#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mio n GLU 3 N 0.00 0.00 -0.08 -1.46 0.00 -1.26 -4.38 120.64 113.47 1mio n GLU 3 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 1mio n GLU 3 Cb 0.00 -0.11 0.07 0.00 0.00 0.00 0.00 31.44 31.40 1mio n GLU 3 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 1mio h ASN 4 N 0.00 0.79 0.79 4.31 -1.24 -2.02 -1.90 115.58 116.31 1mio h ASN 4 Ca 0.00 -0.31 -0.09 0.00 0.71 0.00 0.00 56.30 56.61 1mio h ASN 4 Cb 0.19 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 1mio h ASN 4 CO 0.00 1.03 -0.41 0.25 -1.29 0.00 0.00 177.43 177.01 1mio h LEU 5 N 0.65 0.00 -1.57 0.34 5.85 -2.01 -3.00 115.31 115.57 1mio h LEU 5 Ca 0.08 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.93 1mio h LEU 5 Cb 0.82 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1mio h LEU 5 CO 0.07 0.41 0.49 0.11 -0.34 0.00 0.00 178.44 179.18 1mio h LYS 6 N 0.00 0.43 -0.00 1.25 1.57 -1.73 -1.10 116.57 116.99 1mio h LYS 6 Ca -0.00 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.57 1mio h LYS 6 Cb 0.92 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1mio h LYS 6 CO 0.05 0.28 -0.81 -0.44 -0.57 0.00 0.00 179.45 177.96 1mio h ASP 7 N 0.44 0.16 -0.30 0.86 3.32 -1.48 0.12 116.42 119.54 1mio h ASP 7 Ca 0.35 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 1mio h ASP 7 Cb 0.76 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1mio h ASP 7 CO -0.11 0.90 -0.19 -0.33 -1.72 0.00 0.00 179.24 177.79 1mio h GLU 8 N 0.07 0.66 0.26 3.56 4.39 -1.24 -1.45 114.58 120.82 1mio h GLU 8 Ca -0.03 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.35 1mio h GLU 8 Cb 1.42 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 1mio h GLU 8 CO 0.12 0.90 -0.12 0.82 -1.16 0.00 0.00 179.01 179.57 1mio h ILE 9 N 0.41 0.65 0.00 3.13 2.04 -1.28 -3.30 117.51 119.16 1mio h ILE 9 Ca 0.06 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1mio h ILE 9 Cb 0.73 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1mio h ILE 9 CO 0.05 0.15 0.00 -0.07 0.00 0.00 0.00 178.15 178.28 1mio h LEU 10 N -0.88 0.00 -0.70 1.44 3.38 -0.83 -3.27 115.31 114.45 1mio h LEU 10 Ca -0.04 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.09 1mio h LEU 10 Cb 0.51 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.14 1mio h LEU 10 CO 0.06 0.00 -0.02 -0.08 0.09 0.00 0.00 178.44 178.49 1mio h GLU 11 N 0.00 0.09 0.00 1.13 4.81 -1.33 -2.58 114.58 116.69 1mio h GLU 11 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1mio h GLU 11 Cb 0.23 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1mio h GLU 11 CO 0.00 0.06 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.09 1mio h LYS 12 N 0.10 0.00 -6.98 1.92 3.11 -1.78 -3.47 116.57 109.46 1mio h LYS 12 Ca 0.37 0.00 -0.49 0.00 -2.81 0.00 0.00 60.65 57.72 1mio h LYS 12 Cb 0.63 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 31.89 1mio h LYS 12 CO -0.62 0.03 0.44 0.71 -2.81 0.00 0.00 179.45 177.19 1mio s TYR 13 N -3.28 3.11 0.31 1.91 2.02 -0.98 -4.99 117.35 115.46 1mio s TYR 13 Ca 0.06 1.60 -0.28 0.00 -0.37 0.00 0.00 57.07 58.08 1mio s TYR 13 Cb 0.06 -3.21 -0.09 0.00 -0.40 0.00 0.00 41.96 38.32 1mio s TYR 13 CO 0.65 -0.94 1.06 0.96 -1.57 0.00 0.00 175.55 175.71 1mio s ILE 14 N -1.64 3.63 0.50 2.71 -4.36 -1.26 -4.55 121.20 116.22 1mio s ILE 14 Ca 0.60 1.52 0.21 0.00 -0.26 0.00 0.00 60.65 62.72 1mio s ILE 14 Cb -0.24 -3.92 0.36 0.00 1.25 0.00 0.00 42.46 39.92 1mio s ILE 14 CO 0.29 0.27 2.00 1.55 0.24 0.00 0.00 174.94 179.30 1mio h PRO 15 N 3.46 0.12 -0.47 0.37 0.13 -1.96 0.19 132.00 133.84 1mio h PRO 15 Ca -0.47 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 1mio h PRO 15 Cb 1.21 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1mio h PRO 15 CO 0.66 0.08 -0.16 -0.22 -0.23 0.00 0.00 178.00 178.12 1mio h LYS 16 N 0.12 0.92 0.18 0.86 1.63 -1.99 0.19 116.57 118.48 1mio h LYS 16 Ca 0.24 -0.35 -0.28 0.00 -0.85 0.00 0.00 60.65 59.40 1mio h LYS 16 Cb 0.78 -0.05 0.03 0.00 -0.60 0.00 0.00 32.23 32.40 1mio h LYS 16 CO -0.03 1.01 -1.23 1.15 -3.45 0.00 0.00 179.45 176.90 1mio h THR 17 N 0.81 1.34 -1.00 1.00 2.02 -1.30 -2.97 112.91 112.81 1mio h THR 17 Ca 0.12 -2.56 0.15 0.00 0.77 0.00 0.00 66.41 64.89 1mio h THR 17 Cb 0.71 2.97 -0.10 0.00 -1.74 0.00 0.00 68.15 69.99 1mio h THR 17 CO 0.05 0.76 0.62 0.50 0.37 0.00 0.00 175.52 177.82 1mio h LYS 18 N 0.05 0.85 0.22 6.66 3.64 -0.60 0.88 116.57 128.28 1mio h LYS 18 Ca -0.20 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1mio h LYS 18 Cb 1.94 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.57 1mio h LYS 18 CO 0.23 0.57 -0.11 -0.22 -2.27 0.00 0.00 179.45 177.65 1mio h LYS 19 N 0.88 -0.28 -0.11 1.90 3.11 -0.64 -2.61 116.57 118.82 1mio h LYS 19 Ca 0.53 0.02 0.02 0.00 -2.81 0.00 0.00 60.65 58.41 1mio h LYS 19 Cb 0.68 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.96 1mio h LYS 19 CO -0.32 0.06 0.01 1.79 -2.81 0.00 0.00 179.45 178.18 1mio h THR 20 N -0.69 0.93 -0.24 1.00 1.35 -1.33 -3.04 112.91 110.89 1mio h THR 20 Ca -0.03 -0.02 0.02 0.00 -0.55 0.00 0.00 66.41 65.83 1mio h THR 20 Cb 0.48 0.88 -0.02 0.00 -1.73 0.00 0.00 68.15 67.75 1mio h THR 20 CO 0.05 0.01 0.09 0.03 -0.25 0.00 0.00 175.52 175.45 1mio h ARG 21 N 0.05 0.21 -0.63 4.72 2.47 -0.91 -3.28 114.38 117.00 1mio h ARG 21 Ca 0.05 -0.01 0.13 0.00 -1.26 0.00 0.00 59.98 58.89 1mio h ARG 21 Cb 0.06 -0.05 -0.12 0.00 -1.65 0.00 0.00 29.97 28.21 1mio h ARG 21 CO -0.08 0.14 -0.15 0.45 0.56 0.00 0.00 179.97 180.88 1mio n SER 22 N -5.02 -0.22 0.21 7.04 2.88 -0.98 -1.17 113.62 116.35 1mio n SER 22 Ca -0.02 1.09 0.15 0.00 -1.33 0.00 0.00 58.87 58.76 1mio n SER 22 Cb 0.08 -0.33 0.65 0.00 -0.75 0.00 0.00 64.21 63.85 1mio n SER 22 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1mio h GLY 23 N 0.00 0.00 1.98 0.46 0.00 -1.75 -2.72 103.07 101.04 1mio h GLY 23 Ca 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.58 1mio h GLY 23 CO -0.65 0.00 -0.28 0.45 0.00 0.00 0.00 176.54 176.06 1mio h HIS 24 N 0.00 0.00 -3.55 5.60 -0.00 -1.31 -0.13 115.15 115.76 1mio h HIS 24 Ca 0.00 0.00 -0.71 0.00 -0.00 0.00 0.00 60.37 59.66 1mio h HIS 24 Cb 0.35 0.00 -0.20 0.00 -0.00 0.00 0.00 27.41 27.55 1mio h HIS 24 CO 0.00 0.26 -0.42 0.42 -0.00 0.00 0.00 177.93 178.19 1mio s ILE 25 N -3.08 5.25 -0.04 2.45 1.09 -1.03 -1.23 121.20 124.61 1mio s ILE 25 Ca 0.05 -0.52 0.06 0.00 -1.10 0.00 0.00 60.65 59.14 1mio s ILE 25 Cb 0.06 -3.89 -0.02 0.00 -1.06 0.00 0.00 42.46 37.55 1mio s ILE 25 CO 0.71 -0.25 -0.20 0.54 -0.10 0.00 0.00 174.94 175.64 1mio s VAL 26 N 1.74 2.56 -0.16 2.92 0.11 -0.69 -4.98 120.40 121.91 1mio s VAL 26 Ca 0.06 -0.91 -0.03 0.00 -2.93 0.00 0.00 61.98 58.17 1mio s VAL 26 Cb -0.18 -1.96 -0.02 0.00 -1.53 0.00 0.00 36.38 32.68 1mio s VAL 26 CO 0.10 0.58 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.78 1mio s ILE 27 N -0.61 3.77 0.07 7.04 1.01 -1.26 -1.09 121.20 130.14 1mio s ILE 27 Ca 0.09 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 1mio s ILE 27 Cb -0.11 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 1mio s ILE 27 CO 0.00 0.49 0.93 -0.75 0.00 0.00 0.00 174.94 175.61 1mio s LYS 28 N 0.44 4.63 0.07 2.79 2.20 -0.64 -3.68 119.74 125.55 1mio s LYS 28 Ca -0.04 1.37 0.05 0.00 -0.36 0.00 0.00 55.97 56.99 1mio s LYS 28 Cb -0.14 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1mio s LYS 28 CO 0.03 0.16 -0.14 0.99 -0.36 0.00 0.00 175.35 176.04 1mio s THR 29 N 0.23 1.07 0.26 3.43 2.01 -1.23 -1.46 115.64 119.96 1mio s THR 29 Ca 0.47 -1.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.18 1mio s THR 29 Cb -0.22 -1.03 0.16 0.00 0.01 0.00 0.00 72.50 71.41 1mio s THR 29 CO 0.28 -0.21 1.82 -0.08 -0.69 0.00 0.00 174.62 175.74 1mio h GLU 30 N 4.37 0.92 -0.94 4.92 4.22 -1.97 -2.28 114.58 123.83 1mio h GLU 30 Ca -0.40 -0.18 0.25 0.00 0.08 0.00 0.00 59.36 59.11 1mio h GLU 30 Cb 1.19 -0.14 -0.17 0.00 0.50 0.00 0.00 28.75 30.13 1mio h GLU 30 CO 0.41 0.80 0.06 0.93 -2.18 0.00 0.00 179.01 179.02 1mio h GLU 31 N 0.89 0.05 -2.84 1.92 4.39 -2.01 -2.95 114.58 114.03 1mio h GLU 31 Ca 0.20 -0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.29 1mio h GLU 31 Cb 0.27 -0.01 -0.41 0.00 -0.10 0.00 0.00 28.75 28.50 1mio h GLU 31 CO -0.01 0.03 -0.71 0.95 -1.16 0.00 0.00 179.01 178.12 1mio s THR 32 N -6.01 2.05 -1.99 1.13 -4.23 -0.87 -4.99 115.64 100.73 1mio s THR 32 Ca -0.13 -3.75 0.04 0.00 -1.18 0.00 0.00 61.69 56.67 1mio s THR 32 Cb 0.28 -2.35 0.10 0.00 1.34 0.00 0.00 72.50 71.86 1mio s THR 32 CO 0.77 -1.09 0.70 -0.81 -0.54 0.00 0.00 174.62 173.66 1mio n PRO 33 N 2.25 0.11 0.00 3.99 -0.04 -1.11 -3.51 135.00 136.69 1mio n PRO 33 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1mio n PRO 33 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1mio n PRO 33 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1mio n ASN 34 N -1.01 0.00 -0.64 3.54 5.15 -1.25 -4.85 115.26 116.21 1mio n ASN 34 Ca 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 1mio n ASN 34 Cb 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 1mio n ASN 34 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1mio n PRO 35 N 0.00 2.63 -4.83 1.20 -0.05 -1.24 -5.06 135.00 127.65 1mio n PRO 35 Ca 0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 63.50 63.12 1mio n PRO 35 Cb 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 33.50 33.31 1mio n PRO 35 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 1mio s GLU 36 N 1.05 2.99 0.30 0.54 2.02 -1.26 -4.79 118.70 119.55 1mio s GLU 36 Ca 0.00 -0.69 0.08 0.00 0.02 0.00 0.00 54.97 54.38 1mio s GLU 36 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 1mio s GLU 36 CO 0.00 0.40 0.14 -1.50 0.02 0.00 0.00 175.26 174.32 1mio s ILE 37 N -0.14 3.54 -0.30 -1.63 2.07 -1.26 -4.90 121.20 118.58 1mio s ILE 37 Ca -0.01 -1.64 -0.00 0.00 -1.41 0.00 0.00 60.65 57.59 1mio s ILE 37 Cb -0.14 -3.07 0.06 0.00 0.13 0.00 0.00 42.46 39.44 1mio s ILE 37 CO 0.03 -0.27 -0.02 -0.69 -1.91 0.00 0.00 174.94 172.08 1mio s VAL 38 N -2.31 2.74 0.22 4.00 1.01 -0.06 -4.90 120.40 121.11 1mio s VAL 38 Ca 0.35 -1.54 0.09 0.00 0.00 0.00 0.00 61.98 60.89 1mio s VAL 38 Cb -0.05 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1mio s VAL 38 CO 0.23 -0.14 -0.07 0.00 0.00 0.00 0.00 175.10 175.12 1mio s ALA 39 N 1.19 3.01 -1.12 5.51 0.00 -1.26 -4.20 121.76 124.89 1mio s ALA 39 Ca -0.05 -1.58 -0.08 0.00 0.00 0.00 0.00 51.96 50.25 1mio s ALA 39 Cb -0.20 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1mio s ALA 39 CO -0.03 0.37 0.88 -1.71 0.00 0.00 0.00 175.76 175.28 1mio n ASN 40 N -0.39 -5.16 -4.21 0.00 4.05 -1.25 -4.74 115.26 103.56 1mio n ASN 40 Ca -0.08 -0.77 -0.26 0.00 0.45 0.00 0.00 54.58 53.91 1mio n ASN 40 Cb 0.57 -4.71 -0.08 0.00 1.23 0.00 0.00 39.78 36.79 1mio n ASN 40 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1mio s THR 41 N -3.43 0.70 0.41 -0.44 2.01 -1.26 -4.57 115.64 109.06 1mio s THR 41 Ca 0.35 -2.00 -0.22 0.00 0.31 0.00 0.00 61.69 60.13 1mio s THR 41 Cb -0.07 -2.34 -0.13 0.00 0.01 0.00 0.00 72.50 69.96 1mio s THR 41 CO 0.77 0.00 0.43 0.54 -0.69 0.00 0.00 174.62 175.67 1mio n ARG 42 N -0.95 0.41 -2.84 4.92 3.00 -1.26 -4.82 116.66 115.13 1mio n ARG 42 Ca -0.07 0.15 -0.34 0.00 -0.01 0.00 0.00 57.85 57.57 1mio n ARG 42 Cb 0.65 -1.37 -0.07 0.00 0.00 0.00 0.00 32.46 31.68 1mio n ARG 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1mio s THR 43 N -1.51 4.35 -0.09 0.55 2.01 -1.26 -5.04 115.64 114.65 1mio s THR 43 Ca 0.62 1.56 -0.30 0.00 0.31 0.00 0.00 61.69 63.89 1mio s THR 43 Cb -0.62 -3.75 -0.01 0.00 0.01 0.00 0.00 72.50 68.13 1mio s THR 43 CO 0.59 -0.14 1.01 0.68 -0.69 0.00 0.00 174.62 176.07 1mio s VAL 44 N -1.96 4.78 0.55 3.82 -7.23 -1.26 -5.02 120.40 114.08 1mio s VAL 44 Ca 0.57 2.04 -0.21 0.00 -1.81 0.00 0.00 61.98 62.56 1mio s VAL 44 Cb -0.13 -4.31 -0.05 0.00 0.56 0.00 0.00 36.38 32.45 1mio s VAL 44 CO 0.17 0.02 1.22 -2.65 -0.31 0.00 0.00 175.10 173.56 1mio n PRO 45 N 4.87 1.44 -0.71 4.82 -0.02 -1.26 -3.21 135.00 140.94 1mio n PRO 45 Ca 0.08 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1mio n PRO 45 Cb 0.49 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1mio n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mio n GLY 46 N 0.94 0.61 3.84 -1.23 0.00 -1.26 -4.98 105.19 103.11 1mio n GLY 46 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1mio n GLY 46 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1mio s ILE 47 N -2.57 4.54 -0.54 -0.61 1.10 -1.20 -5.03 121.20 116.89 1mio s ILE 47 Ca 0.00 1.20 -0.20 0.00 -0.51 0.00 0.00 60.65 61.14 1mio s ILE 47 Cb 0.00 -3.64 0.07 0.00 0.15 0.00 0.00 42.46 39.04 1mio s ILE 47 CO 0.00 -0.36 0.69 -0.63 -2.11 0.00 0.00 174.94 172.53 1mio s ILE 48 N -2.22 4.79 0.47 2.00 1.01 -1.26 -4.99 121.20 121.00 1mio s ILE 48 Ca 0.58 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.75 1mio s ILE 48 Cb -0.10 -4.39 0.02 0.00 0.01 0.00 0.00 42.46 38.00 1mio s ILE 48 CO 0.19 -0.96 0.52 0.28 0.00 0.00 0.00 174.94 174.97 1mio s THR 49 N 2.83 2.51 -0.19 2.92 -1.32 -1.26 -2.07 115.64 119.05 1mio s THR 49 Ca 0.16 -1.20 0.21 0.00 -1.21 0.00 0.00 61.69 59.65 1mio s THR 49 Cb -0.20 -2.71 -0.06 0.00 -1.51 0.00 0.00 72.50 68.02 1mio s THR 49 CO 0.11 0.00 0.94 0.00 -2.21 0.00 0.00 174.62 173.46 1mio n ALA 50 N -1.80 2.42 -0.81 11.08 0.00 -1.26 -4.98 120.51 125.16 1mio n ALA 50 Ca 0.06 -0.33 -0.32 0.00 0.00 0.00 0.00 53.44 52.85 1mio n ALA 50 Cb 0.61 -1.04 0.15 0.00 0.00 0.00 0.00 19.45 19.18 1mio n ALA 50 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1mio n ARG 51 N -2.69 -0.27 0.00 0.00 0.63 -1.26 -5.11 116.66 107.97 1mio n ARG 51 Ca -0.03 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 1mio n ARG 51 Cb 0.62 -2.33 0.00 0.00 0.45 0.00 0.00 32.46 31.19 1mio n ARG 51 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1mio n GLY 52 N 0.49 5.46 3.67 5.14 0.00 -1.26 -5.03 105.19 113.66 1mio n GLY 52 Ca 0.12 -1.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.02 1mio n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mio h ALA 54 N 1.67 0.73 -0.85 0.00 0.00 -1.67 -2.53 119.26 116.61 1mio h ALA 54 Ca -0.43 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 54.59 1mio h ALA 54 Cb 1.25 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1mio h ALA 54 CO 0.68 0.21 0.57 -0.92 0.00 0.00 0.00 179.25 179.79 1mio h TYR 55 N 0.77 0.52 0.00 0.00 5.03 -1.39 -1.91 116.97 119.99 1mio h TYR 55 Ca 0.20 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.48 1mio h TYR 55 Cb -0.01 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.10 1mio h TYR 55 CO -0.02 0.16 -0.22 0.00 -1.32 0.00 0.00 178.16 176.76 1mio h ALA 56 N 1.62 1.56 0.00 1.82 0.00 -1.76 -1.20 119.26 121.31 1mio h ALA 56 Ca 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1mio h ALA 56 Cb 1.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1mio h ALA 56 CO -0.16 0.27 -0.58 0.41 0.00 0.00 0.00 179.25 179.20 1mio n GLY 57 N -0.83 -1.33 0.26 0.00 0.00 -0.73 -1.90 105.19 100.66 1mio n GLY 57 Ca -0.02 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 1mio n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mio h LYS 59 N -0.83 0.28 0.02 0.00 3.11 -1.48 0.11 116.57 117.77 1mio h LYS 59 Ca -0.16 -0.46 -0.00 0.00 -2.81 0.00 0.00 60.65 57.22 1mio h LYS 59 Cb 1.01 0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 32.41 1mio h LYS 59 CO -0.10 1.21 -0.02 0.78 -2.81 0.00 0.00 179.45 178.52 1mio h GLY 60 N -0.41 -0.54 0.03 5.01 0.00 -1.40 -0.70 103.07 105.06 1mio h GLY 60 Ca -0.12 0.23 -0.37 0.00 0.00 0.00 0.00 47.33 47.06 1mio h GLY 60 CO 0.14 -0.20 -2.40 3.33 0.00 0.00 0.00 176.54 177.41 1mio n VAL 61 N -2.29 1.43 -0.10 4.60 0.24 -0.80 -4.30 118.33 117.12 1mio n VAL 61 Ca -0.00 -0.76 -0.23 0.00 -2.04 0.00 0.00 64.34 61.30 1mio n VAL 61 Cb 0.01 -0.80 -0.12 0.00 -1.47 0.00 0.00 33.84 31.47 1mio n VAL 61 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1mio n VAL 62 N -2.93 1.57 0.09 3.34 0.31 -1.03 -4.58 118.33 115.10 1mio n VAL 62 Ca -0.37 -0.20 -0.23 0.00 -0.01 0.00 0.00 64.34 63.53 1mio n VAL 62 Cb 1.10 -1.95 -0.15 0.00 -0.91 0.00 0.00 33.84 31.93 1mio n VAL 62 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1mio h MET 63 N -0.82 0.42 -0.93 5.55 2.07 -0.97 -3.39 114.93 116.87 1mio h MET 63 Ca -0.44 -0.71 0.09 0.00 -2.07 0.00 0.00 59.70 56.57 1mio h MET 63 Cb 1.49 0.27 -0.12 0.00 -1.87 0.00 0.00 31.60 31.36 1mio h MET 63 CO -0.21 1.34 -0.56 0.78 1.07 0.00 0.00 176.91 179.33 1mio h GLY 64 N -0.00 -0.76 -0.91 8.32 0.00 -1.24 -3.04 103.07 105.44 1mio h GLY 64 Ca -0.23 0.76 0.31 0.00 0.00 0.00 0.00 47.33 48.17 1mio h GLY 64 CO 0.20 0.00 0.59 -1.05 0.00 0.00 0.00 176.54 176.29 1mio n PRO 65 N -5.29 -0.02 -2.05 4.80 -0.02 -1.26 -4.64 135.00 126.53 1mio n PRO 65 Ca 0.02 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 1mio n PRO 65 Cb 0.28 -1.59 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1mio n PRO 65 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1mio s ILE 66 N -4.62 3.63 0.15 4.25 1.01 -1.15 -4.15 121.20 120.32 1mio s ILE 66 Ca -0.05 0.75 0.14 0.00 0.00 0.00 0.00 60.65 61.50 1mio s ILE 66 Cb 0.20 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 39.17 1mio s ILE 66 CO 0.53 -0.12 1.61 0.50 0.00 0.00 0.00 174.94 177.46 1mio h LYS 67 N 9.89 0.00 -0.34 2.79 3.64 -1.66 -3.33 116.57 127.55 1mio h LYS 67 Ca -0.37 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.86 1mio h LYS 67 Cb 1.17 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.90 1mio h LYS 67 CO 0.97 0.53 -0.04 -0.40 -2.27 0.00 0.00 179.45 178.24 1mio n ASP 68 N -3.55 2.80 -4.37 4.20 5.68 -1.26 -2.06 116.55 117.97 1mio n ASP 68 Ca -0.00 -3.60 -0.33 0.00 -0.50 0.00 0.00 54.79 50.36 1mio n ASP 68 Cb 0.62 -0.62 -0.14 0.00 -1.14 0.00 0.00 41.12 39.83 1mio n ASP 68 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 1mio s MET 69 N -3.15 3.16 0.04 0.11 -1.94 -1.25 -1.09 119.30 115.18 1mio s MET 69 Ca 0.44 -0.71 -0.31 0.00 -1.71 0.00 0.00 55.69 53.40 1mio s MET 69 Cb 0.39 -2.54 -0.06 0.00 2.01 0.00 0.00 34.83 34.64 1mio s MET 69 CO 0.02 0.29 1.30 0.08 -0.01 0.00 0.00 175.02 176.71 1mio s VAL 70 N 0.13 3.79 -0.38 -6.03 1.01 -1.15 -4.89 120.40 112.88 1mio s VAL 70 Ca -0.07 1.24 -0.07 0.00 0.00 0.00 0.00 61.98 63.08 1mio s VAL 70 Cb -0.15 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.50 1mio s VAL 70 CO 0.05 0.06 0.19 -1.00 0.00 0.00 0.00 175.10 174.39 1mio s HIS 71 N 1.57 3.34 -0.11 5.22 3.76 -1.26 -1.02 115.29 126.80 1mio s HIS 71 Ca 0.61 -1.64 -0.03 0.00 -0.15 0.00 0.00 55.06 53.85 1mio s HIS 71 Cb -0.31 -2.73 -0.03 0.00 1.11 0.00 0.00 32.58 30.61 1mio s HIS 71 CO 0.28 -0.83 0.01 -1.50 -0.85 0.00 0.00 174.74 171.85 1mio s ILE 72 N 1.37 4.36 -0.10 0.60 2.07 0.57 -4.12 121.20 125.94 1mio s ILE 72 Ca 0.02 -0.22 -0.23 0.00 -1.41 0.00 0.00 60.65 58.81 1mio s ILE 72 Cb -0.22 -2.86 -0.03 0.00 0.13 0.00 0.00 42.46 39.48 1mio s ILE 72 CO 0.01 0.58 0.70 -0.89 -1.91 0.00 0.00 174.94 173.42 1mio s THR 73 N -0.59 5.03 -0.39 4.00 2.01 -0.68 -0.99 115.64 124.03 1mio s THR 73 Ca 0.10 1.41 -0.12 0.00 0.31 0.00 0.00 61.69 63.38 1mio s THR 73 Cb -0.12 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.39 1mio s THR 73 CO 0.02 0.21 0.24 -2.28 -0.69 0.00 0.00 174.62 172.12 1mio s HIS 74 N 1.12 3.24 -5.00 4.92 2.46 0.02 -2.42 115.29 119.63 1mio s HIS 74 Ca 0.36 -0.82 0.00 0.00 0.47 0.00 0.00 55.06 55.07 1mio s HIS 74 Cb -0.17 -2.49 0.00 0.00 -0.13 0.00 0.00 32.58 29.79 1mio s HIS 74 CO 0.16 -0.62 0.00 0.41 -2.47 0.00 0.00 174.74 172.22 1mio n GLY 75 N 5.05 -0.87 3.35 1.59 0.00 -1.26 -2.95 105.19 110.09 1mio n GLY 75 Ca -0.12 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 1mio n GLY 75 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1mio n PRO 76 N -1.39 -3.43 -0.13 1.61 -0.02 -1.26 -2.00 135.00 128.38 1mio n PRO 76 Ca 0.00 -0.99 -0.10 0.00 -2.02 0.00 0.00 63.50 60.39 1mio n PRO 76 Cb 0.00 -2.02 0.04 0.00 -0.02 0.00 0.00 33.50 31.49 1mio n PRO 76 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1mio h ILE 77 N -3.06 1.27 0.00 4.25 6.09 -1.91 -3.28 117.51 120.87 1mio h ILE 77 Ca -0.54 -1.36 -0.00 0.00 -1.37 0.00 0.00 64.86 61.59 1mio h ILE 77 Cb 1.32 1.15 -0.00 0.00 0.47 0.00 0.00 36.82 39.76 1mio h ILE 77 CO 0.39 0.46 -0.00 1.23 -3.07 0.00 0.00 178.15 177.17 1mio h GLY 78 N 0.92 0.00 1.59 8.18 0.00 -1.98 -0.44 103.07 111.34 1mio h GLY 78 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.30 1mio h GLY 78 CO 0.06 0.00 -0.48 0.00 0.00 0.00 0.00 176.54 176.13 1mio h SER 80 N 0.35 -0.02 -0.83 0.00 0.02 -1.32 -3.31 113.55 108.45 1mio h SER 80 Ca 0.02 -0.73 0.20 0.00 -0.84 0.00 0.00 61.79 60.44 1mio h SER 80 Cb 0.97 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.37 1mio h SER 80 CO 0.08 0.82 0.03 0.15 -1.14 0.00 0.00 176.83 176.77 1mio h PHE 81 N -0.95 -0.02 -0.01 3.45 3.57 -1.41 -0.41 116.94 121.16 1mio h PHE 81 Ca -0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1mio h PHE 81 Cb 0.74 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1mio h PHE 81 CO 0.20 -0.29 0.00 0.66 -2.23 0.00 0.00 178.31 176.65 1mio n TYR 82 N -5.37 0.00 1.02 0.41 4.01 -0.84 -2.34 117.16 114.05 1mio n TYR 82 Ca 0.17 -0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.01 1mio n TYR 82 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.58 1mio n TYR 82 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1mio n THR 83 N -0.77 0.00 -2.11 -0.72 -2.24 -0.17 -4.61 114.28 103.64 1mio n THR 83 Ca 0.22 -0.07 -0.29 0.00 -2.27 0.00 0.00 64.05 61.64 1mio n THR 83 Cb 0.15 0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 69.24 1mio n THR 83 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1mio s TRP 84 N -2.85 1.97 0.00 4.78 -0.11 -0.99 -3.82 118.94 117.92 1mio s TRP 84 Ca 0.12 0.35 0.00 0.00 1.22 0.00 0.00 56.10 57.79 1mio s TRP 84 Cb 0.17 -4.10 0.00 0.00 -1.50 0.00 0.00 33.47 28.04 1mio s TRP 84 CO 0.75 -1.51 0.00 0.41 -4.62 0.00 0.00 176.95 171.98 1mio n GLY 85 N 6.30 0.52 0.50 5.86 0.00 -1.26 -4.97 105.19 112.15 1mio n GLY 85 Ca 0.42 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.25 1mio n GLY 85 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mio h GLY 86 N 0.00 -1.32 -6.28 -0.02 0.00 -1.82 -3.41 103.07 90.22 1mio h GLY 86 Ca 0.00 0.54 -0.60 0.00 0.00 0.00 0.00 47.33 47.27 1mio h GLY 86 CO 0.00 -0.44 -0.04 -1.60 0.00 0.00 0.00 176.54 174.46 1mio s ARG 87 N -5.81 4.18 -1.13 4.80 3.52 -1.26 -5.01 118.95 118.23 1mio s ARG 87 Ca -0.18 0.40 -0.10 0.00 -0.13 0.00 0.00 55.73 55.72 1mio s ARG 87 Cb 0.03 -3.57 0.25 0.00 -1.56 0.00 0.00 34.95 30.10 1mio s ARG 87 CO 0.58 -0.17 1.18 -0.98 -0.81 0.00 0.00 175.30 175.09 1mio s ARG 88 N 1.72 4.17 -0.11 5.12 1.70 -1.26 -4.97 118.95 125.32 1mio s ARG 88 Ca 0.24 -3.07 -0.10 0.00 -0.47 0.00 0.00 55.73 52.32 1mio s ARG 88 Cb -0.15 -4.66 -0.05 0.00 -0.57 0.00 0.00 34.95 29.52 1mio s ARG 88 CO 0.09 -1.35 0.22 -0.59 -1.08 0.00 0.00 175.30 172.59 1mio s PHE 89 N -0.64 3.58 -0.22 5.89 -0.12 -1.26 -1.26 117.98 123.95 1mio s PHE 89 Ca 0.33 0.61 -0.08 0.00 -0.05 0.00 0.00 56.93 57.74 1mio s PHE 89 Cb -0.08 -2.11 -0.04 0.00 -0.63 0.00 0.00 43.02 40.15 1mio s PHE 89 CO -0.06 0.57 0.08 0.15 -0.05 0.00 0.00 175.22 175.91 1mio s LYS 90 N -0.58 3.86 0.30 1.99 3.01 -0.50 -4.95 119.74 122.87 1mio s LYS 90 Ca 0.16 -0.39 0.10 0.00 -1.01 0.00 0.00 55.97 54.83 1mio s LYS 90 Cb -0.13 -3.31 -0.06 0.00 -1.01 0.00 0.00 37.83 33.33 1mio s LYS 90 CO 0.05 0.06 -0.14 -1.12 0.51 0.00 0.00 175.35 174.70 1mio s SER 91 N 0.98 3.50 -0.06 2.83 0.01 -1.26 -3.87 113.70 115.83 1mio s SER 91 Ca 0.04 -1.11 -0.06 0.00 1.31 0.00 0.00 55.95 56.14 1mio s SER 91 Cb -0.14 -0.30 0.02 0.00 0.21 0.00 0.00 66.02 65.81 1mio s SER 91 CO 0.03 -0.10 0.17 -1.59 0.41 0.00 0.00 173.24 172.16 1mio s LYS 92 N -3.58 0.19 0.64 12.44 -2.85 -1.26 -5.08 119.74 120.24 1mio s LYS 92 Ca 0.30 0.24 -0.18 0.00 -1.00 0.00 0.00 55.97 55.33 1mio s LYS 92 Cb -0.01 0.09 -0.02 0.00 -2.06 0.00 0.00 37.83 35.83 1mio s LYS 92 CO 0.15 -0.03 1.24 -0.35 0.10 0.00 0.00 175.35 176.46 1mio n PRO 93 N 3.02 1.10 -1.97 1.78 -0.04 -1.26 -4.81 135.00 132.83 1mio n PRO 93 Ca -0.13 0.43 -0.43 0.00 -0.04 0.00 0.00 63.50 63.33 1mio n PRO 93 Cb 0.59 -2.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.55 1mio n PRO 93 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1mio s GLU 94 N -3.24 3.82 -1.34 0.54 0.41 -1.17 -2.71 118.70 115.00 1mio s GLU 94 Ca 0.81 1.93 -0.12 0.00 -0.41 0.00 0.00 54.97 57.18 1mio s GLU 94 Cb -0.39 -4.09 0.01 0.00 -1.78 0.00 0.00 34.13 27.88 1mio s GLU 94 CO 0.42 -1.28 0.46 0.27 -0.49 0.00 0.00 175.26 174.63 1mio n ASN 95 N 8.53 -1.88 0.00 -0.19 2.04 -1.26 -2.60 115.26 119.90 1mio n ASN 95 Ca 0.20 -1.14 0.00 0.00 -0.44 0.00 0.00 54.58 53.20 1mio n ASN 95 Cb 0.44 -2.48 0.00 0.00 -2.53 0.00 0.00 39.78 35.21 1mio n ASN 95 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1mio n GLY 96 N -2.09 1.96 0.00 4.83 0.00 -1.10 -4.85 105.19 103.95 1mio n GLY 96 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1mio n GLY 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mio n THR 97 N -0.12 0.00 -0.12 2.61 -1.04 -1.07 -4.93 114.28 109.61 1mio n THR 97 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1mio n THR 97 Cb 0.00 -1.10 -0.01 0.00 -1.82 0.00 0.00 70.33 67.40 1mio n THR 97 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1mio n GLY 98 N 5.00 -2.05 3.95 3.41 0.00 -1.25 -3.03 105.19 111.23 1mio n GLY 98 Ca 0.00 -1.46 -0.23 0.00 0.00 0.00 0.00 46.02 44.33 1mio n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mio s LEU 99 N -5.12 4.20 -0.30 0.99 1.43 -1.26 -4.74 118.68 113.89 1mio s LEU 99 Ca 0.00 0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 53.22 1mio s LEU 99 Cb 0.00 -3.05 0.13 0.00 0.03 0.00 0.00 46.19 43.29 1mio s LEU 99 CO 0.00 -0.14 0.73 0.21 0.23 0.00 0.00 176.35 177.38 1mio s ASN 100 N -3.89 -0.99 0.00 2.29 2.47 -1.24 -4.43 114.94 109.16 1mio s ASN 100 Ca 0.37 1.40 0.00 0.00 0.42 0.00 0.00 52.86 55.05 1mio s ASN 100 Cb -0.09 1.97 0.00 0.00 -1.45 0.00 0.00 41.25 41.68 1mio s ASN 100 CO 0.31 -0.20 1.00 0.49 -3.72 0.00 0.00 177.10 174.98 1mio n PHE 101 N 5.07 0.00 0.21 0.43 3.72 -0.88 -4.83 117.46 121.19 1mio n PHE 101 Ca -0.13 -0.49 0.17 0.00 -0.05 0.00 0.00 57.45 56.94 1mio n PHE 101 Cb 0.52 -0.05 0.69 0.00 -0.94 0.00 0.00 39.48 39.70 1mio n PHE 101 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1mio h ASN 102 N 0.01 0.00 0.45 4.37 -0.26 -1.95 -1.97 115.58 116.23 1mio h ASN 102 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1mio h ASN 102 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.76 1mio h ASN 102 CO 0.00 0.00 -0.53 -0.62 -1.06 0.00 0.00 177.43 175.22 1mio n GLU 103 N -3.17 0.03 -4.40 0.81 1.02 -1.26 -4.67 120.64 109.00 1mio n GLU 103 Ca 0.03 -0.02 -0.21 0.00 -0.02 0.00 0.00 57.16 56.95 1mio n GLU 103 Cb 0.60 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.42 1mio n GLU 103 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1mio s TYR 104 N -2.98 1.94 -0.06 -0.32 1.51 -0.74 -5.01 117.35 111.68 1mio s TYR 104 Ca 0.11 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1mio s TYR 104 Cb 0.17 -0.95 0.02 0.00 -0.11 0.00 0.00 41.96 41.10 1mio s TYR 104 CO 0.71 0.43 -0.06 0.14 -1.11 0.00 0.00 175.55 175.66 1mio s VAL 105 N -2.86 0.73 -0.08 0.71 -7.23 -1.26 -5.01 120.40 105.41 1mio s VAL 105 Ca 0.26 -0.21 0.01 0.00 -1.81 0.00 0.00 61.98 60.24 1mio s VAL 105 Cb -0.00 -0.74 -0.03 0.00 0.56 0.00 0.00 36.38 36.17 1mio s VAL 105 CO 0.10 0.28 -0.10 -0.36 -0.31 0.00 0.00 175.10 174.71 1mio s PHE 106 N 1.05 2.83 0.31 2.82 0.08 -1.26 -5.05 117.98 118.77 1mio s PHE 106 Ca -0.08 -0.18 -0.04 0.00 0.12 0.00 0.00 56.93 56.74 1mio s PHE 106 Cb -0.14 -1.72 -0.00 0.00 -0.57 0.00 0.00 43.02 40.58 1mio s PHE 106 CO -0.00 0.16 0.45 0.45 -0.10 0.00 0.00 175.22 176.17 1mio s SER 107 N -0.49 0.65 0.00 1.36 0.15 -1.26 -1.69 113.70 112.41 1mio s SER 107 Ca 0.07 -1.37 0.01 0.00 0.70 0.00 0.00 55.95 55.36 1mio s SER 107 Cb -0.12 0.62 0.03 0.00 -1.71 0.00 0.00 66.02 64.84 1mio s SER 107 CO 0.02 -1.23 0.87 0.35 1.20 0.00 0.00 173.24 174.45 1mio n THR 108 N -0.50 0.67 -2.43 6.45 -2.24 -1.01 -4.85 114.28 110.35 1mio n THR 108 Ca 0.01 -0.83 -0.06 0.00 -2.27 0.00 0.00 64.05 60.89 1mio n THR 108 Cb 0.62 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1mio n THR 108 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1mio n ASP 109 N -0.22 -1.01 -4.76 3.42 2.03 -1.25 -4.74 116.55 110.02 1mio n ASP 109 Ca 0.01 -0.16 -0.39 0.00 0.52 0.00 0.00 54.79 54.78 1mio n ASP 109 Cb 0.19 -0.32 0.01 0.00 -0.72 0.00 0.00 41.12 40.28 1mio n ASP 109 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1mio s MET 110 N -2.05 3.71 0.38 -0.67 -1.94 -0.85 -4.90 119.30 112.98 1mio s MET 110 Ca 0.02 2.14 0.08 0.00 -1.71 0.00 0.00 55.69 56.22 1mio s MET 110 Cb -0.00 -2.57 -0.07 0.00 2.01 0.00 0.00 34.83 34.20 1mio s MET 110 CO 0.18 -0.70 -0.04 -0.65 -0.01 0.00 0.00 175.02 173.80 1mio s GLN 111 N -2.50 1.90 0.21 2.03 -1.52 -1.26 -4.49 119.66 114.01 1mio s GLN 111 Ca 0.62 -2.03 -0.10 0.00 -1.95 0.00 0.00 55.36 51.90 1mio s GLN 111 Cb -0.38 -1.67 0.24 0.00 -0.22 0.00 0.00 33.01 30.99 1mio s GLN 111 CO 0.47 0.04 1.78 1.49 -0.25 0.00 0.00 175.29 178.82 1mio h GLU 112 N 1.89 0.53 0.00 2.91 4.81 -1.99 -1.16 114.58 121.57 1mio h GLU 112 Ca -0.43 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1mio h GLU 112 Cb 1.24 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 1mio h GLU 112 CO 0.76 0.35 -0.01 0.77 -0.73 0.00 0.00 179.01 180.15 1mio h SER 113 N 0.55 0.00 1.58 1.04 0.02 -1.98 -0.64 113.55 114.12 1mio h SER 113 Ca 0.29 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.17 1mio h SER 113 Cb 0.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1mio h SER 113 CO -0.23 0.01 -0.42 0.44 -1.14 0.00 0.00 176.83 175.49 1mio h ASP 114 N 0.00 0.00 1.31 3.07 3.32 -1.33 0.20 116.42 122.99 1mio h ASP 114 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1mio h ASP 114 Cb 0.04 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1mio h ASP 114 CO 0.00 0.34 -0.72 0.40 -1.72 0.00 0.00 179.24 177.55 1mio h ILE 115 N 0.00 0.77 0.00 0.35 1.08 -0.77 -2.31 117.51 116.63 1mio h ILE 115 Ca -0.01 -2.15 -0.35 0.00 -0.39 0.00 0.00 64.86 61.96 1mio h ILE 115 Cb 1.27 2.32 -0.07 0.00 -3.07 0.00 0.00 36.82 37.27 1mio h ILE 115 CO 0.04 0.44 -2.31 1.33 -0.69 0.00 0.00 178.15 176.96 1mio n VAL 116 N -3.14 1.31 -3.64 1.67 0.24 -0.83 -4.59 118.33 109.34 1mio n VAL 116 Ca -0.01 -0.79 -0.28 0.00 -2.04 0.00 0.00 64.34 61.22 1mio n VAL 116 Cb 0.75 -0.53 -0.11 0.00 -1.47 0.00 0.00 33.84 32.48 1mio n VAL 116 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1mio s PHE 117 N -2.46 2.12 -0.20 6.34 0.08 0.68 -5.09 117.98 119.45 1mio s PHE 117 Ca -0.10 -2.67 -0.18 0.00 0.12 0.00 0.00 56.93 54.09 1mio s PHE 117 Cb 0.06 -1.75 -0.08 0.00 -0.57 0.00 0.00 43.02 40.68 1mio s PHE 117 CO 0.77 -0.72 0.64 0.41 -0.10 0.00 0.00 175.22 176.21 1mio n GLY 118 N 2.76 0.07 3.34 4.36 0.00 -0.91 -3.84 105.19 110.96 1mio n GLY 118 Ca 0.21 0.40 -0.36 0.00 0.00 0.00 0.00 46.02 46.26 1mio n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mio n GLY 119 N 1.63 1.89 0.05 -0.02 0.00 -0.96 -4.57 105.19 103.21 1mio n GLY 119 Ca 0.13 -1.02 0.03 0.00 0.00 0.00 0.00 46.02 45.15 1mio n GLY 119 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1mio n VAL 120 N 6.83 0.63 0.04 1.61 0.24 -1.26 -3.69 118.33 122.73 1mio n VAL 120 Ca 0.47 -0.65 -0.07 0.00 -2.04 0.00 0.00 64.34 62.06 1mio n VAL 120 Cb 0.43 -0.25 -0.12 0.00 -1.47 0.00 0.00 33.84 32.44 1mio n VAL 120 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 1mio h ASN 121 N 0.00 0.00 0.40 -1.34 -1.24 -1.97 -2.25 115.58 109.17 1mio h ASN 121 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.80 1mio h ASN 121 Cb 1.50 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.55 1mio h ASN 121 CO 0.02 0.98 0.00 0.50 -1.29 0.00 0.00 177.43 177.64 1mio h LYS 122 N 0.00 0.00 0.00 6.67 3.64 -1.92 0.69 116.57 125.64 1mio h LYS 122 Ca -0.08 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1mio h LYS 122 Cb 1.82 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.62 1mio h LYS 122 CO 0.11 0.00 -0.55 1.25 -2.27 0.00 0.00 179.45 177.99 1mio h LEU 123 N 0.00 0.00 -0.48 5.20 5.85 -1.63 -2.22 115.31 122.04 1mio h LEU 123 Ca 0.00 -0.60 0.09 0.00 0.84 0.00 0.00 57.88 58.21 1mio h LEU 123 Cb 0.20 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.13 1mio h LEU 123 CO 0.00 1.12 -0.27 0.50 -0.34 0.00 0.00 178.44 179.45 1mio h LYS 124 N -1.00 -0.16 0.68 1.25 1.63 -0.41 0.41 116.57 118.97 1mio h LYS 124 Ca -0.14 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.64 1mio h LYS 124 Cb 0.97 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.64 1mio h LYS 124 CO -0.08 -0.11 -0.36 -0.44 -3.45 0.00 0.00 179.45 175.01 1mio h ASP 125 N -0.17 -0.87 -0.57 4.20 3.32 0.12 -1.12 116.42 121.34 1mio h ASP 125 Ca 0.21 0.04 0.16 0.00 0.02 0.00 0.00 57.03 57.46 1mio h ASP 125 Cb 0.51 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1mio h ASP 125 CO -0.57 -0.58 0.44 0.00 -1.72 0.00 0.00 179.24 176.80 1mio h ALA 126 N -1.48 2.48 0.30 3.45 0.00 -0.82 0.54 119.26 123.74 1mio h ALA 126 Ca -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1mio h ALA 126 Cb 0.74 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1mio h ALA 126 CO 0.13 -0.73 -0.14 0.82 0.00 0.00 0.00 179.25 179.33 1mio h ILE 127 N 0.00 0.50 -0.97 0.00 2.04 -0.09 -1.40 117.51 117.60 1mio h ILE 127 Ca 0.27 -0.80 0.05 0.00 1.00 0.00 0.00 64.86 65.37 1mio h ILE 127 Cb 1.14 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 1mio h ILE 127 CO -0.00 0.12 0.63 0.45 0.00 0.00 0.00 178.15 179.34 1mio h HIS 128 N -0.95 1.17 -0.10 1.37 3.86 0.02 -2.44 115.15 118.08 1mio h HIS 128 Ca -0.04 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1mio h HIS 128 Cb 0.50 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1mio h HIS 128 CO 0.04 0.65 -0.03 0.93 0.86 0.00 0.00 177.93 180.38 1mio h GLU 129 N 1.19 -0.01 -0.47 2.45 5.08 -0.96 -1.27 114.58 120.58 1mio h GLU 129 Ca 0.39 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 1mio h GLU 129 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1mio h GLU 129 CO -0.13 -0.01 0.26 0.00 -1.00 0.00 0.00 179.01 178.13 1mio h ALA 130 N 1.09 1.58 -0.11 3.43 0.00 -0.99 -2.34 119.26 121.92 1mio h ALA 130 Ca 0.05 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 1mio h ALA 130 Cb 0.09 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1mio h ALA 130 CO -0.11 0.36 -0.84 -0.92 0.00 0.00 0.00 179.25 177.74 1mio h TYR 131 N 0.64 1.01 -0.10 0.00 3.20 -1.19 -2.17 116.97 118.36 1mio h TYR 131 Ca 0.17 -0.47 -0.14 0.00 3.14 0.00 0.00 58.73 61.42 1mio h TYR 131 Cb 0.02 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1mio h TYR 131 CO 0.00 1.30 -0.57 0.93 -1.64 0.00 0.00 178.16 178.19 1mio h GLU 132 N 0.48 0.31 0.04 1.82 4.39 -0.97 -3.30 114.58 117.35 1mio h GLU 132 Ca -0.07 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 1mio h GLU 132 Cb 1.47 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 1mio h GLU 132 CO 0.17 0.79 -0.02 1.98 -1.16 0.00 0.00 179.01 180.77 1mio h MET 133 N 0.24 -0.05 -5.57 2.33 4.05 -1.52 -3.44 114.93 110.98 1mio h MET 133 Ca 0.00 0.00 -0.65 0.00 -0.28 0.00 0.00 59.70 58.77 1mio h MET 133 Cb 1.06 0.01 -0.20 0.00 -0.80 0.00 0.00 31.60 31.67 1mio h MET 133 CO 0.09 0.08 -0.67 -0.06 0.23 0.00 0.00 176.91 176.58 1mio s PHE 134 N -1.80 3.02 -0.73 1.39 0.08 -0.82 -5.04 117.98 114.08 1mio s PHE 134 Ca -0.03 -0.17 -0.06 0.00 0.12 0.00 0.00 56.93 56.79 1mio s PHE 134 Cb -0.00 -1.88 0.19 0.00 -0.57 0.00 0.00 43.02 40.76 1mio s PHE 134 CO 0.10 0.11 0.59 -1.01 -0.10 0.00 0.00 175.22 174.90 1mio s HIS 135 N -0.06 3.57 0.61 0.36 3.76 -1.24 -3.85 115.29 118.45 1mio s HIS 135 Ca 0.01 -2.56 -0.04 0.00 -0.15 0.00 0.00 55.06 52.33 1mio s HIS 135 Cb -0.13 -3.39 0.13 0.00 1.11 0.00 0.00 32.58 30.30 1mio s HIS 135 CO 0.03 -0.87 0.84 -0.35 -0.85 0.00 0.00 174.74 173.53 1mio n PRO 136 N 3.45 -0.28 -0.04 8.40 -0.05 -1.26 -5.02 135.00 140.21 1mio n PRO 136 Ca 0.12 -1.90 -0.14 0.00 -0.05 0.00 0.00 63.50 61.53 1mio n PRO 136 Cb 0.40 -0.68 -0.09 0.00 -0.05 0.00 0.00 33.50 33.09 1mio n PRO 136 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1mio h ALA 137 N -0.99 0.12 -2.85 0.55 0.00 -1.51 -3.47 119.26 111.11 1mio h ALA 137 Ca -0.27 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 54.07 1mio h ALA 137 Cb 0.92 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 1mio h ALA 137 CO 0.26 0.05 -0.22 0.00 0.00 0.00 0.00 179.25 179.34 1mio s ALA 138 N -3.89 0.49 -0.03 0.00 0.00 -1.25 -4.35 121.76 112.73 1mio s ALA 138 Ca -0.15 -1.33 0.07 0.00 0.00 0.00 0.00 51.96 50.54 1mio s ALA 138 Cb 0.03 1.15 -0.02 0.00 0.00 0.00 0.00 23.12 24.29 1mio s ALA 138 CO 0.74 -0.79 -0.23 0.42 0.00 0.00 0.00 175.76 175.91 1mio s ILE 139 N -3.49 1.81 -0.16 0.00 1.01 -0.31 -2.93 121.20 117.12 1mio s ILE 139 Ca 0.29 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.98 1mio s ILE 139 Cb 0.00 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.97 1mio s ILE 139 CO 0.16 0.51 -0.16 -0.83 0.00 0.00 0.00 174.94 174.61 1mio s GLY 140 N -0.43 1.45 -0.21 6.18 0.00 -0.19 -0.26 107.32 113.87 1mio s GLY 140 Ca 0.06 -1.08 -0.15 0.00 0.00 0.00 0.00 44.72 43.55 1mio s GLY 140 CO 0.00 0.06 0.36 0.14 0.00 0.00 0.00 173.10 173.66 1mio s VAL 141 N 0.89 5.23 -0.05 1.40 1.01 0.14 -0.32 120.40 128.71 1mio s VAL 141 Ca -0.04 0.63 0.06 0.00 0.00 0.00 0.00 61.98 62.62 1mio s VAL 141 Cb -0.15 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1mio s VAL 141 CO -0.02 0.27 -0.21 -0.31 0.00 0.00 0.00 175.10 174.83 1mio s TYR 142 N 1.24 2.50 -0.00 5.22 1.51 -0.16 -0.77 117.35 126.89 1mio s TYR 142 Ca 0.17 -0.45 -0.14 0.00 -1.01 0.00 0.00 57.07 55.64 1mio s TYR 142 Cb -0.14 -1.59 -0.06 0.00 -0.11 0.00 0.00 41.96 40.06 1mio s TYR 142 CO 0.07 -0.03 0.40 0.00 -1.11 0.00 0.00 175.55 174.88 1mio s ALA 143 N -0.46 3.70 0.22 3.71 0.00 0.22 -0.80 121.76 128.35 1mio s ALA 143 Ca 0.05 -0.23 0.09 0.00 0.00 0.00 0.00 51.96 51.87 1mio s ALA 143 Cb -0.12 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 1mio s ALA 143 CO 0.01 0.49 -0.06 0.99 0.00 0.00 0.00 175.76 177.19 1mio s THR 144 N -1.09 3.27 0.16 0.00 2.01 -1.15 -3.25 115.64 115.58 1mio s THR 144 Ca 0.24 -1.80 -0.08 0.00 0.31 0.00 0.00 61.69 60.37 1mio s THR 144 Cb -0.17 -2.68 0.22 0.00 0.01 0.00 0.00 72.50 69.89 1mio s THR 144 CO 0.13 -0.23 0.96 0.00 -0.69 0.00 0.00 174.62 174.79 1mio h PRO 146 N 0.00 0.00 -0.14 0.00 0.13 -1.97 -3.34 132.00 126.69 1mio h PRO 146 Ca 0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.38 1mio h PRO 146 Cb 0.41 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 1mio h PRO 146 CO -0.62 0.00 0.07 0.28 -0.23 0.00 0.00 178.00 177.49 1mio h VAL 147 N 0.00 1.11 0.54 1.56 2.07 -1.66 -0.77 116.25 119.10 1mio h VAL 147 Ca 0.00 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1mio h VAL 147 Cb 0.49 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1mio h VAL 147 CO 0.00 0.10 -0.48 1.23 0.02 0.00 0.00 177.57 178.44 1mio h GLY 148 N 0.10 -1.20 0.94 2.17 0.00 -1.74 -1.31 103.07 102.04 1mio h GLY 148 Ca 0.05 0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.91 1mio h GLY 148 CO -0.01 -0.38 0.16 1.41 0.00 0.00 0.00 176.54 177.72 1mio h LEU 149 N -1.01 0.42 0.00 3.11 3.38 -1.70 -2.45 115.31 117.05 1mio h LEU 149 Ca -0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1mio h LEU 149 Cb 0.86 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1mio h LEU 149 CO -0.03 0.42 0.00 2.30 0.09 0.00 0.00 178.44 181.22 1mio n ILE 150 N -4.77 0.00 -0.99 1.22 -5.35 -0.30 -4.84 119.36 104.34 1mio n ILE 150 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1mio n ILE 150 Cb 0.10 -0.55 0.00 0.00 -1.74 0.00 0.00 39.64 37.45 1mio n ILE 150 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mio n GLY 151 N 0.07 0.49 3.67 3.28 0.00 -0.89 -4.59 105.19 107.22 1mio n GLY 151 Ca 0.08 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1mio n GLY 151 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mio s ASP 152 N -2.16 6.73 -1.14 1.61 1.11 -0.55 -4.89 116.67 117.39 1mio s ASP 152 Ca 0.00 2.14 -0.14 0.00 0.18 0.00 0.00 52.55 54.74 1mio s ASP 152 Cb 0.00 -2.54 0.18 0.00 1.07 0.00 0.00 42.92 41.63 1mio s ASP 152 CO 0.00 -0.87 1.31 -0.62 1.18 0.00 0.00 175.17 176.17 1mio s ASP 153 N 2.88 7.03 0.26 0.27 2.15 -1.26 -4.66 116.67 123.33 1mio s ASP 153 Ca 0.69 -2.94 0.18 0.00 0.43 0.00 0.00 52.55 50.91 1mio s ASP 153 Cb -0.32 -2.36 0.95 0.00 -0.30 0.00 0.00 42.92 40.89 1mio s ASP 153 CO 0.27 -0.71 1.55 2.30 -0.17 0.00 0.00 175.17 178.41 1mio n ILE 154 N 4.42 1.18 0.02 4.11 -6.64 -1.26 -1.94 119.36 119.25 1mio n ILE 154 Ca 0.32 0.65 -0.19 0.00 -1.77 0.00 0.00 62.75 61.75 1mio n ILE 154 Cb 0.43 -1.64 -0.10 0.00 -1.44 0.00 0.00 39.64 36.90 1mio n ILE 154 CO 0.00 0.00 0.00 0.25 -1.77 0.00 0.00 176.55 175.03 1mio h LEU 155 N 0.00 0.92 -0.08 7.28 5.85 -1.93 -2.53 115.31 124.83 1mio h LEU 155 Ca 0.00 -0.71 -0.12 0.00 0.84 0.00 0.00 57.88 57.90 1mio h LEU 155 Cb 0.04 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 40.79 1mio h LEU 155 CO 0.00 1.49 -0.41 0.00 -0.34 0.00 0.00 178.44 179.19 1mio h ALA 156 N 0.44 0.15 -0.37 1.25 0.00 -1.81 -3.07 119.26 115.86 1mio h ALA 156 Ca -0.11 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.38 1mio h ALA 156 Cb 1.60 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 1mio h ALA 156 CO 0.19 0.27 0.08 -0.39 0.00 0.00 0.00 179.25 179.40 1mio h VAL 157 N -0.05 0.83 0.00 0.00 -1.51 -1.61 -0.34 116.25 113.57 1mio h VAL 157 Ca -0.03 -0.07 -0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1mio h VAL 157 Cb 1.06 0.60 -0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1mio h VAL 157 CO 0.08 0.04 -0.01 0.00 -1.23 0.00 0.00 177.57 176.45 1mio h ALA 158 N 1.27 1.71 -0.07 5.19 0.00 -1.41 -1.90 119.26 124.06 1mio h ALA 158 Ca 0.17 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 1mio h ALA 158 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1mio h ALA 158 CO -0.22 0.01 -0.81 0.00 0.00 0.00 0.00 179.25 178.23 1mio h ALA 159 N 1.99 0.46 0.10 0.00 0.00 -0.98 0.20 119.26 121.04 1mio h ALA 159 Ca -0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1mio h ALA 159 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1mio h ALA 159 CO 0.00 0.76 -0.05 1.15 0.00 0.00 0.00 179.25 181.11 1mio h THR 160 N 0.32 1.10 -0.59 0.00 2.02 -1.19 -3.25 112.91 111.32 1mio h THR 160 Ca -0.05 -1.21 0.11 0.00 0.77 0.00 0.00 66.41 66.02 1mio h THR 160 Cb 1.42 1.81 -0.11 0.00 -1.74 0.00 0.00 68.15 69.52 1mio h THR 160 CO 0.15 0.27 -0.28 0.00 0.37 0.00 0.00 175.52 176.03 1mio h ALA 161 N -0.01 0.09 -0.74 6.16 0.00 -1.34 0.73 119.26 124.14 1mio h ALA 161 Ca -0.01 0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.20 1mio h ALA 161 Cb 0.56 0.69 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1mio h ALA 161 CO 0.02 -0.60 0.34 1.03 0.00 0.00 0.00 179.25 180.04 1mio h SER 162 N -0.12 0.40 0.79 0.00 0.87 -0.68 -0.76 113.55 114.05 1mio h SER 162 Ca 0.25 0.08 -0.23 0.00 -1.23 0.00 0.00 61.79 60.67 1mio h SER 162 Cb 0.53 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1mio h SER 162 CO -0.66 0.20 -1.04 0.11 -0.53 0.00 0.00 176.83 174.91 1mio h LYS 163 N 0.55 0.13 0.09 2.24 1.57 -0.95 0.23 116.57 120.43 1mio h LYS 163 Ca 0.38 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.83 1mio h LYS 163 Cb 0.49 0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.88 1mio h LYS 163 CO -0.33 1.05 -0.62 0.93 -0.57 0.00 0.00 179.45 179.91 1mio h GLU 164 N 0.05 0.26 0.00 3.15 5.08 -0.81 -3.35 114.58 118.94 1mio h GLU 164 Ca -0.06 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 57.83 1mio h GLU 164 Cb 1.76 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.15 1mio h GLU 164 CO 0.15 1.17 -0.34 0.82 -1.00 0.00 0.00 179.01 179.81 1mio h ILE 165 N -0.45 0.64 -5.95 3.13 5.03 -1.21 -3.49 117.51 115.22 1mio h ILE 165 Ca -0.10 -1.66 -0.21 0.00 -0.12 0.00 0.00 64.86 62.77 1mio h ILE 165 Cb 1.46 2.13 0.01 0.00 -3.03 0.00 0.00 36.82 37.39 1mio h ILE 165 CO 0.12 0.33 -0.82 0.61 -0.68 0.00 0.00 178.15 177.71 1mio n GLY 166 N 0.81 -0.67 3.63 5.37 0.00 0.80 -5.04 105.19 110.09 1mio n GLY 166 Ca 0.02 1.11 -0.04 0.00 0.00 0.00 0.00 46.02 47.10 1mio n GLY 166 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1mio s ILE 167 N -2.18 0.00 0.12 -0.61 1.10 -1.24 -5.09 121.20 113.29 1mio s ILE 167 Ca 0.27 0.00 -0.31 0.00 -0.51 0.00 0.00 60.65 60.10 1mio s ILE 167 Cb -0.05 -1.00 -0.10 0.00 0.15 0.00 0.00 42.46 41.47 1mio s ILE 167 CO 0.82 0.00 1.72 -2.84 -2.11 0.00 0.00 174.94 172.53 1mio s PRO 168 N -0.87 4.17 -0.31 3.50 0.02 -1.26 -4.56 135.00 135.69 1mio s PRO 168 Ca 0.06 2.47 0.01 0.00 0.02 0.00 0.00 61.00 63.56 1mio s PRO 168 Cb -0.01 -3.47 0.07 0.00 0.02 0.00 0.00 34.50 31.10 1mio s PRO 168 CO -0.06 -0.76 -0.00 0.08 -0.33 0.00 0.00 177.00 175.92 1mio s VAL 169 N 2.30 2.58 -0.30 3.83 1.01 -1.26 -1.17 120.40 127.38 1mio s VAL 169 Ca 0.76 -1.78 -0.14 0.00 0.00 0.00 0.00 61.98 60.82 1mio s VAL 169 Cb -0.44 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1mio s VAL 169 CO 0.34 -0.27 0.32 -1.00 0.00 0.00 0.00 175.10 174.49 1mio s HIS 170 N 1.10 3.23 -0.02 5.22 3.76 0.63 -4.72 115.29 124.49 1mio s HIS 170 Ca -0.01 0.15 -0.19 0.00 -0.15 0.00 0.00 55.06 54.85 1mio s HIS 170 Cb -0.20 -2.56 -0.05 0.00 1.11 0.00 0.00 32.58 30.88 1mio s HIS 170 CO -0.04 -0.30 0.55 0.00 -0.85 0.00 0.00 174.74 174.10 1mio s ALA 171 N 1.96 3.51 -0.15 -1.40 0.00 -1.26 -0.68 121.76 123.74 1mio s ALA 171 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 1mio s ALA 171 Cb -0.16 -2.68 0.04 0.00 0.00 0.00 0.00 23.12 20.32 1mio s ALA 171 CO 0.11 0.18 -0.05 -0.06 0.00 0.00 0.00 175.76 175.94 1mio s PHE 172 N -0.17 1.56 -0.65 0.00 0.40 0.05 -4.95 117.98 114.21 1mio s PHE 172 Ca 0.29 -0.95 -0.22 0.00 -0.60 0.00 0.00 56.93 55.45 1mio s PHE 172 Cb -0.17 -1.25 0.07 0.00 0.51 0.00 0.00 43.02 42.18 1mio s PHE 172 CO 0.15 -0.58 0.93 -1.12 0.70 0.00 0.00 175.22 175.31 1mio s SER 173 N 1.68 6.17 -0.35 1.36 0.01 -1.26 -0.61 113.70 120.70 1mio s SER 173 Ca 0.02 -1.04 0.13 0.00 1.31 0.00 0.00 55.95 56.37 1mio s SER 173 Cb -0.15 -2.40 0.45 0.00 0.21 0.00 0.00 66.02 64.13 1mio s SER 173 CO -0.08 -1.40 1.03 0.00 0.41 0.00 0.00 173.24 173.20 1mio s GLU 175 N -3.36 4.19 0.43 0.00 8.01 -1.20 -1.18 118.70 125.58 1mio s GLU 175 Ca 0.36 2.44 0.15 0.00 0.01 0.00 0.00 54.97 57.93 1mio s GLU 175 Cb 0.42 -3.12 0.83 0.00 -4.31 0.00 0.00 34.13 27.95 1mio s GLU 175 CO -0.05 -0.65 1.38 0.78 0.01 0.00 0.00 175.26 176.74 1mio h GLY 176 N 6.67 0.00 -2.18 -1.39 0.00 -1.85 -1.51 103.07 102.81 1mio h GLY 176 Ca -0.43 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1mio h GLY 176 CO 0.92 0.00 0.04 1.58 0.00 0.00 0.00 176.54 179.08 1mio n TYR 177 N -2.26 0.93 -4.19 5.60 0.18 -1.26 -3.42 117.16 112.74 1mio n TYR 177 Ca -0.01 -0.42 -0.32 0.00 1.88 0.00 0.00 57.90 59.03 1mio n TYR 177 Cb 0.41 -0.31 -0.08 0.00 -0.38 0.00 0.00 39.34 38.98 1mio n TYR 177 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1mio s LYS 178 N -1.66 2.86 6.42 -3.48 1.02 -0.57 -4.96 119.74 119.37 1mio s LYS 178 Ca 0.23 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.62 1mio s LYS 178 Cb 0.18 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 1mio s LYS 178 CO 0.06 0.62 0.00 0.41 -0.92 0.00 0.00 175.35 175.52 1mio n GLY 179 N 1.16 2.38 0.00 -3.33 0.00 -1.26 -3.88 105.19 100.25 1mio n GLY 179 Ca -0.13 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1mio n GLY 179 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1mio n VAL 180 N 0.00 0.00 -3.84 1.61 0.24 -1.26 -4.76 118.33 110.31 1mio n VAL 180 Ca 0.00 -0.11 -0.01 0.00 -2.04 0.00 0.00 64.34 62.18 1mio n VAL 180 Cb 0.00 1.21 0.01 0.00 -1.47 0.00 0.00 33.84 33.59 1mio n VAL 180 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1mio s SER 181 N -0.16 -0.03 0.00 -1.34 1.04 -1.26 -4.62 113.70 107.33 1mio s SER 181 Ca 0.00 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.07 1mio s SER 181 Cb 0.00 0.33 0.16 0.00 0.10 0.00 0.00 66.02 66.61 1mio s SER 181 CO 0.00 -0.64 0.97 0.00 0.98 0.00 0.00 173.24 174.55 1mio n GLN 182 N -0.69 0.04 0.21 4.02 0.00 -1.22 -2.83 117.38 116.92 1mio n GLN 182 Ca -0.03 0.30 0.05 0.00 0.00 0.00 0.00 57.00 57.33 1mio n GLN 182 Cb 0.60 -1.50 0.48 0.00 0.00 0.00 0.00 30.24 29.82 1mio n GLN 182 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1mio h SER 183 N 0.00 0.00 0.22 2.61 0.87 -1.89 -2.17 113.55 113.19 1mio h SER 183 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 1mio h SER 183 Cb 0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1mio h SER 183 CO 0.00 0.25 -0.38 0.00 -0.53 0.00 0.00 176.83 176.17 1mio h ALA 184 N 1.75 1.16 -0.13 6.23 0.00 -1.78 -3.10 119.26 123.40 1mio h ALA 184 Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 1mio h ALA 184 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1mio h ALA 184 CO 0.03 0.56 -0.45 0.78 0.00 0.00 0.00 179.25 180.17 1mio h GLY 185 N 1.17 0.36 0.81 0.00 0.00 -1.48 -2.36 103.07 101.57 1mio h GLY 185 Ca 0.02 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1mio h GLY 185 CO 0.06 0.33 -0.10 0.45 0.00 0.00 0.00 176.54 177.28 1mio h HIS 186 N 0.27 0.49 0.29 5.60 3.86 -1.48 -2.22 115.15 121.96 1mio h HIS 186 Ca 0.02 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1mio h HIS 186 Cb 0.90 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 1mio h HIS 186 CO 0.02 0.72 -0.24 1.25 0.86 0.00 0.00 177.93 180.54 1mio h HIS 187 N 0.13 -0.62 -0.62 2.45 6.17 -1.56 -0.30 115.15 120.79 1mio h HIS 187 Ca 0.05 0.00 0.11 0.00 0.71 0.00 0.00 60.37 61.23 1mio h HIS 187 Cb 0.59 0.24 -0.08 0.00 2.52 0.00 0.00 27.41 30.67 1mio h HIS 187 CO 0.06 -0.35 0.21 0.82 0.71 0.00 0.00 177.93 179.38 1mio h ILE 188 N -0.54 0.72 -0.24 6.26 2.04 -1.37 -2.88 117.51 121.50 1mio h ILE 188 Ca -0.02 -0.13 -0.17 0.00 1.00 0.00 0.00 64.86 65.54 1mio h ILE 188 Cb 0.48 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1mio h ILE 188 CO -0.02 0.07 -0.53 0.00 0.00 0.00 0.00 178.15 177.67 1mio h ALA 189 N 1.45 0.39 -0.35 1.87 0.00 -1.26 -3.16 119.26 118.21 1mio h ALA 189 Ca 0.32 -0.51 0.10 0.00 0.00 0.00 0.00 54.91 54.83 1mio h ALA 189 Cb 0.44 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1mio h ALA 189 CO -0.35 0.59 0.26 -0.91 0.00 0.00 0.00 179.25 178.85 1mio h ASN 190 N 0.54 0.00 0.16 0.00 2.35 -0.93 -2.78 115.58 114.92 1mio h ASN 190 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1mio h ASN 190 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.51 1mio h ASN 190 CO 0.12 0.00 -0.08 0.78 -1.65 0.00 0.00 177.43 176.60 1mio h ASN 191 N 0.00 -0.18 -0.71 5.81 4.21 -1.47 -2.64 115.58 120.60 1mio h ASN 191 Ca 0.16 -0.34 0.03 0.00 1.21 0.00 0.00 56.30 57.36 1mio h ASN 191 Cb 0.69 0.05 -0.04 0.00 -1.12 0.00 0.00 38.32 37.89 1mio h ASN 191 CO -0.00 0.38 0.45 0.74 -1.29 0.00 0.00 177.43 177.70 1mio h THR 192 N -0.89 1.10 0.14 2.81 2.02 -1.62 -1.16 112.91 115.31 1mio h THR 192 Ca -0.02 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1mio h THR 192 Cb 0.51 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1mio h THR 192 CO 0.04 0.16 -0.26 0.58 0.37 0.00 0.00 175.52 176.40 1mio h VAL 193 N 0.87 0.00 -0.72 3.16 2.07 -1.62 0.87 116.25 120.88 1mio h VAL 193 Ca 0.28 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.93 1mio h VAL 193 Cb 0.02 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.66 1mio h VAL 193 CO -0.11 0.00 -0.33 -0.03 0.02 0.00 0.00 177.57 177.12 1mio h MET 194 N -0.43 -0.09 0.00 1.57 -1.53 -1.23 0.21 114.93 113.43 1mio h MET 194 Ca -0.02 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.25 1mio h MET 194 Cb 0.41 0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.48 1mio h MET 194 CO -0.10 -0.06 0.00 2.41 0.14 0.00 0.00 176.91 179.30 1mio n THR 195 N -5.46 0.00 -0.53 -0.77 -1.04 -0.46 -4.10 114.28 101.93 1mio n THR 195 Ca 0.07 0.81 -0.03 0.00 -2.04 0.00 0.00 64.05 62.86 1mio n THR 195 Cb 0.37 -1.57 0.25 0.00 -1.82 0.00 0.00 70.33 67.56 1mio n THR 195 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1mio n ASP 196 N -0.95 4.23 0.00 8.00 5.75 0.29 -4.30 116.55 129.57 1mio n ASP 196 Ca 0.00 -2.89 0.00 0.00 -0.01 0.00 0.00 54.79 51.89 1mio n ASP 196 Cb 0.00 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.41 1mio n ASP 196 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1mio n ILE 197 N 0.03 0.00 -2.07 2.12 -6.64 0.70 -4.95 119.36 108.54 1mio n ILE 197 Ca 0.30 0.00 -0.41 0.00 -1.77 0.00 0.00 62.75 60.87 1mio n ILE 197 Cb 1.12 -0.23 -0.02 0.00 -1.44 0.00 0.00 39.64 39.07 1mio n ILE 197 CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 1mio s ILE 198 N -1.43 2.71 0.00 7.28 1.01 -0.87 -2.70 121.20 127.20 1mio s ILE 198 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 60.65 61.31 1mio s ILE 198 Cb 0.00 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1mio s ILE 198 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 1mio n GLY 199 N 1.41 3.10 3.74 6.18 0.00 0.11 -4.83 105.19 114.89 1mio n GLY 199 Ca 0.03 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 1mio n GLY 199 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mio s LYS 200 N 0.00 4.35 0.00 1.61 -0.14 -1.10 -4.84 119.74 119.62 1mio s LYS 200 Ca 0.00 2.12 0.00 0.00 -1.36 0.00 0.00 55.97 56.73 1mio s LYS 200 Cb 0.00 -3.17 0.00 0.00 -1.68 0.00 0.00 37.83 32.98 1mio s LYS 200 CO 0.00 -0.30 0.00 0.41 -0.76 0.00 0.00 175.35 174.70 1mio n GLY 201 N 2.35 2.81 0.46 -3.33 0.00 -1.26 -4.23 105.19 101.99 1mio n GLY 201 Ca 0.06 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1mio n GLY 201 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mio n ASN 202 N 0.00 1.76 -2.75 1.61 5.15 -1.26 -5.03 115.26 114.73 1mio n ASN 202 Ca 0.00 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.71 1mio n ASN 202 Cb 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.16 1mio n ASN 202 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1mio n LYS 203 N -2.40 0.00 -1.80 1.20 0.00 -1.26 -4.85 118.16 109.05 1mio n LYS 203 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 58.31 57.95 1mio n LYS 203 Cb 0.33 -0.93 0.06 0.00 0.00 0.00 0.00 35.03 34.49 1mio n LYS 203 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1mio s GLU 204 N 5.22 2.67 0.56 1.64 4.04 -1.26 -4.90 118.70 126.67 1mio s GLU 204 Ca 0.82 1.87 -0.17 0.00 0.04 0.00 0.00 54.97 57.53 1mio s GLU 204 Cb -0.80 -1.88 -0.05 0.00 0.02 0.00 0.00 34.13 31.41 1mio s GLU 204 CO 0.32 -1.46 1.04 -1.14 -1.84 0.00 0.00 175.26 172.18 1mio s GLN 205 N -3.50 3.55 0.46 -4.83 0.74 -1.26 -5.09 119.66 109.74 1mio s GLN 205 Ca 0.78 1.17 0.07 0.00 0.05 0.00 0.00 55.36 57.43 1mio s GLN 205 Cb -0.32 -2.07 -0.01 0.00 1.10 0.00 0.00 33.01 31.72 1mio s GLN 205 CO 0.38 -0.61 0.35 0.15 -0.55 0.00 0.00 175.29 175.01 1mio s LYS 206 N -3.93 2.37 0.38 1.67 1.02 -1.26 -5.10 119.74 114.89 1mio s LYS 206 Ca 0.63 -1.76 -0.25 0.00 0.02 0.00 0.00 55.97 54.61 1mio s LYS 206 Cb -0.15 -2.21 -0.09 0.00 -0.52 0.00 0.00 37.83 34.86 1mio s LYS 206 CO 0.33 -0.33 1.05 0.15 -0.92 0.00 0.00 175.35 175.63 1mio s LYS 207 N -4.14 4.25 -1.55 1.68 1.02 -1.26 -3.28 119.74 116.45 1mio s LYS 207 Ca 0.43 1.55 0.00 0.00 0.02 0.00 0.00 55.97 57.97 1mio s LYS 207 Cb -0.01 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1mio s LYS 207 CO 0.25 -0.08 0.00 0.66 -0.92 0.00 0.00 175.35 175.26 1mio n TYR 208 N 0.14 -0.85 -2.19 3.18 4.01 -1.26 -4.14 117.16 116.05 1mio n TYR 208 Ca 0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 1mio n TYR 208 Cb 0.49 -3.57 -0.03 0.00 -0.31 0.00 0.00 39.34 35.92 1mio n TYR 208 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1mio s SER 209 N -2.19 6.82 0.13 7.72 0.01 -1.21 -0.92 113.70 124.07 1mio s SER 209 Ca 0.00 2.15 0.10 0.00 1.31 0.00 0.00 55.95 59.51 1mio s SER 209 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 1mio s SER 209 CO 0.00 -0.74 -0.21 -0.51 0.41 0.00 0.00 173.24 172.19 1mio s ILE 210 N 2.47 2.63 -0.05 1.44 1.10 0.43 -1.59 121.20 127.63 1mio s ILE 210 Ca 0.65 -1.66 0.04 0.00 -0.51 0.00 0.00 60.65 59.18 1mio s ILE 210 Cb -0.32 -2.21 -0.00 0.00 0.15 0.00 0.00 42.46 40.07 1mio s ILE 210 CO 0.27 0.06 -0.19 0.20 -2.11 0.00 0.00 174.94 173.17 1mio s ASN 211 N -2.23 2.36 -0.28 4.50 0.01 -1.15 -0.35 114.94 117.79 1mio s ASN 211 Ca 0.18 -0.39 -0.13 0.00 -0.71 0.00 0.00 52.86 51.80 1mio s ASN 211 Cb -0.10 -0.74 -0.04 0.00 0.41 0.00 0.00 41.25 40.78 1mio s ASN 211 CO 0.09 0.16 0.27 -0.69 -1.51 0.00 0.00 177.10 175.42 1mio s VAL 212 N 0.09 5.25 -0.17 1.60 1.01 0.25 -1.51 120.40 126.92 1mio s VAL 212 Ca -0.06 0.29 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 1mio s VAL 212 Cb -0.13 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1mio s VAL 212 CO 0.03 0.18 0.11 -0.76 0.00 0.00 0.00 175.10 174.66 1mio s LEU 213 N 1.89 4.11 -0.21 3.92 1.43 -0.82 0.11 118.68 129.10 1mio s LEU 213 Ca 0.10 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1mio s LEU 213 Cb -0.16 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 1mio s LEU 213 CO 0.11 0.23 0.18 0.61 0.23 0.00 0.00 176.35 177.71 1mio n GLY 214 N 3.16 0.44 2.63 -3.19 0.00 -1.13 -1.31 105.19 105.79 1mio n GLY 214 Ca -0.17 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.60 0.23 -0.02 1.61 2.56 -0.55 -2.55 118.70 116.38 1mio s GLU 215 Ca 0.06 -0.35 0.04 0.00 0.00 0.00 0.00 54.97 54.72 1mio s GLU 215 Cb -0.01 -1.01 0.13 0.00 2.00 0.00 0.00 34.13 35.25 1mio s GLU 215 CO 0.14 -1.00 0.96 0.66 -0.56 0.00 0.00 175.26 175.47 1mio n TYR 216 N 5.28 0.26 -3.87 5.30 4.01 -1.26 -3.73 117.16 123.15 1mio n TYR 216 Ca -0.05 -0.11 -0.32 0.00 -0.16 0.00 0.00 57.90 57.27 1mio n TYR 216 Cb 0.44 -0.07 0.01 0.00 -0.31 0.00 0.00 39.34 39.41 1mio n TYR 216 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1mio n ASN 217 N -0.02 -4.69 -4.73 7.72 5.15 -1.26 -3.60 115.26 113.83 1mio n ASN 217 Ca 0.05 -1.06 -0.40 0.00 -0.60 0.00 0.00 54.58 52.57 1mio n ASN 217 Cb 0.23 -1.78 -0.05 0.00 -0.53 0.00 0.00 39.78 37.66 1mio n ASN 217 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1mio s ILE 218 N -3.17 4.95 -1.49 -1.44 1.09 -1.26 -1.41 121.20 118.47 1mio s ILE 218 Ca 0.17 1.45 -0.12 0.00 -1.10 0.00 0.00 60.65 61.06 1mio s ILE 218 Cb -0.09 -4.04 0.07 0.00 -1.06 0.00 0.00 42.46 37.34 1mio s ILE 218 CO 0.92 0.31 0.87 0.61 -0.10 0.00 0.00 174.94 177.55 1mio n GLY 219 N 2.82 -0.50 2.94 6.18 0.00 -0.39 -2.44 105.19 113.81 1mio n GLY 219 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1mio n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mio n GLY 220 N -1.61 2.88 0.19 -0.02 0.00 -1.25 -2.84 105.19 102.55 1mio n GLY 220 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 1mio n GLY 220 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mio n ASP 221 N 0.00 -0.22 -0.16 1.61 8.00 -1.02 -0.78 116.55 123.97 1mio n ASP 221 Ca 0.00 0.89 -0.09 0.00 0.71 0.00 0.00 54.79 56.29 1mio n ASP 221 Cb 0.00 -0.25 0.04 0.00 -0.02 0.00 0.00 41.12 40.89 1mio n ASP 221 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mio h ALA 222 N 0.94 0.81 -0.18 2.24 0.00 -1.88 -2.27 119.26 118.92 1mio h ALA 222 Ca 0.23 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1mio h ALA 222 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1mio h ALA 222 CO -0.52 0.66 0.13 -1.49 0.00 0.00 0.00 179.25 178.03 1mio h TRP 223 N 0.87 0.00 -0.09 0.00 6.55 -1.37 -0.52 115.95 121.38 1mio h TRP 223 Ca 0.14 0.00 -0.24 0.00 0.95 0.00 0.00 58.89 59.73 1mio h TRP 223 Cb 0.67 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 28.98 1mio h TRP 223 CO 0.04 0.00 -0.89 1.49 -1.05 0.00 0.00 178.44 178.04 1mio h GLU 224 N 0.00 0.77 0.19 0.49 4.57 -1.32 -0.71 114.58 118.56 1mio h GLU 224 Ca 0.09 -0.70 -0.01 0.00 -1.18 0.00 0.00 59.36 57.56 1mio h GLU 224 Cb 0.35 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1mio h GLU 224 CO -0.00 1.29 -0.09 0.52 -1.18 0.00 0.00 179.01 179.55 1mio h MET 225 N 0.49 -0.24 -0.04 1.92 2.86 -0.60 -3.08 114.93 116.24 1mio h MET 225 Ca -0.08 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1mio h MET 225 Cb 1.53 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 33.24 1mio h MET 225 CO 0.18 0.15 0.04 0.22 1.06 0.00 0.00 176.91 178.55 1mio h ASP 226 N -0.73 0.00 -0.16 1.22 3.58 -1.32 0.62 116.42 119.63 1mio h ASP 226 Ca -0.03 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.47 1mio h ASP 226 Cb 0.50 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.50 1mio h ASP 226 CO 0.04 0.00 -0.17 -0.09 -2.88 0.00 0.00 179.24 176.15 1mio h ARG 227 N 0.00 -0.19 0.00 0.28 2.43 -1.03 -1.33 114.38 114.54 1mio h ARG 227 Ca 0.02 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 1mio h ARG 227 Cb 0.09 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1mio h ARG 227 CO -0.00 -0.12 -0.48 0.28 -1.51 0.00 0.00 179.97 178.13 1mio h VAL 228 N -0.19 1.28 0.10 0.20 2.07 -0.90 -2.81 116.25 116.00 1mio h VAL 228 Ca 0.11 -1.69 -0.32 0.00 0.82 0.00 0.00 66.70 65.61 1mio h VAL 228 Cb 0.35 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1mio h VAL 228 CO -0.27 0.47 -1.70 -0.07 0.02 0.00 0.00 177.57 176.02 1mio h LEU 229 N 0.00 0.32 -0.83 2.57 3.38 -1.32 -2.97 115.31 116.46 1mio h LEU 229 Ca -0.00 -0.55 0.12 0.00 0.09 0.00 0.00 57.88 57.54 1mio h LEU 229 Cb 0.89 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 1mio h LEU 229 CO 0.06 1.47 0.45 -0.08 0.09 0.00 0.00 178.44 180.43 1mio h GLU 230 N 0.06 0.68 0.00 1.13 4.57 -1.26 0.65 114.58 120.40 1mio h GLU 230 Ca -0.30 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 1mio h GLU 230 Cb 2.02 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.46 1mio h GLU 230 CO 0.12 0.45 0.07 0.87 -1.18 0.00 0.00 179.01 179.34 1mio h LYS 231 N 0.70 0.00 0.00 1.92 1.79 -1.49 -2.95 116.57 116.54 1mio h LYS 231 Ca 0.42 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.65 1mio h LYS 231 Cb 0.50 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.10 1mio h LYS 231 CO -0.30 0.00 -2.09 -0.89 -1.08 0.00 0.00 179.45 175.09 1mio n ILE 232 N -2.77 0.94 0.00 1.86 5.41 0.17 -4.96 119.36 120.01 1mio n ILE 232 Ca -0.02 -0.65 0.00 0.00 1.00 0.00 0.00 62.75 63.07 1mio n ILE 232 Cb 0.13 -0.44 0.00 0.00 -0.71 0.00 0.00 39.64 38.62 1mio n ILE 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1mio n GLY 233 N 1.88 1.58 3.83 7.39 0.00 -0.92 -4.91 105.19 114.05 1mio n GLY 233 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1mio n GLY 233 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mio s TYR 234 N -1.98 3.54 -0.60 1.61 2.02 -1.14 -4.74 117.35 116.06 1mio s TYR 234 Ca 0.00 1.24 -0.10 0.00 -0.37 0.00 0.00 57.07 57.84 1mio s TYR 234 Cb 0.00 -2.52 0.15 0.00 -0.40 0.00 0.00 41.96 39.19 1mio s TYR 234 CO 0.00 0.27 0.49 -1.58 -1.57 0.00 0.00 175.55 173.16 1mio s HIS 235 N -1.67 3.49 -0.46 2.71 5.65 -0.10 -4.29 115.29 120.63 1mio s HIS 235 Ca 0.46 -2.02 -0.29 0.00 0.25 0.00 0.00 55.06 53.46 1mio s HIS 235 Cb -0.14 -3.55 0.02 0.00 -1.18 0.00 0.00 32.58 27.73 1mio s HIS 235 CO 0.20 -0.96 1.26 0.54 -0.65 0.00 0.00 174.74 175.12 1mio s VAL 236 N 0.79 4.06 0.06 0.89 0.11 -1.26 -0.43 120.40 124.62 1mio s VAL 236 Ca 0.11 1.07 -0.19 0.00 -2.93 0.00 0.00 61.98 60.04 1mio s VAL 236 Cb -0.21 -4.44 -0.12 0.00 -1.53 0.00 0.00 36.38 30.08 1mio s VAL 236 CO -0.03 -0.92 1.40 -1.13 -3.33 0.00 0.00 175.10 171.09 1mio h ASN 237 N 9.92 0.48 -3.16 3.54 -0.00 -0.99 -3.47 115.58 121.90 1mio h ASN 237 Ca -0.25 -0.45 -0.12 0.00 -0.00 0.00 0.00 56.30 55.49 1mio h ASN 237 Cb 1.08 -0.13 -0.27 0.00 -0.00 0.00 0.00 38.32 39.00 1mio h ASN 237 CO 1.11 0.83 -0.31 0.00 -0.00 0.00 0.00 177.43 179.06 1mio s ALA 238 N -4.44 -1.04 -0.11 1.57 0.00 -1.25 -4.95 121.76 111.53 1mio s ALA 238 Ca -0.14 1.51 -0.21 0.00 0.00 0.00 0.00 51.96 53.13 1mio s ALA 238 Cb 0.06 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1mio s ALA 238 CO 0.77 -0.31 0.60 0.99 0.00 0.00 0.00 175.76 177.81 1mio s THR 239 N 1.51 5.10 -0.75 0.00 2.01 -1.26 -0.59 115.64 121.66 1mio s THR 239 Ca -0.09 1.21 -0.18 0.00 0.31 0.00 0.00 61.69 62.94 1mio s THR 239 Cb -0.09 -3.94 0.14 0.00 0.01 0.00 0.00 72.50 68.62 1mio s THR 239 CO -0.13 0.26 0.85 -0.76 -0.69 0.00 0.00 174.62 174.16 1mio s LEU 240 N 0.91 5.57 0.00 4.42 1.02 0.12 -4.73 118.68 125.99 1mio s LEU 240 Ca 0.31 -1.89 0.00 0.00 0.02 0.00 0.00 54.13 52.58 1mio s LEU 240 Cb -0.16 -2.31 0.00 0.00 0.02 0.00 0.00 46.19 43.73 1mio s LEU 240 CO 0.14 -0.99 0.00 0.35 0.02 0.00 0.00 176.35 175.87 1mio n THR 241 N 5.18 0.00 0.00 5.49 -2.24 -1.26 -1.48 114.28 119.97 1mio n THR 241 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1mio n THR 241 Cb 0.46 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1mio n THR 241 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mio n GLY 242 N 0.00 1.89 2.59 3.38 0.00 -1.24 -2.95 105.19 108.87 1mio n GLY 242 Ca 0.00 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1mio n GLY 242 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mio n ASP 243 N 4.55 3.63 -4.77 1.61 2.03 -1.25 -4.26 116.55 118.09 1mio n ASP 243 Ca 0.00 -3.44 -0.36 0.00 0.52 0.00 0.00 54.79 51.51 1mio n ASP 243 Cb 0.00 -0.51 -0.08 0.00 -0.72 0.00 0.00 41.12 39.81 1mio n ASP 243 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mio s ALA 244 N -3.34 3.66 0.38 -1.67 0.00 -1.15 -4.94 121.76 114.70 1mio s ALA 244 Ca 0.43 -0.70 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 1mio s ALA 244 Cb 0.38 -1.93 -0.09 0.00 0.00 0.00 0.00 23.12 21.48 1mio s ALA 244 CO -0.12 0.43 0.80 0.99 0.00 0.00 0.00 175.76 177.86 1mio s THR 245 N -0.42 4.64 0.34 0.00 2.01 -1.26 -1.99 115.64 118.96 1mio s THR 245 Ca 0.11 0.98 0.04 0.00 0.31 0.00 0.00 61.69 63.13 1mio s THR 245 Cb -0.12 -3.65 0.17 0.00 0.01 0.00 0.00 72.50 68.92 1mio s THR 245 CO 0.02 -0.33 1.89 0.22 -0.69 0.00 0.00 174.62 175.73 1mio h TYR 246 N 1.84 0.57 0.00 4.92 3.20 -1.94 -1.16 116.97 124.40 1mio h TYR 246 Ca -0.48 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.31 1mio h TYR 246 Cb 1.18 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 1mio h TYR 246 CO 0.62 0.52 -0.15 0.93 -1.64 0.00 0.00 178.16 178.45 1mio h GLU 247 N 0.54 0.00 0.02 1.82 3.07 -1.98 -1.02 114.58 117.03 1mio h GLU 247 Ca 0.12 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.68 1mio h GLU 247 Cb 0.28 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.14 1mio h GLU 247 CO 0.00 0.15 -1.73 -0.22 -1.40 0.00 0.00 179.01 175.81 1mio h LYS 248 N 0.00 0.05 0.20 2.33 3.64 -1.61 -3.15 116.57 118.03 1mio h LYS 248 Ca -0.00 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1mio h LYS 248 Cb 0.59 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1mio h LYS 248 CO 0.02 0.63 -0.10 0.28 -2.27 0.00 0.00 179.45 178.02 1mio h VAL 249 N 0.01 0.89 -1.01 2.00 2.07 -1.18 -3.11 116.25 115.92 1mio h VAL 249 Ca -0.30 -0.64 0.37 0.00 0.82 0.00 0.00 66.70 66.95 1mio h VAL 249 Cb 2.01 1.26 -0.16 0.00 -1.52 0.00 0.00 31.29 32.88 1mio h VAL 249 CO 0.08 0.14 0.57 1.56 0.02 0.00 0.00 177.57 179.94 1mio h GLN 250 N -0.60 0.16 -0.91 1.57 4.20 -1.30 0.58 115.11 118.81 1mio h GLN 250 Ca -0.03 -0.01 -0.62 0.00 0.06 0.00 0.00 58.65 58.05 1mio h GLN 250 Cb 0.44 -0.04 -0.33 0.00 0.30 0.00 0.00 27.48 27.86 1mio h GLN 250 CO 0.05 0.10 0.36 0.09 -0.67 0.00 0.00 178.83 178.76 1mio n ASN 251 N -5.14 6.65 0.00 1.46 3.02 -1.18 -0.71 115.26 119.36 1mio n ASN 251 Ca 0.35 -3.77 0.12 0.00 -0.03 0.00 0.00 54.58 51.24 1mio n ASN 251 Cb 1.15 -0.78 0.69 0.00 -0.61 0.00 0.00 39.78 40.22 1mio n ASN 251 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mio n ALA 252 N -0.87 2.35 0.39 5.41 0.00 0.19 -2.59 120.51 125.39 1mio n ALA 252 Ca 0.57 -0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.95 1mio n ALA 252 Cb 0.79 -1.39 0.25 0.00 0.00 0.00 0.00 19.45 19.10 1mio n ALA 252 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1mio n ASP 253 N -1.06 2.80 -3.41 0.00 5.75 -1.26 -4.37 116.55 115.00 1mio n ASP 253 Ca 0.17 -1.97 -0.40 0.00 -0.01 0.00 0.00 54.79 52.57 1mio n ASP 253 Cb 0.10 -0.32 0.02 0.00 -1.03 0.00 0.00 41.12 39.89 1mio n ASP 253 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1mio n LYS 254 N 1.03 4.61 -0.99 0.11 4.01 -1.07 -4.86 118.16 121.01 1mio n LYS 254 Ca 0.18 -4.23 0.00 0.00 -0.51 0.00 0.00 58.31 53.75 1mio n LYS 254 Cb 0.45 -2.42 0.00 0.00 -0.51 0.00 0.00 35.03 32.55 1mio n LYS 254 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1mio n ALA 255 N -0.04 0.00 0.00 7.82 0.00 -1.26 -4.57 120.51 122.45 1mio n ALA 255 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1mio n ALA 255 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1mio n ALA 255 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1mio n ASP 256 N -1.29 0.00 -4.13 0.00 9.92 -0.62 -4.87 116.55 115.56 1mio n ASP 256 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.12 1mio n ASP 256 Cb 0.00 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 1mio n ASP 256 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1mio s LEU 257 N -3.01 2.34 -0.07 0.64 1.43 -1.25 -4.42 118.68 114.34 1mio s LEU 257 Ca 0.00 -0.70 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 1mio s LEU 257 Cb 0.00 -0.25 -0.03 0.00 0.03 0.00 0.00 46.19 45.95 1mio s LEU 257 CO 0.00 -0.24 -0.12 0.20 0.23 0.00 0.00 176.35 176.42 1mio s ASN 258 N -2.08 4.23 -0.56 2.29 0.01 -0.82 -2.94 114.94 115.08 1mio s ASN 258 Ca -0.01 -0.16 0.02 0.00 -0.71 0.00 0.00 52.86 52.00 1mio s ASN 258 Cb -0.06 -1.06 0.14 0.00 0.41 0.00 0.00 41.25 40.69 1mio s ASN 258 CO -0.00 0.32 0.32 -0.76 -1.51 0.00 0.00 177.10 175.48 1mio s LEU 259 N -0.59 4.62 -0.27 0.60 1.02 -0.57 -1.89 118.68 121.60 1mio s LEU 259 Ca 0.09 -2.98 -0.29 0.00 0.02 0.00 0.00 54.13 50.97 1mio s LEU 259 Cb -0.11 -1.71 -0.03 0.00 0.02 0.00 0.00 46.19 44.36 1mio s LEU 259 CO 0.01 -0.27 1.80 -0.69 0.02 0.00 0.00 176.35 177.22 1mio s VAL 260 N -0.24 3.46 -0.16 -1.59 1.01 -0.85 -1.95 120.40 120.09 1mio s VAL 260 Ca 0.17 0.49 -0.14 0.00 0.00 0.00 0.00 61.98 62.51 1mio s VAL 260 Cb -0.24 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 1mio s VAL 260 CO -0.01 -0.32 0.02 -0.61 0.00 0.00 0.00 175.10 174.18 1mio h GLN 261 N 12.42 0.00 -4.82 2.72 5.75 -1.37 0.14 115.11 129.94 1mio h GLN 261 Ca -0.35 0.00 -0.69 0.00 -0.15 0.00 0.00 58.65 57.46 1mio h GLN 261 Cb 1.17 0.00 -0.19 0.00 1.07 0.00 0.00 27.48 29.54 1mio h GLN 261 CO 1.01 0.40 -0.26 0.00 -2.65 0.00 0.00 178.83 177.33 1mio h HIS 263 N 8.66 0.94 0.00 0.00 2.76 -1.91 -3.25 115.15 122.35 1mio h HIS 263 Ca -0.27 -0.42 -0.03 0.00 -2.20 0.00 0.00 60.37 57.45 1mio h HIS 263 Cb 1.12 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.93 1mio h HIS 263 CO 0.62 1.23 -0.16 -0.09 -1.30 0.00 0.00 177.93 178.24 1mio h ARG 264 N 0.48 0.00 0.00 5.26 9.65 -1.93 -2.76 114.38 125.08 1mio h ARG 264 Ca -0.05 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 1mio h ARG 264 Cb 1.39 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.96 1mio h ARG 264 CO 0.15 0.16 -1.96 -1.13 2.80 0.00 0.00 179.97 179.99 1mio n SER 265 N -3.65 0.07 0.00 -3.80 3.41 -1.25 -4.74 113.62 103.66 1mio n SER 265 Ca -0.01 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1mio n SER 265 Cb 0.28 1.80 0.00 0.00 -0.26 0.00 0.00 64.21 66.03 1mio n SER 265 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mio n ILE 266 N -2.33 0.46 0.30 -1.33 0.13 -1.20 -4.73 119.36 110.65 1mio n ILE 266 Ca -0.06 -0.56 0.17 0.00 -1.10 0.00 0.00 62.75 61.20 1mio n ILE 266 Cb 0.62 0.87 0.94 0.00 -0.84 0.00 0.00 39.64 41.23 1mio n ILE 266 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1mio h ASN 267 N 0.00 0.00 -0.25 9.51 -1.07 -1.72 -1.15 115.58 120.89 1mio h ASN 267 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.24 1mio h ASN 267 Cb 0.52 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.77 1mio h ASN 267 CO 0.00 0.03 -0.37 1.88 0.07 0.00 0.00 177.43 179.05 1mio h TYR 268 N 0.00 0.86 -0.00 4.14 -1.99 -1.87 -1.14 116.97 116.96 1mio h TYR 268 Ca -0.00 -0.29 -0.03 0.00 2.00 0.00 0.00 58.73 60.41 1mio h TYR 268 Cb 0.13 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 38.69 1mio h TYR 268 CO 0.00 1.05 -0.12 0.82 -0.00 0.00 0.00 178.16 179.91 1mio h ILE 269 N 0.42 1.58 -0.97 -2.88 2.04 -1.75 -1.97 117.51 113.99 1mio h ILE 269 Ca 0.03 -1.88 0.28 0.00 1.00 0.00 0.00 64.86 64.29 1mio h ILE 269 Cb 0.96 2.80 -0.18 0.00 -0.74 0.00 0.00 36.82 39.66 1mio h ILE 269 CO 0.09 0.50 0.09 0.00 0.00 0.00 0.00 178.15 178.83 1mio h ALA 270 N 0.25 1.26 -0.01 1.87 0.00 -1.21 -0.48 119.26 120.93 1mio h ALA 270 Ca -0.01 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1mio h ALA 270 Cb 0.89 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1mio h ALA 270 CO 0.02 -0.59 -0.02 0.93 0.00 0.00 0.00 179.25 179.60 1mio h GLU 271 N 0.03 0.04 0.00 0.00 5.08 -1.27 -3.13 114.58 115.33 1mio h GLU 271 Ca 0.61 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.92 1mio h GLU 271 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1mio h GLU 271 CO -0.87 0.53 -0.15 0.52 -1.00 0.00 0.00 179.01 178.04 1mio h MET 272 N -0.46 0.00 0.08 2.33 2.86 -0.51 -3.01 114.93 116.23 1mio h MET 272 Ca 0.00 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.36 1mio h MET 272 Cb 0.52 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.21 1mio h MET 272 CO 0.00 0.15 -1.15 0.52 1.06 0.00 0.00 176.91 177.50 1mio h MET 273 N 0.00 0.64 -0.60 1.72 2.86 -1.20 -1.08 114.93 117.27 1mio h MET 273 Ca -0.00 -0.79 0.08 0.00 -2.06 0.00 0.00 59.70 56.92 1mio h MET 273 Cb 0.51 0.25 -0.06 0.00 0.06 0.00 0.00 31.60 32.36 1mio h MET 273 CO 0.02 1.35 0.26 1.49 1.06 0.00 0.00 176.91 181.10 1mio h GLU 274 N 0.28 0.46 0.15 1.72 4.81 -1.49 -0.27 114.58 120.25 1mio h GLU 274 Ca -0.17 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1mio h GLU 274 Cb 1.82 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.10 1mio h GLU 274 CO 0.22 0.31 -0.07 1.15 -0.73 0.00 0.00 179.01 179.89 1mio h THR 275 N 0.48 0.98 -0.23 0.32 2.02 -1.49 0.11 112.91 115.11 1mio h THR 275 Ca 0.29 -0.99 -0.18 0.00 0.77 0.00 0.00 66.41 66.29 1mio h THR 275 Cb 0.29 1.55 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1mio h THR 275 CO -0.25 0.22 -0.59 0.50 0.37 0.00 0.00 175.52 175.77 1mio h LYS 276 N -0.71 0.73 0.00 6.66 3.64 -1.18 -3.30 116.57 122.41 1mio h LYS 276 Ca -0.02 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1mio h LYS 276 Cb 0.51 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1mio h LYS 276 CO 0.03 1.11 -0.51 0.66 -2.27 0.00 0.00 179.45 178.47 1mio n TYR 277 N -3.97 0.00 -1.25 1.91 4.01 -0.15 -0.57 117.16 117.15 1mio n TYR 277 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1mio n TYR 277 Cb 0.64 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 1mio n TYR 277 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1mio n GLY 278 N 1.61 0.72 3.34 2.72 0.00 0.39 -1.12 105.19 112.84 1mio n GLY 278 Ca 0.00 -0.71 -0.46 0.00 0.00 0.00 0.00 46.02 44.85 1mio n GLY 278 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mio s ILE 279 N -2.00 5.34 0.46 -0.61 1.01 -1.20 -3.43 121.20 120.77 1mio s ILE 279 Ca 0.00 -1.95 -0.24 0.00 0.00 0.00 0.00 60.65 58.46 1mio s ILE 279 Cb 0.00 -4.45 -0.07 0.00 0.01 0.00 0.00 42.46 37.94 1mio s ILE 279 CO 0.00 -1.03 1.27 -2.16 0.00 0.00 0.00 174.94 173.03 1mio s PRO 280 N 1.05 3.68 0.21 2.79 0.04 -1.26 -3.15 135.00 138.35 1mio s PRO 280 Ca 0.14 2.06 0.06 0.00 0.04 0.00 0.00 61.00 63.29 1mio s PRO 280 Cb -0.17 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 1mio s PRO 280 CO -0.04 -0.70 0.19 1.67 0.04 0.00 0.00 177.00 178.17 1mio s TRP 281 N -1.36 3.19 0.10 0.56 1.48 -1.26 -1.95 118.94 119.69 1mio s TRP 281 Ca 0.63 -0.05 0.08 0.00 -1.06 0.00 0.00 56.10 55.70 1mio s TRP 281 Cb -0.36 -1.48 -0.03 0.00 -1.16 0.00 0.00 33.47 30.44 1mio s TRP 281 CO 0.44 0.51 -0.20 0.42 -4.06 0.00 0.00 176.95 174.06 1mio s ILE 282 N -1.93 1.65 -0.12 0.66 -1.09 -0.79 -0.29 121.20 119.28 1mio s ILE 282 Ca 0.32 -1.52 -0.17 0.00 -2.23 0.00 0.00 60.65 57.05 1mio s ILE 282 Cb -0.09 -1.51 -0.04 0.00 -1.58 0.00 0.00 42.46 39.24 1mio s ILE 282 CO 0.25 -0.08 0.42 -0.75 -1.23 0.00 0.00 174.94 173.54 1mio s LYS 283 N -1.90 4.28 0.21 2.79 2.47 -1.03 -2.00 119.74 124.56 1mio s LYS 283 Ca 0.06 0.34 0.09 0.00 -1.56 0.00 0.00 55.97 54.90 1mio s LYS 283 Cb -0.10 -3.41 -0.05 0.00 -1.46 0.00 0.00 37.83 32.81 1mio s LYS 283 CO 0.04 0.23 -0.16 0.00 0.16 0.00 0.00 175.35 175.61 1mio s ASN 285 N -3.20 1.34 -0.34 0.00 2.47 -1.26 -4.20 114.94 109.74 1mio s ASN 285 Ca 0.22 -0.51 0.06 0.00 0.42 0.00 0.00 52.86 53.05 1mio s ASN 285 Cb -0.03 0.62 0.64 0.00 -1.45 0.00 0.00 41.25 41.03 1mio s ASN 285 CO 0.08 -0.36 1.76 0.49 -3.72 0.00 0.00 177.10 175.35 1mio n PHE 286 N 5.32 2.48 -4.47 0.43 3.72 -1.26 -2.66 117.46 121.02 1mio n PHE 286 Ca -0.03 -1.38 -0.32 0.00 -0.05 0.00 0.00 57.45 55.68 1mio n PHE 286 Cb 0.48 -0.75 -0.16 0.00 -0.94 0.00 0.00 39.48 38.10 1mio n PHE 286 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1mio s ILE 287 N -2.83 1.89 0.00 4.37 1.01 -1.26 -0.87 121.20 123.51 1mio s ILE 287 Ca 0.50 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1mio s ILE 287 Cb 0.41 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 41.18 1mio s ILE 287 CO 0.11 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.18 1mio n GLY 288 N 4.26 -0.90 0.10 6.18 0.00 -1.26 -4.35 105.19 109.20 1mio n GLY 288 Ca -0.20 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 1mio n GLY 288 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1mio h VAL 289 N 0.00 1.06 -0.45 1.61 2.07 -1.92 -2.39 116.25 116.23 1mio h VAL 289 Ca 0.00 -0.59 0.08 0.00 0.82 0.00 0.00 66.70 67.00 1mio h VAL 289 Cb 0.00 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 1mio h VAL 289 CO 0.00 0.14 0.06 0.44 0.02 0.00 0.00 177.57 178.24 1mio h ASP 290 N -0.41 -0.05 -0.38 0.57 3.32 -1.90 0.34 116.42 117.90 1mio h ASP 290 Ca -0.01 0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.18 1mio h ASP 290 Cb 0.34 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.96 1mio h ASP 290 CO 0.02 0.01 0.05 1.23 -1.72 0.00 0.00 179.24 178.82 1mio h GLY 291 N 0.19 0.42 0.77 2.75 0.00 -1.74 -1.04 103.07 104.41 1mio h GLY 291 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 1mio h GLY 291 CO -0.31 -0.06 0.00 -2.22 0.00 0.00 0.00 176.54 173.96 1mio h ILE 292 N 0.16 1.20 -0.50 2.60 2.04 -0.59 -0.60 117.51 121.82 1mio h ILE 292 Ca 0.18 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 1mio h ILE 292 Cb 0.23 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1mio h ILE 292 CO -0.27 0.15 0.14 -0.37 0.00 0.00 0.00 178.15 177.80 1mio h VAL 293 N -0.21 1.21 -0.18 1.67 -1.51 0.60 -2.00 116.25 115.84 1mio h VAL 293 Ca 0.01 -0.74 -0.04 0.00 -1.23 0.00 0.00 66.70 64.70 1mio h VAL 293 Cb 0.25 0.68 -0.01 0.00 -2.13 0.00 0.00 31.29 30.08 1mio h VAL 293 CO 0.00 0.28 -0.02 -0.33 -1.23 0.00 0.00 177.57 176.26 1mio h GLU 294 N 0.74 0.34 -0.83 5.19 5.08 -1.13 -1.19 114.58 122.78 1mio h GLU 294 Ca 0.17 -0.12 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 1mio h GLU 294 Cb 0.25 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 1mio h GLU 294 CO -0.01 0.58 0.54 1.15 -1.00 0.00 0.00 179.01 180.27 1mio h THR 295 N 0.07 1.00 -0.12 1.13 2.02 -0.38 0.86 112.91 117.48 1mio h THR 295 Ca 0.05 -0.29 -0.18 0.00 0.77 0.00 0.00 66.41 66.76 1mio h THR 295 Cb 0.44 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1mio h THR 295 CO 0.01 0.15 -0.62 -0.07 0.37 0.00 0.00 175.52 175.37 1mio h LEU 296 N 0.85 0.75 -0.55 2.58 -0.00 -1.02 -2.56 115.31 115.35 1mio h LEU 296 Ca 0.37 -0.64 -0.13 0.00 -0.00 0.00 0.00 57.88 57.48 1mio h LEU 296 Cb 0.33 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.75 1mio h LEU 296 CO -0.14 1.27 -0.27 0.03 -0.00 0.00 0.00 178.44 179.33 1mio h ARG 297 N 0.28 0.88 0.14 1.13 3.08 -0.50 -2.63 114.38 116.76 1mio h ARG 297 Ca -0.04 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 1mio h ARG 297 Cb 1.26 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1mio h ARG 297 CO 0.13 1.04 -0.07 -0.44 -1.07 0.00 0.00 179.97 179.56 1mio h ASP 298 N 0.75 -0.16 0.39 7.04 3.32 -0.77 -1.88 116.42 125.11 1mio h ASP 298 Ca 0.09 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 1mio h ASP 298 Cb 0.83 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1mio h ASP 298 CO 0.07 -0.08 -0.41 0.00 -1.72 0.00 0.00 179.24 177.10 1mio h MET 299 N -0.23 0.02 0.00 3.56 -0.00 -1.53 -1.89 114.93 114.86 1mio h MET 299 Ca -0.02 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.70 59.62 1mio h MET 299 Cb 0.18 -0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.77 1mio h MET 299 CO 0.03 0.42 -0.26 0.00 -0.00 0.00 0.00 176.91 177.10 1mio h ALA 300 N 1.58 1.19 0.04 -3.00 0.00 -1.25 -1.05 119.26 116.78 1mio h ALA 300 Ca -0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 1mio h ALA 300 Cb 0.73 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1mio h ALA 300 CO 0.05 0.33 -1.04 0.87 0.00 0.00 0.00 179.25 179.47 1mio h LYS 301 N 0.00 0.14 -0.27 0.00 1.57 -0.58 -3.31 116.57 114.12 1mio h LYS 301 Ca -0.00 -0.21 -0.17 0.00 -1.87 0.00 0.00 60.65 58.40 1mio h LYS 301 Cb 0.62 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1mio h LYS 301 CO 0.03 1.05 -0.52 0.00 -0.57 0.00 0.00 179.45 179.44 1mio s PHE 303 N -4.13 3.55 -0.01 0.00 0.08 -0.43 -4.98 117.98 112.07 1mio s PHE 303 Ca -0.10 1.35 0.11 0.00 0.12 0.00 0.00 56.93 58.41 1mio s PHE 303 Cb 0.11 -2.75 -0.15 0.00 -0.57 0.00 0.00 43.02 39.66 1mio s PHE 303 CO 0.87 -0.64 1.11 -0.44 -0.10 0.00 0.00 175.22 176.03 1mio h ASP 304 N -0.01 0.00 -4.02 1.36 5.19 -1.82 -3.45 116.42 113.67 1mio h ASP 304 Ca -0.45 0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.27 1mio h ASP 304 Cb 1.19 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.47 1mio h ASP 304 CO 0.62 0.84 -0.79 1.51 -3.12 0.00 0.00 179.24 178.29 1mio s ASP 305 N -6.39 3.89 0.59 6.45 -4.77 -1.26 -5.02 116.67 110.15 1mio s ASP 305 Ca -0.00 -0.31 0.35 0.00 -3.30 0.00 0.00 52.55 49.29 1mio s ASP 305 Cb 0.09 -0.72 1.81 0.00 -1.09 0.00 0.00 42.92 43.01 1mio s ASP 305 CO 0.80 0.30 2.18 1.55 0.70 0.00 0.00 175.17 180.70 1mio h PRO 306 N 4.94 0.00 0.05 2.11 0.13 -1.95 0.27 132.00 137.55 1mio h PRO 306 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1mio h PRO 306 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1mio h PRO 306 CO 0.49 0.04 -0.02 1.49 -0.23 0.00 0.00 178.00 179.77 1mio h GLU 307 N 0.00 -0.06 -0.08 0.86 4.57 -1.98 0.15 114.58 118.04 1mio h GLU 307 Ca -0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1mio h GLU 307 Cb 0.23 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1mio h GLU 307 CO 0.01 0.44 -0.34 1.25 -1.18 0.00 0.00 179.01 179.19 1mio h LEU 308 N -0.61 0.15 -0.44 1.64 5.85 -1.44 -0.45 115.31 120.02 1mio h LEU 308 Ca -0.01 -0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.49 1mio h LEU 308 Cb 0.53 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1mio h LEU 308 CO 0.01 0.49 -0.58 0.74 -0.34 0.00 0.00 178.44 178.76 1mio h THR 309 N 0.13 1.31 0.35 1.05 2.02 -0.53 -2.56 112.91 114.68 1mio h THR 309 Ca 0.02 -1.82 -0.02 0.00 0.77 0.00 0.00 66.41 65.36 1mio h THR 309 Cb 0.67 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1mio h THR 309 CO 0.05 0.57 -0.17 0.50 0.37 0.00 0.00 175.52 176.84 1mio h LYS 310 N 0.48 -0.45 -0.73 6.66 3.64 -0.13 -2.22 116.57 123.81 1mio h LYS 310 Ca 0.00 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1mio h LYS 310 Cb 1.14 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.03 1mio h LYS 310 CO 0.11 -0.19 0.48 0.07 -2.27 0.00 0.00 179.45 177.65 1mio h ARG 311 N -0.65 0.96 -0.27 1.90 0.11 -1.18 -1.37 114.38 113.89 1mio h ARG 311 Ca -0.05 -0.06 0.06 0.00 0.10 0.00 0.00 59.98 60.03 1mio h ARG 311 Cb 0.46 -0.22 -0.06 0.00 1.11 0.00 0.00 29.97 31.27 1mio h ARG 311 CO 0.08 0.64 -0.14 1.15 0.10 0.00 0.00 179.97 181.80 1mio h THR 312 N 0.99 0.58 -0.52 0.08 2.02 -1.32 0.08 112.91 114.82 1mio h THR 312 Ca 0.27 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.42 1mio h THR 312 Cb -0.11 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 1mio h THR 312 CO -0.06 0.00 0.22 -0.33 0.37 0.00 0.00 175.52 175.73 1mio h GLU 313 N -0.11 0.73 0.85 6.66 4.39 -0.65 0.21 114.58 126.68 1mio h GLU 313 Ca 0.14 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 1mio h GLU 313 Cb 0.32 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1mio h GLU 313 CO -0.33 0.59 -0.41 0.93 -1.16 0.00 0.00 179.01 178.63 1mio h GLU 314 N 0.73 -1.10 0.00 2.33 5.08 -1.02 -2.34 114.58 118.27 1mio h GLU 314 Ca 0.18 0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 1mio h GLU 314 Cb 0.12 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1mio h GLU 314 CO -0.02 -0.73 -0.25 -0.24 -1.00 0.00 0.00 179.01 176.77 1mio h VAL 315 N -1.29 0.91 0.54 3.13 3.04 -0.72 -1.77 116.25 120.09 1mio h VAL 315 Ca -0.12 -0.96 -0.02 0.00 -1.01 0.00 0.00 66.70 64.60 1mio h VAL 315 Cb 0.88 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.71 1mio h VAL 315 CO 0.19 0.25 -0.34 0.40 -1.01 0.00 0.00 177.57 177.06 1mio h ILE 316 N 0.00 0.30 0.58 3.17 1.08 -0.59 -2.46 117.51 119.59 1mio h ILE 316 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1mio h ILE 316 Cb 0.54 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.58 1mio h ILE 316 CO 0.03 0.00 -0.47 0.00 -0.69 0.00 0.00 178.15 177.03 1mio h ALA 317 N -0.45 -1.10 -0.85 1.87 0.00 -1.13 -1.88 119.26 115.72 1mio h ALA 317 Ca -0.06 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 54.86 1mio h ALA 317 Cb 0.68 0.63 -0.13 0.00 0.00 0.00 0.00 17.79 18.98 1mio h ALA 317 CO 0.06 -1.15 0.25 1.49 0.00 0.00 0.00 179.25 179.90 1mio h GLU 318 N -1.02 0.25 0.37 0.00 4.81 -1.38 -0.04 114.58 117.57 1mio h GLU 318 Ca -0.07 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1mio h GLU 318 Cb 0.86 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1mio h GLU 318 CO 0.00 0.17 -0.18 0.93 -0.73 0.00 0.00 179.01 179.20 1mio h GLU 319 N 0.26 -0.48 0.00 1.92 4.39 -1.26 -3.05 114.58 116.36 1mio h GLU 319 Ca 0.52 0.03 -0.12 0.00 0.34 0.00 0.00 59.36 60.13 1mio h GLU 319 Cb 1.00 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 1mio h GLU 319 CO -0.60 -0.17 -0.59 0.97 -1.16 0.00 0.00 179.01 177.47 1mio h ILE 320 N -0.84 1.37 -0.73 3.13 2.10 -0.71 -2.95 117.51 118.88 1mio h ILE 320 Ca -0.05 -2.04 -0.03 0.00 1.08 0.00 0.00 64.86 63.82 1mio h ILE 320 Cb 0.53 2.12 -0.03 0.00 -1.09 0.00 0.00 36.82 38.35 1mio h ILE 320 CO 0.08 0.57 0.33 0.00 -1.08 0.00 0.00 178.15 178.06 1mio h ALA 321 N 1.41 0.95 -0.75 0.18 0.00 -1.10 0.97 119.26 120.92 1mio h ALA 321 Ca -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1mio h ALA 321 Cb 1.07 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1mio h ALA 321 CO 0.08 0.53 0.50 0.00 0.00 0.00 0.00 179.25 180.35 1mio h ALA 322 N 1.16 0.95 0.00 0.00 0.00 -1.45 -3.11 119.26 116.81 1mio h ALA 322 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1mio h ALA 322 Cb 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1mio h ALA 322 CO -0.03 0.37 0.00 0.82 0.00 0.00 0.00 179.25 180.41 1mio h ILE 323 N 1.02 0.00 0.05 0.00 1.08 -1.29 -3.40 117.51 114.97 1mio h ILE 323 Ca 0.27 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1mio h ILE 323 Cb -0.12 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 1mio h ILE 323 CO -0.06 0.00 -0.14 -0.61 -0.69 0.00 0.00 178.15 176.65 1mio h GLN 324 N 0.00 -0.20 -0.33 2.37 5.75 -0.74 -2.41 115.11 119.56 1mio h GLN 324 Ca 0.00 0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.61 1mio h GLN 324 Cb 0.43 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 1mio h GLN 324 CO 0.00 -0.13 0.39 -0.44 -2.65 0.00 0.00 178.83 176.00 1mio h ASP 325 N -0.21 0.00 0.04 -0.69 3.32 -1.80 0.49 116.42 117.57 1mio h ASP 325 Ca -0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 1mio h ASP 325 Cb 0.20 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.76 1mio h ASP 325 CO -0.07 0.00 -0.28 0.44 -1.72 0.00 0.00 179.24 177.62 1mio h ASP 326 N 0.00 0.17 -0.68 6.45 3.32 -1.84 -1.84 116.42 122.00 1mio h ASP 326 Ca 0.15 -0.94 0.13 0.00 0.02 0.00 0.00 57.03 56.40 1mio h ASP 326 Cb 0.94 -0.06 -0.13 0.00 0.22 0.00 0.00 39.33 40.30 1mio h ASP 326 CO -0.00 1.10 -0.22 -0.07 -1.72 0.00 0.00 179.24 178.33 1mio h LEU 327 N -0.73 -0.80 -0.10 1.55 3.38 -0.43 0.31 115.31 118.49 1mio h LEU 327 Ca -0.05 0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1mio h LEU 327 Cb 1.18 0.48 -0.05 0.00 0.09 0.00 0.00 40.66 42.36 1mio h LEU 327 CO 0.05 -0.25 -0.22 0.44 0.09 0.00 0.00 178.44 178.55 1mio h ASP 328 N -0.04 -0.67 -0.54 -0.43 5.19 -1.26 -1.26 116.42 117.42 1mio h ASP 328 Ca 0.31 0.11 0.10 0.00 -0.62 0.00 0.00 57.03 56.93 1mio h ASP 328 Cb 0.53 0.29 -0.08 0.00 0.18 0.00 0.00 39.33 40.26 1mio h ASP 328 CO -0.72 -0.27 0.09 0.22 -3.12 0.00 0.00 179.24 175.44 1mio h TYR 329 N -0.29 0.14 -0.39 4.55 3.20 0.33 -1.80 116.97 122.70 1mio h TYR 329 Ca 0.09 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.02 1mio h TYR 329 Cb 0.42 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 1mio h TYR 329 CO -0.31 -0.03 0.20 0.74 -1.64 0.00 0.00 178.16 177.12 1mio h PHE 330 N 0.22 0.37 -0.75 -3.82 0.04 -0.06 -1.64 116.94 111.29 1mio h PHE 330 Ca 0.27 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.05 1mio h PHE 330 Cb 0.39 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 1mio h PHE 330 CO -0.25 0.19 0.42 0.87 -0.60 0.00 0.00 178.31 178.95 1mio h LYS 331 N 0.40 1.04 0.00 1.51 1.57 -0.41 -2.58 116.57 118.11 1mio h LYS 331 Ca 0.17 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1mio h LYS 331 Cb 0.07 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1mio h LYS 331 CO -0.11 0.77 -0.33 1.05 -0.57 0.00 0.00 179.45 180.26 1mio h GLU 332 N 1.04 0.00 0.00 3.15 4.11 -0.79 -0.17 114.58 121.93 1mio h GLU 332 Ca 0.27 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.50 1mio h GLU 332 Cb 0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1mio h GLU 332 CO -0.04 0.33 -1.01 0.87 0.07 0.00 0.00 179.01 179.22 1mio h LYS 333 N 0.00 0.00 -0.00 1.06 1.79 -1.18 -3.39 116.57 114.84 1mio h LYS 333 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1mio h LYS 333 Cb 0.76 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1mio h LYS 333 CO 0.04 0.82 -0.21 1.28 -1.08 0.00 0.00 179.45 180.30 1mio n LEU 334 N -3.27 0.86 -4.77 2.94 4.32 -0.62 -5.02 117.00 111.44 1mio n LEU 334 Ca -0.02 -0.69 -0.39 0.00 -0.02 0.00 0.00 56.01 54.88 1mio n LEU 334 Cb 0.91 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.71 1mio n LEU 334 CO 0.45 0.18 0.99 0.00 -1.22 0.00 0.00 177.39 177.80 1mio s GLN 335 N -1.31 3.87 0.00 3.23 -2.07 -0.17 -2.76 119.66 120.45 1mio s GLN 335 Ca 0.05 2.22 0.00 0.00 -1.82 0.00 0.00 55.36 55.82 1mio s GLN 335 Cb 0.06 -2.71 0.00 0.00 -1.09 0.00 0.00 33.01 29.27 1mio s GLN 335 CO 0.23 -0.60 0.00 0.41 -1.32 0.00 0.00 175.29 174.01 1mio n GLY 336 N 0.64 0.81 3.89 2.60 0.00 -0.20 -4.96 105.19 107.97 1mio n GLY 336 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1mio n GLY 336 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mio s LYS 337 N -0.73 2.99 -0.03 1.61 1.02 -1.11 -4.87 119.74 118.63 1mio s LYS 337 Ca 0.00 0.39 0.05 0.00 0.02 0.00 0.00 55.97 56.43 1mio s LYS 337 Cb 0.00 -2.10 -0.01 0.00 -0.52 0.00 0.00 37.83 35.20 1mio s LYS 337 CO 0.00 -0.87 -0.19 0.95 -0.92 0.00 0.00 175.35 174.33 1mio s THR 338 N -3.23 1.51 0.20 2.17 -4.23 -1.26 -0.24 115.64 110.56 1mio s THR 338 Ca 0.56 -0.79 0.11 0.00 -1.18 0.00 0.00 61.69 60.40 1mio s THR 338 Cb -0.11 -1.27 -0.04 0.00 1.34 0.00 0.00 72.50 72.41 1mio s THR 338 CO 0.50 0.43 -0.20 0.00 -0.54 0.00 0.00 174.62 174.81 1mio s ALA 339 N -0.20 2.65 0.12 3.99 0.00 0.58 -0.25 121.76 128.65 1mio s ALA 339 Ca 0.01 -1.64 0.09 0.00 0.00 0.00 0.00 51.96 50.43 1mio s ALA 339 Cb -0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1mio s ALA 339 CO 0.01 0.41 -0.22 0.00 0.00 0.00 0.00 175.76 175.96 1mio s LEU 341 N -2.09 1.96 -0.30 0.00 1.43 -0.87 -1.48 118.68 117.33 1mio s LEU 341 Ca 0.10 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1mio s LEU 341 Cb -0.09 -0.46 0.15 0.00 0.03 0.00 0.00 46.19 45.82 1mio s LEU 341 CO 0.05 0.10 0.38 -0.47 0.23 0.00 0.00 176.35 176.64 1mio s TYR 342 N -0.11 -0.79 0.00 0.29 5.04 -0.25 -2.43 117.35 119.10 1mio s TYR 342 Ca 0.02 0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.68 1mio s TYR 342 Cb -0.04 -0.26 0.00 0.00 0.35 0.00 0.00 41.96 42.01 1mio s TYR 342 CO -0.00 -0.97 0.00 0.28 -1.34 0.00 0.00 175.55 173.51 1mio n VAL 343 N 5.17 0.00 -2.83 3.14 0.31 -1.22 -4.15 118.33 118.75 1mio n VAL 343 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1mio n VAL 343 Cb 0.48 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 1mio n VAL 343 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mio n GLY 344 N 5.00 3.73 1.51 2.92 0.00 -1.26 -2.13 105.19 114.95 1mio n GLY 344 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1mio n GLY 344 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mio n GLY 345 N 5.00 0.00 0.00 -0.02 0.00 -1.26 -3.17 105.19 105.74 1mio n GLY 345 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mio n GLY 345 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mio n SER 346 N 0.00 0.00 0.01 1.61 7.64 -1.26 -4.67 113.62 116.95 1mio n SER 346 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 1mio n SER 346 Cb 0.00 0.00 0.55 0.00 -1.01 0.00 0.00 64.21 63.75 1mio n SER 346 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1mio n ARG 347 N 0.00 0.01 0.27 1.43 1.74 -1.19 -1.35 116.66 117.58 1mio n ARG 347 Ca 0.00 0.06 0.17 0.00 -0.77 0.00 0.00 57.85 57.31 1mio n ARG 347 Cb 0.00 -1.52 0.62 0.00 -1.02 0.00 0.00 32.46 30.54 1mio n ARG 347 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1mio h SER 348 N 0.00 0.00 0.01 0.55 0.02 -1.87 -3.28 113.55 108.98 1mio h SER 348 Ca 0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 1mio h SER 348 Cb 0.46 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 1mio h SER 348 CO 0.00 0.00 -1.43 1.57 -1.14 0.00 0.00 176.83 175.83 1mio n HIS 349 N -3.10 0.95 -0.28 3.45 -0.00 -0.45 -4.32 115.22 111.47 1mio n HIS 349 Ca 0.01 0.39 -0.05 0.00 -0.00 0.00 0.00 57.72 58.07 1mio n HIS 349 Cb 0.34 -1.10 0.06 0.00 -0.00 0.00 0.00 29.99 29.29 1mio n HIS 349 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1mio h THR 350 N -0.92 1.24 0.00 3.57 1.35 -1.67 -2.72 112.91 113.76 1mio h THR 350 Ca -0.39 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1mio h THR 350 Cb 1.39 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1mio h THR 350 CO -0.21 0.27 0.00 -1.22 -0.25 0.00 0.00 175.52 174.11 1mio n TYR 351 N -4.42 0.00 -0.02 4.73 4.02 -1.24 -3.12 117.16 117.11 1mio n TYR 351 Ca 0.07 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.80 1mio n TYR 351 Cb 0.11 -0.07 -0.13 0.00 -0.02 0.00 0.00 39.34 39.23 1mio n TYR 351 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 176.86 176.37 1mio h MET 352 N 0.00 0.14 -0.73 -0.72 2.86 -1.67 -2.99 114.93 111.82 1mio h MET 352 Ca 0.00 -0.21 0.11 0.00 -2.06 0.00 0.00 59.70 57.54 1mio h MET 352 Cb 0.02 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 1mio h MET 352 CO 0.00 1.06 0.48 -2.95 1.06 0.00 0.00 176.91 176.56 1mio h ASN 353 N -0.68 0.51 -0.24 1.22 7.08 -1.74 -1.04 115.58 120.69 1mio h ASN 353 Ca -0.05 0.02 -0.05 0.00 -3.08 0.00 0.00 56.30 53.14 1mio h ASN 353 Cb 1.21 -0.09 -0.01 0.00 -2.08 0.00 0.00 38.32 37.35 1mio h ASN 353 CO 0.06 0.29 -0.03 -0.03 -2.08 0.00 0.00 177.43 175.64 1mio h MET 354 N 0.56 0.44 0.00 4.14 4.05 -1.75 -2.04 114.93 120.33 1mio h MET 354 Ca 0.34 -0.16 -0.10 0.00 -0.28 0.00 0.00 59.70 59.50 1mio h MET 354 Cb 0.58 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 1mio h MET 354 CO -0.12 0.65 -0.48 -0.07 0.23 0.00 0.00 176.91 177.12 1mio h LEU 355 N 0.19 0.00 -0.55 3.39 4.07 -1.06 -2.61 115.31 118.74 1mio h LEU 355 Ca 0.06 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 1mio h LEU 355 Cb 0.48 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 1mio h LEU 355 CO 0.02 0.48 0.19 0.11 -1.08 0.00 0.00 178.44 178.16 1mio h LYS 356 N 0.00 0.84 -0.49 1.13 1.57 -1.06 -1.65 116.57 116.91 1mio h LYS 356 Ca -0.00 -0.17 0.14 0.00 -1.87 0.00 0.00 60.65 58.75 1mio h LYS 356 Cb 0.90 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1mio h LYS 356 CO 0.06 0.75 0.55 0.77 -0.57 0.00 0.00 179.45 181.01 1mio h SER 357 N 0.76 0.00 -0.17 0.86 0.02 -0.99 -0.85 113.55 113.18 1mio h SER 357 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1mio h SER 357 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1mio h SER 357 CO -0.01 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.17 1mio n PHE 358 N -3.63 0.20 -1.00 3.45 3.72 -0.68 -4.65 117.46 114.87 1mio n PHE 358 Ca 0.09 -0.14 -0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1mio n PHE 358 Cb 0.74 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.27 1mio n PHE 358 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mio n GLY 359 N 1.02 0.42 3.82 1.37 0.00 -0.33 -2.69 105.19 108.81 1mio n GLY 359 Ca 0.12 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 1mio n GLY 359 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mio s VAL 360 N -2.00 4.82 -0.29 1.61 1.01 -0.84 -1.03 120.40 123.68 1mio s VAL 360 Ca 0.00 1.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.94 1mio s VAL 360 Cb 0.00 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1mio s VAL 360 CO 0.00 0.48 0.13 -1.81 0.00 0.00 0.00 175.10 173.90 1mio s ASP 361 N -1.26 5.45 -0.74 3.32 1.11 0.67 -4.13 116.67 121.10 1mio s ASP 361 Ca 0.30 -0.38 -0.25 0.00 0.18 0.00 0.00 52.55 52.39 1mio s ASP 361 Cb -0.18 -1.99 0.04 0.00 1.07 0.00 0.00 42.92 41.87 1mio s ASP 361 CO 0.18 -0.13 1.20 -0.44 1.18 0.00 0.00 175.17 177.16 1mio s SER 362 N 1.62 6.19 -0.00 0.27 0.01 -1.26 -0.31 113.70 120.22 1mio s SER 362 Ca 0.05 -0.67 -0.24 0.00 1.31 0.00 0.00 55.95 56.40 1mio s SER 362 Cb -0.16 -2.52 -0.19 0.00 0.21 0.00 0.00 66.02 63.36 1mio s SER 362 CO 0.06 -1.71 1.27 -0.07 0.41 0.00 0.00 173.24 173.20 1mio h LEU 363 N 12.53 0.15 -8.70 2.44 3.38 -1.65 -3.44 115.31 120.02 1mio h LEU 363 Ca -0.25 -0.51 -0.55 0.00 0.09 0.00 0.00 57.88 56.66 1mio h LEU 363 Cb 1.05 -0.04 -0.21 0.00 0.09 0.00 0.00 40.66 41.55 1mio h LEU 363 CO 1.26 0.63 -0.82 -0.69 0.09 0.00 0.00 178.44 178.91 1mio s VAL 364 N -4.17 1.71 0.21 1.22 1.01 -1.25 -2.62 120.40 116.51 1mio s VAL 364 Ca -0.15 -1.61 -0.20 0.00 0.00 0.00 0.00 61.98 60.01 1mio s VAL 364 Cb 0.03 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.84 1mio s VAL 364 CO 0.71 -0.12 0.61 0.00 0.00 0.00 0.00 175.10 176.30 1mio s ALA 365 N -1.34 -1.22 0.00 5.51 0.00 -0.74 -2.06 121.76 121.91 1mio s ALA 365 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1mio s ALA 365 Cb -0.09 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.90 1mio s ALA 365 CO 0.05 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.35 1mio n GLY 366 N -0.39 0.88 3.43 0.00 0.00 -1.02 -1.96 105.19 106.13 1mio n GLY 366 Ca -0.10 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 1mio n GLY 366 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mio s PHE 367 N -2.00 2.33 -1.33 1.61 0.08 -1.23 -3.42 117.98 114.02 1mio s PHE 367 Ca 0.00 -0.35 0.23 0.00 0.12 0.00 0.00 56.93 56.93 1mio s PHE 367 Cb 0.00 -1.18 0.08 0.00 -0.57 0.00 0.00 43.02 41.35 1mio s PHE 367 CO 0.00 0.47 1.12 -0.85 -0.10 0.00 0.00 175.22 175.86 1mio n GLU 368 N 0.38 0.38 0.00 0.44 0.28 -0.91 -1.54 120.64 119.67 1mio n GLU 368 Ca -0.13 -0.29 0.00 0.00 -0.16 0.00 0.00 57.16 56.58 1mio n GLU 368 Cb 0.55 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.93 1mio n GLU 368 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 1mio n PHE 369 N -1.06 0.00 -1.99 -1.84 1.16 -1.26 -4.62 117.46 107.85 1mio n PHE 369 Ca 0.06 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.35 1mio n PHE 369 Cb 0.37 0.02 0.03 0.00 -1.61 0.00 0.00 39.48 38.29 1mio n PHE 369 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1mio s ALA 370 N 0.00 3.02 0.54 1.98 0.00 -1.26 -4.59 121.76 121.46 1mio s ALA 370 Ca 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.65 1mio s ALA 370 Cb 0.00 -2.96 0.04 0.00 0.00 0.00 0.00 23.12 20.20 1mio s ALA 370 CO 0.00 -0.95 0.76 -1.01 0.00 0.00 0.00 175.76 174.56 1mio s HIS 371 N -3.24 2.75 0.22 0.00 3.76 -1.26 -3.79 115.29 113.73 1mio s HIS 371 Ca 0.56 -0.10 -0.08 0.00 -0.15 0.00 0.00 55.06 55.29 1mio s HIS 371 Cb -0.11 -2.70 0.29 0.00 1.11 0.00 0.00 32.58 31.17 1mio s HIS 371 CO 0.51 -0.86 1.78 0.00 -0.85 0.00 0.00 174.74 175.32 1mio h ARG 372 N 0.13 0.56 0.00 1.40 3.08 -1.90 -2.04 114.38 115.60 1mio h ARG 372 Ca -0.41 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1mio h ARG 372 Cb 1.29 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1mio h ARG 372 CO 0.50 0.37 0.00 -0.40 -1.07 0.00 0.00 179.97 179.37 1mio n ASP 373 N -4.88 0.00 0.13 7.04 5.75 -1.26 -1.12 116.55 122.21 1mio n ASP 373 Ca 0.10 0.35 0.12 0.00 -0.01 0.00 0.00 54.79 55.34 1mio n ASP 373 Cb 0.24 -0.40 0.04 0.00 -1.03 0.00 0.00 41.12 39.98 1mio n ASP 373 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1mio h ASP 374 N 0.00 0.00 0.00 -1.12 3.32 -1.66 -3.26 116.42 113.70 1mio h ASP 374 Ca 0.00 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 1mio h ASP 374 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1mio h ASP 374 CO 0.00 0.00 -1.21 -1.22 -1.72 0.00 0.00 179.24 175.09 1mio n TYR 375 N -2.78 0.53 0.00 4.55 4.01 -0.92 -0.66 117.16 121.89 1mio n TYR 375 Ca 0.01 0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.98 1mio n TYR 375 Cb 0.54 -0.82 0.00 0.00 -0.31 0.00 0.00 39.34 38.75 1mio n TYR 375 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1mio n GLU 376 N -4.46 0.00 -3.57 -0.72 1.02 -0.28 -0.35 120.64 112.27 1mio n GLU 376 Ca -0.24 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 56.84 1mio n GLU 376 Cb 0.55 -0.08 -0.02 0.00 -0.02 0.00 0.00 31.44 31.87 1mio n GLU 376 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1mio s GLY 377 N -0.26 -0.39 0.59 0.62 0.00 -1.23 -0.45 107.32 106.20 1mio s GLY 377 Ca 0.00 0.98 0.38 0.00 0.00 0.00 0.00 44.72 46.08 1mio s GLY 377 CO 0.00 0.31 2.17 3.21 0.00 0.00 0.00 173.10 178.79 1mio h ARG 378 N 2.00 0.00 -0.18 2.90 3.08 -1.51 -2.22 114.38 118.45 1mio h ARG 378 Ca -0.20 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.86 1mio h ARG 378 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 1mio h ARG 378 CO 0.28 0.00 0.07 1.05 -1.07 0.00 0.00 179.97 180.30 1mio h GLU 379 N 0.00 0.16 0.00 0.04 9.09 -1.92 -2.91 114.58 119.04 1mio h GLU 379 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.40 1mio h GLU 379 Cb 0.08 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 1mio h GLU 379 CO 0.00 0.10 0.00 1.55 0.05 0.00 0.00 179.01 180.72 1mio n VAL 380 N -5.03 0.25 0.06 -1.06 3.14 -0.83 -3.30 118.33 111.55 1mio n VAL 380 Ca -0.03 0.06 -0.08 0.00 -2.96 0.00 0.00 64.34 61.33 1mio n VAL 380 Cb 0.06 -1.06 0.05 0.00 -1.06 0.00 0.00 33.84 31.83 1mio n VAL 380 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1mio h ILE 381 N 0.00 1.39 -1.06 1.55 2.04 -1.71 0.79 117.51 120.50 1mio h ILE 381 Ca 0.00 -2.12 0.31 0.00 1.00 0.00 0.00 64.86 64.05 1mio h ILE 381 Cb 0.00 2.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 1mio h ILE 381 CO 0.00 0.63 0.95 -0.65 0.00 0.00 0.00 178.15 179.08 1mio h PRO 382 N 0.25 0.00 -3.19 2.37 0.11 -1.83 -3.36 132.00 126.35 1mio h PRO 382 Ca -0.02 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 65.36 1mio h PRO 382 Cb 1.26 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 32.03 1mio h PRO 382 CO 0.12 0.00 0.11 0.25 -0.21 0.00 0.00 178.00 178.26 1mio n THR 383 N -3.74 3.63 -3.73 -1.15 -2.24 0.27 -5.06 114.28 102.26 1mio n THR 383 Ca 0.23 -5.31 -0.15 0.00 -2.27 0.00 0.00 64.05 56.55 1mio n THR 383 Cb 1.29 -2.35 -0.15 0.00 -2.10 0.00 0.00 70.33 67.02 1mio n THR 383 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1mio s ILE 384 N -1.70 -0.09 -0.65 2.28 1.01 -1.26 -4.92 121.20 115.87 1mio s ILE 384 Ca 0.30 0.24 -0.27 0.00 0.00 0.00 0.00 60.65 60.92 1mio s ILE 384 Cb -0.04 -0.21 0.02 0.00 0.01 0.00 0.00 42.46 42.25 1mio s ILE 384 CO -0.07 0.10 1.36 -0.75 0.00 0.00 0.00 174.94 175.57 1mio s LYS 385 N 1.43 3.23 -0.52 2.79 2.20 -1.26 -4.97 119.74 122.64 1mio s LYS 385 Ca -0.06 0.12 -0.14 0.00 -0.36 0.00 0.00 55.97 55.53 1mio s LYS 385 Cb -0.12 -4.15 0.12 0.00 -1.51 0.00 0.00 37.83 32.17 1mio s LYS 385 CO -0.05 -2.06 0.45 0.42 -0.36 0.00 0.00 175.35 173.75 1mio s ILE 386 N 6.00 4.90 0.04 5.43 1.01 -1.26 -4.37 121.20 132.95 1mio s ILE 386 Ca 0.44 -1.57 -0.00 0.00 0.00 0.00 0.00 60.65 59.53 1mio s ILE 386 Cb -0.09 -4.16 -0.00 0.00 0.01 0.00 0.00 42.46 38.22 1mio s ILE 386 CO 0.20 -0.83 -0.00 -0.90 0.00 0.00 0.00 174.94 173.41 1mio n ASP 387 N 5.14 0.45 0.00 3.58 5.68 -1.26 -5.04 116.55 125.10 1mio n ASP 387 Ca -0.12 0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.23 1mio n ASP 387 Cb 0.40 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 1mio n ASP 387 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mio n ALA 388 N -2.90 0.00 -0.88 2.12 0.00 -1.26 -4.83 120.51 112.75 1mio n ALA 388 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mio n ALA 388 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1mio n ALA 388 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1mio n ASP 389 N 1.12 -1.26 0.00 0.00 8.00 -1.26 -4.09 116.55 119.06 1mio n ASP 389 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1mio n ASP 389 Cb 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 1mio n ASP 389 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1mio n SER 390 N 0.00 0.00 -2.54 -2.24 2.88 -1.26 -4.22 113.62 106.23 1mio n SER 390 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1mio n SER 390 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 1mio n SER 390 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1mio n LYS 391 N 0.00 3.01 -2.94 -1.46 2.85 -1.26 -4.47 118.16 113.89 1mio n LYS 391 Ca 0.00 -3.78 -0.44 0.00 -1.05 0.00 0.00 58.31 53.04 1mio n LYS 391 Cb 0.00 -2.27 -0.00 0.00 -0.65 0.00 0.00 35.03 32.11 1mio n LYS 391 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1mio s ASN 392 N -2.19 7.03 -0.29 -5.58 4.22 -1.26 -4.54 114.94 112.34 1mio s ASN 392 Ca 0.54 -2.90 -0.24 0.00 -2.14 0.00 0.00 52.86 48.12 1mio s ASN 392 Cb 0.44 -2.40 0.16 0.00 1.28 0.00 0.00 41.25 40.73 1mio s ASN 392 CO -0.20 -0.78 1.25 -0.63 -2.04 0.00 0.00 177.10 174.70 1mio s ILE 393 N 1.71 0.00 0.48 0.54 1.01 -1.26 -4.71 121.20 118.97 1mio s ILE 393 Ca 0.42 0.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.84 1mio s ILE 393 Cb -0.03 -1.00 -0.07 0.00 0.01 0.00 0.00 42.46 41.37 1mio s ILE 393 CO -0.01 0.00 1.28 -2.16 0.00 0.00 0.00 174.94 174.05 1mio s PRO 394 N 0.22 3.59 0.02 2.79 0.04 -1.26 -5.01 135.00 135.40 1mio s PRO 394 Ca 0.04 2.07 0.06 0.00 0.04 0.00 0.00 61.00 63.21 1mio s PRO 394 Cb -0.05 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1mio s PRO 394 CO -0.12 -0.77 -0.16 -2.00 0.04 0.00 0.00 177.00 173.99 1mio s GLU 395 N -2.64 2.21 0.15 4.56 -6.30 -1.26 -4.97 118.70 110.45 1mio s GLU 395 Ca 0.64 -0.90 0.11 0.00 -2.50 0.00 0.00 54.97 52.33 1mio s GLU 395 Cb -0.36 -2.26 -0.04 0.00 0.00 0.00 0.00 34.13 31.47 1mio s GLU 395 CO 0.44 0.56 -0.26 -1.50 0.02 0.00 0.00 175.26 174.52 1mio s ILE 396 N -0.90 2.31 -0.03 -3.70 2.07 -1.26 -5.14 121.20 114.55 1mio s ILE 396 Ca 0.15 -1.86 0.04 0.00 -1.41 0.00 0.00 60.65 57.56 1mio s ILE 396 Cb -0.11 -2.06 -0.00 0.00 0.13 0.00 0.00 42.46 40.43 1mio s ILE 396 CO 0.05 0.01 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.07 1mio s THR 397 N -1.30 1.11 -0.15 4.00 2.01 -1.26 -5.11 115.64 114.94 1mio s THR 397 Ca 0.17 -0.55 -0.06 0.00 0.31 0.00 0.00 61.69 61.56 1mio s THR 397 Cb -0.09 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 1mio s THR 397 CO 0.08 0.33 0.05 0.68 -0.69 0.00 0.00 174.62 175.07 1mio s VAL 398 N 0.06 4.72 0.01 3.82 -7.23 -1.26 -5.13 120.40 115.40 1mio s VAL 398 Ca -0.02 -0.07 0.04 0.00 -1.81 0.00 0.00 61.98 60.12 1mio s VAL 398 Cb -0.09 -3.09 -0.01 0.00 0.56 0.00 0.00 36.38 33.74 1mio s VAL 398 CO 0.01 0.51 -0.14 -0.89 -0.31 0.00 0.00 175.10 174.28 1mio s THR 399 N -0.06 1.09 -0.13 5.32 2.01 -1.26 -4.86 115.64 117.75 1mio s THR 399 Ca 0.06 -0.73 -0.18 0.00 0.31 0.00 0.00 61.69 61.14 1mio s THR 399 Cb -0.12 -0.93 -0.08 0.00 0.01 0.00 0.00 72.50 71.37 1mio s THR 399 CO 0.01 0.19 0.58 -2.65 -0.69 0.00 0.00 174.62 172.07 1mio n PRO 400 N 2.43 0.00 -2.58 4.92 -0.02 -1.24 -4.59 135.00 133.92 1mio n PRO 400 Ca -0.15 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.91 1mio n PRO 400 Cb 0.55 -0.63 -0.03 0.00 -0.02 0.00 0.00 33.50 33.38 1mio n PRO 400 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1mio s ASP 401 N 0.77 6.34 0.27 2.55 -1.08 0.27 -4.85 116.67 120.93 1mio s ASP 401 Ca 0.42 -0.13 0.20 0.00 -0.52 0.00 0.00 52.55 52.52 1mio s ASP 401 Cb -0.59 -2.55 0.90 0.00 -1.46 0.00 0.00 42.92 39.23 1mio s ASP 401 CO 0.30 -1.60 0.94 -0.62 0.52 0.00 0.00 175.17 174.71 1mio n GLU 402 N 8.73 -0.02 -0.10 4.34 -0.58 -1.26 0.23 120.64 131.99 1mio n GLU 402 Ca 0.06 0.75 -0.12 0.00 -0.42 0.00 0.00 57.16 57.43 1mio n GLU 402 Cb 0.49 -1.49 -0.11 0.00 -0.57 0.00 0.00 31.44 29.76 1mio n GLU 402 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1mio n GLN 403 N -3.85 0.81 -0.21 3.49 7.27 -1.26 -4.69 117.38 118.94 1mio n GLN 403 Ca 0.24 0.07 0.07 0.00 0.07 0.00 0.00 57.00 57.46 1mio n GLN 403 Cb 0.95 -1.42 0.16 0.00 2.41 0.00 0.00 30.24 32.35 1mio n GLN 403 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1mio n LYS 404 N -2.93 2.42 -3.23 3.69 5.02 -0.85 -4.96 118.16 117.32 1mio n LYS 404 Ca -0.34 -2.42 -0.38 0.00 -2.02 0.00 0.00 58.31 53.16 1mio n LYS 404 Cb 0.95 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 34.39 1mio n LYS 404 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1mio s TYR 405 N -2.24 3.77 0.15 2.13 5.04 0.14 -4.38 117.35 121.96 1mio s TYR 405 Ca 0.29 1.30 -0.23 0.00 -2.44 0.00 0.00 57.07 56.00 1mio s TYR 405 Cb 0.23 -2.53 0.07 0.00 0.35 0.00 0.00 41.96 40.08 1mio s TYR 405 CO 0.07 0.53 0.58 -0.98 -1.34 0.00 0.00 175.55 174.41 1mio s ARG 406 N -1.34 1.26 -0.29 4.97 3.03 -0.28 -4.98 118.95 121.32 1mio s ARG 406 Ca 0.33 -0.48 -0.05 0.00 2.03 0.00 0.00 55.73 57.55 1mio s ARG 406 Cb -0.19 0.58 0.02 0.00 -1.03 0.00 0.00 34.95 34.33 1mio s ARG 406 CO 0.20 -0.54 0.05 0.54 -1.13 0.00 0.00 175.30 174.42 1mio s VAL 407 N -3.71 3.67 -0.49 4.99 0.11 -1.26 -3.65 120.40 120.06 1mio s VAL 407 Ca 0.01 -0.85 0.24 0.00 -2.93 0.00 0.00 61.98 58.45 1mio s VAL 407 Cb -0.01 -2.92 0.24 0.00 -1.53 0.00 0.00 36.38 32.15 1mio s VAL 407 CO -0.13 0.06 1.52 -0.37 -3.33 0.00 0.00 175.10 172.85 1mio h VAL 408 N 5.99 0.00 -3.38 2.04 -1.51 -1.90 -3.41 116.25 114.08 1mio h VAL 408 Ca -0.30 -0.82 -0.41 0.00 -1.23 0.00 0.00 66.70 63.94 1mio h VAL 408 Cb 1.11 1.69 -0.36 0.00 -2.13 0.00 0.00 31.29 31.60 1mio h VAL 408 CO 0.59 0.00 -0.76 -0.63 -1.23 0.00 0.00 177.57 175.54 1mio s ILE 409 N -3.21 0.38 0.00 7.19 1.01 -1.26 -5.12 121.20 120.19 1mio s ILE 409 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1mio s ILE 409 Cb 0.08 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 42.07 1mio s ILE 409 CO 0.68 0.22 0.00 -2.65 0.00 0.00 0.00 174.94 173.19 1mio n PRO 410 N 4.55 0.52 -1.40 2.79 -0.02 -1.26 -4.88 135.00 135.31 1mio n PRO 410 Ca -0.17 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.06 1mio n PRO 410 Cb 0.50 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.93 1mio n PRO 410 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1mio n GLU 411 N -0.41 2.31 -0.22 -0.52 4.71 -1.26 -1.27 120.64 123.99 1mio n GLU 411 Ca 0.00 -2.18 0.07 0.00 -0.01 0.00 0.00 57.16 55.04 1mio n GLU 411 Cb 0.00 -2.08 0.20 0.00 -1.01 0.00 0.00 31.44 28.55 1mio n GLU 411 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1mio n ASP 412 N 0.92 3.18 -0.21 1.62 5.75 -1.26 -3.89 116.55 122.66 1mio n ASP 412 Ca 0.47 -1.99 -0.09 0.00 -0.01 0.00 0.00 54.79 53.17 1mio n ASP 412 Cb 0.58 -0.29 0.02 0.00 -1.03 0.00 0.00 41.12 40.40 1mio n ASP 412 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1mio h LYS 413 N 2.66 0.97 0.00 0.11 1.57 -1.52 0.01 116.57 120.36 1mio h LYS 413 Ca 0.00 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.41 1mio h LYS 413 Cb 0.80 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1mio h LYS 413 CO 0.00 0.91 -0.52 -0.39 -0.57 0.00 0.00 179.45 178.89 1mio h VAL 414 N 0.87 1.26 0.00 0.50 -1.51 -1.84 -0.17 116.25 115.36 1mio h VAL 414 Ca 0.18 -1.84 -0.03 0.00 -1.23 0.00 0.00 66.70 63.78 1mio h VAL 414 Cb 0.41 2.02 -0.00 0.00 -2.13 0.00 0.00 31.29 31.59 1mio h VAL 414 CO 0.01 0.51 -0.12 -0.33 -1.23 0.00 0.00 177.57 176.41 1mio h GLU 415 N 0.00 0.00 0.54 5.19 5.08 -1.62 -1.12 114.58 122.64 1mio h GLU 415 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1mio h GLU 415 Cb 0.98 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.23 1mio h GLU 415 CO 0.07 0.12 -0.26 0.93 -1.00 0.00 0.00 179.01 178.87 1mio h GLU 416 N 0.00 -0.69 -1.00 2.33 3.07 0.84 -2.19 114.58 116.94 1mio h GLU 416 Ca -0.00 0.05 0.13 0.00 -0.50 0.00 0.00 59.36 59.03 1mio h GLU 416 Cb 0.46 0.16 -0.09 0.00 -0.84 0.00 0.00 28.75 28.44 1mio h GLU 416 CO 0.02 -0.41 0.63 -0.07 -1.40 0.00 0.00 179.01 177.78 1mio h LEU 417 N -1.10 0.91 0.00 1.33 3.38 -1.40 -1.41 115.31 117.02 1mio h LEU 417 Ca -0.07 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1mio h LEU 417 Cb 0.61 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1mio h LEU 417 CO 0.12 0.48 0.00 0.29 0.09 0.00 0.00 178.44 179.42 1mio n LYS 418 N -4.62 0.00 -2.81 1.13 4.01 -0.43 -4.17 118.16 111.26 1mio n LYS 418 Ca 0.19 0.32 -0.42 0.00 -0.51 0.00 0.00 58.31 57.89 1mio n LYS 418 Cb 0.37 -1.10 -0.03 0.00 -0.51 0.00 0.00 35.03 33.76 1mio n LYS 418 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1mio s LYS 419 N -1.55 4.32 0.00 1.97 2.36 -0.82 -3.41 119.74 122.61 1mio s LYS 419 Ca 0.00 1.15 0.00 0.00 -2.55 0.00 0.00 55.97 54.57 1mio s LYS 419 Cb 0.00 -3.57 0.00 0.00 -1.05 0.00 0.00 37.83 33.21 1mio s LYS 419 CO 0.00 -0.36 0.00 0.00 1.55 0.00 0.00 175.35 176.54 1mio n ALA 420 N 5.31 0.00 -3.88 3.13 0.00 -1.26 -3.91 120.51 119.90 1mio n ALA 420 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.23 1mio n ALA 420 Cb 0.48 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1mio n ALA 420 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mio n GLY 421 N -0.54 -0.46 3.62 0.00 0.00 -1.22 -4.94 105.19 101.65 1mio n GLY 421 Ca 0.00 0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1mio n GLY 421 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mio s VAL 422 N -3.80 3.84 -0.38 1.61 1.01 -0.54 -4.88 120.40 117.26 1mio s VAL 422 Ca 0.15 0.91 -0.02 0.00 0.00 0.00 0.00 61.98 63.02 1mio s VAL 422 Cb -0.06 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1mio s VAL 422 CO 0.88 -0.49 1.47 -0.81 0.00 0.00 0.00 175.10 176.15 1mio n PRO 423 N 7.79 0.88 -2.00 2.72 -0.04 -1.26 -3.74 135.00 139.35 1mio n PRO 423 Ca 0.18 -0.88 -0.43 0.00 -0.04 0.00 0.00 63.50 62.33 1mio n PRO 423 Cb 0.47 -2.17 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 1mio n PRO 423 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mio s LEU 424 N 0.04 3.60 -1.19 1.53 1.02 -1.26 -2.47 118.68 119.95 1mio s LEU 424 Ca 0.17 1.43 -0.03 0.00 0.02 0.00 0.00 54.13 55.73 1mio s LEU 424 Cb 0.05 -3.53 0.02 0.00 0.02 0.00 0.00 46.19 42.75 1mio s LEU 424 CO -0.01 -1.61 0.18 -1.20 0.02 0.00 0.00 176.35 173.73 1mio n SER 425 N 9.88 -4.16 -4.09 2.29 7.64 0.60 -4.93 113.62 120.85 1mio n SER 425 Ca 0.22 -0.01 -0.11 0.00 1.01 0.00 0.00 58.87 59.98 1mio n SER 425 Cb 0.46 -3.49 -0.11 0.00 -1.01 0.00 0.00 64.21 60.07 1mio n SER 425 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1mio s SER 426 N -2.27 0.83 -0.01 6.43 1.04 -1.19 -5.06 113.70 113.47 1mio s SER 426 Ca 0.13 -0.72 -0.03 0.00 0.48 0.00 0.00 55.95 55.81 1mio s SER 426 Cb -0.07 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1mio s SER 426 CO 0.16 -0.33 0.08 -0.47 0.98 0.00 0.00 173.24 173.66 1mio s TYR 427 N -2.26 0.01 -0.23 5.02 5.04 -1.26 -4.15 117.35 119.51 1mio s TYR 427 Ca -0.03 -0.02 -0.03 0.00 -2.44 0.00 0.00 57.07 54.55 1mio s TYR 427 Cb -0.04 -0.03 0.08 0.00 0.35 0.00 0.00 41.96 42.31 1mio s TYR 427 CO -0.02 -0.14 0.08 0.20 -1.34 0.00 0.00 175.55 174.33 1mio s GLY 428 N -0.63 0.66 0.00 8.97 0.00 -1.26 -2.14 107.32 112.92 1mio s GLY 428 Ca -0.07 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1mio s GLY 428 CO 0.00 1.65 0.00 0.61 0.00 0.00 0.00 173.10 175.36 1mio n GLY 429 N 5.10 -1.28 0.06 0.20 0.00 0.40 -4.82 105.19 104.85 1mio n GLY 429 Ca -0.07 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 1mio n GLY 429 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1mio h MET 430 N 0.00 0.00 -0.99 1.61 4.05 -0.20 -3.37 114.93 116.04 1mio h MET 430 Ca 0.00 -0.01 0.19 0.00 -0.28 0.00 0.00 59.70 59.61 1mio h MET 430 Cb 0.00 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 30.70 1mio h MET 430 CO 0.00 0.80 0.61 1.98 0.23 0.00 0.00 176.91 180.54 1mio h MET 431 N -0.79 0.68 -1.06 0.39 -1.53 -0.95 0.18 114.93 111.86 1mio h MET 431 Ca -0.00 -0.04 0.30 0.00 -3.44 0.00 0.00 59.70 56.52 1mio h MET 431 Cb 0.81 -0.15 -0.12 0.00 -0.55 0.00 0.00 31.60 31.58 1mio h MET 431 CO 0.00 0.45 0.64 0.87 0.14 0.00 0.00 176.91 179.01 1mio h LYS 432 N 0.70 0.37 0.01 0.39 1.57 -1.71 -2.60 116.57 115.31 1mio h LYS 432 Ca 0.56 -0.02 -0.32 0.00 -1.87 0.00 0.00 60.65 58.99 1mio h LYS 432 Cb 0.95 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.13 1mio h LYS 432 CO -0.34 0.25 -1.93 0.39 -0.57 0.00 0.00 179.45 177.24 1mio n GLU 433 N -4.84 0.66 -1.75 3.15 1.02 0.00 -4.98 120.64 113.90 1mio n GLU 433 Ca 0.29 0.21 -0.42 0.00 -0.02 0.00 0.00 57.16 57.23 1mio n GLU 433 Cb 0.95 -1.71 -0.01 0.00 -0.02 0.00 0.00 31.44 30.66 1mio n GLU 433 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1mio n MET 434 N -3.02 2.57 -0.75 3.49 2.81 -0.88 -5.01 117.12 116.33 1mio n MET 434 Ca -0.23 0.90 -0.29 0.00 -1.81 0.00 0.00 57.70 56.27 1mio n MET 434 Cb 1.08 -2.62 0.24 0.00 -0.71 0.00 0.00 33.22 31.21 1mio n MET 434 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 1mio s HIS 435 N -0.85 0.91 0.15 2.03 -3.43 -1.26 -4.99 115.29 107.85 1mio s HIS 435 Ca 0.56 0.85 -0.21 0.00 -0.80 0.00 0.00 55.06 55.46 1mio s HIS 435 Cb -0.50 -3.16 -0.08 0.00 -1.43 0.00 0.00 32.58 27.42 1mio s HIS 435 CO 0.60 -3.94 0.68 -0.51 -2.00 0.00 0.00 174.74 169.57 1mio s ASP 436 N -3.14 7.15 -0.01 7.38 1.01 -1.26 -3.92 116.67 123.89 1mio s ASP 436 Ca 0.68 1.42 -0.00 0.00 0.71 0.00 0.00 52.55 55.36 1mio s ASP 436 Cb -0.18 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1mio s ASP 436 CO 0.60 0.17 0.01 0.61 0.21 0.00 0.00 175.17 176.77 1mio n GLY 437 N 1.33 0.76 3.45 0.21 0.00 -0.53 -5.05 105.19 105.36 1mio n GLY 437 Ca -0.06 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 1mio n GLY 437 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1mio s THR 438 N -3.00 2.69 -0.05 2.61 -1.32 -1.25 -4.93 115.64 110.38 1mio s THR 438 Ca 0.00 -1.31 0.04 0.00 -1.21 0.00 0.00 61.69 59.20 1mio s THR 438 Cb -0.00 -2.15 -0.03 0.00 -1.51 0.00 0.00 72.50 68.82 1mio s THR 438 CO 0.01 0.28 -0.14 -0.63 -2.21 0.00 0.00 174.62 171.92 1mio s ILE 439 N -0.96 3.05 -0.11 5.08 1.09 -1.08 -1.62 121.20 126.64 1mio s ILE 439 Ca 0.15 -0.73 0.03 0.00 -1.10 0.00 0.00 60.65 59.01 1mio s ILE 439 Cb -0.10 -2.20 0.00 0.00 -1.06 0.00 0.00 42.46 39.10 1mio s ILE 439 CO 0.06 0.59 -0.23 -0.76 -0.10 0.00 0.00 174.94 174.50 1mio s LEU 440 N -0.70 2.13 -0.17 2.97 1.02 -0.25 -1.79 118.68 121.89 1mio s LEU 440 Ca 0.11 -0.56 0.00 0.00 0.02 0.00 0.00 54.13 53.70 1mio s LEU 440 Cb -0.11 -1.43 0.04 0.00 0.02 0.00 0.00 46.19 44.71 1mio s LEU 440 CO 0.01 0.13 -0.09 -0.63 0.02 0.00 0.00 176.35 175.79 1mio s ILE 441 N 0.50 1.38 -0.03 -0.59 1.01 -0.83 -1.71 121.20 120.93 1mio s ILE 441 Ca -0.15 -0.76 -0.16 0.00 0.00 0.00 0.00 60.65 59.59 1mio s ILE 441 Cb -0.17 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 1mio s ILE 441 CO 0.05 0.21 0.43 -0.62 0.00 0.00 0.00 174.94 175.01 1mio s ASP 442 N 1.52 6.78 -1.27 3.58 2.15 -0.36 -3.53 116.67 125.53 1mio s ASP 442 Ca 0.01 0.92 -0.15 0.00 0.43 0.00 0.00 52.55 53.76 1mio s ASP 442 Cb -0.15 -2.26 0.02 0.00 -0.30 0.00 0.00 42.92 40.23 1mio s ASP 442 CO -0.08 0.23 0.28 -0.90 -0.17 0.00 0.00 175.17 174.53 1mio n ASP 443 N 2.35 -1.19 -4.68 -0.34 5.68 -0.59 -4.80 116.55 112.99 1mio n ASP 443 Ca -0.12 -1.18 -0.47 0.00 -0.50 0.00 0.00 54.79 52.53 1mio n ASP 443 Cb 0.52 -1.44 -0.04 0.00 -1.14 0.00 0.00 41.12 39.02 1mio n ASP 443 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 1mio n MET 444 N -4.47 2.21 -3.02 0.11 0.00 -1.26 -4.85 117.12 105.84 1mio n MET 444 Ca -0.21 0.80 -0.19 0.00 -0.00 0.00 0.00 57.70 58.10 1mio n MET 444 Cb 0.58 -2.61 0.06 0.00 0.00 0.00 0.00 33.22 31.24 1mio n MET 444 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1mio s ASN 445 N 2.29 5.16 0.41 6.12 2.20 -1.26 -4.39 114.94 125.47 1mio s ASN 445 Ca 0.84 -0.77 0.12 0.00 -0.94 0.00 0.00 52.86 52.10 1mio s ASN 445 Cb -0.67 0.15 0.95 0.00 -2.00 0.00 0.00 41.25 39.68 1mio s ASN 445 CO 0.43 -1.27 1.97 -0.74 -2.94 0.00 0.00 177.10 174.55 1mio h HIS 446 N 0.23 0.54 0.49 1.54 -0.00 -1.80 -1.51 115.15 114.64 1mio h HIS 446 Ca -0.31 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.05 1mio h HIS 446 Cb 1.29 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.53 1mio h HIS 446 CO 0.41 0.26 -0.23 1.25 -0.00 0.00 0.00 177.93 179.62 1mio h HIS 447 N 0.51 -0.61 -0.58 5.26 -0.00 -1.95 -3.21 115.15 114.57 1mio h HIS 447 Ca 0.29 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.70 1mio h HIS 447 Cb 0.48 0.20 -0.05 0.00 -0.00 0.00 0.00 27.41 28.04 1mio h HIS 447 CO -0.00 -0.31 0.31 -0.44 -0.00 0.00 0.00 177.93 177.48 1mio h ASP 448 N -0.80 0.46 0.06 3.26 3.32 -1.68 -1.66 116.42 119.37 1mio h ASP 448 Ca -0.07 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 1mio h ASP 448 Cb 0.57 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1mio h ASP 448 CO 0.11 0.31 -0.33 0.00 -1.72 0.00 0.00 179.24 177.61 1mio h MET 449 N 0.59 0.39 0.00 3.56 -0.00 -1.53 -2.34 114.93 115.61 1mio h MET 449 Ca 0.25 -0.16 -0.02 0.00 -0.00 0.00 0.00 59.70 59.77 1mio h MET 449 Cb 0.14 -0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 31.72 1mio h MET 449 CO -0.16 0.67 -0.09 0.93 -0.00 0.00 0.00 176.91 178.27 1mio h GLU 450 N 0.34 0.00 0.08 -0.10 5.08 -1.30 0.58 114.58 119.26 1mio h GLU 450 Ca 0.04 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.08 1mio h GLU 450 Cb 0.74 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1mio h GLU 450 CO 0.06 0.09 -1.72 -0.39 -1.00 0.00 0.00 179.01 176.04 1mio h VAL 451 N 0.00 0.90 -0.90 3.13 -1.51 -1.44 0.03 116.25 116.46 1mio h VAL 451 Ca -0.00 -2.64 0.05 0.00 -1.23 0.00 0.00 66.70 62.88 1mio h VAL 451 Cb 0.21 2.57 -0.06 0.00 -2.13 0.00 0.00 31.29 31.89 1mio h VAL 451 CO 0.01 0.74 0.59 0.58 -1.23 0.00 0.00 177.57 178.26 1mio h VAL 452 N 0.05 1.10 0.26 7.19 2.07 -1.07 0.31 116.25 126.17 1mio h VAL 452 Ca -0.31 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1mio h VAL 452 Cb 2.02 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1mio h VAL 452 CO 0.11 0.19 -0.13 0.25 0.02 0.00 0.00 177.57 178.02 1mio h LEU 453 N 1.06 -0.30 -0.85 2.57 5.85 0.16 -2.45 115.31 121.36 1mio h LEU 453 Ca 0.38 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.99 1mio h LEU 453 Cb 0.13 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1mio h LEU 453 CO -0.13 0.17 0.03 -0.08 -0.34 0.00 0.00 178.44 178.09 1mio h GLU 454 N -1.08 0.89 0.33 1.25 4.22 -0.82 0.15 114.58 119.52 1mio h GLU 454 Ca -0.04 -0.24 -0.02 0.00 0.08 0.00 0.00 59.36 59.15 1mio h GLU 454 Cb 0.32 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1mio h GLU 454 CO 0.06 0.86 -0.16 0.87 -2.18 0.00 0.00 179.01 178.47 1mio h LYS 455 N 0.83 -0.42 0.00 1.92 6.56 -0.52 -3.40 116.57 121.53 1mio h LYS 455 Ca 0.16 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.78 1mio h LYS 455 Cb 0.45 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.21 1mio h LYS 455 CO 0.02 -0.11 -0.55 -0.07 -2.06 0.00 0.00 179.45 176.68 1mio h LEU 456 N -0.95 0.00 -3.37 2.94 4.07 -1.44 -3.50 115.31 113.06 1mio h LEU 456 Ca -0.04 -0.16 -0.41 0.00 0.08 0.00 0.00 57.88 57.34 1mio h LEU 456 Cb 0.51 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.29 1mio h LEU 456 CO 0.07 0.08 -0.86 0.29 -1.08 0.00 0.00 178.44 176.95 1mio n LYS 457 N -2.21 -1.16 -2.44 1.13 4.01 0.04 -4.95 118.16 112.58 1mio n LYS 457 Ca 0.03 0.64 -0.36 0.00 -0.51 0.00 0.00 58.31 58.11 1mio n LYS 457 Cb 0.45 -3.56 -0.03 0.00 -0.51 0.00 0.00 35.03 31.39 1mio n LYS 457 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1mio s PRO 458 N -5.48 3.84 0.22 1.97 0.04 -1.26 -4.96 135.00 129.37 1mio s PRO 458 Ca 0.27 1.54 0.10 0.00 0.04 0.00 0.00 61.00 62.94 1mio s PRO 458 Cb -0.11 -2.29 0.17 0.00 0.04 0.00 0.00 34.50 32.31 1mio s PRO 458 CO 0.87 -0.43 1.50 -0.44 0.04 0.00 0.00 177.00 178.54 1mio h ASP 459 N 1.90 0.00 -5.11 6.66 3.32 -0.99 -3.46 116.42 118.74 1mio h ASP 459 Ca -0.49 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.44 1mio h ASP 459 Cb 1.23 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.61 1mio h ASP 459 CO 0.60 0.74 -0.50 -0.04 -1.72 0.00 0.00 179.24 178.31 1mio s MET 460 N -3.30 0.64 -0.10 3.56 1.00 -0.27 -3.96 119.30 116.87 1mio s MET 460 Ca -0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 55.69 54.84 1mio s MET 460 Cb 0.12 0.25 0.04 0.00 0.00 0.00 0.00 34.83 35.23 1mio s MET 460 CO 0.78 -0.17 0.01 0.12 0.00 0.00 0.00 175.02 175.76 1mio s PHE 461 N -2.94 0.78 -0.82 -0.03 2.19 -0.16 -1.85 117.98 115.15 1mio s PHE 461 Ca -0.02 -0.35 -0.12 0.00 0.33 0.00 0.00 56.93 56.77 1mio s PHE 461 Cb 0.01 -0.87 0.21 0.00 -1.31 0.00 0.00 43.02 41.06 1mio s PHE 461 CO -0.06 -0.40 0.74 -0.06 1.83 0.00 0.00 175.22 177.27 1mio s PHE 462 N 1.94 3.74 0.00 10.12 0.40 -0.55 -2.54 117.98 131.09 1mio s PHE 462 Ca 0.04 -2.16 0.00 0.00 -0.60 0.00 0.00 56.93 54.21 1mio s PHE 462 Cb -0.13 -3.72 0.00 0.00 0.51 0.00 0.00 43.02 39.68 1mio s PHE 462 CO -0.06 -0.96 0.00 0.00 0.70 0.00 0.00 175.22 174.90 1mio n ALA 463 N 3.79 0.00 -2.47 5.36 0.00 -1.20 -1.09 120.51 124.90 1mio n ALA 463 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1mio n ALA 463 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1mio n ALA 463 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mio n GLY 464 N 4.89 3.65 0.13 0.00 0.00 -1.26 -3.01 105.19 109.60 1mio n GLY 464 Ca 0.00 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 1mio n GLY 464 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1mio n ILE 465 N 0.00 1.57 -0.24 -0.61 0.13 -1.26 -2.09 119.36 116.86 1mio n ILE 465 Ca 0.00 -0.37 0.04 0.00 -1.10 0.00 0.00 62.75 61.32 1mio n ILE 465 Cb 0.00 -1.81 0.15 0.00 -0.84 0.00 0.00 39.64 37.14 1mio n ILE 465 CO 0.00 0.00 0.00 0.11 2.80 0.00 0.00 176.55 179.46 1mio h LYS 466 N -0.59 0.13 0.06 9.51 1.57 -1.99 -2.90 116.57 122.36 1mio h LYS 466 Ca -0.53 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.00 1mio h LYS 466 Cb 1.67 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.94 1mio h LYS 466 CO -0.20 0.08 -1.08 1.05 -0.57 0.00 0.00 179.45 178.73 1mio h GLU 467 N 0.13 0.22 -0.75 3.15 4.11 -2.00 -3.39 114.58 116.05 1mio h GLU 467 Ca 0.39 -0.32 0.10 0.00 0.07 0.00 0.00 59.36 59.61 1mio h GLU 467 Cb 0.68 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.92 1mio h GLU 467 CO -0.61 1.11 -0.46 -0.22 0.07 0.00 0.00 179.01 178.90 1mio h LYS 468 N 0.08 -0.13 0.00 1.06 1.63 -1.20 -2.28 116.57 115.73 1mio h LYS 468 Ca -0.08 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1mio h LYS 468 Cb 1.79 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.45 1mio h LYS 468 CO 0.17 -0.09 0.00 1.19 -3.45 0.00 0.00 179.45 177.27 1mio n PHE 469 N -5.39 0.00 -0.07 1.91 3.72 -1.25 -1.92 117.46 114.46 1mio n PHE 469 Ca 0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.31 1mio n PHE 469 Cb 0.34 -0.25 -0.11 0.00 -0.94 0.00 0.00 39.48 38.53 1mio n PHE 469 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1mio h VAL 470 N 0.00 1.42 0.30 -4.37 2.07 -1.64 -3.16 116.25 110.87 1mio h VAL 470 Ca 0.00 -2.10 -0.01 0.00 0.82 0.00 0.00 66.70 65.41 1mio h VAL 470 Cb 0.22 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1mio h VAL 470 CO 0.00 0.48 -0.14 0.40 0.02 0.00 0.00 177.57 178.33 1mio h ILE 471 N -1.00 0.73 -0.98 4.57 2.04 -1.39 -2.77 117.51 118.72 1mio h ILE 471 Ca -0.02 -0.46 0.20 0.00 1.00 0.00 0.00 64.86 65.58 1mio h ILE 471 Cb 0.85 0.98 -0.09 0.00 -0.74 0.00 0.00 36.82 37.82 1mio h ILE 471 CO -0.01 0.09 0.61 -0.61 0.00 0.00 0.00 178.15 178.23 1mio h GLN 472 N -0.65 0.62 0.00 2.37 5.75 -0.63 -1.96 115.11 120.62 1mio h GLN 472 Ca -0.04 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.35 1mio h GLN 472 Cb 0.46 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1mio h GLN 472 CO 0.07 0.41 -0.34 -0.22 -2.65 0.00 0.00 178.83 176.10 1mio h LYS 473 N 0.64 0.00 -0.23 1.69 3.64 -1.45 -2.19 116.57 118.67 1mio h LYS 473 Ca 0.55 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 1mio h LYS 473 Cb 1.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1mio h LYS 473 CO -0.31 0.34 0.00 0.41 -2.27 0.00 0.00 179.45 177.62 1mio n GLY 474 N -0.38 0.45 0.71 5.01 0.00 -0.75 -4.95 105.19 105.28 1mio n GLY 474 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1mio n GLY 474 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mio n GLY 475 N 1.14 0.79 3.18 -0.02 0.00 -0.82 -5.07 105.19 104.39 1mio n GLY 475 Ca 0.15 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 1mio n GLY 475 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mio s VAL 476 N -2.00 1.28 -0.75 1.61 0.11 -1.16 -5.03 120.40 114.46 1mio s VAL 476 Ca 0.00 -1.15 -0.27 0.00 -2.93 0.00 0.00 61.98 57.64 1mio s VAL 476 Cb 0.00 -1.16 0.03 0.00 -1.53 0.00 0.00 36.38 33.72 1mio s VAL 476 CO 0.00 -0.01 1.33 -0.22 -3.33 0.00 0.00 175.10 172.87 1mio s LEU 477 N -1.33 3.19 -0.38 2.54 2.96 -1.25 -1.72 118.68 122.69 1mio s LEU 477 Ca 0.03 -0.48 -0.21 0.00 -0.22 0.00 0.00 54.13 53.24 1mio s LEU 477 Cb -0.09 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 44.05 1mio s LEU 477 CO 0.02 -1.85 0.68 -0.55 -1.32 0.00 0.00 176.35 173.33 1mio s SER 478 N 4.09 6.43 -0.16 3.68 0.15 -1.26 -0.99 113.70 125.65 1mio s SER 478 Ca 0.38 0.08 -0.11 0.00 0.70 0.00 0.00 55.95 56.99 1mio s SER 478 Cb -0.08 -2.34 -0.05 0.00 -1.71 0.00 0.00 66.02 61.84 1mio s SER 478 CO 0.13 -0.68 0.21 -0.54 1.20 0.00 0.00 173.24 173.56 1mio s LYS 479 N 2.86 4.05 -0.30 5.44 -0.14 -1.05 -4.92 119.74 125.68 1mio s LYS 479 Ca 0.26 -0.05 -0.22 0.00 -1.36 0.00 0.00 55.97 54.60 1mio s LYS 479 Cb -0.14 -3.37 -0.00 0.00 -1.68 0.00 0.00 37.83 32.64 1mio s LYS 479 CO 0.17 0.40 0.71 1.14 -0.76 0.00 0.00 175.35 177.01 1mio s GLN 480 N 0.04 3.96 0.13 1.68 -2.07 -1.26 -3.24 119.66 118.90 1mio s GLN 480 Ca 0.13 0.48 0.24 0.00 -1.82 0.00 0.00 55.36 54.39 1mio s GLN 480 Cb -0.12 -3.72 0.92 0.00 -1.09 0.00 0.00 33.01 29.00 1mio s GLN 480 CO 0.02 -0.61 1.74 1.28 -1.32 0.00 0.00 175.29 176.40 1mio n LEU 481 N 6.03 0.43 0.20 2.60 4.77 -1.16 -3.02 117.00 126.84 1mio n LEU 481 Ca 0.02 0.57 -0.09 0.00 -0.03 0.00 0.00 56.01 56.47 1mio n LEU 481 Cb 0.48 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1mio n LEU 481 CO 0.48 -0.24 0.25 0.45 -1.33 0.00 0.00 177.39 177.00 1mio h HIS 482 N 0.00 -0.53 -0.37 -1.77 3.86 -1.92 -3.38 115.15 111.04 1mio h HIS 482 Ca 0.00 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1mio h HIS 482 Cb 0.50 0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.12 1mio h HIS 482 CO 0.00 -0.30 0.02 0.43 0.86 0.00 0.00 177.93 178.94 1mio n SER 483 N -5.15 4.16 0.00 2.45 7.64 -1.26 -4.94 113.62 116.52 1mio n SER 483 Ca -0.07 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.71 1mio n SER 483 Cb 0.24 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1mio n SER 483 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1mio n TYR 484 N -0.35 0.00 -3.73 1.43 4.01 -1.17 -1.00 117.16 116.35 1mio n TYR 484 Ca 0.26 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.78 1mio n TYR 484 Cb 1.01 -1.18 0.03 0.00 -0.31 0.00 0.00 39.34 38.88 1mio n TYR 484 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1mio n ASP 485 N 0.31 -1.07 -2.12 7.72 8.00 -1.23 -3.38 116.55 124.79 1mio n ASP 485 Ca 0.00 -0.84 -0.19 0.00 0.71 0.00 0.00 54.79 54.47 1mio n ASP 485 Cb 0.12 -3.95 -0.01 0.00 -0.02 0.00 0.00 41.12 37.26 1mio n ASP 485 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1mio n TYR 486 N -4.29 -0.87 -4.01 1.24 4.01 -0.17 -4.98 117.16 108.10 1mio n TYR 486 Ca -0.30 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.39 1mio n TYR 486 Cb 0.68 -3.66 -0.01 0.00 -0.31 0.00 0.00 39.34 36.04 1mio n TYR 486 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1mio n ASN 487 N -1.56 2.03 0.00 7.72 3.02 -1.22 -5.15 115.26 120.11 1mio n ASN 487 Ca -0.22 -1.33 0.00 0.00 -0.03 0.00 0.00 54.58 53.00 1mio n ASN 487 Cb 0.67 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.88 1mio n ASN 487 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mio n GLY 488 N 4.06 3.83 3.75 7.41 0.00 -1.26 -4.70 105.19 118.28 1mio n GLY 488 Ca -0.03 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 1mio n GLY 488 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1mio s PRO 489 N -2.57 2.84 0.00 1.61 0.02 -1.13 -4.97 135.00 130.80 1mio s PRO 489 Ca 0.00 1.69 0.12 0.00 0.02 0.00 0.00 61.00 62.83 1mio s PRO 489 Cb 0.00 -1.93 0.07 0.00 0.02 0.00 0.00 34.50 32.66 1mio s PRO 489 CO 0.00 -1.28 0.83 0.66 -0.33 0.00 0.00 177.00 176.88 1mio n TYR 490 N -1.93 0.00 -2.76 6.54 4.01 -1.26 -4.16 117.16 117.59 1mio n TYR 490 Ca 0.13 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.65 1mio n TYR 490 Cb 0.50 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.56 1mio n TYR 490 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1mio s ALA 491 N -1.15 3.83 0.32 -0.72 0.00 -1.26 -3.86 121.76 118.93 1mio s ALA 491 Ca 0.13 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1mio s ALA 491 Cb 0.10 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.11 1mio s ALA 491 CO 0.19 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1mio n GLY 492 N -2.25 -2.07 0.33 0.00 0.00 -0.05 -0.94 105.19 100.21 1mio n GLY 492 Ca 0.06 -1.21 0.06 0.00 0.00 0.00 0.00 46.02 44.93 1mio n GLY 492 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1mio h PHE 493 N -1.11 0.56 0.01 1.61 0.04 -1.91 -1.31 116.94 114.83 1mio h PHE 493 Ca -0.01 0.01 -0.21 0.00 2.80 0.00 0.00 57.97 60.56 1mio h PHE 493 Cb 1.09 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 39.05 1mio h PHE 493 CO -1.74 0.32 -0.93 -0.09 -0.60 0.00 0.00 178.31 175.27 1mio h ARG 494 N 0.57 0.30 -0.20 1.51 9.65 -1.96 -3.29 114.38 120.96 1mio h ARG 494 Ca 0.22 -0.33 -0.14 0.00 -1.10 0.00 0.00 59.98 58.63 1mio h ARG 494 Cb 0.16 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1mio h ARG 494 CO -0.06 1.04 -0.42 0.78 2.80 0.00 0.00 179.97 184.11 1mio h GLY 495 N 1.56 0.70 -1.00 2.80 0.00 0.03 -3.06 103.07 104.10 1mio h GLY 495 Ca -0.07 -0.84 0.42 0.00 0.00 0.00 0.00 47.33 46.85 1mio h GLY 495 CO 0.15 0.75 0.88 -2.08 0.00 0.00 0.00 176.54 176.24 1mio h VAL 496 N 0.32 0.19 0.00 4.60 2.07 -1.40 0.27 116.25 122.31 1mio h VAL 496 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1mio h VAL 496 Cb 1.02 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1mio h VAL 496 CO 0.09 0.02 -0.87 -0.37 0.02 0.00 0.00 177.57 176.47 1mio h VAL 497 N 0.11 0.00 0.00 2.57 -1.51 -1.60 -1.01 116.25 114.81 1mio h VAL 497 Ca 0.78 -0.96 -0.03 0.00 -1.23 0.00 0.00 66.70 65.26 1mio h VAL 497 Cb 2.51 1.52 -0.00 0.00 -2.13 0.00 0.00 31.29 33.19 1mio h VAL 497 CO -0.33 0.00 -0.17 0.78 -1.23 0.00 0.00 177.57 176.61 1mio h ASN 498 N 0.00 0.00 -0.39 4.19 2.35 -0.91 -2.83 115.58 117.99 1mio h ASN 498 Ca 0.00 -0.76 0.08 0.00 -0.55 0.00 0.00 56.30 55.08 1mio h ASN 498 Cb 0.98 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.27 1mio h ASN 498 CO 0.00 0.98 -0.15 0.15 -1.65 0.00 0.00 177.43 176.76 1mio h PHE 499 N -1.00 -0.35 -0.34 1.19 3.57 -0.67 -1.18 116.94 118.15 1mio h PHE 499 Ca -0.04 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.57 1mio h PHE 499 Cb 0.87 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.75 1mio h PHE 499 CO 0.20 -0.23 -0.22 0.78 -2.23 0.00 0.00 178.31 176.62 1mio h GLY 500 N -0.07 -0.01 1.17 2.40 0.00 -1.26 -2.73 103.07 102.57 1mio h GLY 500 Ca 0.19 0.27 -0.23 0.00 0.00 0.00 0.00 47.33 47.57 1mio h GLY 500 CO -0.44 -0.20 -0.79 0.45 0.00 0.00 0.00 176.54 175.56 1mio h HIS 501 N -0.17 1.07 -0.98 5.60 3.86 -1.13 -1.94 115.15 121.46 1mio h HIS 501 Ca 0.17 -0.48 0.15 0.00 -1.16 0.00 0.00 60.37 59.05 1mio h HIS 501 Cb 0.44 -0.16 -0.09 0.00 1.06 0.00 0.00 27.41 28.66 1mio h HIS 501 CO -0.42 1.32 0.61 0.93 0.86 0.00 0.00 177.93 181.23 1mio h GLU 502 N 0.52 0.83 0.34 2.45 4.39 -1.15 -0.28 114.58 121.67 1mio h GLU 502 Ca -0.06 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1mio h GLU 502 Cb 1.43 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1mio h GLU 502 CO 0.16 0.55 -0.16 1.25 -1.16 0.00 0.00 179.01 179.65 1mio h LEU 503 N 0.85 -0.39 -0.91 1.33 5.85 -1.44 -1.92 115.31 118.68 1mio h LEU 503 Ca 0.51 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.23 1mio h LEU 503 Cb 0.67 0.10 -0.12 0.00 0.37 0.00 0.00 40.66 41.68 1mio h LEU 503 CO -0.28 0.07 -0.58 0.58 -0.34 0.00 0.00 178.44 177.89 1mio h VAL 504 N -1.06 0.00 -0.77 1.05 2.07 -0.83 -1.46 116.25 115.25 1mio h VAL 504 Ca -0.05 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.64 1mio h VAL 504 Cb 0.45 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.10 1mio h VAL 504 CO 0.08 0.00 0.23 0.78 0.02 0.00 0.00 177.57 178.67 1mio h ASN 505 N -0.06 0.09 -0.33 0.57 4.21 -1.17 -1.47 115.58 117.41 1mio h ASN 505 Ca 0.15 0.15 -0.04 0.00 1.21 0.00 0.00 56.30 57.77 1mio h ASN 505 Cb 0.44 0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.80 1mio h ASN 505 CO -0.89 -0.02 0.10 1.23 -1.29 0.00 0.00 177.43 176.56 1mio h GLY 506 N 0.31 0.64 0.15 2.83 0.00 -0.45 -3.07 103.07 103.49 1mio h GLY 506 Ca 0.44 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 1mio h GLY 506 CO -0.51 0.32 -0.39 -2.22 0.00 0.00 0.00 176.54 173.73 1mio h ILE 507 N 0.59 1.59 0.00 2.60 2.04 -0.77 -3.33 117.51 120.23 1mio h ILE 507 Ca 0.14 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.63 1mio h ILE 507 Cb 0.22 3.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.46 1mio h ILE 507 CO -0.00 0.59 0.00 -1.22 0.00 0.00 0.00 178.15 177.52 1mio n TYR 508 N -4.46 0.00 -3.02 1.37 4.01 -0.61 -4.86 117.16 109.59 1mio n TYR 508 Ca -0.15 -0.91 -0.41 0.00 -0.16 0.00 0.00 57.90 56.28 1mio n TYR 508 Cb 0.59 -0.46 -0.06 0.00 -0.31 0.00 0.00 39.34 39.11 1mio n TYR 508 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1mio s THR 509 N 0.04 4.89 0.19 -0.72 2.01 -1.16 -4.93 115.64 115.96 1mio s THR 509 Ca 0.00 1.18 -0.15 0.00 0.31 0.00 0.00 61.69 63.02 1mio s THR 509 Cb 0.00 -4.05 0.18 0.00 0.01 0.00 0.00 72.50 68.64 1mio s THR 509 CO 0.00 -0.11 1.64 1.55 -0.69 0.00 0.00 174.62 177.01 1mio h PRO 510 N 7.98 -0.01 0.00 4.92 0.13 -1.90 -1.60 132.00 141.52 1mio h PRO 510 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1mio h PRO 510 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1mio h PRO 510 CO 0.83 -0.01 0.08 0.00 -0.23 0.00 0.00 178.00 178.68 1mio h ALA 511 N 1.50 1.06 -0.96 -0.56 0.00 -1.96 -2.95 119.26 115.40 1mio h ALA 511 Ca 0.26 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1mio h ALA 511 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1mio h ALA 511 CO -0.56 -0.06 0.63 -1.49 0.00 0.00 0.00 179.25 177.76 1mio h TRP 512 N 0.00 1.18 0.00 0.00 -0.00 -1.68 -0.77 115.95 114.68 1mio h TRP 512 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 1mio h TRP 512 Cb 0.17 -0.39 0.00 0.00 -0.00 0.00 0.00 29.16 28.93 1mio h TRP 512 CO 0.00 0.70 0.00 1.63 -0.00 0.00 0.00 178.44 180.77 1mio n LYS 513 N -4.46 0.24 -2.10 0.49 4.01 -1.11 -3.91 118.16 111.32 1mio n LYS 513 Ca 0.12 0.02 -0.24 0.00 -0.51 0.00 0.00 58.31 57.70 1mio n LYS 513 Cb 0.07 -1.50 0.02 0.00 -0.51 0.00 0.00 35.03 33.11 1mio n LYS 513 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1mio n MET 514 N -1.37 3.57 0.05 1.97 0.00 -0.30 -4.66 117.12 116.38 1mio n MET 514 Ca 0.11 -4.22 -0.06 0.00 0.00 0.00 0.00 57.70 53.53 1mio n MET 514 Cb 0.27 -2.27 -0.11 0.00 0.00 0.00 0.00 33.22 31.11 1mio n MET 514 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1mio h ILE 515 N 2.27 1.40 -3.38 3.17 2.04 -1.68 -3.44 117.51 117.89 1mio h ILE 515 Ca 0.35 -3.10 -0.60 0.00 1.00 0.00 0.00 64.86 62.51 1mio h ILE 515 Cb 1.44 2.68 -0.11 0.00 -0.74 0.00 0.00 36.82 40.08 1mio h ILE 515 CO 0.77 0.80 -0.37 -0.89 0.00 0.00 0.00 178.15 178.46 1mio s THR 516 N -2.71 5.32 0.31 -0.27 2.01 -1.26 -5.07 115.64 113.97 1mio s THR 516 Ca -0.00 0.44 -0.28 0.00 0.31 0.00 0.00 61.69 62.16 1mio s THR 516 Cb 0.09 -3.59 -0.09 0.00 0.01 0.00 0.00 72.50 68.92 1mio s THR 516 CO 0.81 0.37 1.08 -2.16 -0.69 0.00 0.00 174.62 174.03 1mio s PRO 517 N 0.71 4.52 0.09 4.92 0.04 -1.26 -4.90 135.00 139.11 1mio s PRO 517 Ca 0.14 1.71 -0.04 0.00 0.04 0.00 0.00 61.00 62.85 1mio s PRO 517 Cb -0.13 -3.01 0.13 0.00 0.04 0.00 0.00 34.50 31.53 1mio s PRO 517 CO 0.03 0.13 0.53 -0.35 0.04 0.00 0.00 177.00 177.38 1mio n PRO 518 N 0.85 -0.05 0.24 0.56 -0.04 -1.26 -1.22 135.00 134.08 1mio n PRO 518 Ca 0.01 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 1mio n PRO 518 Cb 0.46 -0.78 0.52 0.00 -0.04 0.00 0.00 33.50 33.66 1mio n PRO 518 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1mio h TRP 519 N 0.00 0.00 0.00 0.54 0.09 -1.92 -1.13 115.95 113.54 1mio h TRP 519 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.13 1mio h TRP 519 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.47 1mio h TRP 519 CO -0.27 0.13 -0.05 0.87 0.09 0.00 0.00 178.44 179.20 1mio h LYS 520 N 0.00 0.00 0.00 0.12 1.79 -1.46 -0.42 116.57 116.60 1mio h LYS 520 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1mio h LYS 520 Cb 0.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1mio h LYS 520 CO 0.02 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.02 1mio n LYS 521 N -2.56 0.08 0.00 3.15 4.76 -0.72 -4.34 118.16 118.53 1mio n LYS 521 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1mio n LYS 521 Cb 0.03 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 1mio n LYS 521 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mio n ALA 522 N -0.55 0.00 -0.92 7.82 0.00 -1.05 -5.00 120.51 120.82 1mio n ALA 522 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1mio n ALA 522 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1mio n ALA 522 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1mio n SER 523 N -0.82 5.01 0.29 0.00 3.41 -0.45 -4.75 113.62 116.30 1mio n SER 523 Ca 0.00 -2.38 0.03 0.00 -0.26 0.00 0.00 58.87 56.25 1mio n SER 523 Cb 0.00 -1.28 0.15 0.00 -0.26 0.00 0.00 64.21 62.82 1mio n SER 523 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1mio h SER 524 N 3.57 0.00 -1.06 4.04 0.02 -1.26 0.67 113.55 119.52 1mio h SER 524 Ca 0.24 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.76 1mio h SER 524 Cb 1.22 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.35 1mio h SER 524 CO 0.42 0.00 -1.03 -0.62 -1.14 0.00 0.00 176.83 174.47 1mio n GLU 525 N -2.40 2.06 0.00 3.45 4.71 -1.26 -5.01 120.64 122.19 1mio n GLU 525 Ca -0.00 -3.72 0.00 0.00 -0.01 0.00 0.00 57.16 53.43 1mio n GLU 525 Cb 0.82 -1.66 0.00 0.00 -1.01 0.00 0.00 31.44 29.59 1mio n GLU 525 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09