#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mio n ASP 3 N 0.00 -0.23 0.00 -1.43 9.92 -1.26 -4.86 116.55 118.70 1mio n ASP 3 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1mio n ASP 3 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1mio n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mio n ALA 4 N -2.99 0.00 -2.11 2.24 0.00 -1.26 -4.98 120.51 111.41 1mio n ALA 4 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1mio n ALA 4 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 1mio n ALA 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1mio s THR 5 N -0.22 3.47 0.64 0.00 2.01 -1.26 -5.02 115.64 115.25 1mio s THR 5 Ca 0.00 0.86 -0.17 0.00 0.31 0.00 0.00 61.69 62.69 1mio s THR 5 Cb 0.00 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 1mio s THR 5 CO 0.00 -0.01 0.92 -2.65 -0.69 0.00 0.00 174.62 172.19 1mio n PRO 6 N 5.56 0.72 -0.03 4.92 -0.02 -1.26 -4.95 135.00 139.94 1mio n PRO 6 Ca 0.14 0.29 -0.15 0.00 -2.02 0.00 0.00 63.50 61.76 1mio n PRO 6 Cb 0.42 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.64 1mio n PRO 6 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1mio h LYS 7 N 0.20 0.11 -6.29 -0.52 3.11 -1.95 -3.44 116.57 107.79 1mio h LYS 7 Ca -0.48 -0.15 -0.54 0.00 -2.81 0.00 0.00 60.65 56.67 1mio h LYS 7 Cb 1.36 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 32.59 1mio h LYS 7 CO 0.49 0.99 1.17 -1.83 -2.81 0.00 0.00 179.45 177.46 1mio s GLU 8 N -2.67 3.13 0.18 1.90 1.03 -1.26 -4.75 118.70 116.27 1mio s GLU 8 Ca -0.17 0.49 -0.33 0.00 0.03 0.00 0.00 54.97 54.99 1mio s GLU 8 Cb -0.01 -4.20 -0.13 0.00 -0.80 0.00 0.00 34.13 28.99 1mio s GLU 8 CO 0.73 -2.14 1.58 -0.89 -1.33 0.00 0.00 175.26 173.21 1mio n ILE 9 N 6.93 0.13 -3.92 1.83 5.41 -1.26 -4.98 119.36 123.50 1mio n ILE 9 Ca 0.14 -0.03 -0.30 0.00 1.00 0.00 0.00 62.75 63.55 1mio n ILE 9 Cb 0.50 -1.61 -0.15 0.00 -0.71 0.00 0.00 39.64 37.67 1mio n ILE 9 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1mio s VAL 10 N 0.82 1.90 -0.79 1.39 -7.23 -1.26 -5.06 120.40 110.17 1mio s VAL 10 Ca 0.77 -2.25 -0.26 0.00 -1.81 0.00 0.00 61.98 58.43 1mio s VAL 10 Cb -0.65 -2.40 0.04 0.00 0.56 0.00 0.00 36.38 33.94 1mio s VAL 10 CO 0.39 -0.67 1.28 -0.70 -0.31 0.00 0.00 175.10 175.09 1mio s GLU 11 N 0.89 3.27 0.32 4.82 2.56 -1.26 -5.01 118.70 124.29 1mio s GLU 11 Ca 0.12 -0.49 -0.23 0.00 0.00 0.00 0.00 54.97 54.37 1mio s GLU 11 Cb -0.20 -4.43 -0.10 0.00 2.00 0.00 0.00 34.13 31.40 1mio s GLU 11 CO -0.11 -2.13 0.88 1.03 -0.56 0.00 0.00 175.26 174.37 1mio s ARG 12 N 5.39 4.39 -0.01 4.30 0.52 -1.26 -4.99 118.95 127.29 1mio s ARG 12 Ca 0.36 1.12 0.09 0.00 -0.52 0.00 0.00 55.73 56.78 1mio s ARG 12 Cb -0.07 -2.66 -0.12 0.00 0.52 0.00 0.00 34.95 32.62 1mio s ARG 12 CO 0.09 0.23 0.28 0.36 0.02 0.00 0.00 175.30 176.28 1mio n LYS 13 N 0.28 2.12 0.00 3.54 2.85 -1.26 -4.88 118.16 120.82 1mio n LYS 13 Ca 0.02 -0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 1mio n LYS 13 Cb 0.51 -1.07 0.00 0.00 -0.65 0.00 0.00 35.03 33.83 1mio n LYS 13 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1mio n ALA 14 N -1.52 2.32 -2.52 0.58 0.00 -1.26 -5.01 120.51 113.09 1mio n ALA 14 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1mio n ALA 14 Cb 0.19 0.37 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 1mio n ALA 14 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1mio s LEU 15 N -4.88 3.70 0.04 0.00 0.20 -1.26 -5.02 118.68 111.45 1mio s LEU 15 Ca 0.00 0.73 -0.19 0.00 0.69 0.00 0.00 54.13 55.35 1mio s LEU 15 Cb 0.00 -3.55 -0.06 0.00 -0.43 0.00 0.00 46.19 42.15 1mio s LEU 15 CO 0.00 -1.22 0.56 -0.60 -0.29 0.00 0.00 176.35 174.80 1mio s ARG 16 N 4.42 4.22 -0.04 1.98 6.06 -1.26 -4.89 118.95 129.44 1mio s ARG 16 Ca 0.52 0.71 -0.01 0.00 -2.50 0.00 0.00 55.73 54.44 1mio s ARG 16 Cb -0.11 -3.27 0.03 0.00 0.06 0.00 0.00 34.95 31.66 1mio s ARG 16 CO 0.29 0.55 0.03 0.42 -2.50 0.00 0.00 175.30 174.09 1mio s ILE 17 N -0.79 0.05 -0.71 4.11 1.01 -1.26 -4.98 121.20 118.63 1mio s ILE 17 Ca 0.29 0.26 -0.03 0.00 0.00 0.00 0.00 60.65 61.18 1mio s ILE 17 Cb -0.19 -0.23 0.00 0.00 0.01 0.00 0.00 42.46 42.05 1mio s ILE 17 CO 0.18 0.17 0.68 0.59 0.00 0.00 0.00 174.94 176.55 1mio n ASN 18 N 4.81 -7.39 -4.89 3.58 4.13 -1.26 -4.02 115.26 110.22 1mio n ASN 18 Ca -0.13 -0.12 -0.29 0.00 1.68 0.00 0.00 54.58 55.71 1mio n ASN 18 Cb 0.50 -4.77 0.02 0.00 -1.54 0.00 0.00 39.78 33.99 1mio n ASN 18 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1mio s PRO 19 N -3.21 3.21 -0.76 3.52 0.04 -1.26 -0.50 135.00 136.05 1mio s PRO 19 Ca 0.04 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1mio s PRO 19 Cb -0.01 -2.16 0.36 0.00 0.04 0.00 0.00 34.50 32.73 1mio s PRO 19 CO 0.77 -0.67 1.73 0.00 0.04 0.00 0.00 177.00 178.88 1mio n ALA 20 N -2.69 6.04 0.00 8.56 0.00 -1.25 -4.61 120.51 126.56 1mio n ALA 20 Ca 0.05 -4.25 0.00 0.00 0.00 0.00 0.00 53.44 49.24 1mio n ALA 20 Cb 0.56 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1mio n ALA 20 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1mio n LYS 21 N -0.46 0.00 -4.39 0.00 2.85 -1.26 -2.23 118.16 112.67 1mio n LYS 21 Ca 0.49 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.55 1mio n LYS 21 Cb 0.35 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.62 1mio n LYS 21 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1mio s THR 22 N -2.00 1.23 1.18 0.58 -4.23 -1.26 -5.06 115.64 106.07 1mio s THR 22 Ca 0.00 -2.05 -0.13 0.00 -1.18 0.00 0.00 61.69 58.33 1mio s THR 22 Cb 0.00 -2.51 0.29 0.00 1.34 0.00 0.00 72.50 71.62 1mio s THR 22 CO 0.00 -0.22 1.02 0.00 -0.54 0.00 0.00 174.62 174.89 1mio h GLN 24 N -2.66 -0.52 -1.46 0.00 4.20 -1.70 -2.52 115.11 110.45 1mio h GLN 24 Ca -0.62 0.04 0.43 0.00 0.06 0.00 0.00 58.65 58.55 1mio h GLN 24 Cb 1.34 0.12 -0.08 0.00 0.30 0.00 0.00 27.48 29.16 1mio h GLN 24 CO 0.51 -0.35 1.02 -1.35 -0.67 0.00 0.00 178.83 178.00 1mio h PRO 25 N -0.54 0.05 -0.18 1.46 0.11 -1.82 -3.06 132.00 128.03 1mio h PRO 25 Ca 0.06 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.95 1mio h PRO 25 Cb 0.63 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.74 1mio h PRO 25 CO -0.33 0.03 -0.74 0.28 -0.21 0.00 0.00 178.00 177.04 1mio h VAL 26 N 0.05 1.27 -0.34 3.15 2.07 -1.90 -1.48 116.25 119.09 1mio h VAL 26 Ca 0.74 -1.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 1mio h VAL 26 Cb 2.75 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 34.42 1mio h VAL 26 CO -0.11 0.62 -0.04 1.23 0.02 0.00 0.00 177.57 179.29 1mio h GLY 27 N 0.59 0.58 2.00 2.17 0.00 -1.57 0.40 103.07 107.24 1mio h GLY 27 Ca -0.04 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 1mio h GLY 27 CO 0.15 0.34 -0.51 0.00 0.00 0.00 0.00 176.54 176.52 1mio h ALA 28 N 1.46 1.12 -0.02 3.60 0.00 -1.61 -0.20 119.26 123.61 1mio h ALA 28 Ca 0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1mio h ALA 28 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1mio h ALA 28 CO 0.02 0.63 -0.15 1.98 0.00 0.00 0.00 179.25 181.73 1mio h MET 29 N 0.00 0.14 0.12 0.00 4.05 -0.25 -2.13 114.93 116.86 1mio h MET 29 Ca -0.01 -0.12 0.02 0.00 -0.28 0.00 0.00 59.70 59.31 1mio h MET 29 Cb 0.92 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.70 1mio h MET 29 CO 0.07 0.80 -0.47 -0.92 0.23 0.00 0.00 176.91 176.63 1mio h TYR 30 N -0.49 -1.32 -0.79 1.39 3.20 -0.98 -2.41 116.97 115.56 1mio h TYR 30 Ca -0.01 0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.06 1mio h TYR 30 Cb 0.84 0.56 -0.11 0.00 1.54 0.00 0.00 36.73 39.56 1mio h TYR 30 CO 0.16 -0.55 0.27 0.00 -1.64 0.00 0.00 178.16 176.39 1mio h ALA 31 N -0.32 1.12 -0.32 1.82 0.00 -1.06 -0.30 119.26 120.19 1mio h ALA 31 Ca 0.01 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1mio h ALA 31 Cb 0.72 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1mio h ALA 31 CO -0.26 -0.31 0.02 0.00 0.00 0.00 0.00 179.25 178.71 1mio h ALA 32 N 1.63 1.44 0.00 0.00 0.00 -1.21 -2.20 119.26 118.92 1mio h ALA 32 Ca 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1mio h ALA 32 Cb 0.79 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1mio h ALA 32 CO -0.49 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.43 1mio n LEU 33 N -4.31 0.00 -0.32 0.00 4.77 -0.13 -1.83 117.00 115.18 1mio n LEU 33 Ca 0.01 0.42 0.10 0.00 -0.03 0.00 0.00 56.01 56.52 1mio n LEU 33 Cb 0.22 -0.42 0.46 0.00 -2.33 0.00 0.00 43.42 41.35 1mio n LEU 33 CO 0.38 -0.17 0.82 0.61 -1.33 0.00 0.00 177.39 177.69 1mio n GLY 34 N 0.26 -0.27 3.70 -0.72 0.00 -0.83 -4.65 105.19 102.68 1mio n GLY 34 Ca 0.06 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1mio n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mio s ILE 35 N -1.89 4.43 0.17 -0.61 -1.09 -0.76 -1.08 121.20 120.37 1mio s ILE 35 Ca 0.31 -0.20 -0.30 0.00 -2.23 0.00 0.00 60.65 58.23 1mio s ILE 35 Cb 0.16 -2.87 -0.08 0.00 -1.58 0.00 0.00 42.46 38.09 1mio s ILE 35 CO 0.25 0.60 1.10 -2.28 -1.23 0.00 0.00 174.94 173.38 1mio s HIS 36 N -0.86 3.60 -1.46 3.97 2.46 -0.17 -3.87 115.29 118.96 1mio s HIS 36 Ca 0.13 1.60 -0.07 0.00 0.47 0.00 0.00 55.06 57.19 1mio s HIS 36 Cb -0.11 -3.27 0.01 0.00 -0.13 0.00 0.00 32.58 29.08 1mio s HIS 36 CO 0.02 -0.59 0.90 0.09 -2.47 0.00 0.00 174.74 172.70 1mio n ASN 37 N 2.41 -6.20 -4.33 9.88 4.13 -1.26 -4.80 115.26 115.10 1mio n ASN 37 Ca 0.03 -0.43 -0.32 0.00 1.68 0.00 0.00 54.58 55.54 1mio n ASN 37 Cb 0.46 -4.94 -0.16 0.00 -1.54 0.00 0.00 39.78 33.61 1mio n ASN 37 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mio s LEU 39 N -0.38 3.02 0.42 0.00 2.96 -1.17 -4.84 118.68 118.70 1mio s LEU 39 Ca 0.03 -0.36 -0.26 0.00 -0.22 0.00 0.00 54.13 53.31 1mio s LEU 39 Cb -0.12 -1.78 -0.10 0.00 0.50 0.00 0.00 46.19 44.69 1mio s LEU 39 CO 0.02 -0.03 1.42 -0.81 -1.32 0.00 0.00 176.35 175.63 1mio n PRO 40 N 4.82 2.34 -4.20 0.98 -0.04 -1.26 -2.22 135.00 135.42 1mio n PRO 40 Ca -0.18 0.83 -0.24 0.00 -0.04 0.00 0.00 63.50 63.87 1mio n PRO 40 Cb 0.51 -2.59 -0.17 0.00 -0.04 0.00 0.00 33.50 31.21 1mio n PRO 40 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1mio s HIS 41 N -1.16 1.17 -0.55 0.54 2.46 0.65 -1.70 115.29 116.70 1mio s HIS 41 Ca 0.58 -0.45 -0.27 0.00 0.47 0.00 0.00 55.06 55.38 1mio s HIS 41 Cb -0.47 -0.96 0.03 0.00 -0.13 0.00 0.00 32.58 31.04 1mio s HIS 41 CO 0.60 -0.32 1.12 0.45 -2.47 0.00 0.00 174.74 174.12 1mio s SER 42 N 1.15 6.46 -0.80 9.88 0.15 -0.55 -2.52 113.70 127.47 1mio s SER 42 Ca -0.06 0.09 -0.23 0.00 0.70 0.00 0.00 55.95 56.44 1mio s SER 42 Cb -0.14 -2.52 0.07 0.00 -1.71 0.00 0.00 66.02 61.71 1mio s SER 42 CO -0.01 -1.37 1.16 -2.28 1.20 0.00 0.00 173.24 171.94 1mio s HIS 43 N 4.60 2.63 -5.00 3.44 2.46 -0.14 -2.23 115.29 121.05 1mio s HIS 43 Ca 0.41 -0.63 0.00 0.00 0.47 0.00 0.00 55.06 55.31 1mio s HIS 43 Cb -0.08 -4.45 0.00 0.00 -0.13 0.00 0.00 32.58 27.91 1mio s HIS 43 CO 0.25 -1.78 0.00 0.41 -2.47 0.00 0.00 174.74 171.15 1mio n GLY 44 N 5.66 -0.39 3.50 1.59 0.00 -1.26 -3.59 105.19 110.70 1mio n GLY 44 Ca 0.10 -0.85 -0.48 0.00 0.00 0.00 0.00 46.02 44.79 1mio n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mio n SER 45 N 0.00 0.14 0.06 1.61 3.41 -1.26 -3.04 113.62 114.54 1mio n SER 45 Ca 0.00 1.15 -0.13 0.00 -0.26 0.00 0.00 58.87 59.63 1mio n SER 45 Cb 0.00 -1.11 -0.08 0.00 -0.26 0.00 0.00 64.21 62.76 1mio n SER 45 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1mio h GLN 46 N 1.88 -0.10 0.00 4.33 5.75 -1.90 -3.30 115.11 121.76 1mio h GLN 46 Ca -0.36 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.15 1mio h GLN 46 Cb 1.39 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.96 1mio h GLN 46 CO 0.61 0.09 0.00 0.78 -2.65 0.00 0.00 178.83 177.66 1mio h GLY 47 N -0.29 0.00 1.01 2.39 0.00 -1.96 -2.97 103.07 101.25 1mio h GLY 47 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1mio h GLY 47 CO 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 176.54 176.19 1mio h SER 50 N -0.28 -1.33 -0.60 0.00 0.02 -1.65 0.11 113.55 109.83 1mio h SER 50 Ca 0.14 0.13 0.11 0.00 -0.84 0.00 0.00 61.79 61.33 1mio h SER 50 Cb 0.50 0.48 -0.08 0.00 0.14 0.00 0.00 62.40 63.44 1mio h SER 50 CO -0.43 -0.55 0.15 1.88 -1.14 0.00 0.00 176.83 176.74 1mio h TYR 51 N -0.78 0.25 -0.41 3.45 0.05 -0.92 -0.59 116.97 118.02 1mio h TYR 51 Ca -0.01 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.72 1mio h TYR 51 Cb 0.75 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 1mio h TYR 51 CO -0.34 0.00 -0.07 0.45 -1.05 0.00 0.00 178.16 177.15 1mio h HIS 52 N 0.30 0.86 0.00 4.88 3.86 -0.76 -1.57 115.15 122.72 1mio h HIS 52 Ca 0.31 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1mio h HIS 52 Cb 0.44 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 1mio h HIS 52 CO -0.22 0.88 -0.12 0.00 0.86 0.00 0.00 177.93 179.33 1mio h ARG 53 N 0.59 0.00 0.20 2.45 3.08 -0.54 -3.14 114.38 117.02 1mio h ARG 53 Ca 0.11 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.90 1mio h ARG 53 Cb 0.59 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.67 1mio h ARG 53 CO 0.04 0.12 -1.15 1.15 -1.07 0.00 0.00 179.97 179.06 1mio h THR 54 N 0.00 1.39 -0.63 2.04 2.02 -0.17 -2.81 112.91 114.76 1mio h THR 54 Ca -0.00 -2.62 0.10 0.00 0.77 0.00 0.00 66.41 64.66 1mio h THR 54 Cb 0.47 3.12 -0.04 0.00 -1.74 0.00 0.00 68.15 69.97 1mio h THR 54 CO 0.02 0.76 0.42 -0.37 0.37 0.00 0.00 175.52 176.72 1mio h VAL 55 N -0.12 0.91 -0.06 3.16 -1.51 -1.33 -0.68 116.25 116.62 1mio h VAL 55 Ca -0.20 -0.16 -0.05 0.00 -1.23 0.00 0.00 66.70 65.05 1mio h VAL 55 Cb 1.91 0.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 1mio h VAL 55 CO 0.21 0.09 -0.17 -0.07 -1.23 0.00 0.00 177.57 176.40 1mio h LEU 56 N 0.48 0.26 -1.61 4.19 3.38 -1.63 -2.30 115.31 118.07 1mio h LEU 56 Ca 0.29 -0.60 0.04 0.00 0.09 0.00 0.00 57.88 57.70 1mio h LEU 56 Cb 0.51 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1mio h LEU 56 CO -0.09 0.82 0.32 0.28 0.09 0.00 0.00 178.44 179.86 1mio h SER 57 N -0.29 0.44 0.79 -0.43 0.02 -1.25 -2.64 113.55 110.18 1mio h SER 57 Ca -0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1mio h SER 57 Cb 0.79 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1mio h SER 57 CO 0.04 0.30 -0.42 0.54 -1.14 0.00 0.00 176.83 176.15 1mio n ARG 58 N -4.48 0.12 -0.08 3.45 1.74 -0.28 -1.95 116.66 115.18 1mio n ARG 58 Ca 0.06 0.05 -0.10 0.00 -0.77 0.00 0.00 57.85 57.08 1mio n ARG 58 Cb 0.17 -1.59 -0.05 0.00 -1.02 0.00 0.00 32.46 29.97 1mio n ARG 58 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1mio h HIS 59 N 0.00 0.00 0.00 -1.55 2.76 -1.16 -3.39 115.15 111.81 1mio h HIS 59 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1mio h HIS 59 Cb 0.60 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.56 1mio h HIS 59 CO 0.00 0.54 -0.49 1.19 -1.30 0.00 0.00 177.93 177.87 1mio n PHE 60 N -4.59 0.51 -3.61 5.26 3.72 -1.02 -4.71 117.46 113.02 1mio n PHE 60 Ca -0.13 0.15 -0.22 0.00 -0.05 0.00 0.00 57.45 57.20 1mio n PHE 60 Cb 0.36 -0.64 0.04 0.00 -0.94 0.00 0.00 39.48 38.31 1mio n PHE 60 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1mio n LYS 61 N -2.03 -4.13 -3.77 -1.08 4.01 -0.82 -4.92 118.16 105.43 1mio n LYS 61 Ca 0.04 0.65 -0.12 0.00 -0.51 0.00 0.00 58.31 58.37 1mio n LYS 61 Cb 0.42 -5.17 -0.08 0.00 -0.51 0.00 0.00 35.03 29.69 1mio n LYS 61 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1mio s GLU 62 N -5.71 0.74 0.52 1.97 0.41 -1.22 -5.06 118.70 110.35 1mio s GLU 62 Ca 0.14 -0.40 -0.21 0.00 -0.41 0.00 0.00 54.97 54.08 1mio s GLU 62 Cb -0.03 0.32 -0.06 0.00 -1.78 0.00 0.00 34.13 32.58 1mio s GLU 62 CO 0.80 -0.22 1.15 -1.25 -0.49 0.00 0.00 175.26 175.25 1mio s PRO 63 N -2.10 3.47 -0.22 0.39 0.04 -1.26 -3.45 135.00 131.87 1mio s PRO 63 Ca -0.08 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 1mio s PRO 63 Cb -0.03 -2.15 0.06 0.00 0.04 0.00 0.00 34.50 32.43 1mio s PRO 63 CO -0.01 -0.78 -0.01 0.00 0.04 0.00 0.00 177.00 176.25 1mio s ALA 64 N -1.66 1.54 0.10 8.56 0.00 -1.26 -4.85 121.76 124.18 1mio s ALA 64 Ca 0.70 -1.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.39 1mio s ALA 64 Cb -0.26 -1.34 -0.07 0.00 0.00 0.00 0.00 23.12 21.45 1mio s ALA 64 CO 0.31 -1.21 0.56 -1.64 0.00 0.00 0.00 175.76 173.77 1mio s MET 65 N 1.60 4.11 0.06 0.00 -1.94 -1.26 -4.82 119.30 117.04 1mio s MET 65 Ca -0.03 0.64 -0.27 0.00 -1.71 0.00 0.00 55.69 54.32 1mio s MET 65 Cb -0.18 -3.11 0.07 0.00 2.01 0.00 0.00 34.83 33.62 1mio s MET 65 CO -0.08 0.57 0.63 0.00 -0.01 0.00 0.00 175.02 176.14 1mio s ALA 66 N -1.25 -1.67 0.25 3.03 0.00 -1.26 -4.10 121.76 116.76 1mio s ALA 66 Ca 0.32 0.88 0.09 0.00 0.00 0.00 0.00 51.96 53.26 1mio s ALA 66 Cb -0.18 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 1mio s ALA 66 CO 0.19 -0.57 0.01 -1.54 0.00 0.00 0.00 175.76 173.85 1mio s SER 67 N -1.99 4.65 0.13 0.00 1.04 -0.69 -4.99 113.70 111.85 1mio s SER 67 Ca -0.05 -0.58 0.11 0.00 0.48 0.00 0.00 55.95 55.91 1mio s SER 67 Cb -0.01 -0.91 -0.04 0.00 0.10 0.00 0.00 66.02 65.16 1mio s SER 67 CO -0.02 0.01 -0.26 0.42 0.98 0.00 0.00 173.24 174.38 1mio s THR 68 N -2.22 2.34 -0.80 2.02 -4.23 -1.26 -1.49 115.64 110.00 1mio s THR 68 Ca 0.31 -1.74 0.19 0.00 -1.18 0.00 0.00 61.69 59.26 1mio s THR 68 Cb -0.07 -2.04 0.18 0.00 1.34 0.00 0.00 72.50 71.90 1mio s THR 68 CO 0.20 0.08 1.58 -1.20 -0.54 0.00 0.00 174.62 174.74 1mio n SER 69 N 0.86 0.26 -3.98 3.99 7.64 -0.95 -4.91 113.62 116.54 1mio n SER 69 Ca -0.17 0.56 -0.29 0.00 1.01 0.00 0.00 58.87 59.97 1mio n SER 69 Cb 0.53 -0.62 -0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1mio n SER 69 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1mio n SER 70 N -1.79 -2.62 -4.45 6.43 7.64 -1.17 -4.74 113.62 112.93 1mio n SER 70 Ca 0.03 -0.91 -0.38 0.00 1.01 0.00 0.00 58.87 58.62 1mio n SER 70 Cb 0.20 -3.37 0.03 0.00 -1.01 0.00 0.00 64.21 60.07 1mio n SER 70 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1mio n PHE 71 N -4.47 -0.89 -4.47 1.43 3.01 -1.21 -4.88 117.46 105.98 1mio n PHE 71 Ca -0.10 0.45 -0.23 0.00 1.01 0.00 0.00 57.45 58.58 1mio n PHE 71 Cb 0.58 -1.93 -0.06 0.00 -0.01 0.00 0.00 39.48 38.06 1mio n PHE 71 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1mio n THR 72 N -1.66 0.00 -0.31 4.37 -2.24 -1.26 -4.48 114.28 108.70 1mio n THR 72 Ca 0.11 -2.03 0.10 0.00 -2.27 0.00 0.00 64.05 59.96 1mio n THR 72 Cb 0.47 0.66 0.26 0.00 -2.10 0.00 0.00 70.33 69.63 1mio n THR 72 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1mio h GLU 73 N 0.00 0.60 0.00 -0.78 4.81 -1.98 -2.62 114.58 114.61 1mio h GLU 73 Ca -0.29 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.87 1mio h GLU 73 Cb 1.05 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1mio h GLU 73 CO 0.46 0.40 -0.19 0.78 -0.73 0.00 0.00 179.01 179.73 1mio h GLY 74 N 0.62 0.00 2.00 1.92 0.00 -1.97 -1.59 103.07 104.05 1mio h GLY 74 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1mio h GLY 74 CO -0.40 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.14 1mio h ALA 75 N 1.81 1.00 -0.13 3.60 0.00 -1.67 -2.09 119.26 121.78 1mio h ALA 75 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mio h ALA 75 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1mio h ALA 75 CO 0.02 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.70 1mio n SER 76 N -2.99 1.54 0.10 0.00 7.64 -0.60 -1.94 113.62 117.38 1mio n SER 76 Ca 0.02 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 57.78 1mio n SER 76 Cb 0.39 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1mio n SER 76 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1mio n VAL 77 N 0.06 0.27 0.12 0.44 0.31 -1.06 -4.93 118.33 113.53 1mio n VAL 77 Ca 0.05 0.09 0.10 0.00 -0.01 0.00 0.00 64.34 64.57 1mio n VAL 77 Cb 0.33 -0.78 0.26 0.00 -0.91 0.00 0.00 33.84 32.74 1mio n VAL 77 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1mio n PHE 78 N -3.35 0.79 0.00 3.52 3.72 -0.81 -5.06 117.46 116.27 1mio n PHE 78 Ca 0.00 -0.39 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 1mio n PHE 78 Cb 0.02 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 1mio n PHE 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mio n GLY 79 N 1.44 -1.42 1.76 1.37 0.00 -0.82 -4.67 105.19 102.86 1mio n GLY 79 Ca 0.20 -1.57 0.02 0.00 0.00 0.00 0.00 46.02 44.66 1mio n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mio n GLY 80 N -1.31 3.50 0.11 -0.02 0.00 -1.26 -4.38 105.19 101.82 1mio n GLY 80 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 1mio n GLY 80 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mio h GLY 81 N 3.04 -0.14 1.10 -0.02 0.00 -1.95 -2.52 103.07 102.58 1mio h GLY 81 Ca 0.11 0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.56 1mio h GLY 81 CO 0.55 -0.05 0.43 1.48 0.00 0.00 0.00 176.54 178.94 1mio h SER 82 N -0.79 0.54 -0.08 0.19 4.64 -1.89 0.14 113.55 116.31 1mio h SER 82 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1mio h SER 82 Cb 0.57 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1mio h SER 82 CO 0.02 0.35 -0.06 0.78 -0.87 0.00 0.00 176.83 177.05 1mio h ASN 83 N 0.61 0.19 -0.20 4.97 2.35 -1.84 -1.95 115.58 119.71 1mio h ASN 83 Ca 0.28 -0.45 -0.17 0.00 -0.55 0.00 0.00 56.30 55.41 1mio h ASN 83 Cb 0.32 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 1mio h ASN 83 CO -0.09 0.60 -0.51 0.16 -1.65 0.00 0.00 177.43 175.94 1mio h ILE 84 N -0.22 1.29 -0.73 2.81 3.07 -0.93 -2.36 117.51 120.44 1mio h ILE 84 Ca 0.02 -1.71 0.06 0.00 1.55 0.00 0.00 64.86 64.77 1mio h ILE 84 Cb 0.54 1.62 -0.04 0.00 -0.27 0.00 0.00 36.82 38.67 1mio h ILE 84 CO 0.02 0.55 0.48 0.11 -1.05 0.00 0.00 178.15 178.26 1mio h LYS 85 N 0.61 0.76 -0.11 0.16 1.57 -0.67 0.16 116.57 119.05 1mio h LYS 85 Ca 0.02 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 1mio h LYS 85 Cb 1.10 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 33.25 1mio h LYS 85 CO 0.11 0.50 -0.60 1.15 -0.57 0.00 0.00 179.45 180.04 1mio h THR 86 N 0.78 1.34 -0.83 -0.16 2.02 -1.28 -3.13 112.91 111.66 1mio h THR 86 Ca 0.31 -1.90 0.01 0.00 0.77 0.00 0.00 66.41 65.60 1mio h THR 86 Cb 0.22 2.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.76 1mio h THR 86 CO -0.10 0.58 0.55 0.00 0.37 0.00 0.00 175.52 176.91 1mio h ALA 87 N 0.48 1.05 -0.56 6.16 0.00 -0.86 -1.32 119.26 124.21 1mio h ALA 87 Ca -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1mio h ALA 87 Cb 1.25 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1mio h ALA 87 CO 0.12 0.45 0.26 0.28 0.00 0.00 0.00 179.25 180.37 1mio h VAL 88 N 1.11 1.19 -0.15 0.00 2.07 -0.65 -0.50 116.25 119.32 1mio h VAL 88 Ca 0.31 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1mio h VAL 88 Cb -0.12 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1mio h VAL 88 CO -0.07 0.22 -0.03 0.11 0.02 0.00 0.00 177.57 177.82 1mio h LYS 89 N 0.79 0.29 0.00 1.57 1.57 -1.36 -2.31 116.57 117.12 1mio h LYS 89 Ca 0.20 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1mio h LYS 89 Cb 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1mio h LYS 89 CO -0.03 0.56 -0.49 -0.91 -0.57 0.00 0.00 179.45 178.02 1mio h ASN 90 N -0.00 0.00 0.05 0.86 2.35 -0.63 -2.34 115.58 115.86 1mio h ASN 90 Ca 0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1mio h ASN 90 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1mio h ASN 90 CO 0.01 0.49 -0.02 0.40 -1.65 0.00 0.00 177.43 176.66 1mio h ILE 91 N 0.00 1.20 -0.24 2.81 2.04 -1.07 -2.44 117.51 119.82 1mio h ILE 91 Ca -0.00 -0.83 -0.12 0.00 1.00 0.00 0.00 64.86 64.90 1mio h ILE 91 Cb 0.96 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1mio h ILE 91 CO 0.06 0.21 -0.36 -0.26 0.00 0.00 0.00 178.15 177.80 1mio h PHE 92 N -0.43 0.61 -0.04 1.37 0.04 -1.21 -1.00 116.94 116.26 1mio h PHE 92 Ca -0.01 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 60.57 1mio h PHE 92 Cb 0.39 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1mio h PHE 92 CO 0.05 0.81 -0.08 0.77 -0.60 0.00 0.00 178.31 179.26 1mio h SER 93 N 0.44 0.15 0.24 2.17 0.02 -1.52 -3.15 113.55 111.90 1mio h SER 93 Ca 0.05 -0.56 -0.34 0.00 -0.84 0.00 0.00 61.79 60.09 1mio h SER 93 Cb 0.84 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 1mio h SER 93 CO 0.07 0.68 -1.92 0.18 -1.14 0.00 0.00 176.83 174.70 1mio n LEU 94 N -4.70 2.04 -0.00 5.07 4.77 -0.92 -4.67 117.00 118.60 1mio n LEU 94 Ca -0.08 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1mio n LEU 94 Cb 0.34 -0.68 -0.01 0.00 -2.33 0.00 0.00 43.42 40.74 1mio n LEU 94 CO 0.36 0.70 -0.15 -1.22 -1.33 0.00 0.00 177.39 175.76 1mio n TYR 95 N -3.33 0.00 -3.80 -1.77 4.01 -0.57 -5.08 117.16 106.62 1mio n TYR 95 Ca -0.27 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.12 1mio n TYR 95 Cb 1.05 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 40.11 1mio n TYR 95 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1mio n ASN 96 N -1.17 -5.00 -4.79 7.72 5.15 -0.49 -5.00 115.26 111.69 1mio n ASN 96 Ca 0.00 -1.07 -0.33 0.00 -0.60 0.00 0.00 54.58 52.57 1mio n ASN 96 Cb 0.02 -2.71 0.01 0.00 -0.53 0.00 0.00 39.78 36.56 1mio n ASN 96 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1mio s PRO 97 N -6.27 3.33 0.17 1.20 0.04 -1.26 -4.95 135.00 127.26 1mio s PRO 97 Ca 0.42 1.29 -0.04 0.00 0.04 0.00 0.00 61.00 62.72 1mio s PRO 97 Cb -0.18 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.37 1mio s PRO 97 CO 0.90 -0.81 1.44 -0.44 0.04 0.00 0.00 177.00 178.12 1mio h ASP 98 N 0.63 0.61 -4.98 6.66 5.19 -1.51 -3.46 116.42 119.57 1mio h ASP 98 Ca -0.48 -0.37 -0.16 0.00 -0.62 0.00 0.00 57.03 55.41 1mio h ASP 98 Cb 1.23 -0.18 -0.21 0.00 0.18 0.00 0.00 39.33 40.35 1mio h ASP 98 CO 0.57 1.11 -0.60 -0.51 -3.12 0.00 0.00 179.24 176.69 1mio s ILE 99 N -3.79 0.10 -0.08 0.35 2.07 -1.18 -2.20 121.20 116.47 1mio s ILE 99 Ca -0.07 -0.80 0.04 0.00 -1.41 0.00 0.00 60.65 58.41 1mio s ILE 99 Cb 0.10 -0.34 0.00 0.00 0.13 0.00 0.00 42.46 42.35 1mio s ILE 99 CO 0.85 -0.44 -0.21 -0.63 -1.91 0.00 0.00 174.94 172.60 1mio s ILE 100 N -1.42 1.79 -0.33 2.00 1.01 0.51 -3.02 121.20 121.74 1mio s ILE 100 Ca -0.15 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 59.54 1mio s ILE 100 Cb -0.09 -1.56 0.02 0.00 0.01 0.00 0.00 42.46 40.85 1mio s ILE 100 CO 0.00 0.50 0.12 0.00 0.00 0.00 0.00 174.94 175.57 1mio s ALA 101 N 0.31 3.12 -0.00 9.38 0.00 -0.94 -0.19 121.76 133.44 1mio s ALA 101 Ca -0.14 -1.61 -0.09 0.00 0.00 0.00 0.00 51.96 50.12 1mio s ALA 101 Cb -0.16 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 1mio s ALA 101 CO 0.06 -1.17 0.30 0.08 0.00 0.00 0.00 175.76 175.03 1mio s VAL 102 N 1.49 5.24 0.11 0.00 1.01 -0.59 -0.25 120.40 127.42 1mio s VAL 102 Ca 0.01 0.36 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 1mio s VAL 102 Cb -0.18 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1mio s VAL 102 CO 0.04 0.44 0.25 -1.38 0.00 0.00 0.00 175.10 174.45 1mio s HIS 103 N -1.23 0.15 0.55 5.22 -3.43 -1.05 -1.45 115.29 114.06 1mio s HIS 103 Ca 0.26 -0.55 0.04 0.00 -0.80 0.00 0.00 55.06 54.01 1mio s HIS 103 Cb -0.14 0.00 0.03 0.00 -1.43 0.00 0.00 32.58 31.05 1mio s HIS 103 CO 0.14 -0.62 0.33 0.95 -2.00 0.00 0.00 174.74 173.54 1mio s THR 104 N -3.88 1.46 0.30 -5.38 -4.23 -1.20 -0.97 115.64 101.75 1mio s THR 104 Ca 0.08 -1.60 0.03 0.00 -1.18 0.00 0.00 61.69 59.01 1mio s THR 104 Cb 0.04 -2.06 -0.06 0.00 1.34 0.00 0.00 72.50 71.76 1mio s THR 104 CO -0.08 0.00 0.08 -0.89 -0.54 0.00 0.00 174.62 173.18 1mio s THR 105 N -2.82 0.92 0.44 3.99 2.01 -1.24 -4.41 115.64 114.54 1mio s THR 105 Ca 0.26 -2.00 0.14 0.00 0.31 0.00 0.00 61.69 60.40 1mio s THR 105 Cb -0.02 -2.71 0.32 0.00 0.01 0.00 0.00 72.50 70.10 1mio s THR 105 CO 0.16 0.00 2.00 0.00 -0.69 0.00 0.00 174.62 176.09 1mio h LEU 107 N 0.37 -0.10 -1.27 0.00 5.85 -1.97 0.41 115.31 118.60 1mio h LEU 107 Ca 0.25 0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.11 1mio h LEU 107 Cb 0.49 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 1mio h LEU 107 CO -0.06 -0.06 0.57 0.77 -0.34 0.00 0.00 178.44 179.32 1mio h SER 108 N -0.14 0.68 0.12 1.25 4.64 -1.80 0.16 113.55 118.45 1mio h SER 108 Ca -0.01 0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 1mio h SER 108 Cb 0.09 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1mio h SER 108 CO 0.02 0.35 -0.38 -0.33 -0.87 0.00 0.00 176.83 175.62 1mio h GLU 109 N 0.72 0.36 0.07 4.77 4.39 -1.21 0.21 114.58 123.88 1mio h GLU 109 Ca 0.44 -0.17 -0.28 0.00 0.34 0.00 0.00 59.36 59.70 1mio h GLU 109 Cb 0.68 -0.01 0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1mio h GLU 109 CO -0.20 0.69 -1.15 1.15 -1.16 0.00 0.00 179.01 178.33 1mio h THR 110 N 0.30 1.29 0.00 1.13 2.02 0.92 -2.93 112.91 115.65 1mio h THR 110 Ca 0.03 -2.38 -0.00 0.00 0.77 0.00 0.00 66.41 64.83 1mio h THR 110 Cb 0.81 2.55 -0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1mio h THR 110 CO 0.06 0.73 -0.02 -0.07 0.37 0.00 0.00 175.52 176.59 1mio h LEU 111 N 0.32 0.00 0.21 2.58 3.38 -0.25 -3.46 115.31 118.10 1mio h LEU 111 Ca -0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1mio h LEU 111 Cb 1.82 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.57 1mio h LEU 111 CO 0.22 0.02 -0.15 0.61 0.09 0.00 0.00 178.44 179.24 1mio n GLY 112 N -0.90 0.29 3.57 0.83 0.00 0.63 -4.94 105.19 104.67 1mio n GLY 112 Ca -0.02 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1mio n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mio s ASP 113 N -2.86 5.73 -1.11 1.61 1.11 -0.53 -4.90 116.67 115.71 1mio s ASP 113 Ca 0.05 0.63 -0.26 0.00 0.18 0.00 0.00 52.55 53.15 1mio s ASP 113 Cb -0.02 -2.53 -0.20 0.00 1.07 0.00 0.00 42.92 41.23 1mio s ASP 113 CO 0.06 -1.96 2.07 -0.67 1.18 0.00 0.00 175.17 175.85 1mio n ASP 114 N 11.01 1.75 0.28 0.27 2.03 -1.26 -4.89 116.55 125.74 1mio n ASP 114 Ca 0.19 -2.54 -0.17 0.00 0.52 0.00 0.00 54.79 52.79 1mio n ASP 114 Cb 0.50 -1.74 -0.09 0.00 -0.72 0.00 0.00 41.12 39.06 1mio n ASP 114 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1mio h LEU 115 N 21.50 -1.32 -1.53 -2.67 3.38 -2.00 -2.83 115.31 129.83 1mio h LEU 115 Ca 0.05 0.11 0.42 0.00 0.09 0.00 0.00 57.88 58.55 1mio h LEU 115 Cb 0.98 0.44 -0.11 0.00 0.09 0.00 0.00 40.66 42.06 1mio h LEU 115 CO 1.05 -0.63 0.90 1.55 0.09 0.00 0.00 178.44 181.40 1mio h PRO 116 N -0.95 0.10 0.00 1.13 0.13 -1.99 0.93 132.00 131.35 1mio h PRO 116 Ca -0.06 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.91 1mio h PRO 116 Cb 0.83 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 1mio h PRO 116 CO -0.06 0.07 -0.75 1.79 -0.23 0.00 0.00 178.00 178.82 1mio h THR 117 N 0.11 1.41 -0.35 1.56 1.35 -1.93 -2.09 112.91 112.97 1mio h THR 117 Ca 0.78 -2.68 -0.16 0.00 -0.55 0.00 0.00 66.41 63.81 1mio h THR 117 Cb 2.55 2.49 -0.00 0.00 -1.73 0.00 0.00 68.15 71.46 1mio h THR 117 CO -0.31 0.73 -0.40 1.88 -0.25 0.00 0.00 175.52 177.17 1mio h TYR 118 N 0.00 1.08 0.20 4.73 0.05 -0.79 -1.69 116.97 120.54 1mio h TYR 118 Ca -0.01 -0.34 0.00 0.00 0.05 0.00 0.00 58.73 58.44 1mio h TYR 118 Cb 1.43 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.94 1mio h TYR 118 CO 0.00 1.16 -0.19 0.82 -1.05 0.00 0.00 178.16 178.90 1mio h ILE 119 N 0.69 0.58 -0.64 -2.88 1.08 -1.21 -0.71 117.51 114.43 1mio h ILE 119 Ca 0.05 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.63 1mio h ILE 119 Cb 1.00 0.58 -0.08 0.00 -3.07 0.00 0.00 36.82 35.25 1mio h ILE 119 CO 0.10 0.00 0.22 0.28 -0.69 0.00 0.00 178.15 178.06 1mio h SER 120 N -0.42 0.18 -0.09 1.72 0.02 -1.29 -1.92 113.55 111.76 1mio h SER 120 Ca -0.00 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1mio h SER 120 Cb 0.39 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1mio h SER 120 CO -0.04 0.10 0.01 1.56 -1.14 0.00 0.00 176.83 177.32 1mio h GLN 121 N 0.38 0.05 0.13 3.45 4.20 -0.95 -0.61 115.11 121.77 1mio h GLN 121 Ca 0.33 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.03 1mio h GLN 121 Cb 0.45 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1mio h GLN 121 CO -0.35 0.03 -0.16 0.52 -0.67 0.00 0.00 178.83 178.21 1mio h MET 122 N 0.05 -0.29 -0.01 1.46 2.86 -0.30 0.94 114.93 119.65 1mio h MET 122 Ca 0.04 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1mio h MET 122 Cb 0.03 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1mio h MET 122 CO -0.05 -0.19 -0.03 -0.85 1.06 0.00 0.00 176.91 176.84 1mio n GLU 123 N -3.29 1.14 0.15 1.72 0.00 -1.21 -0.32 120.64 118.84 1mio n GLU 123 Ca -0.04 -0.40 0.02 0.00 0.00 0.00 0.00 57.16 56.75 1mio n GLU 123 Cb 0.14 -1.49 0.18 0.00 0.00 0.00 0.00 31.44 30.26 1mio n GLU 123 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 1mio h ASP 124 N 0.97 0.00 -0.99 -1.84 3.04 -0.95 -2.98 116.42 113.67 1mio h ASP 124 Ca 0.00 0.00 -0.67 0.00 -3.24 0.00 0.00 57.03 53.12 1mio h ASP 124 Cb 0.27 0.00 -0.29 0.00 -1.04 0.00 0.00 39.33 38.27 1mio h ASP 124 CO 0.00 0.51 0.82 0.00 -2.04 0.00 0.00 179.24 178.54 1mio n ALA 125 N -2.30 6.29 -2.08 4.15 0.00 0.31 -4.95 120.51 121.93 1mio n ALA 125 Ca 0.00 -3.48 -0.06 0.00 0.00 0.00 0.00 53.44 49.90 1mio n ALA 125 Cb 0.64 -1.73 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 1mio n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mio n GLY 126 N -0.92 -0.18 0.10 0.00 0.00 -0.99 -4.89 105.19 98.31 1mio n GLY 126 Ca 0.62 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.51 1mio n GLY 126 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1mio h SER 127 N 0.00 0.26 -3.64 1.61 0.02 -0.92 -3.43 113.55 107.45 1mio h SER 127 Ca -0.14 -0.33 -0.67 0.00 -0.84 0.00 0.00 61.79 59.81 1mio h SER 127 Cb 0.89 -0.09 -0.18 0.00 0.14 0.00 0.00 62.40 63.17 1mio h SER 127 CO 0.17 1.27 -0.29 -0.63 -1.14 0.00 0.00 176.83 176.22 1mio s ILE 128 N -2.65 5.17 1.50 3.27 1.01 -1.26 -4.86 121.20 123.37 1mio s ILE 128 Ca -0.05 -0.07 -0.25 0.00 0.00 0.00 0.00 60.65 60.28 1mio s ILE 128 Cb 0.08 -3.86 0.39 0.00 0.01 0.00 0.00 42.46 39.08 1mio s ILE 128 CO 0.85 -0.15 0.88 -0.81 0.00 0.00 0.00 174.94 175.71 1mio n PRO 129 N 5.39 -4.95 -2.60 2.79 -0.04 -1.26 -4.78 135.00 129.54 1mio n PRO 129 Ca -0.09 -1.47 -0.41 0.00 -0.04 0.00 0.00 63.50 61.48 1mio n PRO 129 Cb 0.49 -1.93 -0.04 0.00 -0.04 0.00 0.00 33.50 31.98 1mio n PRO 129 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1mio s GLU 130 N -5.10 4.58 0.00 0.54 8.01 -1.26 -2.30 118.70 123.17 1mio s GLU 130 Ca 0.68 1.59 0.00 0.00 0.01 0.00 0.00 54.97 57.24 1mio s GLU 130 Cb -0.12 -3.36 0.00 0.00 -4.31 0.00 0.00 34.13 26.34 1mio s GLU 130 CO 0.57 0.02 0.00 0.41 0.01 0.00 0.00 175.26 176.27 1mio n GLY 131 N 2.54 0.56 3.70 -1.39 0.00 -1.26 -5.04 105.19 104.30 1mio n GLY 131 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1mio n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mio s LYS 132 N -0.14 2.43 -0.07 1.61 -0.14 -0.97 -4.84 119.74 117.61 1mio s LYS 132 Ca 0.00 -1.38 -0.25 0.00 -1.36 0.00 0.00 55.97 52.98 1mio s LYS 132 Cb 0.00 -2.24 0.06 0.00 -1.68 0.00 0.00 37.83 33.97 1mio s LYS 132 CO 0.00 0.32 0.58 -0.51 -0.76 0.00 0.00 175.35 174.98 1mio s LEU 133 N -3.74 -0.24 -0.10 3.17 1.02 -0.94 -4.86 118.68 112.99 1mio s LEU 133 Ca 0.33 0.65 0.04 0.00 0.02 0.00 0.00 54.13 55.16 1mio s LEU 133 Cb -0.06 2.16 -0.00 0.00 0.02 0.00 0.00 46.19 48.31 1mio s LEU 133 CO 0.21 -0.51 -0.23 0.68 0.02 0.00 0.00 176.35 176.53 1mio s VAL 134 N -0.98 2.20 0.52 -1.59 -7.23 -1.26 -0.36 120.40 111.69 1mio s VAL 134 Ca -0.10 -0.97 0.03 0.00 -1.81 0.00 0.00 61.98 59.13 1mio s VAL 134 Cb -0.02 -1.85 0.01 0.00 0.56 0.00 0.00 36.38 35.08 1mio s VAL 134 CO 0.07 0.56 0.19 0.27 -0.31 0.00 0.00 175.10 175.88 1mio s ILE 135 N 0.29 1.45 0.02 -0.62 -4.36 0.74 -4.92 121.20 113.80 1mio s ILE 135 Ca -0.16 -1.76 -0.28 0.00 -0.26 0.00 0.00 60.65 58.19 1mio s ILE 135 Cb -0.17 -2.20 0.07 0.00 1.25 0.00 0.00 42.46 41.40 1mio s ILE 135 CO 0.08 0.00 0.65 -1.38 0.24 0.00 0.00 174.94 174.53 1mio s HIS 136 N -2.81 -0.61 0.01 1.37 -3.43 -1.26 -1.54 115.29 107.02 1mio s HIS 136 Ca 0.20 0.84 -0.01 0.00 -0.80 0.00 0.00 55.06 55.29 1mio s HIS 136 Cb 0.00 0.46 -0.01 0.00 -1.43 0.00 0.00 32.58 31.60 1mio s HIS 136 CO 0.12 -0.69 0.01 0.95 -2.00 0.00 0.00 174.74 173.13 1mio s THR 137 N -2.10 0.07 -0.34 -5.38 -4.23 -0.53 -4.67 115.64 98.46 1mio s THR 137 Ca -0.07 -0.58 -0.23 0.00 -1.18 0.00 0.00 61.69 59.64 1mio s THR 137 Cb -0.00 -0.21 0.00 0.00 1.34 0.00 0.00 72.50 73.63 1mio s THR 137 CO 0.02 -0.32 0.76 0.20 -0.54 0.00 0.00 174.62 174.74 1mio s ASN 138 N -0.95 6.57 -0.67 3.99 -0.87 -1.26 -3.25 114.94 118.49 1mio s ASN 138 Ca -0.10 0.44 0.05 0.00 -1.57 0.00 0.00 52.86 51.68 1mio s ASN 138 Cb -0.06 -2.39 0.23 0.00 -0.02 0.00 0.00 41.25 39.01 1mio s ASN 138 CO -0.00 -0.67 0.72 0.41 -2.57 0.00 0.00 177.10 174.99 1mio n THR 139 N 5.67 2.33 -1.89 1.60 -1.04 -1.26 -4.93 114.28 114.76 1mio n THR 139 Ca 0.03 -5.18 -0.32 0.00 -2.04 0.00 0.00 64.05 56.54 1mio n THR 139 Cb 0.48 -2.12 -0.04 0.00 -1.82 0.00 0.00 70.33 66.83 1mio n THR 139 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1mio s PRO 140 N -2.28 2.38 0.62 -2.82 0.04 -1.26 -3.91 135.00 127.77 1mio s PRO 140 Ca 0.36 0.51 0.24 0.00 0.04 0.00 0.00 61.00 62.15 1mio s PRO 140 Cb 0.10 -4.65 1.01 0.00 0.04 0.00 0.00 34.50 31.00 1mio s PRO 140 CO -0.04 -3.22 1.48 0.66 0.04 0.00 0.00 177.00 175.92 1mio h SER 141 N 14.61 0.00 -0.38 6.66 4.64 -1.85 -0.62 113.55 136.61 1mio h SER 141 Ca -0.13 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.99 1mio h SER 141 Cb 1.12 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.09 1mio h SER 141 CO 1.18 0.00 0.26 0.00 -0.87 0.00 0.00 176.83 177.40 1mio n TYR 142 N -3.22 1.18 -3.79 4.77 4.11 -1.26 -4.02 117.16 114.94 1mio n TYR 142 Ca 0.13 -1.08 -0.13 0.00 -0.00 0.00 0.00 57.90 56.83 1mio n TYR 142 Cb 1.10 -0.55 -0.13 0.00 -0.00 0.00 0.00 39.34 39.76 1mio n TYR 142 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1mio s VAL 143 N -1.31 -0.02 0.00 -3.48 1.01 -0.24 -5.12 120.40 111.24 1mio s VAL 143 Ca 0.22 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1mio s VAL 143 Cb 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.33 1mio s VAL 143 CO 0.04 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1mio n GLY 144 N 3.52 3.89 2.73 4.51 0.00 -1.26 -4.21 105.19 114.37 1mio n GLY 144 Ca -0.18 0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 1mio n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mio n SER 145 N 6.82 -1.44 0.11 1.61 3.41 -1.26 -4.72 113.62 118.15 1mio n SER 145 Ca 0.00 -1.88 0.19 0.00 -0.26 0.00 0.00 58.87 56.91 1mio n SER 145 Cb 0.00 2.37 0.63 0.00 -0.26 0.00 0.00 64.21 66.95 1mio n SER 145 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1mio h HIS 146 N 1.71 0.00 -0.01 7.33 2.07 -0.84 -0.80 115.15 124.62 1mio h HIS 146 Ca -0.22 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.08 1mio h HIS 146 Cb 0.87 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.86 1mio h HIS 146 CO 0.00 0.00 -0.92 -0.39 -3.07 0.00 0.00 177.93 173.55 1mio h VAL 147 N 0.00 1.40 -0.65 6.12 -1.51 -1.88 -2.76 116.25 116.96 1mio h VAL 147 Ca 0.19 -2.41 -0.04 0.00 -1.23 0.00 0.00 66.70 63.21 1mio h VAL 147 Cb 1.43 2.38 -0.03 0.00 -2.13 0.00 0.00 31.29 32.95 1mio h VAL 147 CO -0.00 0.72 0.26 0.74 -1.23 0.00 0.00 177.57 178.06 1mio h THR 148 N 0.24 1.24 0.55 7.19 2.02 -1.45 0.20 112.91 122.89 1mio h THR 148 Ca -0.07 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 1mio h THR 148 Cb 1.55 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1mio h THR 148 CO 0.16 0.29 -0.43 1.23 0.37 0.00 0.00 175.52 177.15 1mio h GLY 149 N 0.92 -1.08 0.38 2.16 0.00 -1.27 0.57 103.07 104.76 1mio h GLY 149 Ca 0.22 0.48 0.11 0.00 0.00 0.00 0.00 47.33 48.14 1mio h GLY 149 CO -0.02 -0.36 0.33 -2.75 0.00 0.00 0.00 176.54 173.74 1mio h PHE 150 N -0.95 0.59 -0.63 5.60 3.57 -1.17 0.12 116.94 124.09 1mio h PHE 150 Ca -0.06 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.57 1mio h PHE 150 Cb 0.80 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 39.31 1mio h PHE 150 CO -0.17 0.18 0.23 0.00 -2.23 0.00 0.00 178.31 176.31 1mio h ALA 151 N 1.46 0.81 -0.19 2.41 0.00 -0.80 -1.95 119.26 120.99 1mio h ALA 151 Ca 0.36 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 55.16 1mio h ALA 151 Cb 0.44 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1mio h ALA 151 CO -0.30 -0.20 -0.68 -0.91 0.00 0.00 0.00 179.25 177.16 1mio h ASN 152 N 0.40 0.93 -0.66 0.00 2.35 0.60 -1.65 115.58 117.55 1mio h ASN 152 Ca 0.32 -0.60 -0.05 0.00 -0.55 0.00 0.00 56.30 55.42 1mio h ASN 152 Cb 0.42 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 1mio h ASN 152 CO -0.33 1.37 0.20 -0.03 -1.65 0.00 0.00 177.43 176.99 1mio h MET 153 N 0.54 1.03 -0.25 0.81 4.05 -0.39 -1.19 114.93 119.53 1mio h MET 153 Ca -0.03 -0.22 -0.09 0.00 -0.28 0.00 0.00 59.70 59.07 1mio h MET 153 Cb 1.30 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.94 1mio h MET 153 CO 0.14 0.90 -0.24 0.28 0.23 0.00 0.00 176.91 178.23 1mio h VAL 154 N 0.96 1.26 0.02 -5.77 2.07 -1.39 0.12 116.25 113.52 1mio h VAL 154 Ca 0.21 -1.24 -0.20 0.00 0.82 0.00 0.00 66.70 66.29 1mio h VAL 154 Cb 0.30 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1mio h VAL 154 CO -0.01 0.39 -0.92 0.06 0.02 0.00 0.00 177.57 177.12 1mio h GLN 155 N 0.43 0.14 -0.56 1.57 -0.00 -0.85 -2.22 115.11 113.61 1mio h GLN 155 Ca 0.06 -0.17 0.06 0.00 -0.00 0.00 0.00 58.65 58.61 1mio h GLN 155 Cb 0.65 0.05 -0.05 0.00 -0.00 0.00 0.00 27.48 28.13 1mio h GLN 155 CO 0.05 0.96 0.26 0.78 -0.00 0.00 0.00 178.83 180.88 1mio h GLY 156 N 2.11 0.79 1.25 0.06 0.00 -0.47 -0.81 103.07 106.00 1mio h GLY 156 Ca -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1mio h GLY 156 CO 0.14 0.08 0.40 -2.22 0.00 0.00 0.00 176.54 174.93 1mio h ILE 157 N 0.49 1.21 -0.16 2.60 2.04 -0.98 -1.27 117.51 121.45 1mio h ILE 157 Ca 0.26 -0.52 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 1mio h ILE 157 Cb 0.21 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1mio h ILE 157 CO -0.20 0.24 -0.14 -0.37 0.00 0.00 0.00 178.15 177.67 1mio h VAL 158 N 1.00 1.34 -0.81 1.67 -1.51 -0.75 -2.68 116.25 114.51 1mio h VAL 158 Ca 0.26 -1.29 0.20 0.00 -1.23 0.00 0.00 66.70 64.64 1mio h VAL 158 Cb 0.02 1.83 -0.13 0.00 -2.13 0.00 0.00 31.29 30.88 1mio h VAL 158 CO -0.04 0.38 0.20 0.78 -1.23 0.00 0.00 177.57 177.66 1mio h ASN 159 N 0.01 -0.00 0.79 4.19 2.35 -0.79 -1.82 115.58 120.32 1mio h ASN 159 Ca 0.03 0.17 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 1mio h ASN 159 Cb 0.67 0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 1mio h ASN 159 CO 0.04 -0.10 -1.28 -1.22 -1.65 0.00 0.00 177.43 173.22 1mio n TYR 160 N -5.19 0.94 0.00 1.19 4.02 -0.51 -4.80 117.16 112.80 1mio n TYR 160 Ca 0.18 0.30 -0.02 0.00 -0.01 0.00 0.00 57.90 58.34 1mio n TYR 160 Cb 0.57 -1.02 -0.01 0.00 -0.02 0.00 0.00 39.34 38.86 1mio n TYR 160 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1mio n LEU 161 N -2.78 0.52 -4.56 7.72 7.99 -0.85 -4.97 117.00 120.06 1mio n LEU 161 Ca -0.06 0.07 -0.26 0.00 -0.01 0.00 0.00 56.01 55.76 1mio n LEU 161 Cb 0.72 -0.18 -0.05 0.00 -0.11 0.00 0.00 43.42 43.80 1mio n LEU 161 CO 0.42 -0.19 1.35 -0.94 -1.51 0.00 0.00 177.39 176.52 1mio s SER 162 N -5.49 5.02 0.07 -1.43 1.04 -0.74 -4.39 113.70 107.78 1mio s SER 162 Ca -0.04 -0.72 0.03 0.00 0.48 0.00 0.00 55.95 55.70 1mio s SER 162 Cb 0.01 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 1mio s SER 162 CO 0.05 -2.88 0.07 -1.83 0.98 0.00 0.00 173.24 169.63 1mio s GLU 163 N 7.11 2.89 -0.53 4.02 -1.05 -0.89 -4.23 118.70 126.03 1mio s GLU 163 Ca 0.72 -0.67 -0.18 0.00 -0.15 0.00 0.00 54.97 54.69 1mio s GLU 163 Cb -0.07 -2.73 0.08 0.00 -0.44 0.00 0.00 34.13 30.97 1mio s GLU 163 CO 0.01 0.58 0.61 1.21 0.95 0.00 0.00 175.26 178.62 1mio s ASN 164 N -2.27 6.20 0.00 0.83 3.84 -1.26 -3.45 114.94 118.83 1mio s ASN 164 Ca 0.28 -1.16 0.17 0.00 0.21 0.00 0.00 52.86 52.36 1mio s ASN 164 Cb -0.12 -2.27 0.49 0.00 -0.55 0.00 0.00 41.25 38.79 1mio s ASN 164 CO 0.20 -0.92 1.40 0.35 -2.79 0.00 0.00 177.10 175.35 1mio n THR 165 N 5.52 0.63 0.00 -5.21 -2.24 -1.26 -4.96 114.28 106.75 1mio n THR 165 Ca -0.09 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1mio n THR 165 Cb 0.44 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1mio n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mio n GLY 166 N 1.33 1.42 3.57 3.38 0.00 -1.26 -4.92 105.19 108.70 1mio n GLY 166 Ca 0.18 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1mio n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mio n ALA 167 N 0.00 1.09 -2.70 4.61 0.00 -1.26 -4.88 120.51 117.36 1mio n ALA 167 Ca 0.00 -2.66 -0.41 0.00 0.00 0.00 0.00 53.44 50.37 1mio n ALA 167 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 19.45 15.98 1mio n ALA 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1mio s LYS 168 N 7.41 4.45 0.98 0.00 -2.85 -1.26 -4.93 119.74 123.54 1mio s LYS 168 Ca 0.74 1.15 -0.17 0.00 -1.00 0.00 0.00 55.97 56.69 1mio s LYS 168 Cb -0.02 -3.48 0.24 0.00 -2.06 0.00 0.00 37.83 32.50 1mio s LYS 168 CO 0.16 -0.08 1.01 0.27 0.10 0.00 0.00 175.35 176.81 1mio n ASN 169 N 4.20 -1.21 -1.61 0.03 0.23 -0.75 -5.01 115.26 111.13 1mio n ASN 169 Ca 0.03 -1.20 -0.16 0.00 -0.53 0.00 0.00 54.58 52.73 1mio n ASN 169 Cb 0.50 -0.87 0.10 0.00 -2.08 0.00 0.00 39.78 37.44 1mio n ASN 169 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mio n GLY 170 N -3.29 5.78 3.84 4.83 0.00 -1.26 -4.59 105.19 110.50 1mio n GLY 170 Ca 0.13 -2.05 -0.23 0.00 0.00 0.00 0.00 46.02 43.87 1mio n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mio s LYS 171 N -3.49 3.02 0.03 1.61 1.02 -1.26 -4.60 119.74 116.07 1mio s LYS 171 Ca 0.49 -0.94 0.05 0.00 0.02 0.00 0.00 55.97 55.59 1mio s LYS 171 Cb 0.41 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 1mio s LYS 171 CO 0.00 0.44 -0.11 0.96 -0.92 0.00 0.00 175.35 175.72 1mio s ILE 172 N -1.98 3.30 0.07 2.17 -5.25 -0.61 0.05 121.20 118.95 1mio s ILE 172 Ca 0.33 -0.98 0.00 0.00 -0.99 0.00 0.00 60.65 59.01 1mio s ILE 172 Cb -0.09 -2.43 -0.04 0.00 2.95 0.00 0.00 42.46 42.85 1mio s ILE 172 CO 0.25 0.34 0.21 0.20 -1.79 0.00 0.00 174.94 174.15 1mio s ASN 173 N -1.52 6.32 -0.02 4.36 0.01 -0.13 -1.57 114.94 122.39 1mio s ASN 173 Ca 0.17 0.25 -0.00 0.00 -0.71 0.00 0.00 52.86 52.57 1mio s ASN 173 Cb -0.11 -1.94 0.03 0.00 0.41 0.00 0.00 41.25 39.65 1mio s ASN 173 CO 0.07 0.16 0.03 0.54 -1.51 0.00 0.00 177.10 176.40 1mio s VAL 174 N -1.52 -0.05 -0.31 1.60 0.11 0.11 -1.08 120.40 119.25 1mio s VAL 174 Ca 0.35 0.23 -0.09 0.00 -2.93 0.00 0.00 61.98 59.54 1mio s VAL 174 Cb -0.13 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 1mio s VAL 174 CO 0.28 0.10 0.13 -0.63 -3.33 0.00 0.00 175.10 171.65 1mio s ILE 175 N 1.15 4.35 -1.24 7.04 1.01 -0.47 -2.81 121.20 130.23 1mio s ILE 175 Ca -0.08 -0.59 0.29 0.00 0.00 0.00 0.00 60.65 60.27 1mio s ILE 175 Cb -0.13 -3.26 0.39 0.00 0.01 0.00 0.00 42.46 39.47 1mio s ILE 175 CO -0.03 0.03 1.97 -0.81 0.00 0.00 0.00 174.94 176.10 1mio n PRO 176 N 4.94 0.23 0.00 2.79 -0.04 -1.26 -1.01 135.00 140.65 1mio n PRO 176 Ca -0.14 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1mio n PRO 176 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1mio n PRO 176 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mio n GLY 177 N 1.31 -2.41 3.49 0.55 0.00 -1.25 -4.39 105.19 102.50 1mio n GLY 177 Ca 0.11 -1.62 -0.44 0.00 0.00 0.00 0.00 46.02 44.07 1mio n GLY 177 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mio s PHE 178 N -0.54 3.27 0.24 1.61 5.36 -1.26 -4.88 117.98 121.78 1mio s PHE 178 Ca 0.00 -1.90 0.08 0.00 -0.96 0.00 0.00 56.93 54.15 1mio s PHE 178 Cb 0.00 -4.42 -0.05 0.00 -0.34 0.00 0.00 43.02 38.21 1mio s PHE 178 CO 0.00 -1.52 -0.12 0.14 -1.46 0.00 0.00 175.22 172.26 1mio s VAL 179 N 2.40 1.82 0.73 3.12 -7.23 -1.26 -5.01 120.40 114.97 1mio s VAL 179 Ca 0.44 -2.21 -0.11 0.00 -1.81 0.00 0.00 61.98 58.29 1mio s VAL 179 Cb -0.01 -2.21 0.03 0.00 0.56 0.00 0.00 36.38 34.74 1mio s VAL 179 CO 0.00 -0.47 1.07 -0.83 -0.31 0.00 0.00 175.10 174.57 1mio s GLY 180 N -3.39 1.65 0.55 2.32 0.00 -1.26 -4.77 107.32 102.42 1mio s GLY 180 Ca 0.26 -0.08 0.31 0.00 0.00 0.00 0.00 44.72 45.21 1mio s GLY 180 CO 0.10 0.27 1.88 -0.56 0.00 0.00 0.00 173.10 174.79 1mio h PRO 181 N -0.82 0.00 0.00 2.90 0.13 -1.83 0.18 132.00 132.56 1mio h PRO 181 Ca -0.45 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 1mio h PRO 181 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1mio h PRO 181 CO 0.59 0.00 -0.66 0.00 -0.23 0.00 0.00 178.00 177.70 1mio h ALA 182 N 1.52 0.59 0.00 -0.56 0.00 -1.89 -2.28 119.26 116.64 1mio h ALA 182 Ca 0.38 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1mio h ALA 182 Cb 1.62 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.31 1mio h ALA 182 CO -0.00 0.82 -0.29 -0.44 0.00 0.00 0.00 179.25 179.34 1mio h ASP 183 N 0.00 0.25 -0.30 0.00 5.19 -1.04 -2.47 116.42 118.05 1mio h ASP 183 Ca -0.01 -0.78 0.04 0.00 -0.62 0.00 0.00 57.03 55.66 1mio h ASP 183 Cb 1.48 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.90 1mio h ASP 183 CO 0.09 1.00 0.20 0.24 -3.12 0.00 0.00 179.24 177.65 1mio h MET 184 N -0.47 0.23 -0.16 3.56 2.86 -1.06 -1.53 114.93 118.35 1mio h MET 184 Ca -0.04 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.44 1mio h MET 184 Cb 1.05 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 1mio h MET 184 CO 0.06 0.15 -0.53 0.00 1.06 0.00 0.00 176.91 177.65 1mio h ARG 185 N 0.23 0.45 0.01 1.72 3.08 -1.35 -2.80 114.38 115.73 1mio h ARG 185 Ca 0.13 -0.27 -0.15 0.00 0.07 0.00 0.00 59.98 59.75 1mio h ARG 185 Cb 0.22 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.31 1mio h ARG 185 CO -0.02 0.87 -0.60 1.49 -1.07 0.00 0.00 179.97 180.63 1mio h GLU 186 N 0.35 0.39 0.00 0.04 4.57 -0.95 -2.57 114.58 116.41 1mio h GLU 186 Ca 0.01 -0.43 -0.04 0.00 -1.18 0.00 0.00 59.36 57.71 1mio h GLU 186 Cb 1.04 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 1mio h GLU 186 CO 0.09 1.11 -0.20 0.82 -1.18 0.00 0.00 179.01 179.65 1mio h ILE 187 N -0.15 0.94 -0.27 2.32 2.04 -1.33 -0.05 117.51 121.01 1mio h ILE 187 Ca -0.08 -0.75 -0.16 0.00 1.00 0.00 0.00 64.86 64.87 1mio h ILE 187 Cb 1.33 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1mio h ILE 187 CO 0.12 0.20 -0.47 0.11 0.00 0.00 0.00 178.15 178.11 1mio h LYS 188 N 0.00 0.70 0.00 2.37 1.57 -1.52 -3.26 116.57 116.44 1mio h LYS 188 Ca -0.00 -0.40 -0.19 0.00 -1.87 0.00 0.00 60.65 58.19 1mio h LYS 188 Cb 0.41 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1mio h LYS 188 CO 0.03 1.02 -0.88 -0.09 -0.57 0.00 0.00 179.45 178.96 1mio h ARG 189 N 0.56 0.04 -0.38 3.15 2.43 -0.64 -0.19 114.38 119.36 1mio h ARG 189 Ca 0.03 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 1mio h ARG 189 Cb 1.02 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1mio h ARG 189 CO 0.10 0.89 -0.08 -0.07 -1.51 0.00 0.00 179.97 179.29 1mio h LEU 190 N 0.02 0.63 -1.18 3.80 -0.00 -1.27 -0.48 115.31 116.82 1mio h LEU 190 Ca -0.02 -0.16 -0.02 0.00 -0.00 0.00 0.00 57.88 57.68 1mio h LEU 190 Cb 1.54 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 42.00 1mio h LEU 190 CO 0.12 0.75 0.32 -0.26 -0.00 0.00 0.00 178.44 179.37 1mio h PHE 191 N 0.60 0.87 -0.43 1.13 0.04 -1.42 -0.38 116.94 117.35 1mio h PHE 191 Ca 0.11 -0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.71 1mio h PHE 191 Cb 0.50 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1mio h PHE 191 CO 0.02 0.63 -0.31 0.93 -0.60 0.00 0.00 178.31 178.98 1mio h GLU 192 N 0.89 0.97 -0.07 1.51 3.07 -0.65 -1.41 114.58 118.89 1mio h GLU 192 Ca 0.22 -0.47 -0.03 0.00 -0.50 0.00 0.00 59.36 58.58 1mio h GLU 192 Cb 0.07 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1mio h GLU 192 CO -0.03 1.13 -0.11 0.00 -1.40 0.00 0.00 179.01 178.60 1mio h ALA 193 N 0.82 1.69 0.00 3.43 0.00 -0.22 -2.95 119.26 122.03 1mio h ALA 193 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1mio h ALA 193 Cb 0.90 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1mio h ALA 193 CO 0.08 0.23 -0.34 -1.33 0.00 0.00 0.00 179.25 177.90 1mio n MET 194 N -4.35 0.19 -0.59 0.00 2.81 -0.23 -4.78 117.12 110.17 1mio n MET 194 Ca -0.02 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 1mio n MET 194 Cb 0.22 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 1mio n MET 194 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1mio n ASP 195 N -1.96 0.00 -4.71 7.83 2.03 -0.55 -5.00 116.55 114.19 1mio n ASP 195 Ca 0.05 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.94 1mio n ASP 195 Cb 0.41 -0.10 -0.03 0.00 -0.72 0.00 0.00 41.12 40.68 1mio n ASP 195 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1mio s ILE 196 N -3.49 3.38 0.10 5.18 1.01 -1.14 -4.98 121.20 121.27 1mio s ILE 196 Ca 0.00 0.94 -0.28 0.00 0.00 0.00 0.00 60.65 61.31 1mio s ILE 196 Cb 0.00 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 38.81 1mio s ILE 196 CO 0.00 0.05 0.90 -2.16 0.00 0.00 0.00 174.94 173.73 1mio s PRO 197 N 1.52 4.65 0.28 2.79 0.05 -1.26 -4.73 135.00 138.29 1mio s PRO 197 Ca 0.65 1.34 -0.03 0.00 0.05 0.00 0.00 61.00 63.02 1mio s PRO 197 Cb -0.36 -3.36 -0.02 0.00 0.05 0.00 0.00 34.50 30.81 1mio s PRO 197 CO 0.29 0.26 0.34 1.52 0.05 0.00 0.00 177.00 179.47 1mio s TYR 198 N -0.12 1.07 -0.06 0.56 1.13 -1.26 -1.57 117.35 117.10 1mio s TYR 198 Ca 0.44 -1.26 -0.02 0.00 -1.41 0.00 0.00 57.07 54.82 1mio s TYR 198 Cb -0.23 -0.27 0.03 0.00 -1.10 0.00 0.00 41.96 40.39 1mio s TYR 198 CO 0.28 -0.92 0.04 0.42 -2.51 0.00 0.00 175.55 172.86 1mio s ILE 199 N -3.64 0.09 -0.17 -3.49 1.01 -0.61 -4.91 121.20 109.48 1mio s ILE 199 Ca 0.33 0.27 -0.04 0.00 0.00 0.00 0.00 60.65 61.21 1mio s ILE 199 Cb 0.02 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 42.14 1mio s ILE 199 CO 0.17 0.19 -0.02 -0.32 0.00 0.00 0.00 174.94 174.96 1mio s MET 200 N 2.09 3.70 -0.06 2.79 -2.45 -1.26 0.04 119.30 124.15 1mio s MET 200 Ca 0.05 -0.50 -0.04 0.00 -1.25 0.00 0.00 55.69 53.95 1mio s MET 200 Cb -0.12 -2.99 0.03 0.00 1.25 0.00 0.00 34.83 32.99 1mio s MET 200 CO -0.04 0.20 0.15 -0.59 1.05 0.00 0.00 175.02 175.79 1mio s PHE 201 N 0.50 -0.17 0.94 4.11 -0.71 -1.12 -4.55 117.98 116.97 1mio s PHE 201 Ca -0.02 0.45 -0.12 0.00 -1.04 0.00 0.00 56.93 56.21 1mio s PHE 201 Cb -0.14 0.00 0.15 0.00 -1.21 0.00 0.00 43.02 41.83 1mio s PHE 201 CO 0.02 -0.12 1.09 -2.14 -1.34 0.00 0.00 175.22 172.73 1mio s PRO 202 N 0.56 0.92 -0.32 1.99 0.02 -1.26 -4.36 135.00 132.56 1mio s PRO 202 Ca -0.04 0.77 -0.02 0.00 0.02 0.00 0.00 61.00 61.72 1mio s PRO 202 Cb -0.06 -1.77 0.11 0.00 0.02 0.00 0.00 34.50 32.80 1mio s PRO 202 CO -0.03 -2.46 0.16 0.34 -0.33 0.00 0.00 177.00 174.68 1mio s ASP 203 N -3.36 3.43 -0.08 2.53 2.15 -0.85 -4.75 116.67 115.74 1mio s ASP 203 Ca 0.64 -1.66 0.03 0.00 0.43 0.00 0.00 52.55 51.99 1mio s ASP 203 Cb -0.19 -0.45 0.20 0.00 -0.30 0.00 0.00 42.92 42.18 1mio s ASP 203 CO 0.58 -0.39 0.96 0.35 -0.17 0.00 0.00 175.17 176.50 1mio n THR 204 N 4.77 1.00 0.21 1.71 -2.24 -1.26 -1.98 114.28 116.49 1mio n THR 204 Ca 0.01 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 1mio n THR 204 Cb 0.40 -0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 68.00 1mio n THR 204 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1mio h SER 205 N 0.75 -0.49 -0.04 3.42 0.02 -1.92 -2.83 113.55 112.46 1mio h SER 205 Ca 0.06 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1mio h SER 205 Cb 1.09 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1mio h SER 205 CO 0.18 -0.19 0.01 0.61 -1.14 0.00 0.00 176.83 176.30 1mio n GLY 206 N -0.08 1.79 0.57 -3.77 0.00 -1.26 -4.34 105.19 98.10 1mio n GLY 206 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1mio n GLY 206 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mio n VAL 207 N 0.17 0.00 1.79 1.61 0.31 -1.14 -2.92 118.33 118.16 1mio n VAL 207 Ca 0.02 0.03 0.15 0.00 -0.01 0.00 0.00 64.34 64.53 1mio n VAL 207 Cb 0.40 -0.86 0.78 0.00 -0.91 0.00 0.00 33.84 33.25 1mio n VAL 207 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1mio n LEU 208 N -1.96 0.59 -4.09 7.52 4.77 -1.08 -4.42 117.00 118.32 1mio n LEU 208 Ca 0.00 -0.19 -0.19 0.00 -0.03 0.00 0.00 56.01 55.60 1mio n LEU 208 Cb 0.00 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.95 1mio n LEU 208 CO 0.00 0.10 -0.45 1.51 -1.33 0.00 0.00 177.39 177.22 1mio s ASP 209 N -2.01 1.36 0.00 -1.43 -4.77 -1.26 -4.78 116.67 103.78 1mio s ASP 209 Ca 0.44 -0.38 0.00 0.00 -3.30 0.00 0.00 52.55 49.31 1mio s ASP 209 Cb 0.22 -0.09 0.00 0.00 -1.09 0.00 0.00 42.92 41.96 1mio s ASP 209 CO 0.36 0.02 0.00 0.61 0.70 0.00 0.00 175.17 176.86 1mio n GLY 210 N 2.13 0.82 3.77 2.12 0.00 -1.26 -4.61 105.19 108.16 1mio n GLY 210 Ca -0.17 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 1mio n GLY 210 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mio s PRO 211 N -2.00 4.19 -0.42 1.61 0.04 -1.26 -5.05 135.00 132.11 1mio s PRO 211 Ca 0.00 0.50 -0.29 0.00 0.04 0.00 0.00 61.00 61.25 1mio s PRO 211 Cb 0.00 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.22 1mio s PRO 211 CO 0.00 0.40 1.35 0.99 0.04 0.00 0.00 177.00 179.78 1mio s THR 212 N -0.20 3.98 0.17 1.26 2.01 -1.26 -4.77 115.64 116.83 1mio s THR 212 Ca 0.26 1.01 -0.07 0.00 0.31 0.00 0.00 61.69 63.19 1mio s THR 212 Cb -0.16 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 1mio s THR 212 CO 0.13 -0.80 1.50 0.74 -0.69 0.00 0.00 174.62 175.50 1mio h THR 213 N 6.39 1.29 0.00 -0.82 2.02 -2.05 -3.48 112.91 116.26 1mio h THR 213 Ca -0.26 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.29 1mio h THR 213 Cb 1.09 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 1mio h THR 213 CO 1.09 0.53 0.00 0.61 0.37 0.00 0.00 175.52 178.12 1mio n GLY 214 N 0.15 0.64 2.90 2.16 0.00 -1.26 -5.06 105.19 104.71 1mio n GLY 214 Ca -0.03 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 1mio n GLY 214 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mio s GLU 215 N -1.28 0.05 -0.16 1.61 2.12 -1.26 -5.15 118.70 114.63 1mio s GLU 215 Ca 0.00 -0.05 -0.03 0.00 0.36 0.00 0.00 54.97 55.25 1mio s GLU 215 Cb 0.00 0.02 -0.02 0.00 0.26 0.00 0.00 34.13 34.39 1mio s GLU 215 CO 0.00 -0.01 -0.07 -0.47 -0.54 0.00 0.00 175.26 174.17 1mio s TYR 216 N -0.16 2.94 -0.15 5.30 5.04 -1.26 -5.05 117.35 124.01 1mio s TYR 216 Ca -0.02 -0.52 -0.01 0.00 -2.44 0.00 0.00 57.07 54.08 1mio s TYR 216 Cb -0.01 -1.95 -0.01 0.00 0.35 0.00 0.00 41.96 40.34 1mio s TYR 216 CO -0.00 -0.19 -0.13 0.15 -1.34 0.00 0.00 175.55 174.04 1mio s LYS 217 N 0.57 3.32 0.33 4.97 1.02 -1.26 -5.02 119.74 123.67 1mio s LYS 217 Ca -0.05 -0.70 0.16 0.00 0.02 0.00 0.00 55.97 55.40 1mio s LYS 217 Cb -0.15 -2.68 0.49 0.00 -0.52 0.00 0.00 37.83 34.97 1mio s LYS 217 CO 0.03 0.08 1.65 1.98 -0.92 0.00 0.00 175.35 178.16 1mio h MET 218 N 7.14 0.00 -4.66 1.68 1.85 -1.98 -3.36 114.93 115.60 1mio h MET 218 Ca -0.31 0.00 -0.68 0.00 -0.61 0.00 0.00 59.70 58.11 1mio h MET 218 Cb 1.20 0.00 -0.37 0.00 0.43 0.00 0.00 31.60 32.86 1mio h MET 218 CO 0.57 0.47 -0.67 0.71 -0.40 0.00 0.00 176.91 177.59 1mio s TYR 219 N -3.47 3.56 0.77 1.39 2.02 -1.26 -4.96 117.35 115.39 1mio s TYR 219 Ca 0.00 -2.53 -0.13 0.00 -0.37 0.00 0.00 57.07 54.05 1mio s TYR 219 Cb 0.11 -2.76 0.06 0.00 -0.40 0.00 0.00 41.96 38.97 1mio s TYR 219 CO 0.72 -0.92 1.14 -2.14 -1.57 0.00 0.00 175.55 172.78 1mio s PRO 220 N 1.07 2.05 0.39 -1.71 0.02 -1.26 -4.96 135.00 130.60 1mio s PRO 220 Ca 0.05 1.48 0.17 0.00 0.02 0.00 0.00 61.00 62.72 1mio s PRO 220 Cb -0.20 -1.85 0.80 0.00 0.02 0.00 0.00 34.50 33.27 1mio s PRO 220 CO -0.05 -1.85 1.82 0.93 -0.33 0.00 0.00 177.00 177.52 1mio h GLU 221 N -0.80 0.00 0.00 5.54 4.39 -1.97 -3.43 114.58 118.31 1mio h GLU 221 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1mio h GLU 221 Cb 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1mio h GLU 221 CO 0.49 0.35 0.00 0.41 -1.16 0.00 0.00 179.01 179.10 1mio n GLY 222 N -0.20 -1.91 0.00 -3.84 0.00 -1.15 -4.92 105.19 93.17 1mio n GLY 222 Ca -0.01 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1mio n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mio n GLY 223 N 3.40 0.73 3.71 -0.02 0.00 -0.84 -4.48 105.19 107.70 1mio n GLY 223 Ca 0.00 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 1mio n GLY 223 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mio s THR 224 N -2.41 3.45 0.51 2.61 2.01 -0.24 -4.28 115.64 117.29 1mio s THR 224 Ca 0.00 1.03 -0.19 0.00 0.31 0.00 0.00 61.69 62.83 1mio s THR 224 Cb 0.00 -3.66 -0.07 0.00 0.01 0.00 0.00 72.50 68.78 1mio s THR 224 CO 0.00 0.07 1.06 -0.75 -0.69 0.00 0.00 174.62 174.31 1mio s LYS 225 N 1.19 3.64 0.31 4.92 2.20 -1.26 -0.99 119.74 129.74 1mio s LYS 225 Ca 0.64 1.39 0.13 0.00 -0.36 0.00 0.00 55.97 57.76 1mio s LYS 225 Cb -0.35 -2.07 0.49 0.00 -1.51 0.00 0.00 37.83 34.39 1mio s LYS 225 CO 0.30 -0.57 1.67 0.82 -0.36 0.00 0.00 175.35 177.21 1mio h ILE 226 N 1.32 1.28 0.00 5.43 5.03 -1.94 -0.65 117.51 127.98 1mio h ILE 226 Ca -0.49 -1.86 -0.03 0.00 -0.12 0.00 0.00 64.86 62.35 1mio h ILE 226 Cb 1.23 2.03 -0.00 0.00 -3.03 0.00 0.00 36.82 37.05 1mio h ILE 226 CO 0.58 0.52 -0.15 -0.33 -0.68 0.00 0.00 178.15 178.09 1mio h GLU 227 N 0.00 0.00 0.16 2.37 3.07 -2.00 -2.33 114.58 115.85 1mio h GLU 227 Ca -0.01 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.52 1mio h GLU 227 Cb 0.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1mio h GLU 227 CO 0.07 0.15 -1.68 -0.44 -1.40 0.00 0.00 179.01 175.70 1mio h ASP 228 N 0.00 0.53 0.02 1.42 5.19 -1.66 -3.24 116.42 118.67 1mio h ASP 228 Ca -0.00 -0.78 -0.04 0.00 -0.62 0.00 0.00 57.03 55.58 1mio h ASP 228 Cb 0.64 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 1mio h ASP 228 CO 0.02 1.66 -0.11 -0.07 -3.12 0.00 0.00 179.24 177.62 1mio h LEU 229 N 0.09 0.19 -0.82 1.55 3.38 -1.08 -2.37 115.31 116.25 1mio h LEU 229 Ca -0.31 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 1mio h LEU 229 Cb 2.07 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.75 1mio h LEU 229 CO 0.17 0.33 0.03 0.11 0.09 0.00 0.00 178.44 179.17 1mio h LYS 230 N 0.20 0.91 -0.54 1.13 1.57 -1.51 -3.22 116.57 115.11 1mio h LYS 230 Ca 0.04 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1mio h LYS 230 Cb 0.32 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1mio h LYS 230 CO 0.02 0.89 0.00 -3.47 -0.57 0.00 0.00 179.45 176.31 1mio n ASP 231 N -4.21 2.80 0.07 0.86 2.03 -0.91 -2.09 116.55 115.10 1mio n ASP 231 Ca 0.03 -2.18 0.10 0.00 0.52 0.00 0.00 54.79 53.26 1mio n ASP 231 Cb 0.30 -0.40 0.42 0.00 -0.72 0.00 0.00 41.12 40.73 1mio n ASP 231 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1mio n THR 232 N 0.63 0.85 0.11 5.18 -1.04 -1.12 -3.30 114.28 115.58 1mio n THR 232 Ca 0.15 0.20 0.03 0.00 -2.04 0.00 0.00 64.05 62.40 1mio n THR 232 Cb 0.51 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 1mio n THR 232 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1mio h GLY 233 N 2.59 0.00 -6.12 3.41 0.00 -1.57 -3.40 103.07 97.98 1mio h GLY 233 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1mio h GLY 233 CO 0.00 0.00 -0.81 1.16 0.00 0.00 0.00 176.54 176.89 1mio n ASN 234 N -3.06 2.25 -4.39 0.19 0.23 -1.21 -4.44 115.26 104.83 1mio n ASN 234 Ca -0.02 -3.13 -0.20 0.00 -0.53 0.00 0.00 54.58 50.70 1mio n ASN 234 Cb 0.73 -0.66 -0.10 0.00 -2.08 0.00 0.00 39.78 37.67 1mio n ASN 234 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1mio s SER 235 N -1.92 2.89 0.38 0.53 1.04 -1.26 -1.81 113.70 113.56 1mio s SER 235 Ca 0.38 -1.05 0.18 0.00 0.48 0.00 0.00 55.95 55.93 1mio s SER 235 Cb 0.16 -0.19 0.76 0.00 0.10 0.00 0.00 66.02 66.85 1mio s SER 235 CO -0.05 -0.14 1.79 0.44 0.98 0.00 0.00 173.24 176.26 1mio h ASP 236 N 2.43 0.00 -4.54 7.02 3.32 -0.63 -3.46 116.42 120.56 1mio h ASP 236 Ca -0.39 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.73 1mio h ASP 236 Cb 1.23 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.60 1mio h ASP 236 CO 0.62 0.36 0.45 -0.22 -1.72 0.00 0.00 179.24 178.73 1mio s LEU 237 N -7.42 -0.43 -0.17 1.55 2.96 -1.24 -4.59 118.68 109.35 1mio s LEU 237 Ca -0.01 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1mio s LEU 237 Cb 0.12 2.09 0.02 0.00 0.50 0.00 0.00 46.19 48.92 1mio s LEU 237 CO 0.69 -0.55 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.11 1mio s THR 238 N -2.18 1.85 -0.12 3.68 2.01 0.03 -0.96 115.64 119.96 1mio s THR 238 Ca -0.00 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 1mio s THR 238 Cb -0.01 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1mio s THR 238 CO -0.03 0.50 0.16 -0.76 -0.69 0.00 0.00 174.62 173.80 1mio s LEU 239 N 1.37 4.38 -0.25 4.42 1.43 -0.24 -0.21 118.68 129.59 1mio s LEU 239 Ca 0.05 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 1mio s LEU 239 Cb -0.13 -2.10 0.06 0.00 0.03 0.00 0.00 46.19 44.05 1mio s LEU 239 CO -0.12 0.39 -0.04 -0.94 0.23 0.00 0.00 176.35 175.87 1mio s SER 240 N -0.94 3.97 -1.00 2.29 1.04 0.12 -1.37 113.70 117.81 1mio s SER 240 Ca 0.15 -1.28 -0.23 0.00 0.48 0.00 0.00 55.95 55.07 1mio s SER 240 Cb -0.12 -1.23 0.02 0.00 0.10 0.00 0.00 66.02 64.79 1mio s SER 240 CO 0.04 -0.25 1.62 -0.76 0.98 0.00 0.00 173.24 174.87 1mio s LEU 241 N 1.35 3.41 0.00 2.42 1.43 -0.18 -2.96 118.68 124.14 1mio s LEU 241 Ca -0.04 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 1mio s LEU 241 Cb -0.19 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1mio s LEU 241 CO -0.07 -1.90 0.00 0.61 0.23 0.00 0.00 176.35 175.22 1mio n GLY 242 N 6.80 1.35 0.17 -3.19 0.00 -0.52 -3.75 105.19 106.04 1mio n GLY 242 Ca 0.36 -1.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 1mio n GLY 242 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1mio h SER 243 N 0.00 -0.67 -0.88 1.61 0.87 -1.83 0.54 113.55 113.18 1mio h SER 243 Ca 0.00 0.09 0.14 0.00 -1.23 0.00 0.00 61.79 60.79 1mio h SER 243 Cb 0.00 0.27 -0.07 0.00 -0.44 0.00 0.00 62.40 62.17 1mio h SER 243 CO 0.00 -0.15 0.57 1.88 -0.53 0.00 0.00 176.83 178.60 1mio h TYR 244 N -0.16 0.80 0.08 2.24 -1.99 -1.97 -0.54 116.97 115.43 1mio h TYR 244 Ca 0.02 0.02 -0.33 0.00 2.00 0.00 0.00 58.73 60.45 1mio h TYR 244 Cb 0.22 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.68 1mio h TYR 244 CO -0.62 0.30 -1.78 0.00 -0.00 0.00 0.00 178.16 176.05 1mio n ALA 245 N -2.44 0.87 -0.06 3.88 0.00 -1.19 -4.61 120.51 116.96 1mio n ALA 245 Ca 0.17 -0.57 -0.04 0.00 0.00 0.00 0.00 53.44 53.00 1mio n ALA 245 Cb 0.46 -0.62 -0.15 0.00 0.00 0.00 0.00 19.45 19.14 1mio n ALA 245 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mio n SER 246 N -3.80 0.17 -0.31 0.00 7.64 0.17 -3.94 113.62 113.55 1mio n SER 246 Ca -0.33 0.08 -0.02 0.00 1.01 0.00 0.00 58.87 59.61 1mio n SER 246 Cb 0.93 1.05 0.13 0.00 -1.01 0.00 0.00 64.21 65.32 1mio n SER 246 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1mio h ASP 247 N 0.00 1.07 -0.03 6.43 5.19 -1.21 -3.19 116.42 124.68 1mio h ASP 247 Ca -0.36 -0.07 0.03 0.00 -0.62 0.00 0.00 57.03 56.02 1mio h ASP 247 Cb 1.86 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 41.06 1mio h ASP 247 CO 0.03 0.82 -0.21 0.25 -3.12 0.00 0.00 179.24 177.01 1mio h LEU 248 N 1.22 -0.63 -1.28 1.55 7.12 -1.80 0.37 115.31 121.86 1mio h LEU 248 Ca 0.32 0.09 -0.04 0.00 0.13 0.00 0.00 57.88 58.38 1mio h LEU 248 Cb -0.04 0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.33 1mio h LEU 248 CO -0.06 -0.28 0.06 1.23 -0.13 0.00 0.00 178.44 179.26 1mio h GLY 249 N -0.33 0.59 1.06 3.75 0.00 -1.77 -2.44 103.07 103.93 1mio h GLY 249 Ca 0.07 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1mio h GLY 249 CO -0.21 0.30 0.06 0.00 0.00 0.00 0.00 176.54 176.69 1mio h ALA 250 N 1.54 0.82 -0.05 3.60 0.00 -1.21 0.36 119.26 124.32 1mio h ALA 250 Ca 0.12 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1mio h ALA 250 Cb 0.26 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1mio h ALA 250 CO 0.00 0.61 -0.67 0.87 0.00 0.00 0.00 179.25 180.07 1mio h LYS 251 N 0.95 0.55 -0.10 0.00 1.57 -0.87 -2.38 116.57 116.29 1mio h LYS 251 Ca 0.18 -0.52 -0.07 0.00 -1.87 0.00 0.00 60.65 58.38 1mio h LYS 251 Cb 0.48 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1mio h LYS 251 CO 0.02 1.15 -0.24 1.15 -0.57 0.00 0.00 179.45 180.95 1mio h THR 252 N 0.14 1.22 0.33 -0.16 2.02 -1.24 0.14 112.91 115.37 1mio h THR 252 Ca -0.07 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.07 1mio h THR 252 Cb 1.34 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1mio h THR 252 CO 0.13 0.31 -0.16 0.25 0.37 0.00 0.00 175.52 176.42 1mio h LEU 253 N 0.16 -0.38 -1.61 2.58 5.85 -0.97 -1.42 115.31 119.53 1mio h LEU 253 Ca 0.03 -0.17 0.44 0.00 0.84 0.00 0.00 57.88 59.02 1mio h LEU 253 Cb 0.52 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.55 1mio h LEU 253 CO 0.04 0.06 0.97 -0.08 -0.34 0.00 0.00 178.44 179.09 1mio h GLU 254 N -0.92 0.08 0.00 1.25 4.57 -1.09 -1.40 114.58 117.08 1mio h GLU 254 Ca -0.05 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1mio h GLU 254 Cb 0.52 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1mio h GLU 254 CO 0.07 0.05 -0.00 0.87 -1.18 0.00 0.00 179.01 178.82 1mio h LYS 255 N 0.08 -0.01 -0.46 1.92 1.79 -0.64 -3.20 116.57 116.06 1mio h LYS 255 Ca 0.80 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 59.23 1mio h LYS 255 Cb 2.72 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 33.36 1mio h LYS 255 CO -0.26 0.85 0.14 1.57 -1.08 0.00 0.00 179.45 180.67 1mio h LYS 256 N -0.97 0.72 -4.96 3.15 2.10 -0.24 -3.38 116.57 112.99 1mio h LYS 256 Ca -0.00 -0.16 -0.67 0.00 -2.00 0.00 0.00 60.65 57.82 1mio h LYS 256 Cb 0.86 -0.10 -0.32 0.00 -0.90 0.00 0.00 32.23 31.77 1mio h LYS 256 CO 0.00 0.69 -0.78 0.00 -2.00 0.00 0.00 179.45 177.37 1mio s LYS 258 N 1.33 2.95 -0.14 0.00 2.20 -1.21 -3.80 119.74 121.08 1mio s LYS 258 Ca 0.02 0.05 0.01 0.00 -0.36 0.00 0.00 55.97 55.69 1mio s LYS 258 Cb -0.15 -4.38 -0.01 0.00 -1.51 0.00 0.00 37.83 31.78 1mio s LYS 258 CO -0.07 -2.46 -0.16 0.08 -0.36 0.00 0.00 175.35 172.39 1mio s VAL 259 N 7.30 2.71 1.00 4.02 1.01 -1.24 -5.02 120.40 130.19 1mio s VAL 259 Ca 0.51 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 1mio s VAL 259 Cb -0.09 -2.13 0.20 0.00 0.00 0.00 0.00 36.38 34.35 1mio s VAL 259 CO 0.15 0.52 1.10 -2.16 0.00 0.00 0.00 175.10 174.71 1mio s PRO 260 N 0.57 0.32 0.01 2.72 0.04 -1.26 -3.74 135.00 133.67 1mio s PRO 260 Ca -0.10 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.05 1mio s PRO 260 Cb -0.16 -1.67 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1mio s PRO 260 CO 0.04 -3.00 0.25 -0.59 0.04 0.00 0.00 177.00 173.73 1mio s PHE 261 N -2.60 -0.07 -0.05 0.56 -0.71 -1.26 -0.79 117.98 113.07 1mio s PHE 261 Ca 0.67 0.01 0.00 0.00 -1.04 0.00 0.00 56.93 56.58 1mio s PHE 261 Cb -0.23 0.04 0.02 0.00 -1.21 0.00 0.00 43.02 41.64 1mio s PHE 261 CO 0.60 -0.40 -0.03 0.21 -1.34 0.00 0.00 175.22 174.26 1mio s LYS 262 N -1.85 0.71 -0.31 1.99 2.47 0.71 -4.93 119.74 118.54 1mio s LYS 262 Ca -0.10 -0.04 -0.08 0.00 -1.56 0.00 0.00 55.97 54.19 1mio s LYS 262 Cb -0.04 -0.82 0.00 0.00 -1.46 0.00 0.00 37.83 35.51 1mio s LYS 262 CO 0.01 -0.14 0.12 -0.08 0.16 0.00 0.00 175.35 175.41 1mio s THR 263 N 1.16 4.25 0.13 3.43 -1.32 -1.26 0.13 115.64 122.16 1mio s THR 263 Ca -0.07 -0.59 0.07 0.00 -1.21 0.00 0.00 61.69 59.88 1mio s THR 263 Cb -0.14 -3.19 -0.04 0.00 -1.51 0.00 0.00 72.50 67.62 1mio s THR 263 CO -0.01 0.06 -0.15 -1.48 -2.21 0.00 0.00 174.62 170.82 1mio s LEU 264 N 1.55 2.41 0.92 9.08 0.05 -1.16 -5.00 118.68 126.53 1mio s LEU 264 Ca 0.03 -0.82 -0.12 0.00 0.05 0.00 0.00 54.13 53.28 1mio s LEU 264 Cb -0.17 -0.63 0.14 0.00 -2.05 0.00 0.00 46.19 43.48 1mio s LEU 264 CO 0.04 -0.11 1.12 -0.13 -0.55 0.00 0.00 176.35 176.72 1mio s ARG 265 N -2.66 1.10 0.02 1.48 0.52 -1.26 -1.45 118.95 116.69 1mio s ARG 265 Ca 0.10 0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 55.44 1mio s ARG 265 Cb -0.05 -1.82 -0.06 0.00 0.52 0.00 0.00 34.95 33.53 1mio s ARG 265 CO 0.04 -2.26 1.47 0.99 0.02 0.00 0.00 175.30 175.57 1mio s THR 266 N -3.16 3.53 -1.04 0.02 2.01 -1.26 -4.42 115.64 111.32 1mio s THR 266 Ca 0.64 0.93 -0.24 0.00 0.31 0.00 0.00 61.69 63.32 1mio s THR 266 Cb -0.16 -3.60 -0.15 0.00 0.01 0.00 0.00 72.50 68.61 1mio s THR 266 CO 0.55 -0.00 1.95 -0.81 -0.69 0.00 0.00 174.62 175.61 1mio n PRO 267 N 5.48 1.19 -3.98 4.92 -0.04 -1.26 -4.79 135.00 136.52 1mio n PRO 267 Ca 0.14 -2.14 -0.34 0.00 -0.04 0.00 0.00 63.50 61.11 1mio n PRO 267 Cb 0.43 -3.59 -0.15 0.00 -0.04 0.00 0.00 33.50 30.15 1mio n PRO 267 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1mio s ILE 268 N 11.26 2.86 0.00 0.52 1.01 -1.26 -0.72 121.20 134.88 1mio s ILE 268 Ca 0.70 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1mio s ILE 268 Cb 0.02 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.16 1mio s ILE 268 CO 0.16 0.39 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1mio n GLY 269 N 4.71 -1.74 0.29 6.18 0.00 -1.25 -4.34 105.19 109.04 1mio n GLY 269 Ca -0.18 -1.35 -0.15 0.00 0.00 0.00 0.00 46.02 44.34 1mio n GLY 269 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1mio h VAL 270 N 0.00 0.45 0.62 1.61 2.07 -1.96 -2.99 116.25 116.07 1mio h VAL 270 Ca 0.00 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1mio h VAL 270 Cb 0.00 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1mio h VAL 270 CO 0.00 0.05 -0.30 0.28 0.02 0.00 0.00 177.57 177.62 1mio h SER 271 N -0.87 -0.71 -0.49 0.57 0.02 -1.98 0.31 113.55 110.40 1mio h SER 271 Ca -0.07 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1mio h SER 271 Cb 0.59 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.29 1mio h SER 271 CO 0.11 -0.48 0.18 0.00 -1.14 0.00 0.00 176.83 175.51 1mio h ALA 272 N -0.53 1.30 0.04 3.77 0.00 -1.76 -0.26 119.26 121.83 1mio h ALA 272 Ca -0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1mio h ALA 272 Cb 0.66 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1mio h ALA 272 CO 0.14 0.51 -0.02 1.15 0.00 0.00 0.00 179.25 181.03 1mio h THR 273 N 0.79 1.32 -0.83 0.00 2.02 -1.48 -1.84 112.91 112.89 1mio h THR 273 Ca 0.18 -1.69 0.21 0.00 0.77 0.00 0.00 66.41 65.88 1mio h THR 273 Cb 0.21 2.36 -0.13 0.00 -1.74 0.00 0.00 68.15 68.85 1mio h THR 273 CO -0.01 0.40 0.19 0.44 0.37 0.00 0.00 175.52 176.91 1mio h ASP 274 N -0.87 -0.03 -0.38 4.18 3.32 -0.81 -0.56 116.42 121.27 1mio h ASP 274 Ca -0.01 0.18 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 1mio h ASP 274 Cb 0.69 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1mio h ASP 274 CO 0.01 -0.12 -0.10 -0.33 -1.72 0.00 0.00 179.24 176.97 1mio h GLU 275 N 0.22 0.74 0.43 3.56 5.08 -1.11 0.33 114.58 123.83 1mio h GLU 275 Ca 0.50 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1mio h GLU 275 Cb 0.95 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1mio h GLU 275 CO -0.62 0.89 -0.43 0.35 -1.00 0.00 0.00 179.01 178.20 1mio h PHE 276 N 0.54 -1.18 -0.58 4.33 3.57 -0.27 0.11 116.94 123.47 1mio h PHE 276 Ca 0.10 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.72 1mio h PHE 276 Cb 0.62 0.46 -0.11 0.00 2.79 0.00 0.00 35.95 39.71 1mio h PHE 276 CO 0.05 -0.59 -0.17 0.82 -2.23 0.00 0.00 178.31 176.19 1mio h ILE 277 N -0.87 0.38 -0.92 1.41 1.08 -1.02 -0.35 117.51 117.21 1mio h ILE 277 Ca -0.04 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.44 1mio h ILE 277 Cb 0.77 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 1mio h ILE 277 CO -0.07 0.00 0.61 0.24 -0.69 0.00 0.00 178.15 178.25 1mio h MET 278 N -0.03 1.20 -0.30 2.37 2.86 -0.05 -1.28 114.93 119.70 1mio h MET 278 Ca 0.27 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1mio h MET 278 Cb 0.45 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1mio h MET 278 CO -0.61 0.80 0.12 0.00 1.06 0.00 0.00 176.91 178.28 1mio h ALA 279 N 1.43 0.39 -0.84 6.32 0.00 0.91 0.13 119.26 127.60 1mio h ALA 279 Ca 0.34 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1mio h ALA 279 Cb -0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1mio h ALA 279 CO -0.08 -0.02 0.40 -0.07 0.00 0.00 0.00 179.25 179.49 1mio h LEU 280 N 0.33 1.10 0.76 0.00 4.07 -0.81 -1.92 115.31 118.85 1mio h LEU 280 Ca 0.10 -0.13 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 1mio h LEU 280 Cb 0.18 -0.28 0.01 0.00 1.08 0.00 0.00 40.66 41.64 1mio h LEU 280 CO -0.01 0.93 -0.37 0.28 -1.08 0.00 0.00 178.44 178.19 1mio h SER 281 N 1.20 -0.87 -0.63 -0.43 0.02 -0.91 -1.86 113.55 110.07 1mio h SER 281 Ca 0.29 0.03 0.12 0.00 -0.84 0.00 0.00 61.79 61.39 1mio h SER 281 Cb 0.12 0.22 -0.12 0.00 0.14 0.00 0.00 62.40 62.76 1mio h SER 281 CO -0.04 -0.59 -0.28 -0.33 -1.14 0.00 0.00 176.83 174.46 1mio h GLU 282 N -1.09 -0.10 0.27 3.45 3.07 -0.72 0.32 114.58 119.78 1mio h GLU 282 Ca -0.10 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 1mio h GLU 282 Cb 0.78 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 1mio h GLU 282 CO 0.17 -0.07 -0.13 0.00 -1.40 0.00 0.00 179.01 177.58 1mio h ALA 283 N 1.24 -0.37 -0.00 3.43 0.00 -1.47 -3.32 119.26 118.77 1mio h ALA 283 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1mio h ALA 283 Cb 0.54 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1mio h ALA 283 CO -0.69 -0.59 -0.26 0.25 0.00 0.00 0.00 179.25 177.95 1mio n THR 284 N -5.15 0.00 0.00 0.00 -2.24 -0.70 -4.95 114.28 101.24 1mio n THR 284 Ca -0.10 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1mio n THR 284 Cb 0.23 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1mio n THR 284 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mio n GLY 285 N 1.40 2.93 3.87 3.38 0.00 0.11 -5.02 105.19 111.87 1mio n GLY 285 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1mio n GLY 285 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mio s LYS 286 N -0.33 3.78 0.11 1.61 -2.85 -1.21 -4.93 119.74 115.91 1mio s LYS 286 Ca 0.00 0.45 -0.07 0.00 -1.00 0.00 0.00 55.97 55.36 1mio s LYS 286 Cb 0.00 -2.41 -0.06 0.00 -2.06 0.00 0.00 37.83 33.31 1mio s LYS 286 CO 0.00 -0.01 0.38 -2.00 0.10 0.00 0.00 175.35 173.82 1mio s GLU 287 N -3.78 3.67 0.08 1.78 -6.30 -1.26 -4.37 118.70 108.52 1mio s GLU 287 Ca 0.51 0.02 -0.32 0.00 -2.50 0.00 0.00 54.97 52.68 1mio s GLU 287 Cb -0.10 -2.91 -0.11 0.00 0.00 0.00 0.00 34.13 31.01 1mio s GLU 287 CO 0.30 0.51 1.85 0.28 0.02 0.00 0.00 175.26 178.23 1mio n VAL 288 N 0.46 0.45 -2.22 3.70 0.31 -1.26 -5.01 118.33 114.76 1mio n VAL 288 Ca -0.05 -0.08 -0.33 0.00 -0.01 0.00 0.00 64.34 63.87 1mio n VAL 288 Cb 0.52 -2.09 -0.01 0.00 -0.91 0.00 0.00 33.84 31.35 1mio n VAL 288 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1mio s PRO 289 N 3.12 3.55 0.44 5.55 0.02 -1.26 -4.89 135.00 141.53 1mio s PRO 289 Ca 0.84 1.18 0.20 0.00 0.02 0.00 0.00 61.00 63.24 1mio s PRO 289 Cb -0.51 -2.07 1.16 0.00 0.02 0.00 0.00 34.50 33.10 1mio s PRO 289 CO 0.40 -0.62 1.87 0.00 -0.33 0.00 0.00 177.00 178.33 1mio h ALA 290 N 0.76 2.31 -0.94 -1.55 0.00 -1.97 -0.15 119.26 117.71 1mio h ALA 290 Ca -0.47 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.54 1mio h ALA 290 Cb 1.21 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1mio h ALA 290 CO 0.59 -0.58 0.61 0.66 0.00 0.00 0.00 179.25 180.52 1mio h SER 291 N 0.33 0.89 0.16 0.00 4.64 -1.98 -0.95 113.55 116.63 1mio h SER 291 Ca 0.45 0.02 -0.25 0.00 -0.47 0.00 0.00 61.79 61.54 1mio h SER 291 Cb 1.22 -0.16 0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1mio h SER 291 CO -0.14 0.52 -1.18 0.40 -0.87 0.00 0.00 176.83 175.57 1mio h ILE 292 N 0.98 1.29 -0.91 0.95 2.04 -1.44 -1.62 117.51 118.80 1mio h ILE 292 Ca 0.44 -2.53 0.20 0.00 1.00 0.00 0.00 64.86 63.97 1mio h ILE 292 Cb 0.37 3.00 -0.07 0.00 -0.74 0.00 0.00 36.82 39.38 1mio h ILE 292 CO -0.19 0.74 0.60 -0.33 0.00 0.00 0.00 178.15 178.96 1mio h GLU 293 N -0.23 0.41 0.18 2.37 4.39 -0.90 0.21 114.58 121.02 1mio h GLU 293 Ca -0.22 -0.02 -0.28 0.00 0.34 0.00 0.00 59.36 59.17 1mio h GLU 293 Cb 1.81 -0.09 0.02 0.00 -0.10 0.00 0.00 28.75 30.38 1mio h GLU 293 CO 0.15 0.27 -1.29 1.49 -1.16 0.00 0.00 179.01 178.47 1mio h GLU 294 N 0.43 0.38 -0.80 2.33 4.81 -1.23 0.43 114.58 120.93 1mio h GLU 294 Ca 0.48 -0.65 0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1mio h GLU 294 Cb 1.16 0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.74 1mio h GLU 294 CO -0.19 1.31 0.53 0.93 -0.73 0.00 0.00 179.01 180.87 1mio h GLU 295 N -0.12 1.03 -0.30 1.92 5.08 -0.69 -0.86 114.58 120.63 1mio h GLU 295 Ca -0.24 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 1mio h GLU 295 Cb 1.91 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 1mio h GLU 295 CO 0.18 0.68 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.75 1mio h ARG 296 N 1.06 0.56 -0.53 2.33 2.43 -0.62 -1.91 114.38 117.70 1mio h ARG 296 Ca 0.30 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1mio h ARG 296 Cb -0.08 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1mio h ARG 296 CO -0.07 0.72 0.18 0.78 -1.51 0.00 0.00 179.97 180.07 1mio h GLY 297 N 0.34 0.87 1.33 2.80 0.00 -0.33 -2.23 103.07 105.86 1mio h GLY 297 Ca 0.08 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1mio h GLY 297 CO 0.02 0.47 0.05 1.46 0.00 0.00 0.00 176.54 178.54 1mio h GLN 298 N 0.72 0.82 0.61 4.80 4.20 -1.18 0.36 115.11 125.45 1mio h GLN 298 Ca 0.17 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1mio h GLN 298 Cb 0.25 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 27.93 1mio h GLN 298 CO -0.01 0.80 -0.29 1.25 -0.67 0.00 0.00 178.83 179.90 1mio h LEU 299 N 0.78 -0.70 -0.59 1.46 5.85 -0.96 -1.19 115.31 119.97 1mio h LEU 299 Ca 0.16 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1mio h LEU 299 Cb 0.40 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 1mio h LEU 299 CO 0.01 -0.46 0.31 0.40 -0.34 0.00 0.00 178.44 178.36 1mio h ILE 300 N -0.88 0.96 -0.94 4.05 1.08 -1.28 0.23 117.51 120.73 1mio h ILE 300 Ca -0.08 -0.20 0.07 0.00 -0.39 0.00 0.00 64.86 64.25 1mio h ILE 300 Cb 0.65 0.32 -0.07 0.00 -3.07 0.00 0.00 36.82 34.66 1mio h ILE 300 CO 0.14 0.11 0.60 -0.78 -0.69 0.00 0.00 178.15 177.52 1mio h ASP 301 N 0.58 0.95 -0.22 1.72 3.58 -0.93 -0.24 116.42 121.87 1mio h ASP 301 Ca 0.26 0.01 -0.20 0.00 0.42 0.00 0.00 57.03 57.52 1mio h ASP 301 Cb 0.16 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.03 1mio h ASP 301 CO -0.17 0.61 -0.66 0.25 -2.88 0.00 0.00 179.24 176.38 1mio h LEU 302 N 1.09 0.96 -1.27 2.28 5.85 0.26 -0.17 115.31 124.30 1mio h LEU 302 Ca 0.41 -0.58 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 1mio h LEU 302 Cb 0.18 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1mio h LEU 302 CO -0.18 1.38 -0.29 0.24 -0.34 0.00 0.00 178.44 179.25 1mio h MET 303 N 0.59 0.12 -0.01 1.25 0.00 -0.84 -2.07 114.93 113.96 1mio h MET 303 Ca -0.02 -0.04 -0.21 0.00 0.00 0.00 0.00 59.70 59.42 1mio h MET 303 Cb 1.28 -0.01 0.02 0.00 0.00 0.00 0.00 31.60 32.89 1mio h MET 303 CO 0.14 0.40 -0.83 0.82 0.00 0.00 0.00 176.91 177.44 1mio h ILE 304 N 0.11 1.34 -0.43 -1.22 2.04 -0.85 -2.70 117.51 115.79 1mio h ILE 304 Ca 0.02 -2.14 -0.09 0.00 1.00 0.00 0.00 64.86 63.64 1mio h ILE 304 Cb 0.58 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 1mio h ILE 304 CO 0.04 0.65 -0.10 0.44 0.00 0.00 0.00 178.15 179.18 1mio h ASP 305 N 0.19 0.83 0.16 1.72 3.32 -0.94 -3.08 116.42 118.62 1mio h ASP 305 Ca -0.10 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1mio h ASP 305 Cb 1.51 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1mio h ASP 305 CO 0.16 1.00 -0.01 0.00 -1.72 0.00 0.00 179.24 178.68 1mio n ALA 306 N -2.46 2.64 -0.25 3.45 0.00 -0.79 -4.38 120.51 118.73 1mio n ALA 306 Ca -0.01 -0.20 0.29 0.00 0.00 0.00 0.00 53.44 53.52 1mio n ALA 306 Cb 0.37 -1.49 0.68 0.00 0.00 0.00 0.00 19.45 19.02 1mio n ALA 306 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1mio h GLN 307 N 0.14 0.09 -0.95 0.00 -0.00 -1.39 -1.50 115.11 111.50 1mio h GLN 307 Ca 0.00 -0.01 0.13 0.00 -0.00 0.00 0.00 58.65 58.77 1mio h GLN 307 Cb 0.11 -0.02 -0.08 0.00 -0.00 0.00 0.00 27.48 27.49 1mio h GLN 307 CO 0.00 0.06 0.61 0.37 -0.00 0.00 0.00 178.83 179.87 1mio h GLN 308 N 0.10 0.84 0.07 0.06 4.15 -1.83 -3.10 115.11 115.40 1mio h GLN 308 Ca 0.49 -0.05 -0.25 0.00 0.77 0.00 0.00 58.65 59.61 1mio h GLN 308 Cb 1.79 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 29.27 1mio h GLN 308 CO -0.06 0.56 -1.34 1.88 -1.93 0.00 0.00 178.83 177.94 1mio h TYR 309 N 0.87 0.27 -0.61 3.99 0.05 -1.63 -3.38 116.97 116.52 1mio h TYR 309 Ca 0.48 -0.20 0.12 0.00 0.05 0.00 0.00 58.73 59.18 1mio h TYR 309 Cb 0.58 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.27 1mio h TYR 309 CO -0.00 1.52 0.42 -0.07 -1.05 0.00 0.00 178.16 178.98 1mio h LEU 310 N -0.53 0.30 -9.16 3.88 4.07 -1.46 -3.44 115.31 108.96 1mio h LEU 310 Ca -0.31 0.01 -0.57 0.00 0.08 0.00 0.00 57.88 57.09 1mio h LEU 310 Cb 1.59 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 43.24 1mio h LEU 310 CO -0.03 0.17 0.87 -1.10 -1.08 0.00 0.00 178.44 177.27 1mio s GLN 311 N -5.32 4.25 -0.38 1.13 -1.52 -1.18 -3.15 119.66 113.50 1mio s GLN 311 Ca -0.07 1.64 0.00 0.00 -1.95 0.00 0.00 55.36 54.98 1mio s GLN 311 Cb 0.20 -3.73 0.00 0.00 -0.22 0.00 0.00 33.01 29.26 1mio s GLN 311 CO 0.75 -0.67 0.00 0.41 -0.25 0.00 0.00 175.29 175.53 1mio n GLY 312 N 3.56 0.36 3.68 3.09 0.00 -0.34 -4.96 105.19 110.58 1mio n GLY 312 Ca 0.13 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1mio n GLY 312 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mio s LYS 313 N -3.60 4.37 0.08 1.61 -0.14 -1.19 -4.78 119.74 116.09 1mio s LYS 313 Ca 0.00 1.29 -0.31 0.00 -1.36 0.00 0.00 55.97 55.59 1mio s LYS 313 Cb 0.00 -3.56 -0.06 0.00 -1.68 0.00 0.00 37.83 32.52 1mio s LYS 313 CO 0.00 -0.36 1.27 0.15 -0.76 0.00 0.00 175.35 175.65 1mio s LYS 314 N 2.21 4.39 -0.01 1.68 1.02 -1.26 -0.54 119.74 127.23 1mio s LYS 314 Ca 0.45 1.88 0.08 0.00 0.02 0.00 0.00 55.97 58.41 1mio s LYS 314 Cb -0.17 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1mio s LYS 314 CO 0.15 -0.33 -0.26 0.08 -0.92 0.00 0.00 175.35 174.07 1mio s VAL 315 N 1.10 2.03 -0.32 3.17 1.01 0.95 -0.18 120.40 128.17 1mio s VAL 315 Ca 0.61 -1.12 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1mio s VAL 315 Cb -0.32 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1mio s VAL 315 CO 0.29 0.55 0.17 0.00 0.00 0.00 0.00 175.10 176.12 1mio s ALA 316 N -0.62 3.34 -0.16 5.51 0.00 -0.51 -1.19 121.76 128.12 1mio s ALA 316 Ca 0.10 -1.37 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 1mio s ALA 316 Cb -0.10 -2.45 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 1mio s ALA 316 CO -0.01 -0.90 0.01 -0.51 0.00 0.00 0.00 175.76 174.35 1mio s LEU 317 N 1.64 3.51 -0.11 0.00 2.01 0.43 -1.57 118.68 124.60 1mio s LEU 317 Ca 0.05 -0.02 -0.04 0.00 0.01 0.00 0.00 54.13 54.14 1mio s LEU 317 Cb -0.17 -1.86 0.05 0.00 0.01 0.00 0.00 46.19 44.22 1mio s LEU 317 CO 0.07 0.19 0.15 -0.76 1.01 0.00 0.00 176.35 177.02 1mio s LEU 318 N 0.26 -0.02 0.00 1.79 1.02 -0.69 -2.33 118.68 118.71 1mio s LEU 318 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.28 1mio s LEU 318 Cb -0.13 0.21 0.00 0.00 0.02 0.00 0.00 46.19 46.28 1mio s LEU 318 CO 0.02 -0.27 0.00 0.61 0.02 0.00 0.00 176.35 176.73 1mio n GLY 319 N 5.32 1.22 3.85 -3.19 0.00 -1.22 -3.89 105.19 107.28 1mio n GLY 319 Ca -0.05 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 1mio n GLY 319 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mio s ASP 320 N 2.00 6.73 0.08 1.61 1.01 -1.26 -4.09 116.67 122.75 1mio s ASP 320 Ca 0.00 1.21 -0.36 0.00 0.71 0.00 0.00 52.55 54.12 1mio s ASP 320 Cb 0.00 -2.35 -0.17 0.00 1.01 0.00 0.00 42.92 41.41 1mio s ASP 320 CO 0.00 -0.20 1.57 -0.65 0.21 0.00 0.00 175.17 176.10 1mio h PRO 321 N 2.23 -1.01 -0.70 8.23 0.11 -1.94 0.73 132.00 139.66 1mio h PRO 321 Ca -0.48 0.07 0.11 0.00 0.11 0.00 0.00 66.00 65.81 1mio h PRO 321 Cb 1.17 0.23 -0.08 0.00 0.11 0.00 0.00 31.00 32.44 1mio h PRO 321 CO 0.66 -0.67 0.31 -0.44 -0.21 0.00 0.00 178.00 177.65 1mio h ASP 322 N -1.04 0.36 0.44 -2.05 3.32 -1.96 -0.53 116.42 114.95 1mio h ASP 322 Ca -0.07 0.08 -0.31 0.00 0.02 0.00 0.00 57.03 56.75 1mio h ASP 322 Cb 0.88 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 1mio h ASP 322 CO -0.00 0.19 -1.52 1.05 -1.72 0.00 0.00 179.24 177.25 1mio h GLU 323 N 0.52 0.28 0.00 3.56 4.11 -1.92 -3.13 114.58 117.99 1mio h GLU 323 Ca 0.36 -0.47 -0.06 0.00 0.07 0.00 0.00 59.36 59.26 1mio h GLU 323 Cb 0.43 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1mio h GLU 323 CO -0.31 1.16 -0.27 0.82 0.07 0.00 0.00 179.01 180.48 1mio h ILE 324 N 0.08 0.96 0.39 -1.06 5.03 -0.50 0.24 117.51 122.65 1mio h ILE 324 Ca -0.24 -0.99 -0.01 0.00 -0.12 0.00 0.00 64.86 63.50 1mio h ILE 324 Cb 2.03 1.57 -0.01 0.00 -3.03 0.00 0.00 36.82 37.38 1mio h ILE 324 CO 0.17 0.26 -0.26 0.40 -0.68 0.00 0.00 178.15 178.04 1mio h ILE 325 N 0.00 0.46 -0.43 -0.67 2.04 -1.19 0.41 117.51 118.13 1mio h ILE 325 Ca -0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 1mio h ILE 325 Cb 0.55 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1mio h ILE 325 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.19 1mio h ALA 326 N -0.07 1.21 -0.05 1.87 0.00 -1.30 -3.16 119.26 117.75 1mio h ALA 326 Ca -0.04 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 1mio h ALA 326 Cb 0.53 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1mio h ALA 326 CO 0.02 0.52 -0.67 1.25 0.00 0.00 0.00 179.25 180.38 1mio h LEU 327 N 0.65 0.68 -1.36 0.00 6.46 -0.30 -2.75 115.31 118.69 1mio h LEU 327 Ca 0.13 -0.70 -0.01 0.00 -0.12 0.00 0.00 57.88 57.18 1mio h LEU 327 Cb 0.40 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1mio h LEU 327 CO 0.01 1.28 0.26 0.28 -0.62 0.00 0.00 178.44 179.66 1mio h SER 328 N 0.14 0.62 -0.45 1.25 0.02 -0.92 -0.32 113.55 113.89 1mio h SER 328 Ca -0.07 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1mio h SER 328 Cb 1.34 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 1mio h SER 328 CO 0.13 0.52 0.22 0.50 -1.14 0.00 0.00 176.83 177.06 1mio h LYS 329 N 0.71 0.65 0.00 3.45 1.63 -1.53 -0.65 116.57 120.83 1mio h LYS 329 Ca 0.18 -0.10 -0.08 0.00 -0.85 0.00 0.00 60.65 59.80 1mio h LYS 329 Cb 0.04 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 1mio h LYS 329 CO -0.03 0.56 -0.40 0.35 -3.45 0.00 0.00 179.45 176.48 1mio h PHE 330 N 0.59 0.00 0.00 1.91 3.57 -0.79 0.13 116.94 122.35 1mio h PHE 330 Ca 0.16 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 1mio h PHE 330 Cb 0.12 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1mio h PHE 330 CO -0.01 0.40 -0.22 -0.84 -2.23 0.00 0.00 178.31 175.41 1mio h ILE 331 N 0.00 0.41 -0.21 1.41 -2.65 -1.08 -2.20 117.51 113.19 1mio h ILE 331 Ca -0.00 -1.44 -0.19 0.00 1.03 0.00 0.00 64.86 64.26 1mio h ILE 331 Cb 0.78 2.09 0.00 0.00 -2.05 0.00 0.00 36.82 37.64 1mio h ILE 331 CO 0.05 0.22 -0.62 0.40 0.03 0.00 0.00 178.15 178.23 1mio h ILE 332 N 0.00 1.30 -0.01 0.16 2.04 -0.13 -0.01 117.51 120.86 1mio h ILE 332 Ca -0.00 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 64.01 1mio h ILE 332 Cb 1.07 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1mio h ILE 332 CO 0.03 0.59 -0.02 -1.84 0.00 0.00 0.00 178.15 176.91 1mio n GLU 333 N -3.96 1.20 0.09 2.37 0.28 0.36 -3.12 120.64 117.86 1mio n GLU 333 Ca -0.05 -0.39 0.11 0.00 -0.16 0.00 0.00 57.16 56.67 1mio n GLU 333 Cb 0.66 -1.49 -0.01 0.00 1.43 0.00 0.00 31.44 32.03 1mio n GLU 333 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1mio n LEU 334 N -0.56 0.77 0.00 -1.84 4.77 -0.83 -4.94 117.00 114.37 1mio n LEU 334 Ca 0.21 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1mio n LEU 334 Cb 0.23 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1mio n LEU 334 CO 0.18 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1mio n GLY 335 N 1.20 0.71 3.91 -0.72 0.00 -1.06 -4.51 105.19 104.71 1mio n GLY 335 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1mio n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mio s ALA 336 N -2.00 3.27 -0.23 4.61 0.00 -0.04 -1.20 121.76 126.16 1mio s ALA 336 Ca 0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 51.96 51.24 1mio s ALA 336 Cb 0.00 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 1mio s ALA 336 CO 0.00 -0.76 0.21 0.42 0.00 0.00 0.00 175.76 175.64 1mio s ILE 337 N -3.00 5.32 -0.51 0.00 1.01 0.30 -3.97 121.20 120.36 1mio s ILE 337 Ca 0.53 0.30 -0.27 0.00 0.00 0.00 0.00 60.65 61.22 1mio s ILE 337 Cb -0.11 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1mio s ILE 337 CO 0.46 0.32 2.09 -2.16 0.00 0.00 0.00 174.94 175.65 1mio s PRO 338 N 1.12 2.52 -0.14 2.79 0.04 -1.26 -0.03 135.00 140.04 1mio s PRO 338 Ca 0.10 1.09 -0.25 0.00 0.04 0.00 0.00 61.00 61.99 1mio s PRO 338 Cb -0.14 -4.44 -0.25 0.00 0.04 0.00 0.00 34.50 29.70 1mio s PRO 338 CO 0.05 -2.82 0.63 0.87 0.04 0.00 0.00 177.00 175.78 1mio h LYS 339 N 16.56 0.08 -3.88 4.56 1.79 -1.49 -3.43 116.57 130.75 1mio h LYS 339 Ca -0.27 -0.13 -0.58 0.00 -2.18 0.00 0.00 60.65 57.49 1mio h LYS 339 Cb 1.21 0.05 -0.39 0.00 -1.58 0.00 0.00 32.23 31.51 1mio h LYS 339 CO 1.16 1.06 -0.76 0.71 -1.08 0.00 0.00 179.45 180.54 1mio s TYR 340 N -2.32 1.91 -0.24 -1.35 2.02 -0.92 -0.72 117.35 115.74 1mio s TYR 340 Ca -0.21 -1.63 0.02 0.00 -0.37 0.00 0.00 57.07 54.89 1mio s TYR 340 Cb 0.01 -1.61 0.05 0.00 -0.40 0.00 0.00 41.96 40.01 1mio s TYR 340 CO 0.70 -0.79 -0.12 0.08 -1.57 0.00 0.00 175.55 173.85 1mio s VAL 341 N 1.55 2.06 0.02 0.71 1.01 0.23 -0.42 120.40 125.55 1mio s VAL 341 Ca 0.03 -1.42 0.08 0.00 0.00 0.00 0.00 61.98 60.67 1mio s VAL 341 Cb -0.18 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1mio s VAL 341 CO -0.14 0.10 -0.25 -0.69 0.00 0.00 0.00 175.10 174.12 1mio s VAL 342 N 1.18 2.02 0.06 2.92 1.01 -0.98 -0.26 120.40 126.35 1mio s VAL 342 Ca -0.05 -1.25 0.05 0.00 0.00 0.00 0.00 61.98 60.73 1mio s VAL 342 Cb -0.18 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1mio s VAL 342 CO -0.07 0.41 -0.15 0.28 0.00 0.00 0.00 175.10 175.58 1mio s THR 343 N -0.73 1.16 -0.31 3.92 -1.32 -0.63 -3.46 115.64 114.27 1mio s THR 343 Ca 0.10 -1.19 0.23 0.00 -1.21 0.00 0.00 61.69 59.63 1mio s THR 343 Cb -0.10 -1.08 0.07 0.00 -1.51 0.00 0.00 72.50 69.88 1mio s THR 343 CO 0.01 -0.11 1.18 1.23 -2.21 0.00 0.00 174.62 174.72 1mio h GLY 344 N 4.56 0.00 -5.79 6.08 0.00 -1.59 0.26 103.07 106.59 1mio h GLY 344 Ca -0.40 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.34 1mio h GLY 344 CO 0.42 0.00 0.10 -1.08 0.00 0.00 0.00 176.54 175.98 1mio s THR 345 N -3.32 5.03 0.47 4.70 -1.32 -1.26 -4.04 115.64 115.91 1mio s THR 345 Ca 0.02 1.22 -0.19 0.00 -1.21 0.00 0.00 61.69 61.52 1mio s THR 345 Cb 0.09 -3.95 -0.15 0.00 -1.51 0.00 0.00 72.50 66.98 1mio s THR 345 CO 0.76 0.15 -0.02 -0.81 -2.21 0.00 0.00 174.62 172.49 1mio n PRO 346 N 4.75 0.03 0.00 7.08 -0.04 -1.26 -4.31 135.00 141.25 1mio n PRO 346 Ca -0.02 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1mio n PRO 346 Cb 0.50 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 1mio n PRO 346 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mio n GLY 347 N 2.41 4.17 0.25 0.55 0.00 -1.26 -5.01 105.19 106.29 1mio n GLY 347 Ca 0.09 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 1mio n GLY 347 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1mio h MET 348 N 0.00 0.85 -0.58 1.61 4.05 -2.01 -3.33 114.93 115.51 1mio h MET 348 Ca 0.00 -0.40 0.07 0.00 -0.28 0.00 0.00 59.70 59.08 1mio h MET 348 Cb 0.00 -0.01 -0.10 0.00 -0.80 0.00 0.00 31.60 30.70 1mio h MET 348 CO 0.00 1.04 -0.54 -0.22 0.23 0.00 0.00 176.91 177.43 1mio h LYS 349 N 0.65 -0.26 -0.71 0.39 3.64 -1.98 0.54 116.57 118.84 1mio h LYS 349 Ca 0.07 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.63 1mio h LYS 349 Cb 0.83 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.60 1mio h LYS 349 CO 0.07 -0.18 0.06 0.35 -2.27 0.00 0.00 179.45 177.49 1mio h PHE 350 N -0.27 0.06 0.22 1.91 3.04 -1.95 0.18 116.94 120.13 1mio h PHE 350 Ca 0.12 0.05 0.01 0.00 3.98 0.00 0.00 57.97 62.12 1mio h PHE 350 Cb 0.55 0.08 -0.04 0.00 2.56 0.00 0.00 35.95 39.10 1mio h PHE 350 CO -0.79 -0.17 -0.53 0.37 -2.02 0.00 0.00 178.31 175.17 1mio h GLN 351 N 0.16 -0.80 -0.06 1.11 5.75 -1.12 -3.11 115.11 117.05 1mio h GLN 351 Ca 0.39 0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.96 1mio h GLN 351 Cb 0.67 0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.38 1mio h GLN 351 CO -0.57 -0.53 -0.06 -0.22 -2.65 0.00 0.00 178.83 174.80 1mio h LYS 352 N -0.83 -0.07 -0.12 1.69 3.64 0.64 -2.56 116.57 118.95 1mio h LYS 352 Ca -0.02 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1mio h LYS 352 Cb 0.80 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1mio h LYS 352 CO -0.23 -0.05 0.02 0.93 -2.27 0.00 0.00 179.45 177.85 1mio h GLU 353 N -0.08 0.20 -0.00 1.90 5.08 -0.80 -2.42 114.58 118.47 1mio h GLU 353 Ca 0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1mio h GLU 353 Cb 0.14 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1mio h GLU 353 CO -0.11 0.40 -0.16 0.44 -1.00 0.00 0.00 179.01 178.57 1mio n ILE 354 N -4.83 0.00 0.09 3.13 -6.64 -1.17 -2.47 119.36 107.47 1mio n ILE 354 Ca -0.06 -0.00 -0.12 0.00 -1.77 0.00 0.00 62.75 60.80 1mio n ILE 354 Cb 0.17 -0.24 -0.08 0.00 -1.44 0.00 0.00 39.64 38.06 1mio n ILE 354 CO 0.00 0.00 0.00 -0.78 -1.77 0.00 0.00 176.55 174.00 1mio h ASP 355 N 0.04 -0.24 -0.59 7.28 3.58 -1.26 -3.18 116.42 122.05 1mio h ASP 355 Ca 0.00 -0.29 0.10 0.00 0.42 0.00 0.00 57.03 57.26 1mio h ASP 355 Cb 0.49 0.06 -0.08 0.00 1.72 0.00 0.00 39.33 41.52 1mio h ASP 355 CO 0.00 0.25 0.18 0.00 -2.88 0.00 0.00 179.24 176.79 1mio h ALA 356 N -0.26 0.73 -0.87 -0.78 0.00 -1.42 -2.25 119.26 114.41 1mio h ALA 356 Ca -0.03 0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.23 1mio h ALA 356 Cb 0.51 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1mio h ALA 356 CO 0.05 -0.25 0.62 1.98 0.00 0.00 0.00 179.25 181.65 1mio h MET 357 N 0.34 0.05 0.00 0.00 1.85 -1.56 -0.69 114.93 114.92 1mio h MET 357 Ca 0.30 -0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.38 1mio h MET 357 Cb 0.40 -0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.42 1mio h MET 357 CO -0.34 0.03 -1.66 1.28 -0.40 0.00 0.00 176.91 175.83 1mio n LEU 358 N -4.31 0.30 0.13 3.39 4.32 -0.87 -4.17 117.00 115.80 1mio n LEU 358 Ca 0.18 0.12 -0.06 0.00 -0.02 0.00 0.00 56.01 56.23 1mio n LEU 358 Cb 0.91 -0.01 -0.03 0.00 -1.62 0.00 0.00 43.42 42.66 1mio n LEU 358 CO 0.38 -0.06 0.20 0.00 -1.22 0.00 0.00 177.39 176.69 1mio h ALA 359 N 1.98 -0.49 -0.03 -1.18 0.00 -1.14 0.40 119.26 118.81 1mio h ALA 359 Ca -0.01 -0.09 -0.67 0.00 0.00 0.00 0.00 54.91 54.14 1mio h ALA 359 Cb 1.02 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1mio h ALA 359 CO 0.00 -0.46 2.61 -0.85 0.00 0.00 0.00 179.25 180.55 1mio n GLU 360 N -4.45 2.09 0.00 0.00 -0.00 -0.34 -1.04 120.64 116.90 1mio n GLU 360 Ca -0.05 -2.20 0.00 0.00 -0.00 0.00 0.00 57.16 54.91 1mio n GLU 360 Cb 0.16 -3.10 0.00 0.00 -0.00 0.00 0.00 31.44 28.50 1mio n GLU 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1mio n ALA 361 N 7.11 0.00 -1.71 -1.84 0.00 -1.24 -4.84 120.51 117.99 1mio n ALA 361 Ca 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.91 1mio n ALA 361 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 1mio n ALA 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mio n GLY 362 N 0.00 0.38 3.73 0.00 0.00 -0.20 -5.02 105.19 104.08 1mio n GLY 362 Ca 0.00 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 1mio n GLY 362 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mio s ILE 363 N -2.15 5.19 0.35 -0.61 1.01 0.02 -5.03 121.20 119.98 1mio s ILE 363 Ca 0.00 0.88 0.05 0.00 0.00 0.00 0.00 60.65 61.59 1mio s ILE 363 Cb 0.00 -3.78 -0.07 0.00 0.01 0.00 0.00 42.46 38.62 1mio s ILE 363 CO 0.00 0.35 0.02 -1.83 0.00 0.00 0.00 174.94 173.48 1mio s GLU 364 N 0.49 1.75 0.00 2.79 4.04 -1.26 -4.60 118.70 121.90 1mio s GLU 364 Ca 0.24 -1.97 0.00 0.00 0.04 0.00 0.00 54.97 53.29 1mio s GLU 364 Cb -0.15 -1.21 0.00 0.00 0.02 0.00 0.00 34.13 32.79 1mio s GLU 364 CO 0.09 -0.10 0.00 0.41 -1.84 0.00 0.00 175.26 173.83 1mio n GLY 365 N -0.78 0.64 3.75 -3.83 0.00 -1.26 -5.00 105.19 98.71 1mio n GLY 365 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1mio n GLY 365 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mio s SER 366 N -2.34 7.42 -0.37 1.61 0.01 -1.26 -4.97 113.70 113.80 1mio s SER 366 Ca 0.00 1.69 -0.05 0.00 1.31 0.00 0.00 55.95 58.90 1mio s SER 366 Cb 0.00 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.76 1mio s SER 366 CO 0.00 0.06 0.16 -0.54 0.41 0.00 0.00 173.24 173.32 1mio s LYS 367 N -0.48 2.40 -0.11 12.44 1.02 0.10 -5.02 119.74 130.09 1mio s LYS 367 Ca 0.41 -1.46 -0.04 0.00 0.02 0.00 0.00 55.97 54.90 1mio s LYS 367 Cb -0.23 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.51 1mio s LYS 367 CO 0.28 -0.86 0.05 0.54 -0.92 0.00 0.00 175.35 174.44 1mio s VAL 368 N 1.30 4.69 -0.17 3.17 0.11 -1.26 -0.60 120.40 127.64 1mio s VAL 368 Ca 0.02 -0.10 -0.06 0.00 -2.93 0.00 0.00 61.98 58.91 1mio s VAL 368 Cb -0.22 -3.02 0.08 0.00 -1.53 0.00 0.00 36.38 31.70 1mio s VAL 368 CO -0.00 0.58 0.34 -0.75 -3.33 0.00 0.00 175.10 171.94 1mio s LYS 369 N -0.69 0.24 -0.03 1.54 2.47 0.64 -4.94 119.74 118.97 1mio s LYS 369 Ca 0.12 0.86 -0.19 0.00 -1.56 0.00 0.00 55.97 55.20 1mio s LYS 369 Cb -0.12 0.09 -0.05 0.00 -1.46 0.00 0.00 37.83 36.29 1mio s LYS 369 CO 0.02 -0.29 0.52 0.08 0.16 0.00 0.00 175.35 175.84 1mio s VAL 370 N 2.51 5.00 -0.82 4.02 1.01 -1.26 -1.61 120.40 129.26 1mio s VAL 370 Ca 0.01 1.08 -0.03 0.00 0.00 0.00 0.00 61.98 63.04 1mio s VAL 370 Cb -0.12 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1mio s VAL 370 CO -0.11 0.43 0.71 1.21 0.00 0.00 0.00 175.10 177.34 1mio n GLU 371 N 2.79 -2.56 -1.46 2.72 2.13 0.81 -4.93 120.64 120.14 1mio n GLU 371 Ca -0.08 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.39 1mio n GLU 371 Cb 0.51 -4.85 0.00 0.00 0.27 0.00 0.00 31.44 27.38 1mio n GLU 371 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1mio n GLY 372 N -1.24 3.87 3.41 8.31 0.00 -0.61 -4.95 105.19 113.97 1mio n GLY 372 Ca -0.10 -2.16 -0.17 0.00 0.00 0.00 0.00 46.02 43.59 1mio n GLY 372 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1mio s ASP 373 N -0.80 1.32 0.30 1.61 1.47 -1.26 -3.74 116.67 115.57 1mio s ASP 373 Ca 0.00 -1.63 0.07 0.00 1.18 0.00 0.00 52.55 52.17 1mio s ASP 373 Cb 0.00 0.63 0.48 0.00 -0.34 0.00 0.00 42.92 43.70 1mio s ASP 373 CO 0.00 -1.23 1.71 -0.26 0.68 0.00 0.00 175.17 176.08 1mio h PHE 374 N 2.09 0.24 -1.01 2.11 0.04 -0.97 -3.06 116.94 116.39 1mio h PHE 374 Ca -0.27 -0.06 0.04 0.00 2.80 0.00 0.00 57.97 60.48 1mio h PHE 374 Cb 1.24 -0.05 -0.06 0.00 2.20 0.00 0.00 35.95 39.27 1mio h PHE 374 CO 1.68 0.59 0.66 0.35 -0.60 0.00 0.00 178.31 180.99 1mio h PHE 375 N 0.17 1.24 0.89 -0.55 3.57 -1.72 -2.49 116.94 118.04 1mio h PHE 375 Ca 0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1mio h PHE 375 Cb 0.80 -0.41 0.01 0.00 2.79 0.00 0.00 35.95 39.14 1mio h PHE 375 CO 0.01 0.71 -0.43 -0.44 -2.23 0.00 0.00 178.31 175.94 1mio h ASP 376 N 1.28 -1.01 -0.99 0.41 3.32 -1.88 -1.08 116.42 116.47 1mio h ASP 376 Ca 0.40 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.49 1mio h ASP 376 Cb -0.00 0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 1mio h ASP 376 CO -0.12 -0.71 0.65 0.58 -1.72 0.00 0.00 179.24 177.92 1mio h VAL 377 N -1.22 1.24 -0.63 -1.35 2.07 -1.50 -1.75 116.25 113.11 1mio h VAL 377 Ca -0.12 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 1mio h VAL 377 Cb 0.92 -0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1mio h VAL 377 CO 0.20 0.24 0.13 -0.74 0.02 0.00 0.00 177.57 177.43 1mio h HIS 378 N 1.32 1.04 -0.53 1.57 -0.00 -1.27 -1.74 115.15 115.54 1mio h HIS 378 Ca 0.37 -0.12 -0.04 0.00 -0.00 0.00 0.00 60.37 60.57 1mio h HIS 378 Cb -0.13 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 26.96 1mio h HIS 378 CO -0.00 0.87 0.17 1.96 -0.00 0.00 0.00 177.93 180.92 1mio h GLN 379 N 0.95 0.82 -0.18 5.26 4.20 -0.70 -1.00 115.11 124.46 1mio h GLN 379 Ca 0.20 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.75 1mio h GLN 379 Cb 0.36 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1mio h GLN 379 CO 0.00 0.75 0.05 -1.49 -0.67 0.00 0.00 178.83 177.48 1mio h TRP 380 N 0.73 0.10 -0.06 2.96 6.55 -0.89 -1.83 115.95 123.50 1mio h TRP 380 Ca 0.17 0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.02 1mio h TRP 380 Cb 0.27 -0.02 -0.00 0.00 -0.86 0.00 0.00 29.16 28.55 1mio h TRP 380 CO 0.02 0.05 0.04 0.82 -1.05 0.00 0.00 178.44 178.31 1mio h ILE 381 N 0.14 1.01 0.00 1.49 2.04 -1.16 0.76 117.51 121.79 1mio h ILE 381 Ca 0.08 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 1mio h ILE 381 Cb 0.05 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1mio h ILE 381 CO -0.08 0.01 -0.06 0.11 0.00 0.00 0.00 178.15 178.12 1mio h LYS 382 N 0.07 0.00 0.11 2.37 1.79 -0.29 -3.24 116.57 117.38 1mio h LYS 382 Ca 0.02 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.14 1mio h LYS 382 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1mio h LYS 382 CO -0.00 0.06 -1.96 0.09 -1.08 0.00 0.00 179.45 176.56 1mio n ASN 383 N -3.87 2.10 -3.59 0.86 3.02 0.22 -4.89 115.26 109.10 1mio n ASN 383 Ca -0.03 0.21 -0.01 0.00 -0.03 0.00 0.00 54.58 54.73 1mio n ASN 383 Cb 0.16 -0.85 -0.04 0.00 -0.61 0.00 0.00 39.78 38.43 1mio n ASN 383 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1mio s GLU 384 N -2.54 0.56 0.76 3.52 -1.05 -0.97 -5.14 118.70 113.84 1mio s GLU 384 Ca -0.24 1.38 -0.13 0.00 -0.15 0.00 0.00 54.97 55.84 1mio s GLU 384 Cb 0.07 0.80 0.06 0.00 -0.44 0.00 0.00 34.13 34.62 1mio s GLU 384 CO 0.75 -0.25 1.14 0.20 0.95 0.00 0.00 175.26 178.04 1mio s GLY 385 N 2.88 1.97 0.33 -3.83 0.00 -1.23 -4.23 107.32 103.21 1mio s GLY 385 Ca -0.03 0.56 0.10 0.00 0.00 0.00 0.00 44.72 45.35 1mio s GLY 385 CO -0.19 0.94 -0.04 0.54 0.00 0.00 0.00 173.10 174.35 1mio s VAL 386 N -2.48 2.61 -0.12 1.40 0.11 -1.26 -4.98 120.40 115.68 1mio s VAL 386 Ca 0.67 -2.07 0.22 0.00 -2.93 0.00 0.00 61.98 57.87 1mio s VAL 386 Cb -0.22 -2.70 -0.23 0.00 -1.53 0.00 0.00 36.38 31.70 1mio s VAL 386 CO 0.50 -0.24 0.67 0.47 -3.33 0.00 0.00 175.10 173.16 1mio n ASP 387 N -0.87 0.29 -3.66 3.54 8.00 0.75 -4.93 116.55 119.66 1mio n ASP 387 Ca -0.05 0.08 -0.15 0.00 0.71 0.00 0.00 54.79 55.38 1mio n ASP 387 Cb 0.62 1.49 -0.08 0.00 -0.02 0.00 0.00 41.12 43.13 1mio n ASP 387 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1mio s LEU 388 N -4.74 0.18 -0.07 0.64 2.96 -1.12 -4.08 118.68 112.45 1mio s LEU 388 Ca -0.05 0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 1mio s LEU 388 Cb 0.13 1.81 0.01 0.00 0.50 0.00 0.00 46.19 48.64 1mio s LEU 388 CO 0.87 -0.48 -0.14 -0.22 -1.32 0.00 0.00 176.35 175.06 1mio s LEU 389 N -1.12 1.70 -0.33 -0.68 0.20 0.50 -1.42 118.68 117.52 1mio s LEU 389 Ca -0.11 -0.33 -0.01 0.00 0.69 0.00 0.00 54.13 54.36 1mio s LEU 389 Cb -0.03 -0.90 0.11 0.00 -0.43 0.00 0.00 46.19 44.94 1mio s LEU 389 CO 0.06 0.05 0.15 -0.63 -0.29 0.00 0.00 176.35 175.69 1mio s ILE 390 N 0.64 0.47 0.21 6.68 1.01 -0.61 -0.79 121.20 128.80 1mio s ILE 390 Ca -0.15 -1.37 0.04 0.00 0.00 0.00 0.00 60.65 59.17 1mio s ILE 390 Cb -0.16 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 1mio s ILE 390 CO 0.04 -0.78 0.19 -1.54 0.00 0.00 0.00 174.94 172.85 1mio n SER 391 N 4.68 -0.48 -3.06 3.58 3.41 -1.15 -1.71 113.62 118.89 1mio n SER 391 Ca 0.01 -2.36 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 1mio n SER 391 Cb 0.40 1.10 0.00 0.00 -0.26 0.00 0.00 64.21 65.45 1mio n SER 391 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1mio n ASN 392 N -2.14 -0.19 0.12 4.04 0.23 -1.14 -0.26 115.26 115.91 1mio n ASN 392 Ca 0.04 -0.18 0.10 0.00 -0.53 0.00 0.00 54.58 54.02 1mio n ASN 392 Cb 0.38 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.68 1mio n ASN 392 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1mio h THR 393 N -0.63 0.95 0.00 5.53 2.02 -1.72 -3.16 112.91 115.90 1mio h THR 393 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1mio h THR 393 Cb 0.00 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1mio h THR 393 CO 0.00 0.03 0.00 -1.22 0.37 0.00 0.00 175.52 174.70 1mio n TYR 394 N -4.49 0.16 0.53 3.16 4.01 -1.26 -2.51 117.16 116.77 1mio n TYR 394 Ca 0.02 0.05 0.08 0.00 -0.16 0.00 0.00 57.90 57.89 1mio n TYR 394 Cb 0.23 -0.58 0.34 0.00 -0.31 0.00 0.00 39.34 39.02 1mio n TYR 394 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1mio n GLY 395 N 1.37 -1.05 0.23 2.72 0.00 -1.19 -2.75 105.19 104.51 1mio n GLY 395 Ca 0.07 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1mio n GLY 395 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1mio h LYS 396 N 0.00 0.00 -0.11 1.61 2.10 -1.70 -0.59 116.57 117.88 1mio h LYS 396 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 1mio h LYS 396 Cb 0.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1mio h LYS 396 CO 0.00 0.20 -0.56 0.74 -2.00 0.00 0.00 179.45 177.83 1mio h PHE 397 N 0.00 0.42 -0.09 0.07 -1.00 -1.75 -1.77 116.94 112.82 1mio h PHE 397 Ca -0.00 -0.15 -0.14 0.00 2.81 0.00 0.00 57.97 60.49 1mio h PHE 397 Cb 0.67 -0.08 0.01 0.00 3.61 0.00 0.00 35.95 40.16 1mio h PHE 397 CO 0.00 0.82 -0.48 0.82 -1.61 0.00 0.00 178.31 177.86 1mio h ILE 398 N 0.25 1.38 -0.04 -0.55 5.03 -1.37 -2.65 117.51 119.58 1mio h ILE 398 Ca 0.00 -1.84 0.02 0.00 -0.12 0.00 0.00 64.86 62.93 1mio h ILE 398 Cb 1.06 2.26 -0.06 0.00 -3.03 0.00 0.00 36.82 37.06 1mio h ILE 398 CO 0.09 0.55 -0.51 0.00 -0.68 0.00 0.00 178.15 177.59 1mio h ALA 399 N 0.45 -0.92 -0.15 1.87 0.00 -1.16 0.16 119.26 119.51 1mio h ALA 399 Ca -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1mio h ALA 399 Cb 1.13 0.95 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 1mio h ALA 399 CO 0.10 -1.08 0.05 -0.09 0.00 0.00 0.00 179.25 178.23 1mio h ARG 400 N -0.62 0.24 0.62 0.00 2.43 -1.39 0.30 114.38 115.96 1mio h ARG 400 Ca 0.02 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1mio h ARG 400 Cb 0.68 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1mio h ARG 400 CO -0.36 0.37 -0.46 1.49 -1.51 0.00 0.00 179.97 179.50 1mio h GLU 401 N 0.07 -1.00 -0.76 0.20 4.57 -1.45 -3.22 114.58 113.00 1mio h GLU 401 Ca 0.05 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1mio h GLU 401 Cb 0.23 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1mio h GLU 401 CO -0.00 -0.66 0.00 0.39 -1.18 0.00 0.00 179.01 177.55 1mio n GLU 402 N -5.28 2.89 -3.65 1.92 -0.58 0.54 -4.95 120.64 111.54 1mio n GLU 402 Ca -0.13 -1.57 -0.23 0.00 -0.42 0.00 0.00 57.16 54.81 1mio n GLU 402 Cb 0.45 -1.84 0.01 0.00 -0.57 0.00 0.00 31.44 29.48 1mio n GLU 402 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1mio n ASN 403 N 0.34 -2.70 -4.40 1.62 2.85 0.10 -4.96 115.26 108.11 1mio n ASN 403 Ca 0.14 -0.71 -0.33 0.00 -0.11 0.00 0.00 54.58 53.56 1mio n ASN 403 Cb 0.70 -0.97 -0.14 0.00 1.24 0.00 0.00 39.78 40.61 1mio n ASN 403 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1mio s ILE 404 N -3.39 3.30 0.29 -1.44 1.01 -1.03 -5.06 121.20 114.87 1mio s ILE 404 Ca 0.16 -0.57 -0.28 0.00 0.00 0.00 0.00 60.65 59.96 1mio s ILE 404 Cb -0.09 -2.41 -0.14 0.00 0.01 0.00 0.00 42.46 39.83 1mio s ILE 404 CO 0.58 0.51 0.92 -2.65 0.00 0.00 0.00 174.94 174.30 1mio n PRO 405 N 3.59 1.13 -3.76 2.79 -0.02 -1.26 -4.66 135.00 132.80 1mio n PRO 405 Ca -0.18 0.40 -0.14 0.00 -2.02 0.00 0.00 63.50 61.56 1mio n PRO 405 Cb 0.53 -1.72 -0.15 0.00 -0.02 0.00 0.00 33.50 32.14 1mio n PRO 405 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1mio s PHE 406 N -1.08 -0.08 -0.08 6.00 5.36 -1.26 -0.37 117.98 126.47 1mio s PHE 406 Ca 0.60 0.32 0.04 0.00 -0.96 0.00 0.00 56.93 56.93 1mio s PHE 406 Cb -0.72 -0.14 -0.00 0.00 -0.34 0.00 0.00 43.02 41.82 1mio s PHE 406 CO 0.59 -0.13 -0.23 0.14 -1.46 0.00 0.00 175.22 174.14 1mio s VAL 407 N 1.04 1.92 0.27 3.12 -7.23 0.03 -4.96 120.40 114.58 1mio s VAL 407 Ca -0.08 -0.96 -0.29 0.00 -1.81 0.00 0.00 61.98 58.84 1mio s VAL 407 Cb -0.11 -1.66 -0.09 0.00 0.56 0.00 0.00 36.38 35.08 1mio s VAL 407 CO -0.04 0.53 1.10 -0.13 -0.31 0.00 0.00 175.10 176.25 1mio s ARG 408 N 0.23 4.64 -0.29 4.82 0.52 -1.26 -2.93 118.95 124.68 1mio s ARG 408 Ca -0.14 1.80 -0.16 0.00 -0.52 0.00 0.00 55.73 56.71 1mio s ARG 408 Cb -0.16 -3.20 0.12 0.00 0.52 0.00 0.00 34.95 32.24 1mio s ARG 408 CO 0.07 0.20 0.88 0.12 0.02 0.00 0.00 175.30 176.59 1mio s PHE 409 N -1.08 -0.74 0.00 -0.53 5.36 0.64 -4.90 117.98 116.73 1mio s PHE 409 Ca 0.45 1.47 0.00 0.00 -0.96 0.00 0.00 56.93 57.89 1mio s PHE 409 Cb -0.32 0.44 0.00 0.00 -0.34 0.00 0.00 43.02 42.80 1mio s PHE 409 CO 0.41 -0.37 0.00 0.41 -1.46 0.00 0.00 175.22 174.21 1mio n GLY 410 N 3.92 -0.22 3.54 13.12 0.00 -1.26 -2.87 105.19 121.41 1mio n GLY 410 Ca -0.19 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.46 1mio n GLY 410 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mio s PHE 411 N 0.00 2.98 0.01 1.61 5.36 -1.26 -4.22 117.98 122.46 1mio s PHE 411 Ca 0.00 -0.15 0.07 0.00 -0.96 0.00 0.00 56.93 55.90 1mio s PHE 411 Cb 0.00 -1.83 -0.03 0.00 -0.34 0.00 0.00 43.02 40.82 1mio s PHE 411 CO 0.00 0.15 -0.23 -1.25 -1.46 0.00 0.00 175.22 172.43 1mio s PRO 412 N -0.23 2.08 -0.40 10.12 0.04 -1.26 -4.67 135.00 140.67 1mio s PRO 412 Ca 0.04 -0.95 -0.10 0.00 0.04 0.00 0.00 61.00 60.02 1mio s PRO 412 Cb -0.13 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.36 1mio s PRO 412 CO 0.02 0.55 0.24 0.42 0.04 0.00 0.00 177.00 178.28 1mio s ILE 413 N -0.75 4.36 -0.74 0.56 1.01 -1.26 -1.92 121.20 122.47 1mio s ILE 413 Ca 0.12 -1.20 0.07 0.00 0.00 0.00 0.00 60.65 59.64 1mio s ILE 413 Cb -0.10 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.82 1mio s ILE 413 CO 0.01 -0.40 0.62 0.23 0.00 0.00 0.00 174.94 175.40 1mio n MET 414 N 4.95 1.03 0.08 2.79 2.81 -1.26 -4.35 117.12 123.16 1mio n MET 414 Ca -0.11 -0.72 0.12 0.00 -1.81 0.00 0.00 57.70 55.18 1mio n MET 414 Cb 0.44 -1.06 0.10 0.00 -0.71 0.00 0.00 33.22 31.99 1mio n MET 414 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1mio h ASP 415 N 1.06 0.00 -3.81 7.83 5.19 -1.91 -3.46 116.42 121.32 1mio h ASP 415 Ca 0.00 -0.15 -0.40 0.00 -0.62 0.00 0.00 57.03 55.86 1mio h ASP 415 Cb 0.26 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.62 1mio h ASP 415 CO 0.00 0.08 -0.63 -0.13 -3.12 0.00 0.00 179.24 175.43 1mio s ARG 416 N -3.24 1.46 0.09 3.56 1.81 -1.26 -5.13 118.95 116.24 1mio s ARG 416 Ca 0.04 -1.78 0.05 0.00 -1.72 0.00 0.00 55.73 52.32 1mio s ARG 416 Cb 0.12 -0.62 -0.04 0.00 -0.45 0.00 0.00 34.95 33.96 1mio s ARG 416 CO 0.75 -0.17 -0.02 0.71 -0.68 0.00 0.00 175.30 175.89 1mio s TYR 417 N -3.46 2.94 0.00 -0.53 2.02 -1.26 -4.69 117.35 112.37 1mio s TYR 417 Ca 0.33 -0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.98 1mio s TYR 417 Cb 0.07 -1.52 0.00 0.00 -0.40 0.00 0.00 41.96 40.11 1mio s TYR 417 CO 0.12 0.47 0.00 0.41 -1.57 0.00 0.00 175.55 174.98 1mio n GLY 418 N 0.62 2.12 0.25 0.71 0.00 -1.26 -4.85 105.19 102.77 1mio n GLY 418 Ca -0.11 -0.14 0.24 0.00 0.00 0.00 0.00 46.02 46.00 1mio n GLY 418 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1mio n HIS 419 N 0.00 0.76 0.34 1.61 1.44 -1.26 -1.10 115.22 117.01 1mio n HIS 419 Ca 0.00 0.76 0.14 0.00 -2.01 0.00 0.00 57.72 56.61 1mio n HIS 419 Cb 0.00 -1.19 0.59 0.00 0.12 0.00 0.00 29.99 29.52 1mio n HIS 419 CO 0.00 0.00 0.00 0.10 -2.81 0.00 0.00 176.34 173.63 1mio h TYR 420 N 0.00 0.00 -0.38 -1.40 -0.00 -1.91 -2.85 116.97 110.44 1mio h TYR 420 Ca 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.33 1mio h TYR 420 Cb 1.66 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.39 1mio h TYR 420 CO -0.01 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 178.81 1mio n TYR 421 N -2.50 0.48 -3.99 0.10 4.01 -0.25 -3.76 117.16 111.24 1mio n TYR 421 Ca 0.01 -0.24 -0.11 0.00 -0.16 0.00 0.00 57.90 57.40 1mio n TYR 421 Cb 0.22 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.13 1mio n TYR 421 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1mio s ASN 422 N -1.47 0.34 0.89 7.72 4.22 -1.08 -4.95 114.94 120.62 1mio s ASN 422 Ca 0.38 -0.40 -0.10 0.00 -2.14 0.00 0.00 52.86 50.60 1mio s ASN 422 Cb 0.22 0.06 0.19 0.00 1.28 0.00 0.00 41.25 43.01 1mio s ASN 422 CO 0.31 -0.21 1.21 -0.81 -2.04 0.00 0.00 177.10 175.56 1mio n PRO 423 N 1.91 -0.82 -0.20 3.55 -0.04 -1.26 -4.78 135.00 133.36 1mio n PRO 423 Ca -0.21 -2.38 0.02 0.00 -0.04 0.00 0.00 63.50 60.89 1mio n PRO 423 Cb 0.56 -1.09 0.02 0.00 -0.04 0.00 0.00 33.50 32.95 1mio n PRO 423 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1mio n LYS 424 N -3.46 0.62 -4.54 0.54 4.01 -1.26 -4.54 118.16 109.54 1mio n LYS 424 Ca 0.17 -1.16 -0.22 0.00 -0.51 0.00 0.00 58.31 56.59 1mio n LYS 424 Cb 0.59 -0.73 -0.14 0.00 -0.51 0.00 0.00 35.03 34.24 1mio n LYS 424 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1mio s VAL 425 N -0.61 1.13 0.00 -0.18 1.01 -1.26 -4.54 120.40 115.95 1mio s VAL 425 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1mio s VAL 425 Cb 0.05 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1mio s VAL 425 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1mio n GLY 426 N 2.39 -1.23 0.12 4.51 0.00 0.10 -2.83 105.19 108.25 1mio n GLY 426 Ca -0.16 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 43.96 1mio n GLY 426 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1mio h TYR 427 N 0.00 0.60 -0.04 1.61 0.05 -1.89 -3.04 116.97 114.27 1mio h TYR 427 Ca 0.00 -0.44 0.04 0.00 0.05 0.00 0.00 58.73 58.37 1mio h TYR 427 Cb 0.00 -0.02 -0.06 0.00 1.01 0.00 0.00 36.73 37.66 1mio h TYR 427 CO 0.00 1.39 -0.38 0.87 -1.05 0.00 0.00 178.16 178.99 1mio h LYS 428 N -0.27 -0.49 0.00 4.88 6.56 -1.88 0.04 116.57 125.40 1mio h LYS 428 Ca -0.19 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.44 1mio h LYS 428 Cb 1.75 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 33.52 1mio h LYS 428 CO 0.16 -0.33 0.00 0.41 -2.06 0.00 0.00 179.45 177.63 1mio n GLY 429 N -1.43 -1.20 0.13 3.86 0.00 -1.13 -0.77 105.19 104.64 1mio n GLY 429 Ca -0.05 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 1mio n GLY 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mio h ALA 430 N 2.25 0.32 -0.08 4.61 0.00 -1.27 -2.35 119.26 122.74 1mio h ALA 430 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.69 1mio h ALA 430 Cb 0.31 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1mio h ALA 430 CO 0.00 1.19 0.05 0.82 0.00 0.00 0.00 179.25 181.31 1mio h ILE 431 N 0.07 1.04 -0.32 0.00 2.04 -0.28 0.10 117.51 120.18 1mio h ILE 431 Ca -0.32 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.50 1mio h ILE 431 Cb 2.05 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 39.03 1mio h ILE 431 CO 0.14 0.04 -0.00 -0.09 0.00 0.00 0.00 178.15 178.24 1mio h ARG 432 N 0.09 0.08 -0.32 2.37 9.65 -1.08 0.60 114.38 125.77 1mio h ARG 432 Ca 0.03 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 1mio h ARG 432 Cb 0.01 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1mio h ARG 432 CO -0.01 0.06 0.09 -0.07 2.80 0.00 0.00 179.97 182.84 1mio h LEU 433 N 0.09 0.48 -1.42 3.80 3.38 -1.07 -1.01 115.31 119.56 1mio h LEU 433 Ca 0.15 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.96 1mio h LEU 433 Cb 0.21 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1mio h LEU 433 CO -0.26 0.57 0.45 0.58 0.09 0.00 0.00 178.44 179.88 1mio h VAL 434 N 0.37 1.02 0.41 1.22 2.07 -0.44 -1.53 116.25 119.36 1mio h VAL 434 Ca 0.10 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1mio h VAL 434 Cb 0.27 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1mio h VAL 434 CO -0.00 0.13 -0.20 -0.08 0.02 0.00 0.00 177.57 177.44 1mio h GLU 435 N 0.71 -0.54 -0.15 1.57 4.81 -0.54 -2.76 114.58 117.67 1mio h GLU 435 Ca 0.29 0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.44 1mio h GLU 435 Cb 0.25 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1mio h GLU 435 CO -0.09 -0.26 -0.43 1.49 -0.73 0.00 0.00 179.01 178.99 1mio h GLU 436 N -0.76 0.36 -0.08 1.92 4.57 -0.55 -0.98 114.58 119.06 1mio h GLU 436 Ca -0.06 -0.18 -0.12 0.00 -1.18 0.00 0.00 59.36 57.82 1mio h GLU 436 Cb 0.53 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1mio h GLU 436 CO 0.09 0.73 -0.49 -0.84 -1.18 0.00 0.00 179.01 177.32 1mio h ILE 437 N 0.30 1.35 0.01 2.32 -0.00 -1.34 -2.73 117.51 117.40 1mio h ILE 437 Ca 0.02 -1.71 -0.00 0.00 -0.00 0.00 0.00 64.86 63.17 1mio h ILE 437 Cb 0.88 1.84 0.00 0.00 -0.00 0.00 0.00 36.82 39.54 1mio h ILE 437 CO 0.07 0.51 -0.00 0.74 -0.00 0.00 0.00 178.15 179.47 1mio h THR 438 N 0.16 1.46 -0.39 0.16 2.02 -1.21 -2.59 112.91 112.53 1mio h THR 438 Ca 0.01 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 65.76 1mio h THR 438 Cb 0.93 2.43 -0.02 0.00 -1.74 0.00 0.00 68.15 69.74 1mio h THR 438 CO 0.07 0.37 0.22 0.78 0.37 0.00 0.00 175.52 177.33 1mio h ASN 439 N -0.62 0.47 -1.00 4.18 -0.26 -1.00 0.10 115.58 117.46 1mio h ASN 439 Ca -0.00 -0.07 0.22 0.00 -0.56 0.00 0.00 56.30 55.89 1mio h ASN 439 Cb 0.61 -0.12 -0.11 0.00 -1.06 0.00 0.00 38.32 37.64 1mio h ASN 439 CO 0.00 0.40 0.62 0.58 -1.06 0.00 0.00 177.43 177.97 1mio h VAL 440 N 0.50 0.63 0.13 2.81 2.07 -1.56 0.42 116.25 121.24 1mio h VAL 440 Ca 0.14 -0.21 -0.18 0.00 0.82 0.00 0.00 66.70 67.26 1mio h VAL 440 Cb 0.03 -0.05 0.02 0.00 -1.52 0.00 0.00 31.29 29.77 1mio h VAL 440 CO -0.02 0.11 -0.80 0.40 0.02 0.00 0.00 177.57 177.28 1mio h ILE 441 N 0.62 1.50 -0.53 4.57 2.04 -0.88 -2.90 117.51 121.94 1mio h ILE 441 Ca 0.59 -2.49 -0.11 0.00 1.00 0.00 0.00 64.86 63.84 1mio h ILE 441 Cb 1.12 3.14 -0.02 0.00 -0.74 0.00 0.00 36.82 40.32 1mio h ILE 441 CO -0.37 0.71 -0.11 -0.07 0.00 0.00 0.00 178.15 178.31 1mio h LEU 442 N -0.34 1.01 -0.32 1.44 -0.00 0.45 -2.87 115.31 114.68 1mio h LEU 442 Ca -0.14 -0.35 0.01 0.00 -0.00 0.00 0.00 57.88 57.40 1mio h LEU 442 Cb 1.62 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 41.98 1mio h LEU 442 CO 0.15 1.13 0.20 0.44 -0.00 0.00 0.00 178.44 180.36 1mio h ASP 443 N 0.88 0.34 -0.05 -0.43 3.32 -0.35 0.23 116.42 120.35 1mio h ASP 443 Ca 0.14 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.22 1mio h ASP 443 Cb 0.67 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.09 1mio h ASP 443 CO 0.05 0.25 -0.40 0.50 -1.72 0.00 0.00 179.24 177.91 1mio h LYS 444 N 0.41 -0.50 -0.44 3.56 1.63 -1.48 -1.25 116.57 118.49 1mio h LYS 444 Ca 0.12 0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.83 1mio h LYS 444 Cb -0.03 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1mio h LYS 444 CO -0.04 -0.34 -0.23 -0.84 -3.45 0.00 0.00 179.45 174.55 1mio h ILE 445 N -0.52 1.27 -0.17 2.00 3.07 -1.24 0.53 117.51 122.44 1mio h ILE 445 Ca 0.06 -1.38 0.05 0.00 1.55 0.00 0.00 64.86 65.15 1mio h ILE 445 Cb 0.63 1.17 -0.01 0.00 -0.27 0.00 0.00 36.82 38.34 1mio h ILE 445 CO -0.34 0.47 0.14 -0.33 -1.05 0.00 0.00 178.15 177.03 1mio h GLU 446 N 0.78 0.00 0.06 0.16 4.39 -0.83 -0.49 114.58 118.65 1mio h GLU 446 Ca 0.10 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.64 1mio h GLU 446 Cb 0.78 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1mio h GLU 446 CO 0.06 0.00 -0.83 -0.09 -1.16 0.00 0.00 179.01 176.99 1mio h ARG 447 N 0.00 0.13 -0.06 2.33 2.43 0.07 -3.39 114.38 115.89 1mio h ARG 447 Ca 0.08 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1mio h ARG 447 Cb 0.36 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1mio h ARG 447 CO -0.00 1.10 0.00 0.39 -1.51 0.00 0.00 179.97 179.95 1mio n GLU 448 N -4.28 2.02 -1.49 0.20 -0.58 0.03 -4.95 120.64 111.60 1mio n GLU 448 Ca -0.20 -1.49 -0.30 0.00 -0.42 0.00 0.00 57.16 54.75 1mio n GLU 448 Cb 0.71 -1.47 0.19 0.00 -0.57 0.00 0.00 31.44 30.30 1mio n GLU 448 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mio s THR 450 N -3.36 3.56 0.11 0.00 -4.23 -1.26 -4.94 115.64 105.51 1mio s THR 450 Ca 0.69 -0.35 0.34 0.00 -1.18 0.00 0.00 61.69 61.19 1mio s THR 450 Cb -0.10 -3.36 0.38 0.00 1.34 0.00 0.00 72.50 70.77 1mio s THR 450 CO 0.54 -0.30 2.00 -0.33 -0.54 0.00 0.00 174.62 175.99 1mio h GLU 451 N 0.10 0.00 -0.02 3.99 5.08 -1.97 0.86 114.58 122.63 1mio h GLU 451 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1mio h GLU 451 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1mio h GLU 451 CO 0.58 0.00 -0.09 -0.85 -1.00 0.00 0.00 179.01 177.65 1mio n GLU 452 N -2.99 1.54 -0.20 2.33 -0.00 -1.26 -3.59 120.64 116.47 1mio n GLU 452 Ca 0.00 -0.99 0.06 0.00 -0.00 0.00 0.00 57.16 56.23 1mio n GLU 452 Cb 0.27 -1.48 0.17 0.00 -0.00 0.00 0.00 31.44 30.40 1mio n GLU 452 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1mio n ASP 453 N 0.14 3.03 -4.74 -1.84 9.92 0.28 -4.95 116.55 118.38 1mio n ASP 453 Ca 0.16 -1.99 -0.40 0.00 -0.53 0.00 0.00 54.79 52.03 1mio n ASP 453 Cb 0.40 -0.26 -0.05 0.00 -0.64 0.00 0.00 41.12 40.57 1mio n ASP 453 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1mio s PHE 454 N -1.00 3.72 0.39 1.24 5.36 -1.08 -4.74 117.98 121.87 1mio s PHE 454 Ca 0.26 1.50 0.08 0.00 -0.96 0.00 0.00 56.93 57.81 1mio s PHE 454 Cb 0.14 -2.87 -0.04 0.00 -0.34 0.00 0.00 43.02 39.91 1mio s PHE 454 CO 0.18 0.22 0.22 -1.21 -1.46 0.00 0.00 175.22 173.17 1mio s GLU 455 N 0.14 2.36 -0.00 10.12 0.41 -1.26 -5.07 118.70 125.40 1mio s GLU 455 Ca 0.40 -1.66 0.00 0.00 -0.41 0.00 0.00 54.97 53.30 1mio s GLU 455 Cb -0.21 -2.15 -0.00 0.00 -1.78 0.00 0.00 34.13 29.99 1mio s GLU 455 CO 0.24 -0.05 -0.00 1.55 -0.49 0.00 0.00 175.26 176.50 1mio n VAL 456 N -1.28 0.02 -4.09 2.63 3.14 -1.26 -4.97 118.33 112.51 1mio n VAL 456 Ca -0.01 -0.01 -0.33 0.00 -2.96 0.00 0.00 64.34 61.04 1mio n VAL 456 Cb 0.63 -0.56 -0.07 0.00 -1.06 0.00 0.00 33.84 32.78 1mio n VAL 456 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1mio s VAL 457 N -2.01 4.73 0.00 1.55 1.01 -1.26 -5.31 120.40 119.11 1mio s VAL 457 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1mio s VAL 457 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1mio s VAL 457 CO 0.01 0.33 0.00 -1.14 0.00 0.00 0.00 175.10 174.30