 -0.30 0.00 -2.00 0.00 0.00 55.36 55.10 2weu s GLN 163 Cb -0.38 -4.07 -0.09 0.00 0.80 0.00 0.00 33.01 29.27 2weu s GLN 163 CO 0.46 -1.53 1.29 0.12 -0.50 0.00 0.00 175.29 175.13 2weu s PHE 164 N 5.73 3.24 -1.67 1.67 5.36 -1.26 -4.91 117.98 126.14 2weu s PHE 164 Ca 0.70 1.30 0.30 0.00 -0.96 0.00 0.00 56.93 58.27 2weu s PHE 164 Cb -0.20 -3.59 1.54 0.00 -0.34 0.00 0.00 43.02 40.42 2weu s PHE 164 CO 0.31 -1.77 2.05 -0.35 -1.46 0.00 0.00 175.22 173.99 2weu n PRO 165 N 2.13 0.68 -3.90 10.12 -0.04 -1.26 -4.78 135.00 137.96 2weu n PRO 165 Ca 0.04 -0.08 -0.09 0.00 -0.04 0.00 0.00 63.50 63.32 2weu n PRO 165 Cb 0.43 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.38 0.26 0.00 0.54 -0.85 -1.26 -4.64 117.35 109.02 2weu s TYR 166 Ca 0.34 -0.64 0.00 0.00 -0.52 0.00 0.00 57.07 56.25 2weu s TYR 166 Cb 0.21 -0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.54 2weu s TYR 166 CO 0.44 -0.68 0.00 0.00 -1.52 0.00 0.00 175.55 173.78 2weu n ALA 167 N -0.18 0.00 -2.45 9.51 0.00 0.45 -4.20 120.51 123.64 2weu n ALA 167 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.07 2weu n ALA 167 Cb 0.63 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.91 2.10 -0.10 0.00 1.51 -1.26 -0.82 117.35 117.88 2weu s TYR 168 Ca 0.00 -0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 55.66 2weu s TYR 168 Cb 0.00 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 2weu s TYR 168 CO 0.00 0.29 -0.06 -1.01 -1.11 0.00 0.00 175.55 173.66 2weu s HIS 169 N -1.15 2.95 0.21 2.71 3.76 -0.47 -1.91 115.29 121.39 2weu s HIS 169 Ca 0.11 -0.11 -0.19 0.00 -0.15 0.00 0.00 55.06 54.72 2weu s HIS 169 Cb -0.10 -1.78 0.03 0.00 1.11 0.00 0.00 32.58 31.84 2weu s HIS 169 CO 0.05 0.20 0.58 -0.59 -0.85 0.00 0.00 174.74 174.13 2weu s PHE 170 N -0.42 -0.20 -0.51 1.40 -0.00 -0.44 -0.92 117.98 116.88 2weu s PHE 170 Ca 0.06 -0.14 -0.28 0.00 -0.00 0.00 0.00 56.93 56.56 2weu s PHE 170 Cb -0.12 0.49 0.02 0.00 -0.00 0.00 0.00 43.02 43.41 2weu s PHE 170 CO 0.02 -0.98 1.28 0.34 -0.00 0.00 0.00 175.22 175.89 2weu s ASP 171 N -2.86 6.39 0.40 1.98 -1.08 -0.44 -1.39 116.67 119.65 2weu s ASP 171 Ca 0.08 0.40 0.14 0.00 -0.52 0.00 0.00 52.55 52.65 2weu s ASP 171 Cb -0.02 -2.55 0.82 0.00 -1.46 0.00 0.00 42.92 39.71 2weu s ASP 171 CO -0.02 -1.48 1.87 0.00 0.52 0.00 0.00 175.17 176.06 2weu h ALA 172 N 10.11 1.42 -0.64 3.66 0.00 -1.88 -2.24 119.26 129.69 2weu h ALA 172 Ca -0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 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 1.15 0.40 0.36 -0.44 0.00 0.00 0.00 179.25 180.72 2weu h ASP 173 N 0.00 0.80 -0.55 0.00 3.32 -1.90 -0.06 116.42 118.03 2weu h ASP 173 Ca -0.00 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 2weu h ASP 173 Cb 0.58 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 2weu h ASP 173 CO 0.04 0.65 0.09 -0.33 -1.72 0.00 0.00 179.24 177.97 2weu h GLU 174 N 0.88 0.91 -0.52 3.56 4.39 -1.82 -1.19 114.58 120.79 2weu h GLU 174 Ca 0.23 -0.24 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2weu h GLU 174 Cb 0.02 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 2weu h GLU 174 CO -0.04 0.88 0.33 0.28 -1.16 0.00 0.00 179.01 179.30 2weu h VAL 175 N 0.80 1.10 -0.81 3.13 2.07 -1.15 0.99 116.25 122.39 2weu h VAL 175 Ca 0.17 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2weu h VAL 175 Cb 0.41 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2weu h VAL 175 CO 0.01 0.12 0.39 0.00 0.02 0.00 0.00 177.57 178.12 2weu h ALA 176 N 1.21 1.04 -0.47 1.67 0.00 -0.82 0.05 119.26 121.93 2weu h ALA 176 Ca 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2weu h ALA 176 Cb -0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2weu h ALA 176 CO -0.06 0.60 0.18 -0.09 0.00 0.00 0.00 179.25 179.87 2weu h ARG 177 N 1.14 0.71 -0.50 0.00 2.43 -0.79 -0.77 114.38 116.60 2weu h ARG 177 Ca 0.28 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 2weu h ARG 177 Cb 0.11 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 2weu h ARG 177 CO -0.04 0.65 0.27 -0.92 -1.51 0.00 0.00 179.97 178.42 2weu h TYR 178 N 0.62 0.49 -0.04 2.20 3.20 -0.27 -2.26 116.97 120.91 2weu h TYR 178 Ca 0.16 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.94 2weu h TYR 178 Cb 0.21 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2weu h TYR 178 CO 0.01 0.26 -0.46 -0.07 -1.64 0.00 0.00 178.16 176.25 2weu h LEU 179 N 0.53 0.10 -0.58 2.82 3.38 -0.77 -2.64 115.31 118.15 2weu h LEU 179 Ca 0.21 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2weu h LEU 179 Cb 0.10 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2weu h LEU 179 CO -0.13 0.55 0.30 0.77 0.09 0.00 0.00 178.44 180.02 2weu h SER 180 N 0.08 0.74 -0.48 -0.43 4.64 -0.78 0.81 113.55 118.13 2weu h SER 180 Ca 0.00 -0.11 0.03 0.00 -0.47 0.00 0.00 61.79 61.25 2weu h SER 180 Cb 0.85 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.71 2weu h SER 180 CO 0.06 0.64 0.26 -0.33 -0.87 0.00 0.00 176.83 176.59 2weu h GLU 181 N 0.78 0.50 -0.39 4.77 5.08 -1.08 0.11 114.58 124.36 2weu h GLU 181 Ca 0.20 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 2weu h GLU 181 Cb 0.08 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2weu h GLU 181 CO -0.03 0.33 0.20 -0.92 -1.00 0.00 0.00 179.01 177.59 2weu h TYR 182 N 0.51 0.38 -0.16 4.33 3.20 -1.13 -1.12 116.97 122.98 2weu h TYR 182 Ca 0.20 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 2weu h TYR 182 Cb 0.08 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 2weu h TYR 182 CO -0.09 0.21 -0.24 0.00 -1.64 0.00 0.00 178.16 176.39 2weu h ALA 183 N 1.19 0.25 -0.73 1.82 0.00 -0.57 -2.51 119.26 118.71 2weu h ALA 183 Ca 0.16 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2weu h ALA 183 Cb 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2weu h ALA 183 CO -0.10 0.22 0.19 0.82 0.00 0.00 0.00 179.25 180.38 2weu h ILE 184 N 0.09 1.26 -0.69 0.00 2.04 -0.96 -1.60 117.51 117.66 2weu h ILE 184 Ca 0.02 -0.96 0.16 0.00 1.00 0.00 0.00 64.86 65.07 2weu h ILE 184 Cb 0.82 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 2weu h ILE 184 CO 0.06 0.37 0.47 0.00 0.00 0.00 0.00 178.15 179.05 2weu h ALA 185 N 1.10 2.34 -0.54 1.87 0.00 -1.08 -1.87 119.26 121.08 2weu h ALA 185 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2weu h ALA 185 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2weu h ALA 185 CO -0.00 -0.53 0.00 0.54 0.00 0.00 0.00 179.25 179.26 2weu n ARG 186 N -4.42 2.27 0.00 0.00 1.74 -0.65 -4.93 116.66 110.66 2weu n ARG 186 Ca 0.13 -1.97 0.00 0.00 -0.77 0.00 0.00 57.85 55.25 2weu n ARG 186 Cb 0.61 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 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 1.37 0.90 3.71 -0.13 0.00 -0.70 -4.90 105.19 105.45 2weu n GLY 187 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 3.20 -0.24 1.61 1.01 -0.90 -4.70 120.40 118.38 2weu s VAL 188 Ca 0.00 0.83 -0.26 0.00 0.00 0.00 0.00 61.98 62.55 2weu s VAL 188 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2weu s VAL 188 CO 0.00 0.05 0.91 -0.60 0.00 0.00 0.00 175.10 175.46 2weu s ARG 189 N 1.34 4.22 -0.30 2.72 3.52 -0.15 -4.49 118.95 125.80 2weu s ARG 189 Ca 0.66 1.10 -0.11 0.00 -0.13 0.00 0.00 55.73 57.25 2weu s ARG 189 Cb -0.38 -3.64 -0.03 0.00 -1.56 0.00 0.00 34.95 29.34 2weu s ARG 189 CO 0.30 -0.55 0.19 -1.58 -0.81 0.00 0.00 175.30 172.85 2weu s HIS 190 N 2.95 3.21 -0.21 5.12 5.65 -1.26 -0.65 115.29 130.09 2weu s HIS 190 Ca 0.38 -0.09 -0.01 0.00 0.25 0.00 0.00 55.06 55.59 2weu s HIS 190 Cb -0.15 -2.39 0.02 0.00 -1.18 0.00 0.00 32.58 28.87 2weu s HIS 190 CO 0.07 -0.27 -0.11 0.08 -0.65 0.00 0.00 174.74 173.86 2weu s VAL 191 N 1.72 2.66 -0.39 0.89 1.01 -0.13 -4.99 120.40 121.17 2weu s VAL 191 Ca 0.06 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 2weu s VAL 191 Cb -0.16 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 33.99 2weu s VAL 191 CO 0.10 0.39 0.46 -0.69 0.00 0.00 0.00 175.10 175.35 2weu s VAL 192 N 1.35 5.06 0.02 2.92 1.01 -1.26 -0.72 120.40 128.78 2weu s VAL 192 Ca 0.03 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 2weu s VAL 192 Cb -0.15 -4.00 0.10 0.00 0.00 0.00 0.00 36.38 32.34 2weu s VAL 192 CO -0.08 -0.33 1.10 -0.62 0.00 0.00 0.00 175.10 175.17 2weu s ASP 193 N 1.81 -0.16 -0.13 3.32 -1.08 0.13 -4.93 116.67 115.63 2weu s ASP 193 Ca 0.14 -0.19 -0.06 0.00 -0.52 0.00 0.00 52.55 51.93 2weu s ASP 193 Cb -0.16 0.31 -0.04 0.00 -1.46 0.00 0.00 42.92 41.56 2weu s ASP 193 CO 0.14 -0.55 0.08 -1.81 0.52 0.00 0.00 175.17 173.56 2weu s ASP 194 N -2.77 5.90 -0.24 -0.34 1.01 -1.26 -3.13 116.67 115.83 2weu s ASP 194 Ca 0.11 0.27 -0.25 0.00 0.71 0.00 0.00 52.55 53.39 2weu s ASP 194 Cb 0.01 -1.89 -0.00 0.00 1.01 0.00 0.00 42.92 42.05 2weu s ASP 194 CO -0.03 0.33 0.87 -0.69 0.21 0.00 0.00 175.17 175.86 2weu s VAL 195 N -0.54 4.80 -0.10 -1.27 1.01 -1.26 -1.79 120.40 121.25 2weu s VAL 195 Ca 0.11 1.65 0.15 0.00 0.00 0.00 0.00 61.98 63.89 2weu s VAL 195 Cb -0.12 -4.15 -0.24 0.00 0.00 0.00 0.00 36.38 31.87 2weu s VAL 195 CO 0.02 -0.10 0.45 0.00 0.00 0.00 0.00 175.10 175.47 2weu n GLN 196 N 6.07 0.65 -3.69 2.72 1.13 0.11 -4.97 117.38 119.40 2weu n GLN 196 Ca 0.07 0.18 -0.14 0.00 -1.94 0.00 0.00 57.00 55.16 2weu n GLN 196 Cb 0.47 -1.69 -0.08 0.00 0.11 0.00 0.00 30.24 29.05 2weu n GLN 196 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2weu s HIS 197 N -2.57 -0.40 -0.25 1.08 2.46 -1.17 -5.02 115.29 109.41 2weu s HIS 197 Ca -0.07 0.81 -0.04 0.00 0.47 0.00 0.00 55.06 56.23 2weu s HIS 197 Cb 0.07 0.19 0.00 0.00 -0.13 0.00 0.00 32.58 32.71 2weu s HIS 197 CO 0.83 -0.38 -0.00 0.08 -2.47 0.00 0.00 174.74 172.79 2weu s VAL 198 N -0.71 3.51 0.26 0.89 1.01 -1.26 -0.52 120.40 123.57 2weu s VAL 198 Ca -0.08 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.10 2weu s VAL 198 Cb -0.03 -2.69 -0.08 0.00 0.00 0.00 0.00 36.38 33.57 2weu s VAL 198 CO 0.04 0.28 0.73 -0.83 0.00 0.00 0.00 175.10 175.32 2weu s GLY 199 N 1.47 2.52 0.17 4.51 0.00 -0.01 -5.00 107.32 110.98 2weu s GLY 199 Ca 0.04 0.12 0.09 0.00 0.00 0.00 0.00 44.72 44.97 2weu s GLY 199 CO -0.01 0.43 -0.19 1.20 0.00 0.00 0.00 173.10 174.53 2weu s GLN 200 N -2.32 1.31 0.45 2.90 -0.21 -1.26 -0.43 119.66 120.11 2weu s GLN 200 Ca 0.47 -1.43 0.03 0.00 0.02 0.00 0.00 55.36 54.45 2weu s GLN 200 Cb -0.14 -1.40 0.08 0.00 1.00 0.00 0.00 33.01 32.55 2weu s GLN 200 CO 0.20 0.29 0.62 -0.40 -2.12 0.00 0.00 175.29 173.88 2weu n ASP 201 N 0.27 1.19 0.21 5.90 5.68 -0.18 -4.76 116.55 124.87 2weu n ASP 201 Ca -0.13 -1.92 0.15 0.00 -0.50 0.00 0.00 54.79 52.39 2weu n ASP 201 Cb 0.57 -0.37 0.69 0.00 -1.14 0.00 0.00 41.12 40.87 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 -0.01 0.11 4.11 -2.02 -0.51 114.58 116.26 2weu h GLU 202 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 2weu h GLU 202 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2weu h GLU 202 CO 0.26 0.00 -0.20 0.54 0.07 0.00 0.00 179.01 179.68 2weu n ARG 203 N -2.61 1.09 -0.60 1.06 5.12 -1.26 -4.93 116.66 114.52 2weu n ARG 203 Ca 0.00 -0.66 0.00 0.00 -1.93 0.00 0.00 57.85 55.26 2weu n ARG 203 Cb 0.18 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 2weu n ARG 203 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2weu n GLY 204 N 1.30 0.73 3.82 -0.13 0.00 -0.20 -5.06 105.19 105.66 2weu n GLY 204 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.40 3.12 0.00 1.61 0.52 -1.26 -4.77 118.94 115.77 2weu s TRP 205 Ca 0.00 1.48 -0.30 0.00 0.02 0.00 0.00 56.10 57.29 2weu s TRP 205 Cb 0.00 -2.93 -0.05 0.00 -1.15 0.00 0.00 33.47 29.34 2weu s TRP 205 CO 0.00 -0.99 1.21 0.42 0.02 0.00 0.00 176.95 177.61 2weu s ILE 206 N -2.63 4.12 -0.11 2.03 1.01 -1.26 -1.01 121.20 123.35 2weu s ILE 206 Ca 0.61 1.49 0.19 0.00 0.00 0.00 0.00 60.65 62.94 2weu s ILE 206 Cb -0.14 -3.96 -0.28 0.00 0.01 0.00 0.00 42.46 38.08 2weu s ILE 206 CO 0.40 0.06 0.45 -1.54 0.00 0.00 0.00 174.94 174.31 2weu n SER 207 N 4.60 0.71 0.00 3.58 3.41 0.43 -4.83 113.62 121.52 2weu n SER 207 Ca 0.10 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2weu n SER 207 Cb 0.46 1.78 0.00 0.00 -0.26 0.00 0.00 64.21 66.19 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 1.43 1.79 3.35 5.00 0.00 -1.21 -4.52 105.19 111.02 2weu n GLY 208 Ca -0.03 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 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 2.99 -0.27 1.61 -7.23 0.13 -0.83 120.40 114.80 2weu s VAL 209 Ca 0.00 -0.67 -0.14 0.00 -1.81 0.00 0.00 61.98 59.36 2weu s VAL 209 Cb 0.00 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 2weu s VAL 209 CO 0.00 0.52 0.32 -1.00 -0.31 0.00 0.00 175.10 174.62 2weu s HIS 210 N 0.52 3.24 0.22 2.82 3.76 0.32 -0.63 115.29 125.53 2weu s HIS 210 Ca -0.09 0.31 0.07 0.00 -0.15 0.00 0.00 55.06 55.20 2weu s HIS 210 Cb -0.16 -2.51 -0.04 0.00 1.11 0.00 0.00 32.58 30.98 2weu s HIS 210 CO 0.04 -0.21 0.14 0.95 -0.85 0.00 0.00 174.74 174.81 2weu s THR 211 N 1.97 4.29 0.21 1.30 -4.23 -0.09 0.09 115.64 119.18 2weu s THR 211 Ca 0.12 -1.36 -0.10 0.00 -1.18 0.00 0.00 61.69 59.17 2weu s THR 211 Cb -0.16 -3.27 0.15 0.00 1.34 0.00 0.00 72.50 70.57 2weu s THR 211 CO 0.10 -0.26 1.87 0.50 -0.54 0.00 0.00 174.62 176.29 2weu h LYS 212 N 1.91 0.99 0.00 3.99 3.64 -1.65 -3.31 116.57 122.14 2weu h LYS 212 Ca -0.48 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2weu h LYS 212 Cb 1.23 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2weu h LYS 212 CO 0.61 0.67 -0.25 1.04 -2.27 0.00 0.00 179.45 179.25 2weu n GLN 213 N -4.55 4.63 -0.13 1.90 1.13 -1.26 -4.74 117.38 114.36 2weu n GLN 213 Ca 0.07 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.18 2weu n GLN 213 Cb 0.03 -0.59 0.12 0.00 0.11 0.00 0.00 30.24 29.91 2weu n GLN 213 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2weu n HIS 214 N -1.01 0.25 -4.81 1.08 8.25 -1.26 -5.10 115.22 112.61 2weu n HIS 214 Ca 0.00 -0.72 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 2weu n HIS 214 Cb 0.00 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 30.99 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 -0.60 1.09 3.66 -1.41 0.00 -1.24 -4.63 105.19 102.04 2weu n GLY 215 Ca 0.11 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 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 4.19 -0.29 1.61 2.12 -1.26 -0.92 118.70 124.15 2weu s GLU 216 Ca 0.00 0.47 -0.10 0.00 0.36 0.00 0.00 54.97 55.70 2weu s GLU 216 Cb 0.00 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 2weu s GLU 216 CO 0.00 -0.19 0.16 0.42 -0.54 0.00 0.00 175.26 175.11 2weu s ILE 217 N 1.77 4.90 0.21 -3.70 1.01 0.20 -4.92 121.20 120.66 2weu s ILE 217 Ca 0.25 -0.12 0.11 0.00 0.00 0.00 0.00 60.65 60.89 2weu s ILE 217 Cb -0.16 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2weu s ILE 217 CO 0.10 0.18 -0.21 -0.55 0.00 0.00 0.00 174.94 174.46 2weu s SER 218 N 1.68 3.60 0.14 3.58 0.15 -1.26 -0.69 113.70 120.90 2weu s SER 218 Ca 0.06 -0.85 -0.24 0.00 0.70 0.00 0.00 55.95 55.62 2weu s SER 218 Cb -0.16 -0.34 0.08 0.00 -1.71 0.00 0.00 66.02 63.89 2weu s SER 218 CO 0.08 0.10 1.09 -0.83 1.20 0.00 0.00 173.24 174.89 2weu s GLY 219 N -2.86 0.06 0.02 9.45 0.00 -1.26 -4.91 107.32 107.81 2weu s GLY 219 Ca 0.23 -0.25 -0.13 0.00 0.00 0.00 0.00 44.72 44.58 2weu s GLY 219 CO 0.12 3.12 0.95 -0.55 0.00 0.00 0.00 173.10 176.74 2weu h ASP 220 N 2.00 0.73 -3.73 1.64 3.32 -1.81 -3.46 116.42 115.10 2weu h ASP 220 Ca -0.26 -0.84 -0.49 0.00 0.02 0.00 0.00 57.03 55.46 2weu h ASP 220 Cb 1.21 -0.24 -0.32 0.00 0.22 0.00 0.00 39.33 40.20 2weu h ASP 220 CO 0.35 1.67 -0.81 -0.22 -1.72 0.00 0.00 179.24 178.51 2weu s LEU 221 N -7.45 1.77 -0.10 1.55 2.96 -1.00 -4.88 118.68 111.53 2weu s LEU 221 Ca -0.10 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 2weu s LEU 221 Cb 0.05 -0.75 -0.02 0.00 0.50 0.00 0.00 46.19 45.97 2weu s LEU 221 CO 0.92 0.08 -0.09 -0.36 -1.32 0.00 0.00 176.35 175.58 2weu s PHE 222 N 0.29 2.88 -0.21 5.38 0.08 0.62 -1.18 117.98 125.84 2weu s PHE 222 Ca -0.06 -0.23 -0.02 0.00 0.12 0.00 0.00 56.93 56.74 2weu s PHE 222 Cb -0.11 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.57 2weu s PHE 222 CO 0.02 0.11 -0.10 0.08 -0.10 0.00 0.00 175.22 175.23 2weu s VAL 223 N -0.30 2.91 -0.60 -0.44 1.01 0.56 -1.26 120.40 122.28 2weu s VAL 223 Ca 0.04 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.13 2weu s VAL 223 Cb -0.13 -2.31 0.06 0.00 0.00 0.00 0.00 36.38 34.00 2weu s VAL 223 CO 0.03 0.45 0.93 -0.62 0.00 0.00 0.00 175.10 175.89 2weu s ASP 224 N 1.41 6.25 -0.33 3.32 -1.08 0.10 -1.00 116.67 125.34 2weu s ASP 224 Ca 0.05 -0.70 0.07 0.00 -0.52 0.00 0.00 52.55 51.45 2weu s ASP 224 Cb -0.14 -2.42 0.47 0.00 -1.46 0.00 0.00 42.92 39.37 2weu s ASP 224 CO -0.07 -1.31 1.38 0.00 0.52 0.00 0.00 175.17 175.69 2weu n THR 226 N -0.92 0.35 -4.72 0.00 -2.24 -1.13 -4.34 114.28 101.28 2weu n THR 226 Ca 0.39 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2weu n THR 226 Cb 0.91 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 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 0.78 0.57 0.42 3.38 0.00 -1.26 -3.62 105.19 105.46 2weu n GLY 227 Ca 0.07 -0.78 0.23 0.00 0.00 0.00 0.00 46.02 45.54 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 0.16 -0.93 1.61 0.04 -1.94 -0.02 116.94 115.85 2weu h PHE 228 Ca 0.00 0.00 0.24 0.00 2.80 0.00 0.00 57.97 61.01 2weu h PHE 228 Cb 0.00 -0.05 -0.13 0.00 2.20 0.00 0.00 35.95 37.97 2weu h PHE 228 CO 0.00 0.05 0.46 -0.09 -0.60 0.00 0.00 178.31 178.12 2weu h ARG 229 N 0.12 0.42 -6.61 1.51 2.43 -1.92 -3.47 114.38 106.87 2weu h ARG 229 Ca 0.38 -0.03 -0.52 0.00 -0.81 0.00 0.00 59.98 59.00 2weu h ARG 229 Cb 1.31 -0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.69 2weu h ARG 229 CO -0.05 0.28 -0.91 0.41 -1.51 0.00 0.00 179.97 178.19 2weu n GLY 230 N -1.33 -0.24 0.30 2.80 0.00 -0.05 -4.57 105.19 102.10 2weu n GLY 230 Ca 0.24 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.84 0.51 0.00 0.99 5.85 -1.86 0.22 115.31 119.18 2weu h LEU 231 Ca -0.64 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.16 2weu h LEU 231 Cb 1.38 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.41 2weu h LEU 231 CO 0.63 0.24 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.64 2weu h LEU 232 N 0.63 0.00 -1.10 2.25 3.38 -1.94 -2.31 115.31 116.22 2weu h LEU 232 Ca 0.42 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.36 2weu h LEU 232 Cb 0.54 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2weu h LEU 232 CO -0.33 0.54 0.20 -0.29 0.09 0.00 0.00 178.44 178.66 2weu h ILE 233 N -0.81 1.21 0.00 1.22 6.09 -1.94 -0.95 117.51 122.33 2weu h ILE 233 Ca 0.00 -0.70 -0.27 0.00 -1.37 0.00 0.00 64.86 62.52 2weu h ILE 233 Cb 0.27 0.57 -0.04 0.00 0.47 0.00 0.00 36.82 38.09 2weu h ILE 233 CO 0.00 0.27 -1.83 0.59 -3.07 0.00 0.00 178.15 174.11 2weu n ASN 234 N -4.31 1.69 0.15 2.19 4.13 -0.11 -1.20 115.26 117.80 2weu n ASN 234 Ca 0.05 0.29 0.00 0.00 1.68 0.00 0.00 54.58 56.59 2weu n ASN 234 Cb 0.18 -0.68 0.22 0.00 -1.54 0.00 0.00 39.78 37.96 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 -0.83 0.00 0.00 3.52 4.20 -1.16 -2.83 115.11 118.00 2weu h GLN 235 Ca -0.40 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.02 2weu h GLN 235 Cb 1.30 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.04 2weu h GLN 235 CO -0.24 0.55 -1.86 2.41 -0.67 0.00 0.00 178.83 179.02 2weu n THR 236 N -3.82 1.52 1.30 -0.54 -1.04 -0.87 -4.68 114.28 106.15 2weu n THR 236 Ca -0.01 -0.17 0.13 0.00 -2.04 0.00 0.00 64.05 61.96 2weu n THR 236 Cb 0.57 -2.06 0.41 0.00 -1.82 0.00 0.00 70.33 67.43 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 -4.35 1.18 -0.84 -4.42 4.77 -0.40 -4.95 117.00 107.99 2weu n LEU 237 Ca -0.38 -0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 55.17 2weu n LEU 237 Cb 0.73 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 2weu n LEU 237 CO 0.10 0.21 -0.10 0.61 -1.33 0.00 0.00 177.39 176.88 2weu n GLY 238 N 1.30 0.66 3.71 -0.72 0.00 -1.07 -4.97 105.19 104.11 2weu n GLY 238 Ca 0.14 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 2weu n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2weu n GLY 239 N -1.53 0.85 3.64 -0.02 0.00 -0.34 -4.95 105.19 102.83 2weu n GLY 239 Ca -0.10 0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 2weu n GLY 239 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2weu s ARG 240 N -1.34 4.14 -0.15 1.61 0.52 -1.26 -4.62 118.95 117.85 2weu s ARG 240 Ca 0.59 0.57 -0.21 0.00 -0.52 0.00 0.00 55.73 56.16 2weu s ARG 240 Cb -0.56 -3.63 -0.03 0.00 0.52 0.00 0.00 34.95 31.25 2weu s ARG 240 CO 0.57 -0.35 0.62 0.12 0.02 0.00 0.00 175.30 176.28 2weu s PHE 241 N 2.30 3.44 -0.42 -0.53 5.36 -1.26 -0.59 117.98 126.28 2weu s PHE 241 Ca 0.27 1.00 -0.18 0.00 -0.96 0.00 0.00 56.93 57.06 2weu s PHE 241 Cb -0.16 -2.76 0.02 0.00 -0.34 0.00 0.00 43.02 39.78 2weu s PHE 241 CO 0.09 -0.06 0.47 -1.14 -1.46 0.00 0.00 175.22 173.12 2weu s GLN 242 N 1.45 3.14 0.30 10.12 0.74 0.82 -4.94 119.66 131.29 2weu s GLN 242 Ca 0.30 -0.69 -0.28 0.00 0.05 0.00 0.00 55.36 54.75 2weu s GLN 242 Cb -0.16 -3.96 -0.09 0.00 1.10 0.00 0.00 33.01 29.89 2weu s GLN 242 CO 0.12 -0.87 1.07 0.45 -0.55 0.00 0.00 175.29 175.51 2weu s SER 243 N 1.84 7.18 -0.17 6.67 0.15 -1.26 -1.61 113.70 126.51 2weu s SER 243 Ca 0.14 2.19 0.16 0.00 0.70 0.00 0.00 55.95 59.14 2weu s SER 243 Cb -0.17 -2.62 0.77 0.00 -1.71 0.00 0.00 66.02 62.30 2weu s SER 243 CO 0.14 -0.20 1.68 0.49 1.20 0.00 0.00 173.24 176.56 2weu n PHE 244 N 0.93 1.76 0.18 3.44 3.72 -0.35 -4.67 117.46 122.47 2weu n PHE 244 Ca 0.00 -0.65 0.11 0.00 -0.05 0.00 0.00 57.45 56.86 2weu n PHE 244 Cb 0.46 -0.37 0.64 0.00 -0.94 0.00 0.00 39.48 39.28 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 4.05 0.02 0.08 4.37 0.02 -1.76 0.16 113.55 120.49 2weu h SER 245 Ca 0.00 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2weu h SER 245 Cb 1.69 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.21 2weu h SER 245 CO 0.35 0.01 -0.19 -2.24 -1.14 0.00 0.00 176.83 173.63 2weu h ASP 246 N 0.02 0.21 0.00 3.07 2.03 -1.98 -3.25 116.42 116.52 2weu h ASP 246 Ca 0.07 -0.05 -0.09 0.00 -0.73 0.00 0.00 57.03 56.23 2weu h ASP 246 Cb 0.25 -0.06 -0.02 0.00 -0.83 0.00 0.00 39.33 38.68 2weu h ASP 246 CO -0.00 0.41 -1.69 1.33 -1.03 0.00 0.00 179.24 178.26 2weu n VAL 247 N -4.23 0.35 -3.60 4.15 0.24 -0.43 -4.42 118.33 110.38 2weu n VAL 247 Ca -0.01 -0.39 -0.29 0.00 -2.04 0.00 0.00 64.34 61.61 2weu n VAL 247 Cb 0.31 -0.17 -0.12 0.00 -1.47 0.00 0.00 33.84 32.38 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 -4.31 2.04 0.00 1.34 1.43 0.43 -4.92 118.68 114.68 2weu s LEU 248 Ca -0.05 -2.54 0.27 0.00 -1.03 0.00 0.00 54.13 50.78 2weu s LEU 248 Cb 0.06 -0.78 1.20 0.00 0.03 0.00 0.00 46.19 46.70 2weu s LEU 248 CO 0.52 -0.27 1.87 -0.81 0.23 0.00 0.00 176.35 177.89 2weu n PRO 249 N 3.62 0.10 -1.93 1.29 -0.04 -1.23 -4.20 135.00 132.62 2weu n PRO 249 Ca 0.12 0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 63.20 2weu n PRO 249 Cb 0.36 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 2weu n PRO 249 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2weu s ASN 250 N -2.89 6.60 0.00 3.54 0.01 -1.26 -4.60 114.94 116.34 2weu s ASN 250 Ca 0.16 2.53 0.00 0.00 -0.71 0.00 0.00 52.86 54.84 2weu s ASN 250 Cb 0.18 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.26 2weu s ASN 250 CO 0.47 -0.86 0.07 -0.46 -1.51 0.00 0.00 177.10 174.81 2weu n ASN 251 N 5.06 0.15 -4.15 -1.22 6.94 -0.06 -4.89 115.26 117.08 2weu n ASN 251 Ca 0.15 -0.48 -0.09 0.00 -0.02 0.00 0.00 54.58 54.14 2weu n ASN 251 Cb 0.40 0.29 -0.10 0.00 -2.36 0.00 0.00 39.78 38.01 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 -0.29 0.87 0.06 -3.83 0.52 -0.83 -0.01 118.95 115.44 2weu s ARG 252 Ca 0.00 -1.40 -0.10 0.00 -0.52 0.00 0.00 55.73 53.71 2weu s ARG 252 Cb 0.00 0.18 0.01 0.00 0.52 0.00 0.00 34.95 35.65 2weu s ARG 252 CO 0.00 -0.21 0.22 0.00 0.02 0.00 0.00 175.30 175.33 2weu s ALA 253 N -3.98 -0.39 -0.04 2.13 0.00 -0.33 -1.09 121.76 118.07 2weu s ALA 253 Ca 0.20 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.84 2weu s ALA 253 Cb 0.07 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.58 2weu s ALA 253 CO -0.01 -0.43 -0.04 0.54 0.00 0.00 0.00 175.76 175.83 2weu s VAL 254 N -3.02 0.45 0.12 0.00 0.11 -0.44 -1.15 120.40 116.46 2weu s VAL 254 Ca -0.02 -0.09 0.08 0.00 -2.93 0.00 0.00 61.98 59.02 2weu s VAL 254 Cb 0.01 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 2weu s VAL 254 CO -0.06 0.20 -0.18 0.00 -3.33 0.00 0.00 175.10 171.72 2weu s ALA 255 N 0.82 1.73 0.05 1.54 0.00 -0.12 -0.73 121.76 125.04 2weu s ALA 255 Ca -0.10 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.62 2weu s ALA 255 Cb -0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2weu s ALA 255 CO -0.00 0.27 -0.12 -0.51 0.00 0.00 0.00 175.76 175.40 2weu s LEU 256 N -2.15 2.22 -0.28 0.00 1.43 0.11 -1.27 118.68 118.73 2weu s LEU 256 Ca 0.08 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.57 2weu s LEU 256 Cb -0.08 -0.43 -0.03 0.00 0.03 0.00 0.00 46.19 45.67 2weu s LEU 256 CO 0.04 -0.06 0.16 -0.13 0.23 0.00 0.00 176.35 176.59 2weu s ARG 257 N -1.38 3.73 -0.31 1.70 0.52 -1.26 -0.95 118.95 121.00 2weu s ARG 257 Ca -0.03 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 54.76 2weu s ARG 257 Cb -0.09 -3.58 0.08 0.00 0.52 0.00 0.00 34.95 31.88 2weu s ARG 257 CO 0.01 -0.25 -0.01 0.08 0.02 0.00 0.00 175.30 175.15 2weu s VAL 258 N 1.70 2.35 0.50 3.52 1.01 0.24 -4.89 120.40 124.83 2weu s VAL 258 Ca 0.06 -1.96 -0.23 0.00 0.00 0.00 0.00 61.98 59.86 2weu s VAL 258 Cb -0.16 -2.56 -0.07 0.00 0.00 0.00 0.00 36.38 33.59 2weu s VAL 258 CO 0.08 -0.33 1.25 -2.65 0.00 0.00 0.00 175.10 173.45 2weu n PRO 259 N 4.38 1.66 -3.41 2.72 -0.02 -1.26 -0.90 135.00 138.16 2weu n PRO 259 Ca -0.05 0.60 -0.38 0.00 -2.02 0.00 0.00 63.50 61.65 2weu n PRO 259 Cb 0.42 -2.41 -0.08 0.00 -0.02 0.00 0.00 33.50 31.41 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 -2.55 4.11 -0.05 -0.52 3.52 -0.82 -4.80 118.95 117.84 2weu s ARG 260 Ca 0.67 0.12 -0.26 0.00 -0.13 0.00 0.00 55.73 56.13 2weu s ARG 260 Cb -0.46 -3.58 -0.21 0.00 -1.56 0.00 0.00 34.95 29.14 2weu s ARG 260 CO 0.53 -0.12 1.14 1.49 -0.81 0.00 0.00 175.30 177.53 2weu h GLU 261 N 7.66 -0.01 -4.85 5.12 4.57 -1.92 -3.43 114.58 121.71 2weu h GLU 261 Ca -0.34 0.00 -0.67 0.00 -1.18 0.00 0.00 59.36 57.17 2weu h GLU 261 Cb 1.16 0.00 -0.26 0.00 -0.16 0.00 0.00 28.75 29.50 2weu h GLU 261 CO 0.69 0.58 -0.63 -0.80 -1.18 0.00 0.00 179.01 177.67 2weu s ASN 262 N -5.79 5.03 0.38 1.04 -0.87 -1.26 -5.00 114.94 108.48 2weu s ASN 262 Ca -0.16 -0.60 0.11 0.00 -1.57 0.00 0.00 52.86 50.64 2weu s ASN 262 Cb 0.01 -1.87 0.91 0.00 -0.02 0.00 0.00 41.25 40.27 2weu s ASN 262 CO 0.67 -0.15 1.90 0.44 -2.57 0.00 0.00 177.10 177.39 2weu h ASP 263 N 8.22 0.55 0.43 -1.22 3.32 -2.01 -1.91 116.42 123.80 2weu h ASP 263 Ca -0.34 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2weu h ASP 263 Cb 1.14 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2weu h ASP 263 CO 0.60 0.29 0.00 -0.62 -1.72 0.00 0.00 179.24 177.79 2weu n GLU 264 N -4.52 0.36 0.00 3.56 -0.58 -1.26 -2.47 120.64 115.73 2weu n GLU 264 Ca 0.16 0.06 0.12 0.00 -0.42 0.00 0.00 57.16 57.08 2weu n GLU 264 Cb 0.47 -1.50 0.63 0.00 -0.57 0.00 0.00 31.44 30.48 2weu n GLU 264 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2weu n ASP 265 N -1.27 0.00 -4.65 1.62 8.00 -0.72 -4.85 116.55 114.68 2weu n ASP 265 Ca 0.12 -0.08 -0.42 0.00 0.71 0.00 0.00 54.79 55.11 2weu n ASP 265 Cb 0.19 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 2weu n ASP 265 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2weu s MET 266 N -2.56 3.91 -0.05 -1.24 1.75 -1.03 -4.96 119.30 115.12 2weu s MET 266 Ca 0.24 2.37 -0.22 0.00 -1.25 0.00 0.00 55.69 56.83 2weu s MET 266 Cb 0.17 -4.17 -0.04 0.00 2.84 0.00 0.00 34.83 33.62 2weu s MET 266 CO 0.38 -1.20 0.63 1.03 -0.65 0.00 0.00 175.02 175.21 2weu s ARG 267 N 4.81 4.38 -0.06 4.11 0.52 -1.26 -4.62 118.95 126.84 2weu s ARG 267 Ca 0.88 0.77 -0.02 0.00 -0.52 0.00 0.00 55.73 56.83 2weu s ARG 267 Cb -0.38 -3.40 -0.07 0.00 0.52 0.00 0.00 34.95 31.62 2weu s ARG 267 CO 0.38 0.20 2.61 -0.35 0.02 0.00 0.00 175.30 178.15 2weu n PRO 268 N 3.34 1.51 -3.49 3.54 -0.04 -1.26 -4.69 135.00 133.90 2weu n PRO 268 Ca -0.04 -0.63 -0.10 0.00 -0.04 0.00 0.00 63.50 62.68 2weu n PRO 268 Cb 0.51 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.07 -0.41 0.22 0.54 -0.85 -1.22 0.24 117.35 115.93 2weu s TYR 269 Ca 0.30 0.34 -0.21 0.00 -0.52 0.00 0.00 57.07 56.98 2weu s TYR 269 Cb 0.16 0.52 -0.08 0.00 0.38 0.00 0.00 41.96 42.94 2weu s TYR 269 CO -0.01 -0.59 0.74 0.99 -1.52 0.00 0.00 175.55 175.16 2weu s THR 270 N -2.90 4.53 -0.04 -3.49 2.01 -0.85 -4.48 115.64 110.42 2weu s THR 270 Ca 0.02 1.36 0.03 0.00 0.31 0.00 0.00 61.69 63.42 2weu s THR 270 Cb -0.01 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 2weu s THR 270 CO -0.07 0.24 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.09 2weu s THR 271 N -1.48 3.24 -0.32 -0.82 2.01 -0.70 -0.43 115.64 117.14 2weu s THR 271 Ca 0.42 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.72 2weu s THR 271 Cb -0.17 -2.31 0.10 0.00 0.01 0.00 0.00 72.50 70.12 2weu s THR 271 CO 0.22 0.54 0.05 0.00 -0.69 0.00 0.00 174.62 174.74 2weu s ALA 272 N -0.80 2.37 -0.26 7.40 0.00 0.19 -1.18 121.76 129.47 2weu s ALA 272 Ca 0.13 -2.13 -0.08 0.00 0.00 0.00 0.00 51.96 49.87 2weu s ALA 272 Cb -0.11 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 2weu s ALA 272 CO 0.02 -1.63 0.11 0.99 0.00 0.00 0.00 175.76 175.25 2weu s THR 273 N 1.18 4.58 0.18 0.00 2.01 -0.37 -1.92 115.64 121.31 2weu s THR 273 Ca 0.09 -0.11 -0.31 0.00 0.31 0.00 0.00 61.69 61.66 2weu s THR 273 Cb -0.18 -3.17 -0.10 0.00 0.01 0.00 0.00 72.50 69.05 2weu s THR 273 CO -0.13 0.29 1.55 0.00 -0.69 0.00 0.00 174.62 175.64 2weu s ALA 274 N 1.65 3.76 0.17 7.40 0.00 -0.25 -0.40 121.76 134.09 2weu s ALA 274 Ca 0.06 1.38 0.01 0.00 0.00 0.00 0.00 51.96 53.41 2weu s ALA 274 Cb -0.15 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.36 2weu s ALA 274 CO 0.06 -0.78 0.08 -1.33 0.00 0.00 0.00 175.76 173.78 2weu n MET 275 N 3.66 1.38 0.17 0.00 2.81 -0.19 -4.83 117.12 120.12 2weu n MET 275 Ca 0.13 -1.17 0.01 0.00 -1.81 0.00 0.00 57.70 54.86 2weu n MET 275 Cb 0.39 0.21 0.32 0.00 -0.71 0.00 0.00 33.22 33.43 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 0.30 0.04 -0.20 7.83 4.64 -2.00 -3.33 113.55 120.83 2weu h SER 276 Ca -0.13 -0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 60.98 2weu h SER 276 Cb 0.42 -0.01 -0.35 0.00 -0.31 0.00 0.00 62.40 62.14 2weu h SER 276 CO 0.20 0.43 -0.96 0.00 -0.87 0.00 0.00 176.83 175.64 2weu n ALA 277 N -2.47 2.61 0.00 5.18 0.00 -1.26 -4.54 120.51 120.03 2weu n ALA 277 Ca -0.02 -2.29 0.00 0.00 0.00 0.00 0.00 53.44 51.13 2weu n ALA 277 Cb 0.43 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.22 -0.43 3.31 0.00 0.00 -1.25 -3.34 105.19 103.26 2weu n GLY 278 Ca 0.02 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.18 -0.11 1.61 1.48 -0.52 -1.02 118.94 116.20 2weu s TRP 279 Ca 0.00 -0.07 0.03 0.00 -1.06 0.00 0.00 56.10 54.99 2weu s TRP 279 Cb 0.00 0.22 -0.01 0.00 -1.16 0.00 0.00 33.47 32.52 2weu s TRP 279 CO 0.00 -0.65 -0.20 1.41 -4.06 0.00 0.00 176.95 173.44 2weu s MET 280 N -3.46 3.15 0.24 3.25 1.75 0.47 -0.56 119.30 124.14 2weu s MET 280 Ca 0.01 -0.82 -0.14 0.00 -1.25 0.00 0.00 55.69 53.50 2weu s MET 280 Cb 0.01 -2.41 -0.08 0.00 2.84 0.00 0.00 34.83 35.20 2weu s MET 280 CO -0.09 0.19 0.64 1.67 -0.65 0.00 0.00 175.02 176.78 2weu s TRP 281 N 0.33 3.47 -0.17 4.11 -2.14 0.16 -1.24 118.94 123.46 2weu s TRP 281 Ca -0.16 1.10 -0.00 0.00 2.66 0.00 0.00 56.10 59.69 2weu s TRP 281 Cb -0.17 -2.42 0.04 0.00 -3.10 0.00 0.00 33.47 27.82 2weu s TRP 281 CO 0.08 0.25 -0.07 0.99 -2.66 0.00 0.00 176.95 175.54 2weu s THR 282 N -1.77 1.26 -0.32 0.66 2.01 -0.32 -1.75 115.64 115.41 2weu s THR 282 Ca 0.47 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 2weu s THR 282 Cb -0.12 -1.41 0.06 0.00 0.01 0.00 0.00 72.50 71.04 2weu s THR 282 CO 0.19 0.14 0.03 -0.63 -0.69 0.00 0.00 174.62 173.66 2weu s ILE 283 N 1.57 2.94 -0.43 1.82 1.01 -0.10 -1.72 121.20 126.29 2weu s ILE 283 Ca 0.00 -1.57 -0.29 0.00 0.00 0.00 0.00 60.65 58.79 2weu s ILE 283 Cb -0.15 -2.78 0.02 0.00 0.01 0.00 0.00 42.46 39.56 2weu s ILE 283 CO -0.08 -0.23 1.22 -2.84 0.00 0.00 0.00 174.94 173.01 2weu s PRO 284 N 1.20 3.73 0.52 2.79 0.02 -1.26 -1.39 135.00 140.61 2weu s PRO 284 Ca -0.02 0.76 0.05 0.00 0.02 0.00 0.00 61.00 61.81 2weu s PRO 284 Cb -0.20 -3.92 0.04 0.00 0.02 0.00 0.00 34.50 30.43 2weu s PRO 284 CO -0.02 -1.37 0.72 -0.51 -0.33 0.00 0.00 177.00 175.48 2weu s LEU 285 N 4.64 3.38 -0.20 -5.54 1.43 0.99 -4.37 118.68 119.01 2weu s LEU 285 Ca 0.52 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 53.04 2weu s LEU 285 Cb -0.10 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 2weu s LEU 285 CO 0.30 -1.08 1.61 0.12 0.23 0.00 0.00 176.35 177.53 2weu s PHE 286 N -2.63 2.12 0.00 0.29 2.19 0.58 -2.95 117.98 117.58 2weu s PHE 286 Ca 0.58 0.53 0.00 0.00 0.33 0.00 0.00 56.93 58.36 2weu s PHE 286 Cb -0.09 -3.96 0.00 0.00 -1.31 0.00 0.00 43.02 37.66 2weu s PHE 286 CO 0.37 -2.99 0.00 1.63 1.83 0.00 0.00 175.22 176.06 2weu n LYS 287 N 7.57 0.00 -3.43 10.12 4.76 -1.26 -4.88 118.16 131.04 2weu n LYS 287 Ca 0.18 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.50 2weu n LYS 287 Cb 0.45 -1.21 -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 -0.30 1.27 0.02 1.97 1.70 -1.15 -1.94 118.95 120.52 2weu s ARG 288 Ca 0.00 -0.47 -0.01 0.00 -0.47 0.00 0.00 55.73 54.78 2weu s ARG 288 Cb 0.00 0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 2weu s ARG 288 CO 0.00 -0.55 0.19 -0.51 -1.08 0.00 0.00 175.30 173.35 2weu s ASP 289 N -2.73 6.32 -0.21 -2.89 1.01 -0.08 -0.01 116.67 118.08 2weu s ASP 289 Ca 0.01 0.30 -0.09 0.00 0.71 0.00 0.00 52.55 53.48 2weu s ASP 289 Cb -0.01 -1.96 -0.05 0.00 1.01 0.00 0.00 42.92 41.92 2weu s ASP 289 CO -0.13 0.22 0.11 -0.83 0.21 0.00 0.00 175.17 174.76 2weu s GLY 290 N -2.17 1.97 -0.05 0.21 0.00 -0.48 -0.59 107.32 106.21 2weu s GLY 290 Ca 0.30 -0.78 0.05 0.00 0.00 0.00 0.00 44.72 44.30 2weu s GLY 290 CO 0.22 0.20 -0.21 -1.31 0.00 0.00 0.00 173.10 172.00 2weu s ASN 291 N 0.60 3.46 -0.08 1.64 0.01 -0.12 -0.92 114.94 119.51 2weu s ASN 291 Ca 0.06 -0.38 -0.05 0.00 -0.71 0.00 0.00 52.86 51.79 2weu s ASN 291 Cb -0.12 -0.72 0.04 0.00 0.41 0.00 0.00 41.25 40.86 2weu s ASN 291 CO 0.01 0.30 0.20 -0.83 -1.51 0.00 0.00 177.10 175.27 2weu s GLY 292 N -0.48 -0.10 -0.35 0.66 0.00 -0.72 0.08 107.32 106.41 2weu s GLY 292 Ca 0.06 0.80 -0.13 0.00 0.00 0.00 0.00 44.72 45.45 2weu s GLY 292 CO 0.01 1.01 0.24 -0.47 0.00 0.00 0.00 173.10 173.89 2weu s TYR 293 N 1.00 3.23 -0.22 1.90 6.14 0.09 0.39 117.35 129.87 2weu s TYR 293 Ca -0.07 -0.28 -0.11 0.00 0.64 0.00 0.00 57.07 57.24 2weu s TYR 293 Cb -0.09 -2.48 -0.05 0.00 0.42 0.00 0.00 41.96 39.76 2weu s TYR 293 CO -0.06 -0.39 0.18 0.08 0.64 0.00 0.00 175.55 176.00 2weu s VAL 294 N 1.71 5.35 0.20 3.14 1.01 0.27 -1.33 120.40 130.76 2weu s VAL 294 Ca 0.06 0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 2weu s VAL 294 Cb -0.18 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2weu s VAL 294 CO 0.10 0.36 0.37 -0.72 0.00 0.00 0.00 175.10 175.21 2weu s TYR 295 N 0.88 0.39 -0.23 5.22 -0.85 -0.25 -1.43 117.35 121.09 2weu s TYR 295 Ca 0.09 -0.74 -0.09 0.00 -0.52 0.00 0.00 57.07 55.81 2weu s TYR 295 Cb -0.13 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.21 2weu s TYR 295 CO 0.03 -0.84 0.12 0.45 -1.52 0.00 0.00 175.55 173.79 2weu s SER 296 N -2.99 5.76 0.00 -0.18 0.15 -1.21 -0.88 113.70 114.35 2weu s SER 296 Ca 0.20 0.02 0.16 0.00 0.70 0.00 0.00 55.95 57.03 2weu s SER 296 Cb 0.02 -2.03 0.75 0.00 -1.71 0.00 0.00 66.02 63.05 2weu s SER 296 CO 0.04 0.06 1.48 -0.90 1.20 0.00 0.00 173.24 175.12 2weu n ASP 297 N 4.28 0.00 0.26 5.45 5.68 -1.26 -1.97 116.55 129.00 2weu n ASP 297 Ca -0.16 0.24 0.09 0.00 -0.50 0.00 0.00 54.79 54.46 2weu n ASP 297 Cb 0.52 -0.37 0.68 0.00 -1.14 0.00 0.00 41.12 40.80 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 -3.33 114.58 114.50 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 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2weu h GLU 298 CO 0.00 0.01 -0.89 1.19 -1.00 0.00 0.00 179.01 178.33 2weu n PHE 299 N -4.40 0.00 -3.63 4.33 3.72 -0.83 -5.03 117.46 111.61 2weu n PHE 299 Ca -0.03 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.22 2weu n PHE 299 Cb 0.10 -0.09 -0.07 0.00 -0.94 0.00 0.00 39.48 38.48 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 -2.10 0.01 0.52 4.37 2.07 -1.16 -4.98 121.20 119.93 2weu s ILE 300 Ca -0.00 -0.08 -0.04 0.00 -1.41 0.00 0.00 60.65 59.12 2weu s ILE 300 Cb 0.04 -0.86 -0.01 0.00 0.13 0.00 0.00 42.46 41.77 2weu s ILE 300 CO 0.26 -0.04 0.81 -0.94 -1.91 0.00 0.00 174.94 173.12 2weu s SER 301 N -0.48 5.85 0.26 4.50 1.04 -1.26 -4.10 113.70 119.51 2weu s SER 301 Ca -0.06 0.67 -0.01 0.00 0.48 0.00 0.00 55.95 57.03 2weu s SER 301 Cb -0.03 -1.83 0.49 0.00 0.10 0.00 0.00 66.02 64.76 2weu s SER 301 CO 0.05 -0.83 1.81 -0.65 0.98 0.00 0.00 173.24 174.59 2weu h PRO 302 N 0.08 0.81 -0.62 4.02 0.11 -1.98 0.84 132.00 135.27 2weu h PRO 302 Ca -0.46 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 2weu h PRO 302 Cb 1.24 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2weu h PRO 302 CO 0.60 0.54 0.09 0.93 -0.21 0.00 0.00 178.00 179.94 2weu h GLU 303 N 0.84 1.03 -0.35 1.05 3.07 -1.99 0.02 114.58 118.24 2weu h GLU 303 Ca 0.45 -0.29 -0.16 0.00 -0.50 0.00 0.00 59.36 58.87 2weu h GLU 303 Cb 0.48 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 2weu h GLU 303 CO -0.28 0.97 -0.39 0.93 -1.40 0.00 0.00 179.01 178.84 2weu h GLU 304 N 0.94 0.89 -0.66 2.33 5.08 -1.82 -1.84 114.58 119.50 2weu h GLU 304 Ca 0.19 -0.49 -0.08 0.00 -1.00 0.00 0.00 59.36 57.98 2weu h GLU 304 Cb 0.45 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2weu h GLU 304 CO 0.01 1.13 0.09 0.00 -1.00 0.00 0.00 179.01 179.25 2weu h ALA 305 N 0.74 0.90 -0.65 3.43 0.00 -0.69 -0.51 119.26 122.50 2weu h ALA 305 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2weu h ALA 305 Cb 0.99 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2weu h ALA 305 CO 0.10 0.67 0.42 1.49 0.00 0.00 0.00 179.25 181.92 2weu h GLU 306 N 1.03 0.86 -0.58 0.00 4.81 -0.91 -0.93 114.58 118.87 2weu h GLU 306 Ca 0.20 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2weu h GLU 306 Cb 0.46 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 2weu h GLU 306 CO 0.02 0.59 0.30 -0.09 -0.73 0.00 0.00 179.01 179.09 2weu h ARG 307 N 0.88 0.82 -0.33 1.92 2.43 -0.90 -0.66 114.38 118.53 2weu h ARG 307 Ca 0.24 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2weu h ARG 307 Cb -0.08 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 2weu h ARG 307 CO -0.05 0.65 -0.00 1.49 -1.51 0.00 0.00 179.97 180.55 2weu h GLU 308 N 0.78 0.59 0.11 0.20 4.81 -0.90 -1.19 114.58 118.98 2weu h GLU 308 Ca 0.20 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2weu h GLU 308 Cb 0.08 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 2weu h GLU 308 CO -0.03 0.71 -0.32 1.25 -0.73 0.00 0.00 179.01 179.89 2weu h LEU 309 N 0.39 -0.93 -0.36 1.64 5.85 -1.06 -2.26 115.31 118.57 2weu h LEU 309 Ca 0.09 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.97 2weu h LEU 309 Cb 0.45 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 2weu h LEU 309 CO 0.02 -0.41 0.11 0.03 -0.34 0.00 0.00 178.44 177.85 2weu h ARG 310 N -0.54 0.25 -0.65 1.25 3.08 -1.07 -1.46 114.38 115.23 2weu h ARG 310 Ca 0.03 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.16 2weu h ARG 310 Cb 0.58 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 2weu h ARG 310 CO -0.19 0.16 0.43 0.77 -1.07 0.00 0.00 179.97 180.07 2weu h SER 311 N 0.26 0.45 0.19 7.04 0.02 -1.13 0.58 113.55 120.95 2weu h SER 311 Ca 0.17 0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 60.87 2weu h SER 311 Cb 0.16 -0.08 0.03 0.00 0.14 0.00 0.00 62.40 62.64 2weu h SER 311 CO -0.18 0.27 -1.13 0.74 -1.14 0.00 0.00 176.83 175.38 2weu h THR 312 N 0.50 1.38 0.00 -2.27 2.02 -0.71 -3.40 112.91 110.43 2weu h THR 312 Ca 0.30 -2.59 0.00 0.00 0.77 0.00 0.00 66.41 64.89 2weu h THR 312 Cb 0.51 3.11 0.00 0.00 -1.74 0.00 0.00 68.15 70.03 2weu h THR 312 CO -0.09 0.76 -0.81 1.33 0.37 0.00 0.00 175.52 177.08 2weu n VAL 313 N -3.94 0.00 -2.80 3.16 0.24 -0.64 -4.87 118.33 109.48 2weu n VAL 313 Ca -0.16 -0.20 -0.10 0.00 -2.04 0.00 0.00 64.34 61.84 2weu n VAL 313 Cb 0.95 0.62 0.07 0.00 -1.47 0.00 0.00 33.84 34.00 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 -1.43 0.90 -1.74 2.33 0.00 0.12 -5.07 120.51 115.63 2weu n ALA 314 Ca -0.00 -2.04 -0.42 0.00 0.00 0.00 0.00 53.44 50.98 2weu n ALA 314 Cb 0.07 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 2weu n ALA 314 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2weu n PRO 315 N 0.03 2.71 -0.98 0.00 -0.04 -0.74 -2.33 135.00 133.64 2weu n PRO 315 Ca 0.08 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.51 2weu n PRO 315 Cb 0.75 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 2weu n PRO 315 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2weu n GLY 316 N 2.61 0.70 2.74 0.55 0.00 -1.26 -4.95 105.19 105.58 2weu n GLY 316 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.36 4.36 0.00 1.61 5.12 -0.98 -4.73 116.66 119.68 2weu n ARG 317 Ca 0.00 -4.38 0.04 0.00 -1.93 0.00 0.00 57.85 51.59 2weu n ARG 317 Cb 0.02 -2.38 0.22 0.00 -1.16 0.00 0.00 32.46 29.16 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 -0.23 0.00 0.03 0.55 8.00 -1.26 -0.92 116.55 122.71 2weu n ASP 318 Ca 0.47 0.21 0.00 0.00 0.71 0.00 0.00 54.79 56.17 2weu n ASP 318 Cb 0.29 -0.32 0.31 0.00 -0.02 0.00 0.00 41.12 41.38 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 0.43 -3.13 -2.24 2.03 -1.99 -3.43 116.42 108.09 2weu h ASP 319 Ca 0.00 -0.09 -0.56 0.00 -0.73 0.00 0.00 57.03 55.65 2weu h ASP 319 Cb 0.10 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 38.45 2weu h ASP 319 CO 0.00 0.54 0.67 -0.76 -1.03 0.00 0.00 179.24 178.67 2weu s LEU 320 N -8.95 4.25 0.02 0.15 1.43 -0.10 -5.00 118.68 110.49 2weu s LEU 320 Ca -0.07 1.68 -0.23 0.00 -1.03 0.00 0.00 54.13 54.48 2weu s LEU 320 Cb 0.15 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 2weu s LEU 320 CO 0.76 -0.55 0.71 -0.70 0.23 0.00 0.00 176.35 176.80 2weu s GLU 321 N 2.29 4.44 0.19 1.70 2.12 -1.26 -5.03 118.70 123.15 2weu s GLU 321 Ca 0.52 0.95 -0.13 0.00 0.36 0.00 0.00 54.97 56.67 2weu s GLU 321 Cb -0.22 -3.36 -0.07 0.00 0.26 0.00 0.00 34.13 30.74 2weu s GLU 321 CO 0.19 0.29 0.58 0.00 -0.54 0.00 0.00 175.26 175.78 2weu s ALA 322 N -0.02 3.54 -0.10 6.30 0.00 -1.26 -4.49 121.76 125.72 2weu s ALA 322 Ca 0.36 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.21 2weu s ALA 322 Cb -0.20 -2.54 0.01 0.00 0.00 0.00 0.00 23.12 20.39 2weu s ALA 322 CO 0.21 0.45 -0.18 1.21 0.00 0.00 0.00 175.76 177.45 2weu s ASN 323 N -1.97 2.57 -0.03 0.00 3.84 -0.40 -4.95 114.94 114.01 2weu s ASN 323 Ca 0.43 -0.46 0.00 0.00 0.21 0.00 0.00 52.86 53.04 2weu s ASN 323 Cb -0.13 -1.17 -0.03 0.00 -0.55 0.00 0.00 41.25 39.36 2weu s ASN 323 CO 0.20 0.07 0.01 -1.00 -2.79 0.00 0.00 177.10 173.58 2weu s HIS 324 N 0.71 3.12 -0.01 0.43 3.76 -1.26 -0.95 115.29 121.09 2weu s HIS 324 Ca -0.12 0.13 -0.06 0.00 -0.15 0.00 0.00 55.06 54.87 2weu s HIS 324 Cb -0.16 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 31.81 2weu s HIS 324 CO 0.03 0.47 0.12 0.42 -0.85 0.00 0.00 174.74 174.92 2weu s ILE 325 N -1.02 0.06 -0.04 0.60 -1.09 -0.30 -5.01 121.20 114.40 2weu s ILE 325 Ca 0.17 -0.50 0.04 0.00 -2.23 0.00 0.00 60.65 58.14 2weu s ILE 325 Cb -0.11 -0.34 -0.03 0.00 -1.58 0.00 0.00 42.46 40.40 2weu s ILE 325 CO 0.07 -0.27 -0.14 -1.10 -1.23 0.00 0.00 174.94 172.27 2weu s GLN 326 N -0.93 2.47 -0.04 2.79 -0.21 -1.26 -1.18 119.66 121.30 2weu s GLN 326 Ca -0.10 -0.72 0.05 0.00 0.02 0.00 0.00 55.36 54.61 2weu s GLN 326 Cb -0.06 -2.37 -0.02 0.00 1.00 0.00 0.00 33.01 31.56 2weu s GLN 326 CO 0.01 0.62 -0.17 -1.64 -2.12 0.00 0.00 175.29 171.98 2weu s MET 327 N -0.82 2.39 -0.48 2.91 -1.94 0.98 -4.98 119.30 117.35 2weu s MET 327 Ca 0.12 -0.76 -0.17 0.00 -1.71 0.00 0.00 55.69 53.17 2weu s MET 327 Cb -0.11 -2.29 0.07 0.00 2.01 0.00 0.00 34.83 34.51 2weu s MET 327 CO 0.01 0.61 0.48 0.50 -0.01 0.00 0.00 175.02 176.61 2weu s ARG 328 N -0.73 3.03 -0.27 2.03 3.52 -1.26 -4.83 118.95 120.43 2weu s ARG 328 Ca 0.11 -1.17 -0.12 0.00 -0.13 0.00 0.00 55.73 54.42 2weu s ARG 328 Cb -0.10 -4.12 -0.05 0.00 -1.56 0.00 0.00 34.95 29.12 2weu s ARG 328 CO 0.00 -1.09 0.22 0.42 -0.81 0.00 0.00 175.30 174.04 2weu s ILE 329 N 2.01 5.29 -5.00 4.11 -1.09 -1.26 -4.38 121.20 120.88 2weu s ILE 329 Ca 0.08 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 2weu s ILE 329 Cb -0.22 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 2weu s ILE 329 CO 0.09 0.25 0.00 0.61 -1.23 0.00 0.00 174.94 174.66 2weu n GLY 330 N 4.86 0.56 3.21 6.18 0.00 -0.34 -1.21 105.19 118.44 2weu n GLY 330 Ca -0.13 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 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 0.72 0.52 1.61 1.70 -0.63 -1.07 118.95 119.79 2weu s ARG 331 Ca 0.00 -0.54 -0.21 0.00 -0.47 0.00 0.00 55.73 54.50 2weu s ARG 331 Cb 0.00 0.31 -0.06 0.00 -0.57 0.00 0.00 34.95 34.63 2weu s ARG 331 CO 0.00 -0.22 1.21 -0.80 -1.08 0.00 0.00 175.30 174.42 2weu s ASN 332 N -1.99 5.72 0.24 -2.89 0.01 -0.04 -0.13 114.94 115.87 2weu s ASN 332 Ca -0.06 2.41 -0.05 0.00 -0.71 0.00 0.00 52.86 54.45 2weu s ASN 332 Cb -0.02 -2.61 0.36 0.00 0.41 0.00 0.00 41.25 39.40 2weu s ASN 332 CO -0.03 -1.24 1.84 -0.33 -1.51 0.00 0.00 177.10 175.84 2weu h GLU 333 N 1.58 0.91 -4.40 -0.60 4.39 -1.20 -3.42 114.58 111.85 2weu h GLU 333 Ca -0.50 -0.05 -0.39 0.00 0.34 0.00 0.00 59.36 58.76 2weu h GLU 333 Cb 1.27 -0.21 -0.31 0.00 -0.10 0.00 0.00 28.75 29.41 2weu h GLU 333 CO 0.58 0.60 -0.77 1.03 -1.16 0.00 0.00 179.01 179.29 2weu s ARG 334 N -6.05 0.74 0.01 2.33 0.52 -1.26 -4.93 118.95 110.30 2weu s ARG 334 Ca -0.12 -0.23 0.23 0.00 -0.52 0.00 0.00 55.73 55.09 2weu s ARG 334 Cb 0.19 -0.72 0.16 0.00 0.52 0.00 0.00 34.95 35.10 2weu s ARG 334 CO 0.79 0.08 1.16 0.25 0.02 0.00 0.00 175.30 177.60 2weu n THR 335 N 3.32 0.02 -4.00 0.02 -2.24 -1.26 -4.76 114.28 105.38 2weu n THR 335 Ca -0.18 -0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.26 2weu n THR 335 Cb 0.55 0.54 -0.15 0.00 -2.10 0.00 0.00 70.33 69.17 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 -3.02 2.77 -0.13 4.78 -0.11 -1.26 -0.48 118.94 121.48 2weu s TRP 336 Ca 0.09 -1.99 0.02 0.00 1.22 0.00 0.00 56.10 55.44 2weu s TRP 336 Cb 0.17 -1.74 0.01 0.00 -1.50 0.00 0.00 33.47 30.41 2weu s TRP 336 CO 0.78 -0.82 -0.18 0.42 -4.62 0.00 0.00 176.95 172.53 2weu s ILE 337 N 1.27 1.80 0.00 5.86 1.01 -0.31 -4.98 121.20 125.85 2weu s ILE 337 Ca -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.77 2weu s ILE 337 Cb -0.19 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.65 2weu s ILE 337 CO -0.06 0.50 0.00 0.59 0.00 0.00 0.00 174.94 175.97 2weu n ASN 338 N 4.26 0.00 -2.02 3.58 3.02 -1.26 -1.26 115.26 121.58 2weu n ASN 338 Ca -0.19 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.13 2weu n ASN 338 Cb 0.51 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.82 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 5.99 4.70 -3.98 6.41 6.94 -1.26 -4.93 115.26 129.13 2weu n ASN 339 Ca 0.00 -3.71 -0.24 0.00 -0.02 0.00 0.00 54.58 50.61 2weu n ASN 339 Cb 0.00 -0.80 -0.17 0.00 -2.36 0.00 0.00 39.78 36.45 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 0.90 1.89 0.01 0.00 1.01 -0.39 -1.17 120.40 122.66 2weu s VAL 341 Ca -0.10 -0.91 -0.22 0.00 0.00 0.00 0.00 61.98 60.75 2weu s VAL 341 Cb -0.15 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 2weu s VAL 341 CO 0.01 0.52 0.64 0.00 0.00 0.00 0.00 175.10 176.27 2weu s ALA 342 N 0.54 3.46 -0.03 5.51 0.00 0.36 -0.73 121.76 130.87 2weu s ALA 342 Ca -0.15 0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.91 2weu s ALA 342 Cb -0.17 -2.80 0.02 0.00 0.00 0.00 0.00 23.12 20.17 2weu s ALA 342 CO 0.05 0.14 -0.04 0.08 0.00 0.00 0.00 175.76 176.00 2weu s VAL 343 N -0.16 0.45 0.00 0.00 1.01 -0.47 -4.66 120.40 116.57 2weu s VAL 343 Ca 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2weu s VAL 343 Cb -0.19 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.72 2weu s VAL 343 CO 0.19 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2weu n GLY 344 N 3.87 0.10 0.26 4.51 0.00 -1.26 -4.33 105.19 108.34 2weu n GLY 344 Ca -0.24 -1.40 0.11 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.90 0.99 4.07 -1.87 0.84 115.31 117.44 2weu h LEU 345 Ca 0.00 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.97 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 0.09 0.09 0.77 -1.08 0.00 0.00 178.44 178.31 2weu h SER 346 N 0.00 0.12 0.09 -0.43 4.64 -1.71 -3.22 113.55 113.04 2weu h SER 346 Ca -0.00 -0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 2weu h SER 346 Cb 0.21 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2weu h SER 346 CO 0.01 0.09 -1.47 0.00 -0.87 0.00 0.00 176.83 174.59 2weu h ALA 347 N 1.92 0.25 -1.59 5.18 0.00 -1.12 -3.45 119.26 120.46 2weu h ALA 347 Ca 0.05 -1.17 0.24 0.00 0.00 0.00 0.00 54.91 54.03 2weu h ALA 347 Cb 0.04 0.58 -0.18 0.00 0.00 0.00 0.00 17.79 18.22 2weu h ALA 347 CO -0.01 0.88 0.77 0.00 0.00 0.00 0.00 179.25 180.89 2weu s ALA 348 N -2.46 -2.04 -0.28 0.00 0.00 -0.83 -0.86 121.76 115.29 2weu s ALA 348 Ca -0.22 1.49 -0.20 0.00 0.00 0.00 0.00 51.96 53.02 2weu s ALA 348 Cb 0.05 -0.03 0.11 0.00 0.00 0.00 0.00 23.12 23.25 2weu s ALA 348 CO 0.72 -0.63 0.86 0.12 0.00 0.00 0.00 175.76 176.84 2weu s PHE 349 N -2.51 -0.72 0.27 0.00 5.36 -0.23 -3.98 117.98 116.17 2weu s PHE 349 Ca 0.09 1.57 0.09 0.00 -0.96 0.00 0.00 56.93 57.73 2weu s PHE 349 Cb -0.01 0.41 -0.05 0.00 -0.34 0.00 0.00 43.02 43.03 2weu s PHE 349 CO -0.05 -0.35 -0.13 0.14 -1.46 0.00 0.00 175.22 173.36 2weu s VAL 350 N 0.90 2.04 0.60 3.12 -7.23 -1.26 -1.20 120.40 117.37 2weu s VAL 350 Ca -0.04 -2.25 -0.19 0.00 -1.81 0.00 0.00 61.98 57.69 2weu s VAL 350 Cb -0.05 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 2weu s VAL 350 CO -0.10 -0.40 1.16 -1.84 -0.31 0.00 0.00 175.10 173.61 2weu n GLU 351 N -0.57 1.14 -0.28 4.82 0.28 -1.26 -4.85 120.64 119.92 2weu n GLU 351 Ca -0.06 0.44 0.00 0.00 -0.16 0.00 0.00 57.16 57.38 2weu n GLU 351 Cb 0.61 -2.37 0.00 0.00 1.43 0.00 0.00 31.44 31.11 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 -1.30 0.96 0.21 3.44 -0.04 -1.26 -4.47 135.00 132.55 2weu n PRO 352 Ca 0.14 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.65 2weu n PRO 352 Cb 0.47 -1.02 0.50 0.00 -0.04 0.00 0.00 33.50 33.41 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 2.20 0.03 -2.98 1.53 5.85 -2.03 -2.52 115.31 117.39 2weu h LEU 353 Ca 0.00 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2weu h LEU 353 Cb 0.96 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.91 2weu h LEU 353 CO 0.00 0.19 -0.57 -0.62 -0.34 0.00 0.00 178.44 177.10 2weu n GLU 354 N -4.34 1.21 -3.70 1.25 -0.58 -1.26 -5.01 120.64 108.22 2weu n GLU 354 Ca -0.02 -2.94 -0.23 0.00 -0.42 0.00 0.00 57.16 53.55 2weu n GLU 354 Cb 0.23 -1.26 0.03 0.00 -0.57 0.00 0.00 31.44 29.87 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 -0.79 -1.96 -0.14 1.62 7.64 -0.95 -4.91 113.62 114.13 2weu n SER 355 Ca 0.16 -0.86 0.11 0.00 1.01 0.00 0.00 58.87 59.28 2weu n SER 355 Cb 0.78 -3.92 -0.03 0.00 -1.01 0.00 0.00 64.21 60.03 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 -4.21 0.00 0.10 0.44 -2.24 -1.26 -4.37 114.28 102.74 2weu n THR 356 Ca -0.26 -0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.33 2weu n THR 356 Cb 0.66 0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 69.80 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 4.96 -0.34 1.13 3.38 0.00 -1.91 -0.09 103.07 110.20 2weu h GLY 357 Ca 0.00 0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.48 2weu h GLY 357 CO 0.00 -0.18 0.10 -2.22 0.00 0.00 0.00 176.54 174.24 2weu h ILE 358 N -0.37 1.26 -0.55 2.60 1.08 -1.84 -2.53 117.51 117.16 2weu h ILE 358 Ca 0.03 -1.03 0.04 0.00 -0.39 0.00 0.00 64.86 63.51 2weu h ILE 358 Cb 0.39 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.75 2weu h ILE 358 CO -0.11 0.38 0.30 0.15 -0.69 0.00 0.00 178.15 178.18 2weu h PHE 359 N 0.99 0.56 -0.77 1.37 3.57 -1.74 0.17 116.94 121.10 2weu h PHE 359 Ca 0.20 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2weu h PHE 359 Cb 0.44 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 2weu h PHE 359 CO 0.03 0.29 0.44 0.74 -2.23 0.00 0.00 178.31 177.58 2weu h PHE 360 N 0.59 1.02 -0.15 0.41 0.04 -0.62 -0.97 116.94 117.26 2weu h PHE 360 Ca 0.24 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.94 2weu h PHE 360 Cb 0.11 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 37.92 2weu h PHE 360 CO -0.08 0.69 -0.15 0.82 -0.60 0.00 0.00 178.31 178.99 2weu h ILE 361 N 1.06 1.35 0.11 -0.55 2.04 -1.04 -2.49 117.51 117.99 2weu h ILE 361 Ca 0.27 -1.32 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 2weu h ILE 361 Cb -0.01 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2weu h ILE 361 CO -0.05 0.39 -0.07 -0.61 0.00 0.00 0.00 178.15 177.81 2weu h GLN 362 N -0.01 -0.16 -0.64 2.37 4.15 -0.28 -1.53 115.11 119.00 2weu h GLN 362 Ca 0.02 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 2weu h GLN 362 Cb 0.69 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.38 2weu h GLN 362 CO 0.04 -0.11 0.35 1.25 -1.93 0.00 0.00 178.83 178.43 2weu h HIS 363 N -0.17 0.88 -0.93 3.99 2.76 -1.28 0.46 115.15 120.86 2weu h HIS 363 Ca -0.01 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.18 2weu h HIS 363 Cb 0.14 -0.28 -0.06 0.00 1.55 0.00 0.00 27.41 28.76 2weu h HIS 363 CO -0.08 0.63 0.60 0.00 -1.30 0.00 0.00 177.93 177.78 2weu h ALA 364 N 1.17 1.25 -0.07 5.26 0.00 -1.28 -0.68 119.26 124.91 2weu h ALA 364 Ca 0.23 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2weu h ALA 364 Cb 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2weu h ALA 364 CO -0.04 0.45 -0.27 0.82 0.00 0.00 0.00 179.25 180.21 2weu h ILE 365 N 1.15 1.42 -0.82 0.00 2.04 -0.88 -1.55 117.51 118.88 2weu h ILE 365 Ca 0.38 -1.66 -0.03 0.00 1.00 0.00 0.00 64.86 64.55 2weu h ILE 365 Cb 0.05 2.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 2weu h ILE 365 CO -0.13 0.47 0.39 -0.33 0.00 0.00 0.00 178.15 178.55 2weu h GLU 366 N -0.18 1.18 0.00 2.37 5.08 -0.84 -1.79 114.58 120.41 2weu h GLU 366 Ca -0.01 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 2weu h GLU 366 Cb 0.91 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2weu h GLU 366 CO 0.06 0.91 -0.24 1.96 -1.00 0.00 0.00 179.01 180.70 2weu h GLN 367 N 1.16 0.00 -0.21 2.33 1.08 -1.17 -1.98 115.11 116.34 2weu h GLN 367 Ca 0.28 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.39 2weu h GLN 367 Cb 0.12 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2weu h GLN 367 CO -0.04 0.24 -0.21 1.25 -0.95 0.00 0.00 178.83 179.13 2weu h LEU 368 N 0.00 0.55 -0.27 1.46 5.85 -0.58 0.17 115.31 122.49 2weu h LEU 368 Ca -0.00 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.27 2weu h LEU 368 Cb 0.86 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 2weu h LEU 368 CO 0.03 0.91 0.07 0.58 -0.34 0.00 0.00 178.44 179.69 2weu h VAL 369 N 0.19 0.89 -0.67 1.05 2.07 -1.21 0.27 116.25 118.85 2weu h VAL 369 Ca 0.03 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2weu h VAL 369 Cb 0.76 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 2weu h VAL 369 CO 0.05 0.03 0.44 0.11 0.02 0.00 0.00 177.57 178.22 2weu h LYS 370 N 0.17 0.78 -0.46 1.57 1.57 -1.15 -2.31 116.57 116.74 2weu h LYS 370 Ca 0.12 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2weu h LYS 370 Cb 0.11 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2weu h LYS 370 CO -0.15 0.52 0.04 0.72 -0.57 0.00 0.00 179.45 180.01 2weu n HIS 371 N -4.46 1.62 -1.71 -1.35 8.25 0.57 -5.02 115.22 113.12 2weu n HIS 371 Ca 0.08 -0.92 -0.43 0.00 -0.26 0.00 0.00 57.72 56.19 2weu n HIS 371 Cb 0.12 -0.46 -0.02 0.00 1.12 0.00 0.00 29.99 30.75 2weu n HIS 371 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2weu n PHE 372 N -0.08 2.48 -2.64 4.41 7.35 0.94 -4.89 117.46 125.02 2weu n PHE 372 Ca 0.28 0.37 -0.36 0.00 -0.76 0.00 0.00 57.45 56.98 2weu n PHE 372 Cb 1.10 -2.51 -0.05 0.00 0.35 0.00 0.00 39.48 38.36 2weu n PHE 372 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2weu s PRO 373 N -0.64 4.30 0.85 -7.13 0.04 -1.26 -5.07 135.00 126.09 2weu s PRO 373 Ca 0.65 1.42 -0.07 0.00 0.04 0.00 0.00 61.00 63.03 2weu s PRO 373 Cb -0.57 -2.58 0.18 0.00 0.04 0.00 0.00 34.50 31.56 2weu s PRO 373 CO 0.51 -0.00 1.17 0.20 0.04 0.00 0.00 177.00 178.91 2weu s GLY 374 N -1.64 1.78 0.53 0.56 0.00 -1.26 -4.40 107.32 102.89 2weu s GLY 374 Ca 0.56 -1.64 0.19 0.00 0.00 0.00 0.00 44.72 43.83 2weu s GLY 374 CO 0.25 -0.92 2.17 1.05 0.00 0.00 0.00 173.10 175.64 2weu h GLU 375 N -1.11 0.00 -4.95 2.90 4.11 -1.95 -3.33 114.58 110.26 2weu h GLU 375 Ca -0.39 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.36 2weu h GLU 375 Cb 1.24 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.31 2weu h GLU 375 CO 0.35 0.01 -0.06 1.03 0.07 0.00 0.00 179.01 180.41 2weu s ARG 376 N -4.93 3.13 0.39 1.06 0.52 -1.26 -4.98 118.95 112.87 2weu s ARG 376 Ca -0.05 -0.79 -0.24 0.00 -0.52 0.00 0.00 55.73 54.12 2weu s ARG 376 Cb 0.16 -4.03 -0.09 0.00 0.52 0.00 0.00 34.95 31.52 2weu s ARG 376 CO 0.64 -1.04 1.07 -1.58 0.02 0.00 0.00 175.30 174.41 2weu s TRP 377 N 2.41 3.25 -0.32 -0.53 0.52 -1.25 -5.00 118.94 118.02 2weu s TRP 377 Ca 0.14 1.64 0.02 0.00 0.02 0.00 0.00 56.10 57.91 2weu s TRP 377 Cb -0.18 -3.18 0.10 0.00 -1.15 0.00 0.00 33.47 29.06 2weu s TRP 377 CO 0.13 -0.73 0.06 0.34 0.02 0.00 0.00 176.95 176.78 2weu s ASP 378 N -1.46 4.37 0.51 2.95 -1.08 -1.26 -5.00 116.67 115.69 2weu s ASP 378 Ca 0.57 -1.85 0.20 0.00 -0.52 0.00 0.00 52.55 50.95 2weu s ASP 378 Cb -0.24 -1.25 1.28 0.00 -1.46 0.00 0.00 42.92 41.25 2weu s ASP 378 CO 0.30 -0.38 2.03 -0.65 0.52 0.00 0.00 175.17 176.98 2weu h PRO 379 N 7.85 0.09 -0.26 4.34 0.11 -1.98 -1.09 132.00 141.05 2weu h PRO 379 Ca -0.09 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.89 2weu h PRO 379 Cb 1.02 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 2weu h PRO 379 CO 0.49 0.06 -0.32 0.28 -0.21 0.00 0.00 178.00 178.30 2weu h VAL 380 N 0.09 1.31 -0.38 3.15 2.07 -1.99 0.02 116.25 120.52 2weu h VAL 380 Ca 0.20 -1.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 2weu h VAL 380 Cb 0.66 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 2weu h VAL 380 CO -0.02 0.48 0.11 0.25 0.02 0.00 0.00 177.57 178.41 2weu h LEU 381 N 0.41 0.56 -0.56 2.57 5.85 -1.86 -2.00 115.31 120.29 2weu h LEU 381 Ca 0.04 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2weu h LEU 381 Cb 0.89 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 2weu h LEU 381 CO 0.08 0.63 0.34 0.40 -0.34 0.00 0.00 178.44 179.54 2weu h ILE 382 N 0.47 1.16 -0.48 4.05 2.04 -1.16 -1.54 117.51 122.06 2weu h ILE 382 Ca 0.12 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.68 2weu h ILE 382 Cb 0.27 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 2weu h ILE 382 CO -0.00 0.17 0.20 -1.28 0.00 0.00 0.00 178.15 177.23 2weu h SER 383 N 0.75 0.24 -0.64 1.72 0.87 -0.77 -0.53 113.55 115.20 2weu h SER 383 Ca 0.20 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 2weu h SER 383 Cb -0.03 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 2weu h SER 383 CO -0.04 0.17 0.36 0.00 -0.53 0.00 0.00 176.83 176.79 2weu h ALA 384 N 1.30 0.81 -0.18 6.23 0.00 -0.90 0.24 119.26 126.76 2weu h ALA 384 Ca 0.22 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2weu h ALA 384 Cb 0.19 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2weu h ALA 384 CO -0.20 0.32 -0.05 -0.92 0.00 0.00 0.00 179.25 178.40 2weu h TYR 385 N 0.86 -0.11 -0.84 0.00 3.20 -0.70 -2.14 116.97 117.25 2weu h TYR 385 Ca 0.22 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 2weu h TYR 385 Cb 0.02 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 2weu h TYR 385 CO -0.01 -0.09 0.46 -0.91 -1.64 0.00 0.00 178.16 175.97 2weu h ASN 386 N -0.01 1.05 -0.36 -2.11 2.35 -0.44 -0.86 115.58 115.20 2weu h ASN 386 Ca 0.09 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2weu h ASN 386 Cb 0.15 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 2weu h ASN 386 CO -0.19 0.85 0.23 -0.08 -1.65 0.00 0.00 177.43 176.59 2weu h GLU 387 N 1.17 0.49 -0.49 0.81 4.81 -0.85 -1.66 114.58 118.86 2weu h GLU 387 Ca 0.30 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 2weu h GLU 387 Cb 0.03 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2weu h GLU 387 CO -0.05 0.35 0.32 0.00 -0.73 0.00 0.00 179.01 178.90 2weu h ARG 388 N 0.48 0.64 -0.25 1.92 3.08 -0.85 -1.05 114.38 118.35 2weu h ARG 388 Ca 0.13 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 2weu h ARG 388 Cb -0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2weu h ARG 388 CO -0.03 0.42 -0.23 0.52 -1.07 0.00 0.00 179.97 179.59 2weu h MET 389 N 0.65 0.46 -0.15 0.04 2.86 -1.01 -1.91 114.93 115.87 2weu h MET 389 Ca 0.18 -0.16 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 2weu h MET 389 Cb -0.07 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.56 2weu h MET 389 CO -0.04 0.66 -0.39 0.00 1.06 0.00 0.00 176.91 178.19 2weu h ALA 390 N 1.35 0.25 -0.91 6.32 0.00 -1.06 -2.94 119.26 122.27 2weu h ALA 390 Ca 0.06 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.60 2weu h ALA 390 Cb 0.63 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 2weu h ALA 390 CO 0.04 0.34 0.56 0.45 0.00 0.00 0.00 179.25 180.65 2weu h HIS 391 N 0.16 1.04 -0.09 0.00 -0.00 -1.12 -0.70 115.15 114.44 2weu h HIS 391 Ca -0.01 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.43 2weu h HIS 391 Cb 1.00 -0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 28.04 2weu h HIS 391 CO 0.10 0.50 -0.13 1.98 -0.00 0.00 0.00 177.93 180.38 2weu h MET 392 N 1.00 -0.17 0.04 2.45 -1.53 -1.25 -0.53 114.93 114.94 2weu h MET 392 Ca 0.41 0.01 -0.27 0.00 -3.44 0.00 0.00 59.70 56.40 2weu h MET 392 Cb 0.24 0.04 0.02 0.00 -0.55 0.00 0.00 31.60 31.35 2weu h MET 392 CO -0.20 -0.11 -1.10 0.28 0.14 0.00 0.00 176.91 175.92 2weu h VAL 393 N -0.18 1.29 -0.64 -5.77 2.07 -1.33 -2.86 116.25 108.83 2weu h VAL 393 Ca 0.08 -2.34 -0.06 0.00 0.82 0.00 0.00 66.70 65.20 2weu h VAL 393 Cb 0.28 2.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 2weu h VAL 393 CO -0.20 0.72 0.16 0.44 0.02 0.00 0.00 177.57 178.71 2weu h ASP 394 N 0.34 0.95 -0.23 0.57 3.32 -0.99 0.23 116.42 120.61 2weu h ASP 394 Ca -0.14 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 2weu h ASP 394 Cb 1.76 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 41.05 2weu h ASP 394 CO 0.21 0.92 0.15 1.23 -1.72 0.00 0.00 179.24 180.03 2weu h GLY 395 N 1.05 0.34 1.19 2.75 0.00 -1.11 -1.62 103.07 105.66 2weu h GLY 395 Ca 0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 2weu h GLY 395 CO 0.00 0.13 0.23 -2.08 0.00 0.00 0.00 176.54 174.82 2weu h VAL 396 N 0.30 1.24 -0.24 4.60 2.07 -1.17 -1.98 116.25 121.07 2weu h VAL 396 Ca 0.08 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.82 2weu h VAL 396 Cb 0.00 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 2weu h VAL 396 CO -0.02 0.32 0.02 0.50 0.02 0.00 0.00 177.57 178.41 2weu h LYS 397 N 0.99 0.09 -0.42 1.57 3.64 -0.27 0.18 116.57 122.36 2weu h LYS 397 Ca 0.22 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 2weu h LYS 397 Cb 0.25 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2weu h LYS 397 CO -0.01 0.06 0.25 0.93 -2.27 0.00 0.00 179.45 178.41 2weu h GLU 398 N 0.10 0.49 -0.59 1.90 5.08 -1.08 -1.42 114.58 119.06 2weu h GLU 398 Ca 0.11 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2weu h GLU 398 Cb 0.13 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2weu h GLU 398 CO -0.18 0.33 0.33 0.35 -1.00 0.00 0.00 179.01 178.84 2weu h PHE 399 N 0.51 0.62 -0.54 4.33 3.57 -0.94 -1.50 116.94 122.98 2weu h PHE 399 Ca 0.16 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 2weu h PHE 399 Cb -0.00 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 2weu h PHE 399 CO -0.07 0.32 0.09 -0.07 -2.23 0.00 0.00 178.31 176.36 2weu h LEU 400 N 0.64 0.86 -1.09 0.59 3.38 -0.33 -2.88 115.31 116.49 2weu h LEU 400 Ca 0.25 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2weu h LEU 400 Cb 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2weu h LEU 400 CO -0.14 0.90 0.24 0.58 0.09 0.00 0.00 178.44 180.11 2weu h VAL 401 N 0.79 1.22 -0.05 1.22 2.07 -0.99 -0.18 116.25 120.33 2weu h VAL 401 Ca 0.17 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 67.02 2weu h VAL 401 Cb 0.40 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2weu h VAL 401 CO 0.01 0.27 0.05 0.25 0.02 0.00 0.00 177.57 178.17 2weu h LEU 402 N 0.87 0.00 -0.23 2.57 5.85 -1.07 -0.93 115.31 122.37 2weu h LEU 402 Ca 0.21 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2weu h LEU 402 Cb 0.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2weu h LEU 402 CO -0.02 0.00 0.07 0.45 -0.34 0.00 0.00 178.44 178.60 2weu h HIS 403 N 0.00 0.37 -0.17 1.25 3.86 -0.86 -0.74 115.15 118.86 2weu h HIS 403 Ca 0.02 -0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.07 2weu h HIS 403 Cb 0.12 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 2weu h HIS 403 CO 0.00 0.44 -0.45 1.88 0.86 0.00 0.00 177.93 180.65 2weu h TYR 404 N 0.20 0.51 -0.03 2.45 0.05 -1.24 -2.05 116.97 116.85 2weu h TYR 404 Ca 0.07 -0.15 -0.16 0.00 0.05 0.00 0.00 58.73 58.54 2weu h TYR 404 Cb 0.24 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 2weu h TYR 404 CO 0.00 0.80 -0.69 0.87 -1.05 0.00 0.00 178.16 178.10 2weu h LYS 405 N 0.34 0.15 0.00 4.88 1.79 -1.17 -3.27 116.57 119.28 2weu h LYS 405 Ca 0.02 -0.12 -0.17 0.00 -2.18 0.00 0.00 60.65 58.20 2weu h LYS 405 Cb 0.93 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.58 2weu h LYS 405 CO 0.08 0.78 -0.83 0.78 -1.08 0.00 0.00 179.45 179.18 2weu h GLY 406 N 1.75 0.00 -4.82 3.86 0.00 -0.95 -3.46 103.07 99.45 2weu h GLY 406 Ca -0.02 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.74 2weu h GLY 406 CO 0.10 0.00 0.74 0.00 0.00 0.00 0.00 176.54 177.38 2weu n ALA 407 N -2.31 1.37 0.34 3.60 0.00 -0.79 -4.14 120.51 118.59 2weu n ALA 407 Ca 0.01 0.43 0.11 0.00 0.00 0.00 0.00 53.44 53.99 2weu n ALA 407 Cb 0.87 -2.33 -0.08 0.00 0.00 0.00 0.00 19.45 17.91 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 2.87 0.43 -1.92 0.00 1.13 -1.06 -4.94 117.38 113.89 2weu n GLN 408 Ca 0.15 -0.06 -0.40 0.00 -1.94 0.00 0.00 57.00 54.74 2weu n GLN 408 Cb 0.30 -1.58 0.00 0.00 0.11 0.00 0.00 30.24 29.08 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 -3.32 3.86 0.00 -1.09 1.70 -1.07 -4.93 118.95 114.10 2weu s ARG 409 Ca -0.01 2.30 0.22 0.00 -0.47 0.00 0.00 55.73 57.77 2weu s ARG 409 Cb 0.14 -2.73 0.37 0.00 -0.57 0.00 0.00 34.95 32.16 2weu s ARG 409 CO 0.85 -0.64 1.14 0.39 -1.08 0.00 0.00 175.30 175.97 2weu n GLU 410 N 0.01 0.00 0.10 3.89 1.02 -1.26 -4.71 120.64 119.69 2weu n GLU 410 Ca 0.04 -1.85 0.13 0.00 -0.02 0.00 0.00 57.16 55.46 2weu n GLU 410 Cb 0.42 0.01 0.30 0.00 -0.02 0.00 0.00 31.44 32.16 2weu n GLU 410 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2weu h ASP 411 N 0.85 0.00 -3.35 1.62 2.03 -1.91 -3.41 116.42 112.26 2weu h ASP 411 Ca -0.24 -0.07 -0.46 0.00 -0.73 0.00 0.00 57.03 55.54 2weu h ASP 411 Cb 1.83 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 40.19 2weu h ASP 411 CO 0.06 0.03 -0.63 0.42 -1.03 0.00 0.00 179.24 178.10 2weu s THR 412 N -3.14 1.21 0.26 1.15 -4.23 -1.26 -5.03 115.64 104.61 2weu s THR 412 Ca 0.09 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 58.55 2weu s THR 412 Cb 0.12 -2.66 0.26 0.00 1.34 0.00 0.00 72.50 71.56 2weu s THR 412 CO 0.65 -0.10 1.88 -0.65 -0.54 0.00 0.00 174.62 175.85 2weu h PRO 413 N 2.21 1.11 -0.10 3.99 0.11 -1.90 -1.28 132.00 136.15 2weu h PRO 413 Ca -0.40 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 65.68 2weu h PRO 413 Cb 1.24 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 2weu h PRO 413 CO 0.68 0.73 -0.15 -0.92 -0.21 0.00 0.00 178.00 178.13 2weu h TYR 414 N 1.14 -0.39 -0.04 0.65 3.20 -1.94 0.45 116.97 120.05 2weu h TYR 414 Ca 0.43 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.20 2weu h TYR 414 Cb 0.19 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2weu h TYR 414 CO -0.01 -0.22 -0.54 -1.49 -1.64 0.00 0.00 178.16 174.26 2weu h TRP 415 N -0.20 0.13 -0.54 -3.82 4.06 -1.74 0.14 115.95 113.97 2weu h TRP 415 Ca 0.08 -0.05 -0.11 0.00 2.06 0.00 0.00 58.89 60.88 2weu h TRP 415 Cb 0.32 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.44 2weu h TRP 415 CO -0.25 0.63 -0.08 0.87 -3.56 0.00 0.00 178.44 176.05 2weu h LYS 416 N 0.08 1.00 0.00 0.49 1.57 -0.96 -3.01 116.57 115.74 2weu h LYS 416 Ca -0.00 -0.35 -0.11 0.00 -1.87 0.00 0.00 60.65 58.32 2weu h LYS 416 Cb 0.99 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 2weu h LYS 416 CO 0.08 1.03 -0.53 0.00 -0.57 0.00 0.00 179.45 179.45 2weu h ALA 417 N 1.00 1.07 -0.79 3.86 0.00 -0.33 -2.99 119.26 121.07 2weu h ALA 417 Ca 0.15 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.59 2weu h ALA 417 Cb 0.63 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2weu h ALA 417 CO 0.04 0.66 0.52 0.00 0.00 0.00 0.00 179.25 180.47 2weu h ALA 418 N 1.47 1.02 -0.90 0.00 0.00 -0.85 -1.04 119.26 118.96 2weu h ALA 418 Ca -0.01 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2weu h ALA 418 Cb 0.97 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 2weu h ALA 418 CO 0.07 0.37 0.58 0.87 0.00 0.00 0.00 179.25 181.14 2weu h LYS 419 N 1.03 1.07 -0.02 0.00 1.79 -1.44 -3.19 116.57 115.82 2weu h LYS 419 Ca 0.30 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 2weu h LYS 419 Cb -0.06 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.34 2weu h LYS 419 CO -0.09 0.71 -0.25 0.25 -1.08 0.00 0.00 179.45 179.00 2weu n THR 420 N -4.53 0.00 -1.73 -0.16 -2.24 -1.09 -5.01 114.28 99.52 2weu n THR 420 Ca 0.12 -0.38 -0.38 0.00 -2.27 0.00 0.00 64.05 61.15 2weu n THR 420 Cb 0.11 1.27 0.06 0.00 -2.10 0.00 0.00 70.33 69.68 2weu n THR 420 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2weu n ARG 421 N 0.30 1.31 -1.22 -0.78 0.63 -0.41 -4.97 116.66 111.51 2weu n ARG 421 Ca 0.09 0.50 -0.36 0.00 -0.92 0.00 0.00 57.85 57.16 2weu n ARG 421 Cb 0.41 -2.55 0.07 0.00 0.45 0.00 0.00 32.46 30.84 2weu n ARG 421 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2weu n ALA 422 N -1.63 -1.68 -2.37 5.13 0.00 -1.26 -5.05 120.51 113.64 2weu n ALA 422 Ca 0.14 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 2weu n ALA 422 Cb 0.47 -1.83 -0.09 0.00 0.00 0.00 0.00 19.45 18.00 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 -2.78 0.71 0.83 0.00 0.23 -1.26 -4.53 119.30 112.50 2weu s MET 423 Ca 0.64 -1.05 -0.14 0.00 -1.03 0.00 0.00 55.69 54.12 2weu s MET 423 Cb -0.34 0.27 0.04 0.00 -1.53 0.00 0.00 34.83 33.28 2weu s MET 423 CO 0.59 -0.18 0.81 -2.30 -2.03 0.00 0.00 175.02 171.91 2weu n PRO 424 N 0.12 0.03 -0.08 3.16 -0.02 -1.26 -4.92 135.00 132.04 2weu n PRO 424 Ca -0.15 0.07 -0.07 0.00 -2.02 0.00 0.00 63.50 61.33 2weu n PRO 424 Cb 0.61 -2.12 -0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2weu n PRO 424 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2weu h ASP 425 N -1.03 0.11 0.66 2.55 3.32 -2.02 -2.90 116.42 117.11 2weu h ASP 425 Ca -0.45 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2weu h ASP 425 Cb 1.30 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2weu h ASP 425 CO 0.41 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.65 2weu n GLY 426 N -1.20 -1.16 0.17 2.75 0.00 -1.26 -3.62 105.19 100.88 2weu n GLY 426 Ca -0.00 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.00 0.99 5.85 -1.87 -3.21 115.31 117.07 2weu h LEU 427 Ca 0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2weu h LEU 427 Cb 0.33 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2weu h LEU 427 CO 0.00 0.01 0.00 0.00 -0.34 0.00 0.00 178.44 178.11 2weu h ALA 428 N 2.08 0.00 -0.87 1.25 0.00 -1.74 -0.82 119.26 119.15 2weu h ALA 428 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2weu h ALA 428 Cb 0.96 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2weu h ALA 428 CO 0.00 -0.48 0.58 -0.09 0.00 0.00 0.00 179.25 179.26 2weu h ARG 429 N -0.03 1.15 -0.57 0.00 9.65 -1.81 -0.37 114.38 122.40 2weu h ARG 429 Ca 0.00 -0.07 -0.11 0.00 -1.10 0.00 0.00 59.98 58.70 2weu h ARG 429 Cb 0.03 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.34 2weu h ARG 429 CO -0.00 0.76 -0.07 0.87 2.80 0.00 0.00 179.97 184.33 2weu h LYS 430 N 1.18 1.05 -0.33 0.20 1.57 -1.53 0.48 116.57 119.20 2weu h LYS 430 Ca 0.32 -0.37 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 2weu h LYS 430 Cb -0.14 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 2weu h LYS 430 CO -0.07 1.07 -0.42 -0.07 -0.57 0.00 0.00 179.45 179.39 2weu h LEU 431 N 0.94 0.88 0.11 2.94 3.38 -0.95 -0.72 115.31 121.90 2weu h LEU 431 Ca 0.15 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.73 2weu h LEU 431 Cb 0.64 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2weu h LEU 431 CO 0.04 1.18 -0.23 -0.08 0.09 0.00 0.00 178.44 179.44 2weu h GLU 432 N 0.66 -0.41 -0.93 1.13 4.81 -0.81 -2.64 114.58 116.39 2weu h GLU 432 Ca 0.05 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2weu h GLU 432 Cb 0.99 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.41 2weu h GLU 432 CO 0.10 -0.27 0.61 -0.07 -0.73 0.00 0.00 179.01 178.65 2weu h LEU 433 N -0.42 1.05 -0.91 1.64 3.38 -0.77 -2.61 115.31 116.66 2weu h LEU 433 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2weu h LEU 433 Cb 0.45 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2weu h LEU 433 CO -0.13 0.75 0.00 0.28 0.09 0.00 0.00 178.44 179.43 2weu h SER 434 N 1.24 0.00 0.60 -0.43 0.02 -0.90 0.15 113.55 114.23 2weu h SER 434 Ca 0.35 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.14 2weu h SER 434 Cb -0.10 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2weu h SER 434 CO -0.09 0.00 -0.72 0.00 -1.14 0.00 0.00 176.83 174.89 2weu h ALA 435 N 2.14 0.77 0.00 3.77 0.00 -1.11 -3.21 119.26 121.62 2weu h ALA 435 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 54.15 2weu h ALA 435 Cb 0.53 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2weu h ALA 435 CO 0.00 0.85 -0.75 1.03 0.00 0.00 0.00 179.25 180.39 2weu h SER 436 N 0.06 0.00 -5.01 0.00 0.87 -1.19 -0.22 113.55 108.07 2weu h SER 436 Ca -0.01 -0.53 0.05 0.00 -1.23 0.00 0.00 61.79 60.06 2weu h SER 436 Cb 1.27 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.17 2weu h SER 436 CO 0.10 1.20 0.22 -1.38 -0.53 0.00 0.00 176.83 176.44 2weu s HIS 437 N -2.25 -0.23 0.44 2.24 0.00 0.37 -4.31 115.29 111.55 2weu s HIS 437 Ca -0.22 -0.19 -0.24 0.00 -3.00 0.00 0.00 55.06 51.41 2weu s HIS 437 Cb 0.03 0.67 -0.08 0.00 -4.00 0.00 0.00 32.58 29.20 2weu s HIS 437 CO 0.53 -1.17 1.18 -0.51 -1.00 0.00 0.00 174.74 173.76 2weu s LEU 438 N -2.90 4.09 0.82 5.38 1.43 -1.26 -3.66 118.68 122.57 2weu s LEU 438 Ca 0.10 2.34 -0.12 0.00 -1.03 0.00 0.00 54.13 55.42 2weu s LEU 438 Cb -0.05 -4.14 0.09 0.00 0.03 0.00 0.00 46.19 42.11 2weu s LEU 438 CO 0.04 -0.83 1.16 -0.76 0.23 0.00 0.00 176.35 176.19 2weu s LEU 439 N -2.80 3.07 0.00 1.79 1.43 -1.26 -4.97 118.68 115.94 2weu s LEU 439 Ca 0.61 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.91 2weu s LEU 439 Cb -0.30 -4.57 -0.00 0.00 0.03 0.00 0.00 46.19 41.35 2weu s LEU 439 CO 0.37 -2.59 0.06 -0.90 0.23 0.00 0.00 176.35 173.52 2weu n ASP 440 N -3.49 -0.16 -0.21 2.29 5.68 -1.26 -4.87 116.55 114.53 2weu n ASP 440 Ca 0.12 -1.26 0.19 0.00 -0.50 0.00 0.00 54.79 53.34 2weu n ASP 440 Cb 0.51 0.30 0.53 0.00 -1.14 0.00 0.00 41.12 41.33 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 0.36 0.00 0.11 3.07 -1.96 -0.54 114.58 115.62 2weu h GLU 441 Ca -0.03 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2weu h GLU 441 Cb 0.16 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2weu h GLU 441 CO 0.05 0.24 -0.35 1.04 -1.40 0.00 0.00 179.01 178.58 2weu n GLN 442 N -4.48 0.21 0.00 2.33 1.13 -1.26 -4.23 117.38 111.08 2weu n GLN 442 Ca 0.17 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 2weu n GLN 442 Cb 0.66 -1.67 -0.00 0.00 0.11 0.00 0.00 30.24 29.34 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 -2.00 0.00 -1.66 5.09 -2.24 -0.28 -4.95 114.28 108.24 2weu n THR 443 Ca 0.05 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 61.04 2weu n THR 443 Cb 0.41 1.01 0.19 0.00 -2.10 0.00 0.00 70.33 69.84 2weu n THR 443 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2weu s ILE 444 N -0.70 1.88 -0.04 2.28 -4.36 -0.77 -4.85 121.20 114.64 2weu s ILE 444 Ca 0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 60.65 60.04 2weu s ILE 444 Cb 0.01 -2.84 -0.13 0.00 1.25 0.00 0.00 42.46 40.75 2weu s ILE 444 CO 0.03 0.00 1.74 0.00 0.24 0.00 0.00 174.94 176.94 2weu n TYR 445 N -4.03 2.20 1.11 1.37 9.36 -1.26 -4.85 117.16 121.05 2weu n TYR 445 Ca 0.14 0.20 0.14 0.00 3.32 0.00 0.00 57.90 61.70 2weu n TYR 445 Cb 0.59 -2.57 0.60 0.00 -0.63 0.00 0.00 39.34 37.33 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 5.27 0.13 -4.03 2.98 -0.04 -1.26 -4.83 135.00 133.22 2weu n PRO 446 Ca 0.21 -0.02 -0.22 0.00 -0.04 0.00 0.00 63.50 63.44 2weu n PRO 446 Cb 0.26 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.17 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 -2.88 2.86 0.08 0.54 2.02 -1.26 -5.05 117.35 113.65 2weu s TYR 447 Ca 0.17 -0.28 -0.31 0.00 -0.37 0.00 0.00 57.07 56.29 2weu s TYR 447 Cb 0.19 -1.59 -0.09 0.00 -0.40 0.00 0.00 41.96 40.08 2weu s TYR 447 CO 0.53 0.36 1.75 -0.47 -1.57 0.00 0.00 175.55 176.15 2weu s TYR 448 N -2.31 2.18 0.00 2.71 5.04 -1.26 -4.83 117.35 118.88 2weu s TYR 448 Ca 0.37 0.11 0.00 0.00 -2.44 0.00 0.00 57.07 55.11 2weu s TYR 448 Cb -0.05 -4.07 0.00 0.00 0.35 0.00 0.00 41.96 38.19 2weu s TYR 448 CO 0.24 -4.41 0.93 -2.39 -1.34 0.00 0.00 175.55 168.59 2weu n HIS 449 N 5.91 0.00 -0.17 4.97 1.44 -1.26 -3.49 115.22 122.62 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 0.40 -0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.47 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 1.83 3.33 -1.39 0.00 -1.26 -4.56 105.19 103.15 2weu n GLY 450 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.89 2.28 0.53 1.61 0.40 -1.26 -5.13 117.98 113.53 2weu s PHE 451 Ca 0.00 -0.41 0.08 0.00 -0.60 0.00 0.00 56.93 56.00 2weu s PHE 451 Cb 0.00 -1.38 0.05 0.00 0.51 0.00 0.00 43.02 42.20 2weu s PHE 451 CO 0.00 0.10 0.58 -1.21 0.70 0.00 0.00 175.22 175.40 2weu s GLU 452 N -1.16 2.37 0.21 0.44 2.02 -1.26 -5.03 118.70 116.28 2weu s GLU 452 Ca 0.11 -1.72 -0.14 0.00 0.02 0.00 0.00 54.97 53.24 2weu s GLU 452 Cb -0.10 -2.43 0.22 0.00 0.10 0.00 0.00 34.13 31.92 2weu s GLU 452 CO 0.02 -0.63 1.62 1.15 0.02 0.00 0.00 175.26 177.44 2weu h THR 453 N 0.53 0.35 -0.78 3.63 2.02 -1.95 -1.39 112.91 115.32 2weu h THR 453 Ca -0.35 0.00 0.15 0.00 0.77 0.00 0.00 66.41 66.98 2weu h THR 453 Cb 1.29 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 2weu h THR 453 CO 0.49 0.00 0.52 0.10 0.37 0.00 0.00 175.52 177.00 2weu h TYR 454 N -0.02 0.52 -0.44 3.16 -0.00 -1.96 -1.31 116.97 116.91 2weu h TYR 454 Ca 0.29 0.02 -0.07 0.00 0.00 0.00 0.00 58.73 58.97 2weu h TYR 454 Cb 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 36.73 37.02 2weu h TYR 454 CO -0.52 0.20 0.02 0.77 -0.00 0.00 0.00 178.16 178.62 2weu h SER 455 N 0.45 0.75 -0.21 0.10 0.02 -1.64 0.21 113.55 113.23 2weu h SER 455 Ca 0.38 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2weu h SER 455 Cb 0.84 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2weu h SER 455 CO -0.13 0.86 0.09 -0.50 -1.14 0.00 0.00 176.83 176.01 2weu h TRP 456 N 0.61 0.31 -0.49 3.45 4.06 -1.28 -2.42 115.95 120.19 2weu h TRP 456 Ca 0.13 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.06 2weu h TRP 456 Cb 0.47 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.51 2weu h TRP 456 CO 0.04 0.33 0.31 0.82 -3.56 0.00 0.00 178.44 176.38 2weu h ILE 457 N 0.19 1.14 -0.48 1.49 2.04 -1.24 -1.87 117.51 118.78 2weu h ILE 457 Ca 0.07 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2weu h ILE 457 Cb 0.15 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 2weu h ILE 457 CO -0.01 0.14 0.24 0.74 0.00 0.00 0.00 178.15 179.26 2weu h THR 458 N 0.66 1.18 -0.32 -0.27 2.02 -0.89 0.67 112.91 115.95 2weu h THR 458 Ca 0.18 -0.49 -0.08 0.00 0.77 0.00 0.00 66.41 66.79 2weu h THR 458 Cb -0.05 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2weu h THR 458 CO -0.04 0.20 -0.09 0.24 0.37 0.00 0.00 175.52 176.20 2weu h MET 459 N 0.63 0.63 0.33 6.66 2.86 -1.31 0.16 114.93 124.89 2weu h MET 459 Ca 0.17 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2weu h MET 459 Cb 0.09 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 2weu h MET 459 CO -0.02 0.82 -0.43 -0.91 1.06 0.00 0.00 176.91 177.43 2weu h ASN 460 N 0.41 -1.20 -0.67 1.22 2.35 -1.13 -0.89 115.58 115.67 2weu h ASN 460 Ca 0.08 0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 2weu h ASN 460 Cb 0.59 0.42 -0.03 0.00 0.05 0.00 0.00 38.32 39.35 2weu h ASN 460 CO 0.03 -0.55 0.13 -0.07 -1.65 0.00 0.00 177.43 175.32 2weu h LEU 461 N -0.81 1.05 -0.31 1.61 3.38 -0.85 0.12 115.31 119.51 2weu h LEU 461 Ca -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2weu h LEU 461 Cb 0.74 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2weu h LEU 461 CO -0.12 1.03 0.16 1.23 0.09 0.00 0.00 178.44 180.82 2weu h GLY 462 N 1.02 0.47 1.36 0.83 0.00 -0.62 -3.21 103.07 102.92 2weu h GLY 462 Ca 0.21 -0.23 -0.23 0.00 0.00 0.00 0.00 47.33 47.08 2weu h GLY 462 CO 0.01 0.22 -0.87 1.41 0.00 0.00 0.00 176.54 177.30 2weu h LEU 463 N 0.37 0.74 0.00 3.11 3.38 -1.03 -3.48 115.31 118.40 2weu h LEU 463 Ca 0.11 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2weu h LEU 463 Cb 0.10 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2weu h LEU 463 CO -0.01 1.33 0.00 0.61 0.09 0.00 0.00 178.44 180.45 2weu n GLY 464 N 0.82 0.75 3.54 0.83 0.00 0.18 -4.38 105.19 106.93 2weu n GLY 464 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.17 3.94 -0.02 -0.61 1.01 0.15 -4.98 121.20 119.52 2weu s ILE 465 Ca 0.00 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.29 2weu s ILE 465 Cb 0.00 -4.97 -0.03 0.00 0.01 0.00 0.00 42.46 37.47 2weu s ILE 465 CO 0.00 -1.85 -0.14 -0.69 0.00 0.00 0.00 174.94 172.26 2weu s VAL 466 N 5.00 3.06 0.62 2.92 1.01 -1.26 -3.89 120.40 127.86 2weu s VAL 466 Ca 0.40 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 2weu s VAL 466 Cb -0.04 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 2weu s VAL 466 CO -0.00 0.49 1.23 -2.84 0.00 0.00 0.00 175.10 173.98 2weu s PRO 467 N -1.02 2.80 0.23 2.72 0.02 -1.21 -4.66 135.00 133.88 2weu s PRO 467 Ca 0.13 1.90 -0.07 0.00 0.02 0.00 0.00 61.00 62.98 2weu s PRO 467 Cb -0.11 -1.90 0.27 0.00 0.02 0.00 0.00 34.50 32.78 2weu s PRO 467 CO 0.03 -1.36 1.88 1.49 -0.33 0.00 0.00 177.00 178.71 2weu h GLU 468 N 0.72 1.03 -4.76 5.54 4.57 -1.22 -3.45 114.58 117.02 2weu h GLU 468 Ca -0.50 -0.06 -0.31 0.00 -1.18 0.00 0.00 59.36 57.30 2weu h GLU 468 Cb 1.31 -0.23 -0.15 0.00 -0.16 0.00 0.00 28.75 29.52 2weu h GLU 468 CO 0.54 0.68 -0.61 1.03 -1.18 0.00 0.00 179.01 179.47 2weu s ARG 469 N -6.10 1.34 0.76 1.92 0.52 -1.26 -5.16 118.95 110.97 2weu s ARG 469 Ca -0.13 -1.72 -0.11 0.00 -0.52 0.00 0.00 55.73 53.25 2weu s ARG 469 Cb 0.17 -0.01 0.04 0.00 0.52 0.00 0.00 34.95 35.68 2weu s ARG 469 CO 0.79 -0.36 1.08 -1.25 0.02 0.00 0.00 175.30 175.59 2weu s PRO 470 N -4.06 2.43 -0.05 3.54 0.04 -1.26 -4.90 135.00 130.73 2weu s PRO 470 Ca 0.38 0.71 -0.35 0.00 0.04 0.00 0.00 61.00 61.79 2weu s PRO 470 Cb 0.07 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.53 2weu s PRO 470 CO 0.13 -1.40 1.78 -2.13 0.04 0.00 0.00 177.00 175.43 2weu n ARG 471 N -3.29 2.01 0.22 4.56 0.63 -1.26 -4.85 116.66 114.67 2weu n ARG 471 Ca 0.07 0.74 0.17 0.00 -0.92 0.00 0.00 57.85 57.90 2weu n ARG 471 Cb 0.56 -2.54 0.84 0.00 0.45 0.00 0.00 32.46 31.77 2weu n ARG 471 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 2weu h PRO 472 N 8.13 0.00 -0.77 -0.14 0.11 -1.99 -1.76 132.00 135.58 2weu h PRO 472 Ca -0.48 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.72 2weu h PRO 472 Cb 1.28 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 2weu h PRO 472 CO 0.93 0.00 0.51 0.00 -0.21 0.00 0.00 178.00 179.23 2weu h ALA 473 N 1.80 1.74 -0.09 -0.75 0.00 -2.01 -2.54 119.26 117.40 2weu h ALA 473 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2weu h ALA 473 Cb 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2weu h ALA 473 CO -0.00 0.12 -0.05 -0.07 0.00 0.00 0.00 179.25 179.24 2weu h LEU 474 N 0.75 0.12 -1.98 0.00 3.38 -1.69 -0.31 115.31 115.57 2weu h LEU 474 Ca 0.35 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 2weu h LEU 474 Cb 0.38 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2weu h LEU 474 CO -0.13 0.20 -0.03 -0.07 0.09 0.00 0.00 178.44 178.50 2weu h LEU 475 N 0.13 0.00 -1.07 1.67 3.38 -1.61 -1.82 115.31 115.99 2weu h LEU 475 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2weu h LEU 475 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2weu h LEU 475 CO 0.01 0.03 -0.02 1.41 0.09 0.00 0.00 178.44 179.96 2weu n HIS 476 N -3.19 0.00 -4.32 1.13 8.25 -0.13 -4.96 115.22 112.00 2weu n HIS 476 Ca -0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.19 2weu n HIS 476 Cb 0.23 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.24 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 -2.04 1.98 -0.14 -0.41 -1.94 -0.68 -5.07 119.30 111.00 2weu s MET 477 Ca 0.35 -1.34 -0.29 0.00 -1.71 0.00 0.00 55.69 52.70 2weu s MET 477 Cb 0.21 -2.10 -0.03 0.00 2.01 0.00 0.00 34.83 34.92 2weu s MET 477 CO 0.34 0.42 1.44 0.34 -0.01 0.00 0.00 175.02 177.55 2weu s ASP 478 N -2.90 6.79 0.00 3.03 2.15 -1.26 -4.90 116.67 119.57 2weu s ASP 478 Ca 0.25 1.86 0.27 0.00 0.43 0.00 0.00 52.55 55.37 2weu s ASP 478 Cb -0.08 -2.54 1.23 0.00 -0.30 0.00 0.00 42.92 41.23 2weu s ASP 478 CO 0.15 -0.88 1.90 -0.81 -0.17 0.00 0.00 175.17 175.36 2weu n PRO 479 N 6.92 0.10 -0.21 4.34 -0.04 -1.26 -4.27 135.00 140.59 2weu n PRO 479 Ca 0.16 0.03 -0.06 0.00 -0.04 0.00 0.00 63.50 63.59 2weu n PRO 479 Cb 0.44 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.44 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 3.04 0.76 -0.80 0.55 0.00 -1.99 -0.96 119.26 119.86 2weu h ALA 480 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2weu h ALA 480 Cb 0.42 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2weu h ALA 480 CO 0.00 0.16 0.50 -1.35 0.00 0.00 0.00 179.25 178.57 2weu h PRO 481 N 0.78 0.93 -0.24 0.00 0.11 -2.00 0.10 132.00 131.69 2weu h PRO 481 Ca 0.23 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 2weu h PRO 481 Cb -0.06 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.83 2weu h PRO 481 CO -0.06 0.62 -0.05 0.00 -0.21 0.00 0.00 178.00 178.29 2weu h ALA 482 N 1.35 0.32 -0.91 -0.75 0.00 -1.74 -1.70 119.26 115.83 2weu h ALA 482 Ca 0.33 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2weu h ALA 482 Cb 0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 2weu h ALA 482 CO -0.13 0.12 0.59 -0.07 0.00 0.00 0.00 179.25 179.76 2weu h LEU 483 N 0.19 0.97 -1.19 0.00 3.38 -0.85 -0.48 115.31 117.33 2weu h LEU 483 Ca 0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2weu h LEU 483 Cb 0.51 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2weu h LEU 483 CO 0.02 0.66 0.40 0.00 0.09 0.00 0.00 178.44 179.62 2weu h ALA 484 N 1.39 1.39 -0.26 1.53 0.00 -0.84 -1.71 119.26 120.76 2weu h ALA 484 Ca 0.37 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 2weu h ALA 484 Cb 0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2weu h ALA 484 CO -0.13 0.51 -0.50 1.49 0.00 0.00 0.00 179.25 180.63 2weu h GLU 485 N 0.97 0.71 -0.85 0.00 4.57 -0.20 -0.32 114.58 119.45 2weu h GLU 485 Ca 0.25 -0.42 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2weu h GLU 485 Cb -0.01 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 2weu h GLU 485 CO -0.04 1.04 0.53 0.74 -1.18 0.00 0.00 179.01 180.09 2weu h PHE 486 N 0.56 1.11 -0.41 0.92 -1.00 -0.82 -1.23 116.94 116.06 2weu h PHE 486 Ca 0.02 0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.73 2weu h PHE 486 Cb 1.06 -0.37 -0.01 0.00 3.61 0.00 0.00 35.95 40.24 2weu h PHE 486 CO 0.05 0.73 -0.06 0.93 -1.61 0.00 0.00 178.31 178.36 2weu h GLU 487 N 1.17 0.77 -0.70 1.51 4.39 -0.96 -2.23 114.58 118.53 2weu h GLU 487 Ca 0.31 -0.27 0.06 0.00 0.34 0.00 0.00 59.36 59.79 2weu h GLU 487 Cb -0.07 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.47 2weu h GLU 487 CO -0.06 0.88 0.40 0.00 -1.16 0.00 0.00 179.01 179.07 2weu h ARG 488 N 0.59 0.71 -0.57 2.33 3.08 -0.60 -1.30 114.38 118.64 2weu h ARG 488 Ca 0.11 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2weu h ARG 488 Cb 0.57 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 2weu h ARG 488 CO 0.03 0.47 0.31 -0.07 -1.07 0.00 0.00 179.97 179.65 2weu h LEU 489 N 0.73 0.70 -0.34 3.04 3.38 -1.02 0.14 115.31 121.94 2weu h LEU 489 Ca 0.31 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2weu h LEU 489 Cb 0.19 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2weu h LEU 489 CO -0.18 0.59 0.15 -0.09 0.09 0.00 0.00 178.44 179.00 2weu h ARG 490 N 0.76 0.51 -0.22 1.13 2.43 -0.97 -1.34 114.38 116.67 2weu h ARG 490 Ca 0.20 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2weu h ARG 490 Cb 0.04 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2weu h ARG 490 CO -0.03 0.48 -0.08 -0.09 -1.51 0.00 0.00 179.97 178.74 2weu h ARG 491 N 0.41 0.45 -0.68 0.20 2.43 -0.99 -0.71 114.38 115.49 2weu h ARG 491 Ca 0.12 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2weu h ARG 491 Cb 0.16 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2weu h ARG 491 CO -0.01 0.70 0.45 0.93 -1.51 0.00 0.00 179.97 180.53 2weu h GLU 492 N 0.17 0.89 0.04 0.20 5.08 -0.74 -1.07 114.58 119.15 2weu h GLU 492 Ca 0.05 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2weu h GLU 492 Cb 0.55 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2weu h GLU 492 CO 0.03 0.59 -0.02 0.78 -1.00 0.00 0.00 179.01 179.38 2weu h GLY 493 N 0.91 -0.05 0.50 -3.84 0.00 -0.84 -1.00 103.07 98.74 2weu h GLY 493 Ca 0.25 0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.67 2weu h GLY 493 CO -0.05 -0.02 0.17 -0.55 0.00 0.00 0.00 176.54 176.08 2weu h ASP 494 N -0.08 0.16 -0.36 0.19 3.32 -0.68 -2.13 116.42 116.84 2weu h ASP 494 Ca -0.01 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 2weu h ASP 494 Cb 0.07 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2weu h ASP 494 CO 0.01 0.12 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.27 2weu h GLU 495 N 0.34 0.66 -0.48 3.56 5.08 -1.06 -2.83 114.58 119.85 2weu h GLU 495 Ca 0.24 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2weu h GLU 495 Cb 0.27 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2weu h GLU 495 CO -0.26 0.80 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.46 2weu h LEU 496 N 0.47 0.79 -0.34 1.33 3.38 -0.92 -1.56 115.31 118.45 2weu h LEU 496 Ca 0.10 -0.20 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 2weu h LEU 496 Cb 0.53 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2weu h LEU 496 CO 0.03 0.87 -0.83 0.16 0.09 0.00 0.00 178.44 178.75 2weu h ILE 497 N 0.75 1.56 -0.08 1.22 3.07 -1.38 -0.04 117.51 122.61 2weu h ILE 497 Ca 0.14 -2.73 -0.13 0.00 1.55 0.00 0.00 64.86 63.69 2weu h ILE 497 Cb 0.49 2.49 -0.01 0.00 -0.27 0.00 0.00 36.82 39.52 2weu h ILE 497 CO 0.02 0.79 -0.52 0.00 -1.05 0.00 0.00 178.15 177.39 2weu h ALA 498 N 1.12 0.99 0.18 0.16 0.00 -1.25 -3.33 119.26 117.12 2weu h ALA 498 Ca -0.02 -0.48 -0.33 0.00 0.00 0.00 0.00 54.91 54.08 2weu h ALA 498 Cb 1.46 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.18 2weu h ALA 498 CO 0.11 0.67 -1.63 0.00 0.00 0.00 0.00 179.25 178.40 2weu h ALA 499 N 1.30 0.10 -2.09 0.00 0.00 -1.02 -3.48 119.26 114.08 2weu h ALA 499 Ca 0.00 -1.08 -0.45 0.00 0.00 0.00 0.00 54.91 53.39 2weu h ALA 499 Cb 0.97 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2weu h ALA 499 CO 0.08 0.92 0.35 -0.51 0.00 0.00 0.00 179.25 180.08 2weu s LEU 500 N -7.41 3.87 0.88 0.00 1.43 -0.05 -4.97 118.68 112.44 2weu s LEU 500 Ca -0.16 1.66 -0.12 0.00 -1.03 0.00 0.00 54.13 54.48 2weu s LEU 500 Cb 0.05 -4.53 0.12 0.00 0.03 0.00 0.00 46.19 41.86 2weu s LEU 500 CO 0.85 -0.41 1.16 -2.16 0.23 0.00 0.00 176.35 176.02 2weu s PRO 501 N -3.37 1.35 0.72 1.29 0.04 -1.26 -4.88 135.00 128.88 2weu s PRO 501 Ca 0.61 0.20 -0.11 0.00 0.04 0.00 0.00 61.00 61.75 2weu s PRO 501 Cb -0.09 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.60 2weu s PRO 501 CO 0.17 -2.04 1.07 -1.54 0.04 0.00 0.00 177.00 174.70 2weu s SER 502 N -4.24 5.18 0.17 6.66 1.04 -1.26 -1.09 113.70 120.16 2weu s SER 502 Ca 0.64 1.59 -0.17 0.00 0.48 0.00 0.00 55.95 58.49 2weu s SER 502 Cb -0.13 -2.43 0.10 0.00 0.10 0.00 0.00 66.02 63.66 2weu s SER 502 CO 0.52 -1.57 1.66 0.00 0.98 0.00 0.00 173.24 174.83 2weu h TYR 504 N -0.02 0.11 -0.69 0.00 3.20 -1.84 -2.24 116.97 115.48 2weu h TYR 504 Ca 0.20 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.21 2weu h TYR 504 Cb 0.32 -0.03 -0.12 0.00 1.54 0.00 0.00 36.73 38.45 2weu h TYR 504 CO -0.38 0.28 0.02 0.93 -1.64 0.00 0.00 178.16 177.37 2weu h GLU 505 N -0.09 0.12 -0.06 1.82 5.08 -1.84 0.86 114.58 120.47 2weu h GLU 505 Ca 0.02 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2weu h GLU 505 Cb 0.22 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2weu h GLU 505 CO -0.00 0.08 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.11 2weu h TYR 506 N 0.13 0.17 -0.79 4.33 3.20 -1.23 -2.44 116.97 120.34 2weu h TYR 506 Ca 0.37 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 62.25 2weu h TYR 506 Cb 0.63 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.81 2weu h TYR 506 CO -0.38 0.59 0.48 -0.07 -1.64 0.00 0.00 178.16 177.14 2weu h LEU 507 N -0.30 0.75 -1.42 2.82 3.38 -0.90 -0.75 115.31 118.90 2weu h LEU 507 Ca 0.01 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.04 2weu h LEU 507 Cb 0.56 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2weu h LEU 507 CO 0.01 0.49 0.44 0.00 0.09 0.00 0.00 178.44 179.47 2weu h ALA 508 N 1.37 1.69 0.00 1.53 0.00 -0.82 -2.09 119.26 120.95 2weu h ALA 508 Ca 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2weu h ALA 508 Cb 0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2weu h ALA 508 CO -0.16 0.22 -0.05 0.66 0.00 0.00 0.00 179.25 179.91 2weu h SER 509 N 0.73 0.00 -0.36 0.00 4.64 -0.62 -3.08 113.55 114.85 2weu h SER 509 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2weu h SER 509 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2weu h SER 509 CO -0.08 0.05 0.00 2.30 -0.87 0.00 0.00 176.83 178.23 2weu n ILE 510 N -3.26 0.71 0.65 0.95 -5.35 -0.80 -5.12 119.36 107.15 2weu n ILE 510 Ca -0.01 -0.85 0.05 0.00 -0.27 0.00 0.00 62.75 61.67 2weu n ILE 510 Cb 0.25 0.74 0.31 0.00 -1.74 0.00 0.00 39.64 39.20 2weu n ILE 510 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79