#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kom s ILE 5 N 0.00 4.28 0.26 0.44 1.01 -1.26 -5.08 121.20 120.86 3kom s ILE 5 Ca 0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 3kom s ILE 5 Cb 0.00 -3.35 -0.11 0.00 0.01 0.00 0.00 42.46 39.01 3kom s ILE 5 CO 0.00 -0.13 1.57 -2.84 0.00 0.00 0.00 174.94 173.54 3kom s PRO 6 N 1.51 4.16 0.60 2.79 0.02 -1.26 -4.87 135.00 137.95 3kom s PRO 6 Ca 0.01 2.51 0.29 0.00 0.02 0.00 0.00 61.00 63.83 3kom s PRO 6 Cb -0.19 -3.06 1.57 0.00 0.02 0.00 0.00 34.50 32.84 3kom s PRO 6 CO 0.05 -0.60 1.97 0.00 -0.33 0.00 0.00 177.00 178.09 3kom h ARG 7 N 5.25 0.00 -0.90 5.54 -0.00 -2.00 0.05 114.38 122.31 3kom h ARG 7 Ca -0.46 0.00 0.14 0.00 -0.50 0.00 0.00 59.98 59.16 3kom h ARG 7 Cb 1.22 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 31.11 3kom h ARG 7 CO 0.82 0.00 0.58 1.49 0.00 0.00 0.00 179.97 182.86 3kom h GLU 8 N 0.00 0.70 -0.13 0.04 4.81 -1.93 0.97 114.58 119.04 3kom h GLU 8 Ca 0.14 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.19 3kom h GLU 8 Cb 0.87 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3kom h GLU 8 CO -0.00 0.47 -0.50 0.74 -0.73 0.00 0.00 179.01 178.99 3kom h PHE 9 N 0.73 0.42 0.03 0.92 0.04 -1.35 -2.37 116.94 115.36 3kom h PHE 9 Ca 0.45 -0.14 -0.25 0.00 2.80 0.00 0.00 57.97 60.84 3kom h PHE 9 Cb 0.69 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.73 3kom h PHE 9 CO -0.00 0.78 -1.26 0.66 -0.60 0.00 0.00 178.31 177.89 3kom h SER 10 N 0.28 0.10 -0.03 2.17 4.64 -1.53 -3.27 113.55 115.91 3kom h SER 10 Ca 0.01 -0.13 0.01 0.00 -0.47 0.00 0.00 61.79 61.21 3kom h SER 10 Cb 0.97 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3kom h SER 10 CO 0.08 1.10 0.04 0.78 -0.87 0.00 0.00 176.83 177.96 3kom h ASN 11 N 0.02 0.00 -0.71 4.97 2.35 -0.57 -1.20 115.58 120.44 3kom h ASN 11 Ca -0.12 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.74 3kom h ASN 11 Cb 1.88 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 40.17 3kom h ASN 11 CO 0.13 0.00 0.33 0.00 -1.65 0.00 0.00 177.43 176.24 3kom h ALA 12 N 1.95 0.97 -0.64 -0.83 0.00 -1.48 -0.69 119.26 118.55 3kom h ALA 12 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kom h ALA 12 Cb 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3kom h ALA 12 CO -0.00 -0.09 0.36 0.82 0.00 0.00 0.00 179.25 180.34 3kom h ILE 13 N 0.55 1.20 -0.19 0.00 2.04 -1.41 -1.68 117.51 118.02 3kom h ILE 13 Ca 0.36 -0.49 0.03 0.00 1.00 0.00 0.00 64.86 65.76 3kom h ILE 13 Cb 0.42 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 3kom h ILE 13 CO -0.30 0.21 0.01 0.03 0.00 0.00 0.00 178.15 178.11 3kom h ARG 14 N 0.87 0.07 0.01 2.37 3.08 -1.20 -1.70 114.38 117.88 3kom h ARG 14 Ca 0.23 -0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.02 3kom h ARG 14 Cb 0.02 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.07 3kom h ARG 14 CO -0.04 0.05 -1.01 0.74 -1.07 0.00 0.00 179.97 178.64 3kom h PHE 15 N 0.07 0.85 -0.77 3.04 0.04 -1.07 -0.05 116.94 119.06 3kom h PHE 15 Ca 0.09 -0.47 0.08 0.00 2.80 0.00 0.00 57.97 60.47 3kom h PHE 15 Cb 0.10 -0.09 -0.07 0.00 2.20 0.00 0.00 35.95 38.09 3kom h PHE 15 CO -0.16 1.30 0.43 -0.07 -0.60 0.00 0.00 178.31 179.21 3kom h LEU 16 N 0.31 0.63 -0.39 1.54 3.38 -1.28 0.14 115.31 119.64 3kom h LEU 16 Ca -0.11 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3kom h LEU 16 Cb 1.66 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 3kom h LEU 16 CO 0.19 0.38 -0.06 0.28 0.09 0.00 0.00 178.44 179.32 3kom h SER 17 N 0.76 0.72 -0.31 -0.43 0.02 -1.06 -1.01 113.55 112.23 3kom h SER 17 Ca 0.36 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3kom h SER 17 Cb 0.29 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3kom h SER 17 CO -0.22 0.89 0.08 0.40 -1.14 0.00 0.00 176.83 176.84 3kom h ILE 18 N 0.53 1.22 -0.36 3.27 2.04 -0.72 -2.54 117.51 120.94 3kom h ILE 18 Ca 0.10 -0.72 -0.12 0.00 1.00 0.00 0.00 64.86 65.12 3kom h ILE 18 Cb 0.56 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3kom h ILE 18 CO 0.03 0.24 -0.26 0.44 0.00 0.00 0.00 178.15 178.60 3kom h ASP 19 N 0.35 0.85 -0.58 1.72 3.32 -0.94 -1.34 116.42 119.80 3kom h ASP 19 Ca 0.10 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 3kom h ASP 19 Cb 0.28 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3kom h ASP 19 CO 0.00 1.11 0.31 0.00 -1.72 0.00 0.00 179.24 178.93 3kom h ALA 20 N 0.77 0.74 -0.14 3.45 0.00 -1.20 -1.93 119.26 120.95 3kom h ALA 20 Ca 0.07 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 3kom h ALA 20 Cb 0.83 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3kom h ALA 20 CO 0.07 0.26 -0.66 1.79 0.00 0.00 0.00 179.25 180.72 3kom h THR 21 N 0.78 1.34 -0.39 0.00 1.35 -1.33 -1.46 112.91 113.20 3kom h THR 21 Ca 0.20 -1.96 0.02 0.00 -0.55 0.00 0.00 66.41 64.12 3kom h THR 21 Cb 0.06 1.94 -0.03 0.00 -1.73 0.00 0.00 68.15 68.39 3kom h THR 21 CO -0.03 0.60 0.23 0.25 -0.25 0.00 0.00 175.52 176.32 3kom h LEU 22 N 0.39 0.36 -0.34 3.87 6.46 -1.18 -0.95 115.31 123.92 3kom h LEU 22 Ca -0.02 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.68 3kom h LEU 22 Cb 1.23 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 3kom h LEU 22 CO 0.12 0.26 -0.06 0.50 -0.62 0.00 0.00 178.44 178.64 3kom h LYS 23 N 0.46 0.64 0.00 1.25 3.64 -1.23 -2.39 116.57 118.94 3kom h LYS 23 Ca 0.16 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3kom h LYS 23 Cb 0.02 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3kom h LYS 23 CO -0.08 0.80 -0.01 0.00 -2.27 0.00 0.00 179.45 177.89 3kom h ALA 24 N 0.82 1.02 -5.26 5.00 0.00 -1.21 -3.46 119.26 116.16 3kom h ALA 24 Ca 0.09 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.60 3kom h ALA 24 Cb 0.55 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3kom h ALA 24 CO 0.03 0.01 -0.57 1.63 0.00 0.00 0.00 179.25 180.35 3kom n LYS 25 N -3.12 -3.79 -3.55 0.00 5.02 -0.38 -4.94 118.16 107.40 3kom n LYS 25 Ca -0.01 0.57 -0.14 0.00 -2.02 0.00 0.00 58.31 56.71 3kom n LYS 25 Cb 0.18 -5.32 -0.06 0.00 -0.02 0.00 0.00 35.03 29.81 3kom n LYS 25 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3kom s SER 26 N -2.73 -0.51 0.00 4.39 0.15 -1.13 -4.97 113.70 108.90 3kom s SER 26 Ca 0.39 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.62 3kom s SER 26 Cb -0.20 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 3kom s SER 26 CO 0.48 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 175.07 3kom n GLY 27 N 0.89 0.80 2.77 9.45 0.00 -1.26 -4.58 105.19 113.25 3kom n GLY 27 Ca -0.14 -2.09 -0.25 0.00 0.00 0.00 0.00 46.02 43.54 3kom n GLY 27 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kom s HIS 28 N -1.35 0.82 -1.21 1.61 0.09 -1.26 -3.70 115.29 110.29 3kom s HIS 28 Ca 0.00 -0.41 0.25 0.00 -0.00 0.00 0.00 55.06 54.90 3kom s HIS 28 Cb 0.00 -0.90 0.44 0.00 -0.00 0.00 0.00 32.58 32.13 3kom s HIS 28 CO 0.00 -0.43 1.37 -0.35 -0.00 0.00 0.00 174.74 175.33 3kom n PRO 29 N 5.11 0.24 0.00 8.40 -0.04 -1.26 -4.48 135.00 142.96 3kom n PRO 29 Ca -0.08 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 3kom n PRO 29 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3kom n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kom n GLY 30 N 1.46 0.00 0.80 0.55 0.00 -1.26 -4.67 105.19 102.08 3kom n GLY 30 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 3kom n GLY 30 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kom n PRO 32 N -0.20 -1.15 -0.08 1.61 -0.02 -1.26 -2.70 135.00 131.20 3kom n PRO 32 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3kom n PRO 32 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 3kom n PRO 32 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kom n GLY 34 N -0.10 0.00 3.66 -1.23 0.00 -1.26 -4.77 105.19 101.49 3kom n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kom n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kom n ALA 36 N -0.08 0.00 -0.04 4.61 0.00 -1.26 -4.63 120.51 119.12 3kom n ALA 36 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3kom n ALA 36 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3kom n ALA 36 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kom h ASP 37 N 0.00 0.87 -0.25 0.00 3.32 -1.88 -1.02 116.42 117.45 3kom h ASP 37 Ca 0.00 -0.60 0.02 0.00 0.02 0.00 0.00 57.03 56.47 3kom h ASP 37 Cb 0.00 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3kom h ASP 37 CO 0.00 1.32 0.11 0.40 -1.72 0.00 0.00 179.24 179.35 3kom h ILE 38 N 0.46 0.98 -0.59 0.35 2.04 -1.88 -2.14 117.51 116.72 3kom h ILE 38 Ca -0.03 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.76 3kom h ILE 38 Cb 1.26 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 3kom h ILE 38 CO 0.13 0.04 0.39 0.00 0.00 0.00 0.00 178.15 178.72 3kom h ALA 39 N 1.14 0.75 -0.34 1.87 0.00 -1.94 -1.37 119.26 119.37 3kom h ALA 39 Ca 0.10 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3kom h ALA 39 Cb 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3kom h ALA 39 CO -0.08 0.17 0.14 1.15 0.00 0.00 0.00 179.25 180.63 3kom h THR 40 N 0.79 0.95 -0.13 0.00 2.02 -1.01 0.54 112.91 116.06 3kom h THR 40 Ca 0.22 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 3kom h THR 40 Cb -0.07 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3kom h THR 40 CO -0.06 0.06 0.06 0.58 0.37 0.00 0.00 175.52 176.53 3kom h VAL 41 N 0.30 1.13 0.11 3.16 2.07 -1.20 -1.50 116.25 120.32 3kom h VAL 41 Ca 0.15 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3kom h VAL 41 Cb 0.09 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3kom h VAL 41 CO -0.13 0.12 -0.13 0.25 0.02 0.00 0.00 177.57 177.70 3kom h LEU 42 N 0.08 -0.35 -0.33 2.57 5.85 -0.89 -1.44 115.31 120.80 3kom h LEU 42 Ca 0.05 0.04 -0.19 0.00 0.84 0.00 0.00 57.88 58.61 3kom h LEU 42 Cb 0.13 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3kom h LEU 42 CO -0.01 -0.20 -0.71 -0.50 -0.34 0.00 0.00 178.44 176.68 3kom h TRP 43 N -0.28 0.78 0.00 1.25 4.06 -0.90 -0.88 115.95 119.98 3kom h TRP 43 Ca 0.01 -0.33 -0.05 0.00 2.06 0.00 0.00 58.89 60.58 3kom h TRP 43 Cb 0.28 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 3kom h TRP 43 CO -0.14 1.12 -1.18 0.25 -3.56 0.00 0.00 178.44 174.93 3kom n THR 44 N -3.90 0.74 0.12 1.49 -2.24 -0.57 -3.89 114.28 106.04 3kom n THR 44 Ca -0.05 -0.59 0.06 0.00 -2.27 0.00 0.00 64.05 61.20 3kom n THR 44 Cb 0.70 -0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 68.43 3kom n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kom n LYS 45 N -2.71 1.05 0.00 -0.78 4.76 -0.55 -4.90 118.16 115.04 3kom n LYS 45 Ca -0.03 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 3kom n LYS 45 Cb 0.63 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 3kom n LYS 45 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3kom n PHE 46 N -1.75 0.00 -1.68 2.13 3.01 -0.72 -5.06 117.46 113.39 3kom n PHE 46 Ca -0.01 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 57.99 3kom n PHE 46 Cb 0.27 0.14 -0.04 0.00 -0.01 0.00 0.00 39.48 39.84 3kom n PHE 46 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 3kom n LEU 47 N -2.55 3.53 -4.47 4.37 7.94 -0.42 -4.93 117.00 120.46 3kom n LEU 47 Ca 0.00 1.01 -0.43 0.00 -1.11 0.00 0.00 56.01 55.48 3kom n LEU 47 Cb 0.29 -1.45 -0.06 0.00 0.53 0.00 0.00 43.42 42.73 3kom n LEU 47 CO 0.00 -0.06 0.38 -0.75 -1.11 0.00 0.00 177.39 175.85 3kom s LYS 48 N 2.57 3.18 0.19 1.96 2.20 -1.26 -4.95 119.74 123.62 3kom s LYS 48 Ca 0.84 -0.70 -0.19 0.00 -0.36 0.00 0.00 55.97 55.56 3kom s LYS 48 Cb -0.62 -4.05 0.04 0.00 -1.51 0.00 0.00 37.83 31.69 3kom s LYS 48 CO 0.42 -1.18 0.55 -3.38 -0.36 0.00 0.00 175.35 171.40 3kom s HIS 49 N 2.79 -0.25 -0.27 4.03 -3.43 -1.26 -1.29 115.29 115.60 3kom s HIS 49 Ca 0.18 -0.06 -0.01 0.00 -0.80 0.00 0.00 55.06 54.37 3kom s HIS 49 Cb -0.17 0.46 0.08 0.00 -1.43 0.00 0.00 32.58 31.52 3kom s HIS 49 CO 0.14 -0.91 0.06 1.21 -2.00 0.00 0.00 174.74 173.24 3kom s ASN 50 N -2.84 3.76 0.58 7.38 2.47 -1.26 -4.28 114.94 120.76 3kom s ASN 50 Ca 0.06 -1.39 0.28 0.00 0.42 0.00 0.00 52.86 52.23 3kom s ASN 50 Cb -0.01 -0.88 1.66 0.00 -1.45 0.00 0.00 41.25 40.56 3kom s ASN 50 CO -0.06 -0.36 2.14 -0.65 -3.72 0.00 0.00 177.10 174.46 3kom h PRO 51 N 8.08 0.00 0.00 0.43 0.11 -1.88 0.82 132.00 139.57 3kom h PRO 51 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3kom h PRO 51 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3kom h PRO 51 CO 0.43 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.51 3kom n ASN 52 N -3.91 0.68 -3.40 -2.05 4.05 -1.26 -4.36 115.26 105.01 3kom n ASN 52 Ca 0.00 0.60 -0.24 0.00 0.45 0.00 0.00 54.58 55.39 3kom n ASN 52 Cb 0.25 -0.77 -0.10 0.00 1.23 0.00 0.00 39.78 40.40 3kom n ASN 52 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 3kom s ASN 53 N -4.26 2.00 0.00 1.20 2.47 0.28 -4.98 114.94 111.65 3kom s ASN 53 Ca 0.08 -2.18 0.12 0.00 0.42 0.00 0.00 52.86 51.30 3kom s ASN 53 Cb 0.12 -0.05 0.61 0.00 -1.45 0.00 0.00 41.25 40.47 3kom s ASN 53 CO 0.51 -0.26 1.25 -2.65 -3.72 0.00 0.00 177.10 172.23 3kom n PRO 54 N 3.82 0.20 -0.32 0.43 -0.02 -1.22 -1.82 135.00 136.08 3kom n PRO 54 Ca 0.16 0.14 0.09 0.00 -2.02 0.00 0.00 63.50 61.87 3kom n PRO 54 Cb 0.42 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.67 3kom n PRO 54 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3kom n HIS 55 N -1.23 0.82 -1.68 6.00 8.25 -1.26 -4.80 115.22 121.32 3kom n HIS 55 Ca 0.06 -0.51 -0.47 0.00 -0.26 0.00 0.00 57.72 56.54 3kom n HIS 55 Cb 0.08 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.12 3kom n HIS 55 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 3kom n TRP 56 N 1.20 2.32 0.15 4.41 -0.00 -0.76 -4.83 117.44 119.94 3kom n TRP 56 Ca 0.20 0.09 0.05 0.00 -0.00 0.00 0.00 57.50 57.84 3kom n TRP 56 Cb 0.57 -2.62 0.49 0.00 -0.00 0.00 0.00 31.31 29.75 3kom n TRP 56 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 3kom h ILE 57 N 4.69 1.09 -0.52 5.87 2.04 -1.94 -2.47 117.51 126.27 3kom h ILE 57 Ca -0.47 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3kom h ILE 57 Cb 1.26 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 3kom h ILE 57 CO 0.92 0.12 0.00 -3.20 0.00 0.00 0.00 178.15 175.99 3kom n ASN 58 N -4.42 4.41 -4.76 1.72 4.05 -1.26 -4.98 115.26 110.02 3kom n ASN 58 Ca -0.01 -2.53 -0.37 0.00 0.45 0.00 0.00 54.58 52.12 3kom n ASN 58 Cb 0.15 -0.53 0.02 0.00 1.23 0.00 0.00 39.78 40.65 3kom n ASN 58 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kom s ARG 59 N -1.98 3.35 0.57 1.20 1.70 -0.93 -4.69 118.95 118.16 3kom s ARG 59 Ca 0.46 2.00 -0.20 0.00 -0.47 0.00 0.00 55.73 57.51 3kom s ARG 59 Cb 0.31 -2.27 -0.05 0.00 -0.57 0.00 0.00 34.95 32.38 3kom s ARG 59 CO 0.20 -0.95 1.23 -0.25 -1.08 0.00 0.00 175.30 174.45 3kom n ASP 60 N -0.90 2.03 -4.63 -2.89 8.00 -0.42 -4.80 116.55 112.94 3kom n ASP 60 Ca 0.10 0.91 -0.34 0.00 0.71 0.00 0.00 54.79 56.17 3kom n ASP 60 Cb 0.47 -1.51 -0.10 0.00 -0.02 0.00 0.00 41.12 39.96 3kom n ASP 60 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3kom s ARG 61 N -2.89 3.85 -0.08 -1.24 3.00 -0.87 -4.90 118.95 115.82 3kom s ARG 61 Ca 0.74 -0.36 0.02 0.00 0.00 0.00 0.00 55.73 56.13 3kom s ARG 61 Cb -0.42 -3.14 -0.02 0.00 0.00 0.00 0.00 34.95 31.36 3kom s ARG 61 CO 0.47 0.32 -0.12 0.12 0.00 0.00 0.00 175.30 176.09 3kom s PHE 62 N 0.21 2.78 -0.09 -0.53 5.36 -1.26 -0.66 117.98 123.79 3kom s PHE 62 Ca 0.03 -0.26 0.01 0.00 -0.96 0.00 0.00 56.93 55.75 3kom s PHE 62 Cb -0.12 -1.71 0.02 0.00 -0.34 0.00 0.00 43.02 40.87 3kom s PHE 62 CO 0.01 0.10 -0.09 0.08 -1.46 0.00 0.00 175.22 173.85 3kom s VAL 63 N -0.43 1.05 -0.66 3.12 1.01 0.14 -4.52 120.40 120.10 3kom s VAL 63 Ca 0.05 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 3kom s VAL 63 Cb -0.12 -1.02 0.10 0.00 0.00 0.00 0.00 36.38 35.34 3kom s VAL 63 CO 0.02 0.36 0.83 -0.22 0.00 0.00 0.00 175.10 176.08 3kom s LEU 64 N 1.23 5.14 0.09 3.92 2.96 -1.26 -1.02 118.68 129.74 3kom s LEU 64 Ca -0.04 -1.45 -0.07 0.00 -0.22 0.00 0.00 54.13 52.35 3kom s LEU 64 Cb -0.14 -2.34 -0.20 0.00 0.50 0.00 0.00 46.19 44.01 3kom s LEU 64 CO -0.03 -1.17 1.21 -1.28 -1.32 0.00 0.00 176.35 173.75 3kom h SER 65 N 9.19 0.59 -4.05 3.68 0.87 -1.50 -3.46 113.55 118.88 3kom h SER 65 Ca -0.22 -0.54 -0.47 0.00 -1.23 0.00 0.00 61.79 59.34 3kom h SER 65 Cb 1.07 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.86 3kom h SER 65 CO 1.11 1.36 0.38 0.54 -0.53 0.00 0.00 176.83 179.69 3kom s ASN 66 N -7.19 6.56 0.63 6.23 4.22 -1.20 -4.63 114.94 119.55 3kom s ASN 66 Ca -0.06 1.89 -0.07 0.00 -2.14 0.00 0.00 52.86 52.48 3kom s ASN 66 Cb 0.07 -2.56 0.02 0.00 1.28 0.00 0.00 41.25 40.06 3kom s ASN 66 CO 0.89 -0.63 0.96 -0.83 -2.04 0.00 0.00 177.10 175.45 3kom s GLY 67 N -1.95 1.62 -1.21 0.45 0.00 -1.26 -4.38 107.32 100.59 3kom s GLY 67 Ca 0.64 -0.64 -0.02 0.00 0.00 0.00 0.00 44.72 44.71 3kom s GLY 67 CO 0.20 -0.32 0.24 1.42 0.00 0.00 0.00 173.10 174.63 3kom n HIS 68 N -2.73 -1.10 -2.11 1.90 8.25 -1.26 -4.90 115.22 113.27 3kom n HIS 68 Ca 0.05 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 3kom n HIS 68 Cb 0.58 -3.36 -0.00 0.00 1.12 0.00 0.00 29.99 28.32 3kom n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kom n GLY 69 N -1.17 0.71 1.79 -1.41 0.00 -1.26 -4.58 105.19 99.27 3kom n GLY 69 Ca -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3kom n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kom n SER 70 N 0.11 0.00 0.00 1.61 7.64 -1.26 -3.94 113.62 117.78 3kom n SER 70 Ca -0.01 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.11 3kom n SER 70 Cb 0.76 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 3kom n SER 70 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3kom n LEU 72 N 1.76 0.00 -0.11 -3.43 7.94 -1.26 -2.14 117.00 119.76 3kom n LEU 72 Ca 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 3kom n LEU 72 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 3kom n LEU 72 CO 0.00 0.00 0.84 0.25 -1.11 0.00 0.00 177.39 177.37 3kom h LEU 73 N 0.00 0.48 -0.99 -1.96 5.85 -2.01 -1.67 115.31 115.01 3kom h LEU 73 Ca 0.00 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 3kom h LEU 73 Cb 0.00 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3kom h LEU 73 CO 0.00 0.59 0.44 1.88 -0.34 0.00 0.00 178.44 181.01 3kom h TYR 74 N 0.35 1.13 -0.52 1.25 0.05 -1.77 -0.65 116.97 116.81 3kom h TYR 74 Ca 0.10 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 3kom h TYR 74 Cb 0.29 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 3kom h TYR 74 CO 0.01 0.79 0.29 0.77 -1.05 0.00 0.00 178.16 178.98 3kom h SER 75 N 1.15 0.64 -0.33 3.88 0.02 -1.81 -0.56 113.55 116.55 3kom h SER 75 Ca 0.29 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3kom h SER 75 Cb 0.04 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3kom h SER 75 CO -0.05 0.54 0.10 -0.07 -1.14 0.00 0.00 176.83 176.22 3kom h LEU 76 N 0.69 0.49 -0.45 5.07 3.38 -0.75 -0.65 115.31 123.10 3kom h LEU 76 Ca 0.18 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3kom h LEU 76 Cb 0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3kom h LEU 76 CO -0.03 0.57 0.17 -0.07 0.09 0.00 0.00 178.44 179.17 3kom h LEU 77 N 0.39 0.63 0.01 1.67 3.38 -1.05 -1.92 115.31 118.41 3kom h LEU 77 Ca 0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kom h LEU 77 Cb 0.25 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3kom h LEU 77 CO -0.00 0.63 -0.00 -0.74 0.09 0.00 0.00 178.44 178.42 3kom h HIS 78 N 0.59 -0.01 -0.26 1.13 2.76 -0.96 -1.51 115.15 116.88 3kom h HIS 78 Ca 0.15 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.20 3kom h HIS 78 Cb 0.21 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 3kom h HIS 78 CO 0.00 0.04 -0.33 -0.07 -1.30 0.00 0.00 177.93 176.27 3kom h LEU 79 N -0.06 0.57 0.00 0.26 3.38 -1.01 -2.60 115.31 115.86 3kom h LEU 79 Ca -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3kom h LEU 79 Cb 0.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3kom h LEU 79 CO 0.00 0.87 0.00 0.35 0.09 0.00 0.00 178.44 179.75 3kom n THR 80 N -4.07 0.13 0.00 0.22 -2.24 -0.73 -3.31 114.28 104.29 3kom n THR 80 Ca -0.01 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3kom n THR 80 Cb 0.47 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 3kom n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kom n GLY 81 N 1.15 1.28 3.71 3.38 0.00 -0.98 -0.70 105.19 113.02 3kom n GLY 81 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3kom n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kom s TYR 82 N -2.00 2.23 -1.39 1.61 1.51 -0.59 -4.76 117.35 113.96 3kom s TYR 82 Ca 0.00 1.33 -0.14 0.00 -1.01 0.00 0.00 57.07 57.26 3kom s TYR 82 Cb 0.00 -3.16 -0.02 0.00 -0.11 0.00 0.00 41.96 38.67 3kom s TYR 82 CO 0.00 -2.45 2.36 -3.47 -1.11 0.00 0.00 175.55 170.89 3kom n ASP 83 N -3.93 4.94 -3.59 2.29 2.03 -1.26 -4.72 116.55 112.30 3kom n ASP 83 Ca 0.07 -2.73 -0.24 0.00 0.52 0.00 0.00 54.79 52.41 3kom n ASP 83 Cb 0.55 -1.54 -0.16 0.00 -0.72 0.00 0.00 41.12 39.24 3kom n ASP 83 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3kom s LEU 84 N 1.47 0.25 0.51 -2.67 0.20 -1.26 -4.73 118.68 112.45 3kom s LEU 84 Ca 0.53 -0.49 0.04 0.00 0.69 0.00 0.00 54.13 54.90 3kom s LEU 84 Cb 0.15 -0.12 0.03 0.00 -0.43 0.00 0.00 46.19 45.81 3kom s LEU 84 CO -0.05 -0.34 0.70 -0.94 -0.29 0.00 0.00 176.35 175.43 3kom s SER 85 N 2.18 5.39 0.23 3.68 1.04 -1.26 -4.41 113.70 120.55 3kom s SER 85 Ca 0.03 -0.19 -0.07 0.00 0.48 0.00 0.00 55.95 56.21 3kom s SER 85 Cb -0.16 -0.75 0.27 0.00 0.10 0.00 0.00 66.02 65.48 3kom s SER 85 CO -0.09 -1.02 1.87 0.40 0.98 0.00 0.00 173.24 175.38 3kom h ILE 86 N 0.27 1.11 -0.83 -1.02 1.08 -1.98 -1.18 117.51 114.96 3kom h ILE 86 Ca -0.41 -0.36 0.04 0.00 -0.39 0.00 0.00 64.86 63.75 3kom h ILE 86 Cb 1.29 -0.02 -0.05 0.00 -3.07 0.00 0.00 36.82 34.97 3kom h ILE 86 CO 0.49 0.19 0.53 -0.08 -0.69 0.00 0.00 178.15 178.59 3kom h GLU 87 N 1.04 0.98 -0.51 2.37 4.57 -1.98 0.12 114.58 121.17 3kom h GLU 87 Ca 0.35 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.48 3kom h GLU 87 Cb 0.04 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.39 3kom h GLU 87 CO -0.13 0.65 0.33 -0.44 -1.18 0.00 0.00 179.01 178.24 3kom h ASP 88 N 1.01 0.56 -0.16 1.04 3.32 -1.79 -1.94 116.42 118.46 3kom h ASP 88 Ca 0.34 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 3kom h ASP 88 Cb 0.06 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3kom h ASP 88 CO -0.13 0.40 -0.01 0.40 -1.72 0.00 0.00 179.24 178.18 3kom h ILE 89 N 0.67 1.17 0.00 0.35 2.04 -0.39 -0.48 117.51 120.87 3kom h ILE 89 Ca 0.19 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.37 3kom h ILE 89 Cb -0.05 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3kom h ILE 89 CO -0.05 0.23 0.00 0.29 0.00 0.00 0.00 178.15 178.61 3kom n LYS 90 N -4.31 0.06 -0.59 2.37 5.02 0.33 -2.08 118.16 118.95 3kom n LYS 90 Ca 0.01 0.31 0.03 0.00 -2.02 0.00 0.00 58.31 56.64 3kom n LYS 90 Cb 0.22 -1.62 0.22 0.00 -0.02 0.00 0.00 35.03 33.84 3kom n LYS 90 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kom n ASN 91 N -1.74 3.17 -4.59 4.39 3.02 -0.20 -4.89 115.26 114.41 3kom n ASN 91 Ca 0.03 -3.36 -0.53 0.00 -0.03 0.00 0.00 54.58 50.69 3kom n ASN 91 Cb 0.18 -0.58 -0.06 0.00 -0.61 0.00 0.00 39.78 38.71 3kom n ASN 91 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3kom n PHE 92 N -0.85 1.51 -1.26 3.10 7.35 -0.88 -1.63 117.46 124.79 3kom n PHE 92 Ca 0.27 0.65 -0.09 0.00 -0.76 0.00 0.00 57.45 57.52 3kom n PHE 92 Cb 0.95 -2.33 -0.04 0.00 0.35 0.00 0.00 39.48 38.41 3kom n PHE 92 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3kom n ARG 93 N 2.67 -0.99 -4.12 -4.13 1.74 -0.26 -4.73 116.66 106.83 3kom n ARG 93 Ca 0.19 0.76 -0.27 0.00 -0.77 0.00 0.00 57.85 57.76 3kom n ARG 93 Cb 0.18 -4.77 -0.07 0.00 -1.02 0.00 0.00 32.46 26.79 3kom n ARG 93 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3kom s GLN 94 N -2.53 2.69 0.25 5.56 -1.52 -0.65 -4.91 119.66 118.55 3kom s GLN 94 Ca 0.00 -0.92 -0.31 0.00 -1.95 0.00 0.00 55.36 52.18 3kom s GLN 94 Cb 0.00 -2.55 -0.12 0.00 -0.22 0.00 0.00 33.01 30.13 3kom s GLN 94 CO 0.00 0.49 1.67 -0.11 -0.25 0.00 0.00 175.29 177.09 3kom n LEU 95 N -0.05 4.17 0.00 2.90 7.94 -1.26 -1.74 117.00 128.96 3kom n LEU 95 Ca -0.09 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 3kom n LEU 95 Cb 0.54 -1.58 0.00 0.00 0.53 0.00 0.00 43.42 42.91 3kom n LEU 95 CO 0.41 0.17 0.00 1.41 -1.11 0.00 0.00 177.39 178.27 3kom n HIS 96 N 3.12 0.00 -1.61 1.96 8.25 -1.26 -5.01 115.22 120.67 3kom n HIS 96 Ca 0.13 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.28 3kom n HIS 96 Cb 0.36 -0.47 0.06 0.00 1.12 0.00 0.00 29.99 31.06 3kom n HIS 96 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3kom s SER 97 N -2.29 5.06 0.00 0.41 1.04 -0.71 -4.93 113.70 112.27 3kom s SER 97 Ca 0.00 1.42 0.13 0.00 0.48 0.00 0.00 55.95 57.99 3kom s SER 97 Cb 0.00 -2.24 0.72 0.00 0.10 0.00 0.00 66.02 64.60 3kom s SER 97 CO 0.00 -1.62 1.48 0.29 0.98 0.00 0.00 173.24 174.36 3kom n LYS 98 N -3.23 1.13 -3.17 4.02 5.02 -1.26 -4.25 118.16 116.43 3kom n LYS 98 Ca 0.07 -0.20 -0.23 0.00 -2.02 0.00 0.00 58.31 55.93 3kom n LYS 98 Cb 0.55 -1.22 -0.05 0.00 -0.02 0.00 0.00 35.03 34.29 3kom n LYS 98 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3kom n THR 99 N -0.51 1.00 -1.16 -0.18 -2.24 -1.26 -4.66 114.28 105.27 3kom n THR 99 Ca 0.10 -4.82 -0.30 0.00 -2.27 0.00 0.00 64.05 56.76 3kom n THR 99 Cb 0.09 -1.29 0.12 0.00 -2.10 0.00 0.00 70.33 67.16 3kom n THR 99 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kom s PRO 100 N -2.41 1.59 0.48 -0.78 0.04 -1.26 -1.10 135.00 131.56 3kom s PRO 100 Ca 0.41 1.04 0.15 0.00 0.04 0.00 0.00 61.00 62.64 3kom s PRO 100 Cb 0.25 -1.83 1.15 0.00 0.04 0.00 0.00 34.50 34.12 3kom s PRO 100 CO -0.09 -2.07 2.07 0.78 0.04 0.00 0.00 177.00 177.73 3kom h GLY 101 N -1.44 0.24 -4.54 0.56 0.00 -1.94 -3.39 103.07 92.56 3kom h GLY 101 Ca -0.47 -0.08 -0.69 0.00 0.00 0.00 0.00 47.33 46.10 3kom h GLY 101 CO 0.52 0.07 -0.88 0.30 0.00 0.00 0.00 176.54 176.54 3kom s HIS 102 N -5.22 2.27 0.32 5.60 3.76 -1.26 -4.53 115.29 116.24 3kom s HIS 102 Ca -0.06 -0.42 -0.29 0.00 -0.15 0.00 0.00 55.06 54.13 3kom s HIS 102 Cb 0.18 -1.43 -0.11 0.00 1.11 0.00 0.00 32.58 32.33 3kom s HIS 102 CO 0.71 0.01 1.47 -2.14 -0.85 0.00 0.00 174.74 173.94 3kom s PRO 103 N -0.80 4.20 -0.12 8.40 0.02 -1.26 -4.91 135.00 140.53 3kom s PRO 103 Ca 0.10 2.44 0.02 0.00 0.02 0.00 0.00 61.00 63.59 3kom s PRO 103 Cb -0.10 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.40 3kom s PRO 103 CO -0.00 -0.46 -0.19 -1.21 -0.33 0.00 0.00 177.00 174.81 3kom s GLU 104 N -1.27 2.64 0.29 5.54 2.02 -1.26 -2.56 118.70 124.10 3kom s GLU 104 Ca 0.56 -0.72 -0.29 0.00 0.02 0.00 0.00 54.97 54.54 3kom s GLU 104 Cb -0.44 -2.17 -0.10 0.00 0.10 0.00 0.00 34.13 31.51 3kom s GLU 104 CO 0.53 -0.03 1.42 -0.47 0.02 0.00 0.00 175.26 176.73 3kom s TYR 105 N 0.88 2.97 0.00 1.61 5.04 -1.25 -4.14 117.35 122.46 3kom s TYR 105 Ca -0.07 1.13 0.00 0.00 -2.44 0.00 0.00 57.07 55.69 3kom s TYR 105 Cb -0.15 -3.82 0.00 0.00 0.35 0.00 0.00 41.96 38.34 3kom s TYR 105 CO -0.01 -2.54 0.00 0.41 -1.34 0.00 0.00 175.55 172.07 3kom n GLY 106 N 1.66 2.47 0.52 8.97 0.00 -1.26 -4.89 105.19 112.65 3kom n GLY 106 Ca 0.04 -0.60 -0.07 0.00 0.00 0.00 0.00 46.02 45.39 3kom n GLY 106 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kom n TYR 107 N 0.00 0.00 -2.13 1.61 9.36 -1.26 -4.98 117.16 119.75 3kom n TYR 107 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 3kom n TYR 107 Cb 0.00 -0.27 -0.03 0.00 -0.63 0.00 0.00 39.34 38.41 3kom n TYR 107 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3kom s THR 108 N -2.14 3.65 0.20 2.97 2.01 -1.26 -4.95 115.64 116.13 3kom s THR 108 Ca -0.10 0.94 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 3kom s THR 108 Cb 0.03 -3.60 -0.09 0.00 0.01 0.00 0.00 72.50 68.85 3kom s THR 108 CO 0.14 -0.04 1.39 -2.16 -0.69 0.00 0.00 174.62 173.26 3kom s PRO 109 N 3.18 4.32 0.00 4.92 0.04 -1.26 -2.73 135.00 143.46 3kom s PRO 109 Ca 0.67 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.89 3kom s PRO 109 Cb -0.32 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.05 3kom s PRO 109 CO 0.27 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.34 3kom n GLY 110 N 2.66 0.95 3.62 0.56 0.00 -1.26 -4.88 105.19 106.84 3kom n GLY 110 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3kom n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kom s VAL 111 N -2.67 4.85 -0.30 1.61 1.01 -1.11 -4.95 120.40 118.85 3kom s VAL 111 Ca 0.00 1.29 0.23 0.00 0.00 0.00 0.00 61.98 63.50 3kom s VAL 111 Cb 0.00 -4.09 0.10 0.00 0.00 0.00 0.00 36.38 32.39 3kom s VAL 111 CO 0.00 -0.14 1.22 -0.33 0.00 0.00 0.00 175.10 175.85 3kom h GLU 112 N 7.93 0.00 -3.09 2.72 4.39 -1.91 -3.41 114.58 121.20 3kom h GLU 112 Ca -0.24 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.49 3kom h GLU 112 Cb 1.10 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.68 3kom h GLU 112 CO 0.86 0.00 0.17 -0.08 -1.16 0.00 0.00 179.01 178.80 3kom s THR 113 N -3.32 0.00 -0.24 1.13 -1.32 -1.26 -4.93 115.64 105.71 3kom s THR 113 Ca 0.02 -0.82 -0.09 0.00 -1.21 0.00 0.00 61.69 59.59 3kom s THR 113 Cb 0.08 -1.78 -0.04 0.00 -1.51 0.00 0.00 72.50 69.25 3kom s THR 113 CO 0.75 -0.02 0.12 -0.89 -2.21 0.00 0.00 174.62 172.38 3kom s THR 114 N -3.89 4.89 -0.01 5.08 2.01 -1.26 -3.76 115.64 118.70 3kom s THR 114 Ca 0.10 0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.18 3kom s THR 114 Cb -0.04 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 3kom s THR 114 CO 0.02 0.34 -0.20 0.42 -0.69 0.00 0.00 174.62 174.51 3kom s THR 115 N 1.31 1.59 0.00 -0.82 -4.23 -1.06 -4.93 115.64 107.51 3kom s THR 115 Ca 0.06 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 3kom s THR 115 Cb -0.15 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.36 3kom s THR 115 CO 0.05 0.40 0.00 0.61 -0.54 0.00 0.00 174.62 175.15 3kom n GLY 116 N 2.46 -1.88 3.67 3.99 0.00 -1.26 -4.17 105.19 108.00 3kom n GLY 116 Ca -0.15 0.55 -0.46 0.00 0.00 0.00 0.00 46.02 45.96 3kom n GLY 116 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kom n PRO 117 N -1.02 2.23 -1.83 1.61 -0.02 -1.26 -4.81 135.00 129.89 3kom n PRO 117 Ca 0.00 0.81 -0.33 0.00 -2.02 0.00 0.00 63.50 61.96 3kom n PRO 117 Cb 0.00 -2.60 0.04 0.00 -0.02 0.00 0.00 33.50 30.92 3kom n PRO 117 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kom s LEU 118 N 1.44 3.42 0.00 2.45 1.43 -1.26 -3.63 118.68 122.53 3kom s LEU 118 Ca 0.81 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.86 3kom s LEU 118 Cb -0.66 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.01 3kom s LEU 118 CO 0.39 -1.51 0.00 0.61 0.23 0.00 0.00 176.35 176.07 3kom n GLY 119 N -0.64 2.46 0.17 -3.19 0.00 -1.26 -4.84 105.19 97.89 3kom n GLY 119 Ca 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 3kom n GLY 119 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kom h GLN 120 N 0.00 0.08 -0.64 1.61 4.20 -1.91 -2.94 115.11 115.50 3kom h GLN 120 Ca 0.00 -0.04 0.10 0.00 0.06 0.00 0.00 58.65 58.77 3kom h GLN 120 Cb 0.00 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.71 3kom h GLN 120 CO 0.00 0.57 0.25 0.78 -0.67 0.00 0.00 178.83 179.76 3kom h GLY 121 N 1.46 0.92 0.94 3.46 0.00 -1.82 0.25 103.07 108.28 3kom h GLY 121 Ca -0.00 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.21 3kom h GLY 121 CO 0.07 -0.02 0.34 -2.08 0.00 0.00 0.00 176.54 174.85 3kom h VAL 122 N 0.43 1.10 -0.64 4.60 2.07 -1.86 -0.22 116.25 121.74 3kom h VAL 122 Ca 0.33 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.52 3kom h VAL 122 Cb 0.42 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3kom h VAL 122 CO -0.32 0.13 0.05 0.00 0.02 0.00 0.00 177.57 177.45 3kom h ALA 123 N 1.22 0.85 -0.76 1.67 0.00 -1.26 -0.72 119.26 120.26 3kom h ALA 123 Ca 0.21 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3kom h ALA 123 Cb -0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3kom h ALA 123 CO -0.07 0.66 0.51 -0.91 0.00 0.00 0.00 179.25 179.44 3kom h ASN 124 N 1.00 0.87 -0.61 0.00 -0.26 -0.17 -1.30 115.58 115.13 3kom h ASN 124 Ca 0.19 -0.02 -0.05 0.00 -0.56 0.00 0.00 56.30 55.85 3kom h ASN 124 Cb 0.50 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.52 3kom h ASN 124 CO 0.02 0.63 0.19 0.00 -1.06 0.00 0.00 177.43 177.22 3kom h ALA 125 N 1.28 1.13 -0.66 -0.83 0.00 -0.55 -2.15 119.26 117.49 3kom h ALA 125 Ca 0.28 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kom h ALA 125 Cb -0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 3kom h ALA 125 CO -0.06 0.59 0.44 0.28 0.00 0.00 0.00 179.25 180.50 3kom h VAL 126 N 0.94 1.15 0.00 0.00 2.07 -0.70 -0.47 116.25 119.25 3kom h VAL 126 Ca 0.21 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3kom h VAL 126 Cb 0.28 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3kom h VAL 126 CO -0.01 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.35 3kom n GLY 127 N -1.28 0.02 0.00 2.17 0.00 -0.53 -0.72 105.19 104.85 3kom n GLY 127 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3kom n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kom n ALA 129 N 0.78 0.00 -0.32 4.61 0.00 -0.19 -0.70 120.51 124.70 3kom n ALA 129 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3kom n ALA 129 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 3kom n ALA 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kom h LEU 130 N 0.00 1.05 -0.34 0.00 5.85 -1.17 -2.35 115.31 118.35 3kom h LEU 130 Ca 0.00 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.67 3kom h LEU 130 Cb 0.00 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 3kom h LEU 130 CO 0.00 0.83 0.12 1.23 -0.34 0.00 0.00 178.44 180.27 3kom h GLY 131 N 1.18 0.43 0.89 3.75 0.00 -1.16 0.17 103.07 108.33 3kom h GLY 131 Ca 0.30 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.60 3kom h GLY 131 CO -0.05 0.03 0.60 -2.09 0.00 0.00 0.00 176.54 175.03 3kom h GLU 132 N 0.26 1.14 -0.40 4.80 4.22 -1.78 -0.87 114.58 121.95 3kom h GLU 132 Ca 0.15 -0.07 -0.05 0.00 0.08 0.00 0.00 59.36 59.47 3kom h GLU 132 Cb 0.12 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3kom h GLU 132 CO -0.15 0.75 0.05 -0.22 -2.18 0.00 0.00 179.01 177.26 3kom h LYS 133 N 1.17 0.67 -0.24 1.92 3.64 -0.90 -0.39 116.57 122.44 3kom h LYS 133 Ca 0.36 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3kom h LYS 133 Cb -0.01 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3kom h LYS 133 CO -0.11 0.72 0.10 -0.07 -2.27 0.00 0.00 179.45 177.82 3kom h LEU 134 N 0.52 0.33 -0.48 5.20 3.38 -0.59 -1.09 115.31 122.57 3kom h LEU 134 Ca 0.12 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 3kom h LEU 134 Cb 0.39 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3kom h LEU 134 CO 0.01 0.40 -0.55 -0.07 0.09 0.00 0.00 178.44 178.32 3kom h LEU 135 N 0.24 0.67 -0.67 1.67 3.38 -1.15 -1.02 115.31 118.41 3kom h LEU 135 Ca 0.08 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 3kom h LEU 135 Cb 0.17 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kom h LEU 135 CO -0.01 1.08 0.04 0.77 0.09 0.00 0.00 178.44 180.41 3kom h SER 136 N 0.46 1.04 -0.67 -0.43 4.64 -1.05 -0.69 113.55 116.84 3kom h SER 136 Ca 0.01 -0.28 -0.05 0.00 -0.47 0.00 0.00 61.79 61.00 3kom h SER 136 Cb 1.11 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.89 3kom h SER 136 CO 0.11 1.06 0.24 0.44 -0.87 0.00 0.00 176.83 177.81 3kom h ASP 137 N 0.99 0.97 -0.26 4.97 3.32 -1.07 -0.81 116.42 124.53 3kom h ASP 137 Ca 0.18 -0.16 -0.17 0.00 0.02 0.00 0.00 57.03 56.91 3kom h ASP 137 Cb 0.51 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3kom h ASP 137 CO 0.02 0.89 -0.47 0.03 -1.72 0.00 0.00 179.24 178.00 3kom h ARG 138 N 1.02 0.83 0.00 3.56 3.08 -0.83 -3.40 114.38 118.63 3kom h ARG 138 Ca 0.23 -0.48 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 3kom h ARG 138 Cb 0.25 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3kom h ARG 138 CO -0.01 1.11 -1.20 0.66 -1.07 0.00 0.00 179.97 179.46 3kom n TYR 139 N -4.02 0.00 -1.64 3.04 4.01 -0.30 -5.03 117.16 113.23 3kom n TYR 139 Ca -0.03 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.40 3kom n TYR 139 Cb 0.58 -0.10 0.04 0.00 -0.31 0.00 0.00 39.34 39.55 3kom n TYR 139 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3kom s ASN 140 N -2.58 5.50 0.22 7.72 0.02 -0.32 -4.77 114.94 120.74 3kom s ASN 140 Ca -0.02 1.61 0.04 0.00 -1.02 0.00 0.00 52.86 53.47 3kom s ASN 140 Cb 0.03 -2.50 -0.05 0.00 0.02 0.00 0.00 41.25 38.75 3kom s ASN 140 CO 0.17 -1.36 -0.01 0.42 0.02 0.00 0.00 177.10 176.33 3kom s THR 141 N -3.02 1.07 0.56 1.60 -4.23 -0.84 -4.93 115.64 105.85 3kom s THR 141 Ca 0.58 -2.04 0.28 0.00 -1.18 0.00 0.00 61.69 59.33 3kom s THR 141 Cb -0.14 -2.30 0.40 0.00 1.34 0.00 0.00 72.50 71.80 3kom s THR 141 CO 0.54 -0.36 1.97 -0.65 -0.54 0.00 0.00 174.62 175.57 3kom h PRO 142 N 2.50 0.00 0.00 3.99 0.11 -2.01 -2.27 132.00 134.32 3kom h PRO 142 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3kom h PRO 142 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kom h PRO 142 CO 0.64 0.00 -1.13 -0.25 -0.21 0.00 0.00 178.00 177.05 3kom n ASP 143 N -4.08 0.73 -3.46 -2.05 8.00 -1.26 -4.88 116.55 109.55 3kom n ASP 143 Ca 0.09 0.28 -0.16 0.00 0.71 0.00 0.00 54.79 55.71 3kom n ASP 143 Cb 0.63 0.66 -0.12 0.00 -0.02 0.00 0.00 41.12 42.26 3kom n ASP 143 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kom s LEU 144 N -5.22 -0.22 -0.53 0.64 2.96 -0.85 -5.11 118.68 110.34 3kom s LEU 144 Ca -0.01 -0.13 -0.21 0.00 -0.22 0.00 0.00 54.13 53.55 3kom s LEU 144 Cb 0.10 0.53 0.06 0.00 0.50 0.00 0.00 46.19 47.38 3kom s LEU 144 CO 0.81 -0.32 0.74 -0.54 -1.32 0.00 0.00 176.35 175.72 3kom s LYS 145 N 2.37 3.18 0.02 1.98 -0.14 -1.26 -1.98 119.74 123.91 3kom s LYS 145 Ca 0.08 -0.71 -0.03 0.00 -1.36 0.00 0.00 55.97 53.95 3kom s LYS 145 Cb -0.16 -4.10 -0.28 0.00 -1.68 0.00 0.00 37.83 31.62 3kom s LYS 145 CO -0.13 -1.34 0.91 -0.24 -0.76 0.00 0.00 175.35 173.79 3kom h VAL 146 N 5.92 1.21 -3.18 3.17 3.04 -1.93 -3.45 116.25 121.03 3kom h VAL 146 Ca -0.27 -2.84 -0.67 0.00 -1.01 0.00 0.00 66.70 61.90 3kom h VAL 146 Cb 1.09 2.79 -0.33 0.00 -2.01 0.00 0.00 31.29 32.82 3kom h VAL 146 CO 1.02 0.83 -0.84 -0.63 -1.01 0.00 0.00 177.57 176.93 3kom s ILE 147 N -2.62 2.26 -0.29 3.17 -1.09 -1.26 -4.89 121.20 116.47 3kom s ILE 147 Ca -0.08 -0.89 -0.03 0.00 -2.23 0.00 0.00 60.65 57.42 3kom s ILE 147 Cb 0.07 -1.94 0.19 0.00 -1.58 0.00 0.00 42.46 39.20 3kom s ILE 147 CO 0.86 0.53 0.81 -0.62 -1.23 0.00 0.00 174.94 175.29 3kom s ASP 148 N 1.01 -1.04 0.27 3.58 2.15 -1.26 -4.70 116.67 116.68 3kom s ASP 148 Ca -0.02 0.19 -0.21 0.00 0.43 0.00 0.00 52.55 52.94 3kom s ASP 148 Cb -0.15 1.69 0.03 0.00 -0.30 0.00 0.00 42.92 44.19 3kom s ASP 148 CO -0.05 -0.19 0.75 -1.38 -0.17 0.00 0.00 175.17 174.13 3kom s HIS 149 N 2.89 -0.18 0.44 -5.34 -3.43 -1.26 -4.99 115.29 103.42 3kom s HIS 149 Ca 0.17 -0.27 0.07 0.00 -0.80 0.00 0.00 55.06 54.23 3kom s HIS 149 Cb -0.07 0.70 0.01 0.00 -1.43 0.00 0.00 32.58 31.79 3kom s HIS 149 CO -0.23 -1.19 0.60 -1.01 -2.00 0.00 0.00 174.74 170.90 3kom s HIS 150 N -3.81 2.83 -0.09 0.38 3.76 -1.26 -4.95 115.29 112.14 3kom s HIS 150 Ca 0.11 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 3kom s HIS 150 Cb -0.05 -2.43 0.02 0.00 1.11 0.00 0.00 32.58 31.23 3kom s HIS 150 CO 0.06 -0.48 -0.08 0.99 -0.85 0.00 0.00 174.74 174.39 3kom s THR 151 N -2.41 0.95 0.01 1.30 2.01 -0.60 -2.06 115.64 114.85 3kom s THR 151 Ca 0.55 -0.29 0.07 0.00 0.31 0.00 0.00 61.69 62.33 3kom s THR 151 Cb -0.10 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 3kom s THR 151 CO 0.34 0.34 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.10 3kom s TYR 152 N 1.34 2.51 -0.02 4.92 1.51 0.17 -1.09 117.35 126.69 3kom s TYR 152 Ca -0.02 -0.29 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 3kom s TYR 152 Cb -0.14 -1.50 0.01 0.00 -0.11 0.00 0.00 41.96 40.23 3kom s TYR 152 CO -0.04 0.16 -0.01 0.54 -1.11 0.00 0.00 175.55 175.09 3kom s VAL 153 N -0.80 0.20 -0.14 0.71 0.11 -0.63 -0.69 120.40 119.16 3kom s VAL 153 Ca 0.13 -0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.07 3kom s VAL 153 Cb -0.10 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.46 3kom s VAL 153 CO 0.02 0.11 0.19 -0.36 -3.33 0.00 0.00 175.10 171.73 3kom s PHE 154 N 0.52 3.53 0.09 1.54 0.40 -0.19 -0.85 117.98 123.03 3kom s PHE 154 Ca -0.05 0.52 -0.01 0.00 -0.60 0.00 0.00 56.93 56.79 3kom s PHE 154 Cb -0.08 -2.11 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 3kom s PHE 154 CO -0.01 0.51 0.02 -0.48 0.70 0.00 0.00 175.22 175.96 3kom s LEU 155 N -0.36 2.12 0.00 -0.37 0.05 -0.11 -1.23 118.68 118.77 3kom s LEU 155 Ca 0.14 -1.07 0.02 0.00 0.05 0.00 0.00 54.13 53.27 3kom s LEU 155 Cb -0.12 0.30 -0.01 0.00 -2.05 0.00 0.00 46.19 44.31 3kom s LEU 155 CO 0.03 -0.67 0.07 0.61 -0.55 0.00 0.00 176.35 175.84 3kom n GLY 156 N 0.01 3.40 0.28 -3.48 0.00 -1.26 -1.39 105.19 102.76 3kom n GLY 156 Ca -0.10 -2.26 -0.01 0.00 0.00 0.00 0.00 46.02 43.65 3kom n GLY 156 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kom h ASP 157 N 1.43 0.67 0.00 1.61 3.32 -2.00 -2.67 116.42 118.78 3kom h ASP 157 Ca -0.38 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3kom h ASP 157 Cb 1.27 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3kom h ASP 157 CO 0.62 0.43 0.00 0.61 -1.72 0.00 0.00 179.24 179.18 3kom n GLY 158 N -1.30 0.48 0.98 2.75 0.00 -1.26 -4.75 105.19 102.09 3kom n GLY 158 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 3kom n GLY 158 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kom n LEU 160 N 1.15 -0.01 -0.70 0.99 4.77 -1.01 -4.74 117.00 117.44 3kom n LEU 160 Ca 0.00 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kom n LEU 160 Cb 0.09 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3kom n LEU 160 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 3kom n GLU 162 N -0.26 0.00 -0.16 3.23 -0.58 -1.26 -4.82 120.64 116.79 3kom n GLU 162 Ca 0.00 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.85 3kom n GLU 162 Cb 0.01 -0.32 0.43 0.00 -0.57 0.00 0.00 31.44 30.99 3kom n GLU 162 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3kom h GLY 163 N 0.77 0.82 2.00 0.62 0.00 -1.96 -1.72 103.07 103.60 3kom h GLY 163 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3kom h GLY 163 CO 0.00 0.14 -0.14 -0.24 0.00 0.00 0.00 176.54 176.30 3kom h VAL 164 N 0.57 0.63 -0.41 4.60 3.04 -1.93 -0.90 116.25 121.86 3kom h VAL 164 Ca 0.33 -0.60 -0.09 0.00 -1.01 0.00 0.00 66.70 65.33 3kom h VAL 164 Cb 0.51 1.38 -0.02 0.00 -2.01 0.00 0.00 31.29 31.15 3kom h VAL 164 CO -0.11 0.14 -0.11 0.77 -1.01 0.00 0.00 177.57 177.24 3kom h SER 165 N 0.00 0.71 -0.27 3.17 4.64 -1.54 -1.09 113.55 119.16 3kom h SER 165 Ca -0.00 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 3kom h SER 165 Cb 0.37 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3kom h SER 165 CO 0.02 0.85 0.10 -0.74 -0.87 0.00 0.00 176.83 176.18 3kom h HIS 166 N 0.65 0.42 -0.12 4.77 6.17 -1.24 -0.21 115.15 125.59 3kom h HIS 166 Ca 0.11 -0.04 -0.00 0.00 0.71 0.00 0.00 60.37 61.16 3kom h HIS 166 Cb 0.57 -0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.37 3kom h HIS 166 CO 0.03 0.44 0.07 0.93 0.71 0.00 0.00 177.93 180.11 3kom h GLU 167 N 0.28 0.16 -0.13 5.26 5.08 -1.18 -1.20 114.58 122.84 3kom h GLU 167 Ca 0.09 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.22 3kom h GLU 167 Cb 0.20 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.43 3kom h GLU 167 CO -0.01 0.15 -0.78 0.00 -1.00 0.00 0.00 179.01 177.37 3kom h ALA 168 N 1.01 0.36 0.05 3.43 0.00 -1.18 -2.63 119.26 120.31 3kom h ALA 168 Ca 0.04 -0.61 -0.23 0.00 0.00 0.00 0.00 54.91 54.11 3kom h ALA 168 Cb 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kom h ALA 168 CO -0.01 0.70 -1.05 0.00 0.00 0.00 0.00 179.25 178.90 3kom h SER 170 N 0.09 0.27 -0.14 0.00 0.87 -1.26 -2.32 113.55 111.07 3kom h SER 170 Ca -0.08 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.38 3kom h SER 170 Cb 1.74 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.65 3kom h SER 170 CO 0.16 0.20 -0.31 0.25 -0.53 0.00 0.00 176.83 176.61 3kom h LEU 171 N 0.38 0.64 -1.04 2.23 5.85 -1.36 -2.42 115.31 119.60 3kom h LEU 171 Ca 0.16 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 3kom h LEU 171 Cb 0.06 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3kom h LEU 171 CO -0.11 0.91 0.24 0.00 -0.34 0.00 0.00 178.44 179.14 3kom h ALA 172 N 1.13 1.24 -0.14 1.25 0.00 -0.94 -0.96 119.26 120.83 3kom h ALA 172 Ca 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3kom h ALA 172 Cb 0.79 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3kom h ALA 172 CO 0.07 0.55 0.01 0.78 0.00 0.00 0.00 179.25 180.66 3kom h GLY 173 N 1.01 0.27 0.62 0.00 0.00 -1.20 -2.36 103.07 101.41 3kom h GLY 173 Ca 0.21 -0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.44 3kom h GLY 173 CO -0.02 0.17 0.61 -0.84 0.00 0.00 0.00 176.54 176.47 3kom h THR 174 N 0.00 1.01 0.00 4.70 2.02 -1.11 -2.17 112.91 117.36 3kom h THR 174 Ca 0.04 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.86 3kom h THR 174 Cb 0.34 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 3kom h THR 174 CO 0.01 0.19 0.00 0.18 0.37 0.00 0.00 175.52 176.27 3kom n LEU 175 N -4.58 0.00 -3.51 2.58 4.77 -0.39 -4.95 117.00 110.91 3kom n LEU 175 Ca 0.16 0.37 -0.19 0.00 -0.03 0.00 0.00 56.01 56.32 3kom n LEU 175 Cb 0.25 -0.37 0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3kom n LEU 175 CO 0.30 -0.02 0.02 0.61 -1.33 0.00 0.00 177.39 176.97 3kom n GLY 176 N 1.25 -0.53 3.22 -0.72 0.00 -0.82 -4.89 105.19 102.70 3kom n GLY 176 Ca 0.11 0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.93 3kom n GLY 176 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kom n LEU 177 N -4.02 5.76 0.06 0.99 4.77 -1.11 -4.72 117.00 118.74 3kom n LEU 177 Ca -0.24 -4.10 0.10 0.00 -0.03 0.00 0.00 56.01 51.74 3kom n LEU 177 Cb 0.66 -1.69 0.40 0.00 -2.33 0.00 0.00 43.42 40.47 3kom n LEU 177 CO 0.64 0.63 0.80 -0.46 -1.33 0.00 0.00 177.39 177.67 3kom n ASN 178 N 7.00 0.30 -0.68 -1.43 0.23 -1.26 -1.99 115.26 117.44 3kom n ASN 178 Ca 0.48 0.57 0.11 0.00 -0.53 0.00 0.00 54.58 55.21 3kom n ASN 178 Cb 0.43 -0.63 0.35 0.00 -2.08 0.00 0.00 39.78 37.84 3kom n ASN 178 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3kom n LYS 179 N -1.82 1.90 -3.25 -3.83 5.02 -1.26 -4.62 118.16 110.29 3kom n LYS 179 Ca 0.03 -1.34 -0.39 0.00 -2.02 0.00 0.00 58.31 54.60 3kom n LYS 179 Cb 0.22 -1.43 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 3kom n LYS 179 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3kom s LEU 180 N -1.64 4.23 -0.10 -0.35 2.96 -0.84 -1.55 118.68 121.38 3kom s LEU 180 Ca 0.34 0.81 -0.00 0.00 -0.22 0.00 0.00 54.13 55.05 3kom s LEU 180 Cb 0.19 -2.75 0.02 0.00 0.50 0.00 0.00 46.19 44.15 3kom s LEU 180 CO 0.28 -0.09 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.46 3kom s VAL 181 N 1.08 0.96 0.06 1.68 1.01 -0.25 -1.92 120.40 123.02 3kom s VAL 181 Ca 0.27 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.03 3kom s VAL 181 Cb -0.15 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3kom s VAL 181 CO 0.11 0.35 -0.06 0.00 0.00 0.00 0.00 175.10 175.50 3kom s ALA 182 N 1.59 3.08 -0.11 5.51 0.00 0.47 -1.61 121.76 130.69 3kom s ALA 182 Ca 0.02 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.88 3kom s ALA 182 Cb -0.13 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 21.93 3kom s ALA 182 CO -0.06 0.65 -0.17 -0.06 0.00 0.00 0.00 175.76 176.11 3kom s PHE 183 N -1.16 2.11 -0.22 0.00 0.40 -0.03 -0.41 117.98 118.68 3kom s PHE 183 Ca 0.21 -0.97 -0.06 0.00 -0.60 0.00 0.00 56.93 55.50 3kom s PHE 183 Cb -0.11 -1.49 -0.03 0.00 0.51 0.00 0.00 43.02 41.90 3kom s PHE 183 CO 0.13 -0.47 0.03 -0.46 0.70 0.00 0.00 175.22 175.14 3kom s TRP 184 N 0.85 3.08 -1.11 0.36 -0.00 -0.30 -0.94 118.94 120.89 3kom s TRP 184 Ca -0.09 -0.38 -0.21 0.00 -0.00 0.00 0.00 56.10 55.41 3kom s TRP 184 Cb -0.15 -2.14 0.05 0.00 -0.00 0.00 0.00 33.47 31.23 3kom s TRP 184 CO 0.00 -0.24 1.58 0.34 -0.00 0.00 0.00 176.95 178.64 3kom s ASP 185 N 1.14 6.50 -1.11 5.86 2.15 -0.48 -1.72 116.67 129.00 3kom s ASP 185 Ca 0.03 -1.74 -0.16 0.00 0.43 0.00 0.00 52.55 51.11 3kom s ASP 185 Cb -0.14 -2.57 0.15 0.00 -0.30 0.00 0.00 42.92 40.05 3kom s ASP 185 CO 0.02 -1.51 1.35 -0.62 -0.17 0.00 0.00 175.17 174.24 3kom s ASP 186 N 4.94 6.89 0.32 -0.34 2.15 -0.18 -4.43 116.67 126.04 3kom s ASP 186 Ca 0.51 -2.60 0.07 0.00 0.43 0.00 0.00 52.55 50.95 3kom s ASP 186 Cb 0.01 -2.41 -0.02 0.00 -0.30 0.00 0.00 42.92 40.19 3kom s ASP 186 CO -0.03 -0.90 0.34 0.54 -0.17 0.00 0.00 175.17 174.95 3kom s ASN 187 N 3.24 5.56 0.34 -0.34 4.22 -1.26 -2.40 114.94 124.30 3kom s ASN 187 Ca 0.40 -0.35 -0.10 0.00 -2.14 0.00 0.00 52.86 50.67 3kom s ASN 187 Cb -0.03 -1.13 -0.08 0.00 1.28 0.00 0.00 41.25 41.28 3kom s ASN 187 CO -0.03 -0.33 -0.15 0.59 -2.04 0.00 0.00 177.10 175.13 3kom n ASN 188 N -1.44 -2.31 0.00 3.54 4.13 -1.19 -4.95 115.26 113.04 3kom n ASN 188 Ca -0.02 0.30 0.00 0.00 1.68 0.00 0.00 54.58 56.54 3kom n ASN 188 Cb 0.59 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 38.37 3kom n ASN 188 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3kom n THR 195 N -0.95 0.00 0.29 3.41 -2.24 -1.26 -5.14 114.28 108.39 3kom n THR 195 Ca 0.03 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.97 3kom n THR 195 Cb 0.27 0.00 0.80 0.00 -2.10 0.00 0.00 70.33 69.30 3kom n THR 195 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kom h LYS 196 N 0.01 0.00 0.00 -0.78 1.57 -2.02 -0.42 116.57 114.93 3kom h LYS 196 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3kom h LYS 196 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kom h LYS 196 CO 0.00 0.00 -0.11 0.78 -0.57 0.00 0.00 179.45 179.55 3kom h GLY 197 N 0.83 0.00 0.00 3.86 0.00 -2.05 -3.30 103.07 102.41 3kom h GLY 197 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kom h GLY 197 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 176.54 173.87 3kom n TRP 198 N -3.63 0.00 -3.52 5.60 2.14 -0.83 -5.01 117.44 112.18 3kom n TRP 198 Ca -0.02 0.00 -0.28 0.00 2.07 0.00 0.00 57.50 59.27 3kom n TRP 198 Cb 0.24 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 30.59 3kom n TRP 198 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 3kom s PHE 199 N -0.40 0.30 -0.03 -2.67 5.36 -0.23 -4.98 117.98 115.34 3kom s PHE 199 Ca 0.00 -0.90 0.04 0.00 -0.96 0.00 0.00 56.93 55.11 3kom s PHE 199 Cb 0.00 -0.87 0.06 0.00 -0.34 0.00 0.00 43.02 41.87 3kom s PHE 199 CO 0.00 -0.84 0.89 -1.13 -1.46 0.00 0.00 175.22 172.69 3kom n SER 200 N 5.15 0.85 -4.65 6.13 3.41 -1.26 -4.11 113.62 119.13 3kom n SER 200 Ca -0.04 -1.96 -0.41 0.00 -0.26 0.00 0.00 58.87 56.21 3kom n SER 200 Cb 0.42 -0.16 0.02 0.00 -0.26 0.00 0.00 64.21 64.23 3kom n SER 200 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kom n ASP 201 N -0.39 1.71 -4.56 4.04 9.92 -1.26 -4.91 116.55 121.09 3kom n ASP 201 Ca 0.03 1.03 -0.41 0.00 -0.53 0.00 0.00 54.79 54.92 3kom n ASP 201 Cb 0.55 -1.42 -0.03 0.00 -0.64 0.00 0.00 41.12 39.59 3kom n ASP 201 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3kom s ASN 202 N -0.73 6.41 0.18 -2.24 3.84 -1.26 -4.89 114.94 116.24 3kom s ASN 202 Ca 0.64 -1.21 -0.10 0.00 0.21 0.00 0.00 52.86 52.41 3kom s ASN 202 Cb -0.52 -2.57 0.06 0.00 -0.55 0.00 0.00 41.25 37.68 3kom s ASN 202 CO 0.56 -1.60 1.64 0.74 -2.79 0.00 0.00 177.10 175.65 3kom h THR 203 N 6.63 1.27 -0.88 -5.21 2.02 -1.99 -1.57 112.91 113.17 3kom h THR 203 Ca 0.09 -1.14 0.02 0.00 0.77 0.00 0.00 66.41 66.15 3kom h THR 203 Cb 1.02 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 3kom h THR 203 CO 1.39 0.41 0.58 -0.65 0.37 0.00 0.00 175.52 177.63 3kom h PRO 204 N 0.95 1.13 -0.66 6.66 0.11 -2.00 -0.96 132.00 137.23 3kom h PRO 204 Ca 0.17 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 3kom h PRO 204 Cb 0.55 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.38 3kom h PRO 204 CO 0.03 0.75 0.13 1.49 -0.21 0.00 0.00 178.00 180.19 3kom h GLU 205 N 1.16 1.06 -0.42 1.05 4.81 -1.87 -0.77 114.58 119.61 3kom h GLU 205 Ca 0.33 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3kom h GLU 205 Cb -0.08 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 3kom h GLU 205 CO -0.09 0.96 0.22 -0.09 -0.73 0.00 0.00 179.01 179.28 3kom h ARG 206 N 1.00 0.58 -0.19 1.92 2.43 -0.88 -1.61 114.38 117.64 3kom h ARG 206 Ca 0.20 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 3kom h ARG 206 Cb 0.40 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3kom h ARG 206 CO 0.01 0.48 -0.46 0.74 -1.51 0.00 0.00 179.97 179.22 3kom h PHE 207 N 0.54 0.60 -0.63 2.20 0.04 -0.89 -2.10 116.94 116.69 3kom h PHE 207 Ca 0.15 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.73 3kom h PHE 207 Cb 0.07 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 3kom h PHE 207 CO -0.02 0.87 0.41 0.00 -0.60 0.00 0.00 178.31 178.96 3kom h ARG 208 N 0.40 0.84 0.00 1.51 3.08 -1.01 -1.37 114.38 117.82 3kom h ARG 208 Ca 0.02 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3kom h ARG 208 Cb 0.96 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 3kom h ARG 208 CO 0.08 0.56 -0.12 0.00 -1.07 0.00 0.00 179.97 179.43 3kom h ALA 209 N 1.59 1.48 -0.00 0.04 0.00 -0.63 -0.37 119.26 121.36 3kom h ALA 209 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kom h ALA 209 Cb -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kom h ALA 209 CO -0.05 0.15 -0.04 0.66 0.00 0.00 0.00 179.25 179.98 3kom n TYR 210 N -3.93 0.00 -1.34 0.00 4.01 -0.67 -4.92 117.16 110.30 3kom n TYR 210 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3kom n TYR 210 Cb 0.21 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3kom n TYR 210 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kom n GLY 211 N 1.18 0.44 3.90 2.72 0.00 -0.15 -4.11 105.19 109.18 3kom n GLY 211 Ca 0.18 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 3kom n GLY 211 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kom s TRP 212 N -2.00 3.48 -0.05 1.61 0.52 -0.61 -4.51 118.94 117.38 3kom s TRP 212 Ca 0.00 0.75 -0.24 0.00 0.02 0.00 0.00 56.10 56.64 3kom s TRP 212 Cb 0.00 -2.20 -0.04 0.00 -1.15 0.00 0.00 33.47 30.08 3kom s TRP 212 CO 0.00 0.07 0.72 -1.58 0.02 0.00 0.00 176.95 176.18 3kom s HIS 213 N -2.20 3.60 -0.09 -1.98 5.65 0.45 -4.25 115.29 116.47 3kom s HIS 213 Ca 0.46 1.29 0.04 0.00 0.25 0.00 0.00 55.06 57.10 3kom s HIS 213 Cb -0.11 -2.82 -0.01 0.00 -1.18 0.00 0.00 32.58 28.47 3kom s HIS 213 CO 0.31 0.11 -0.23 0.08 -0.65 0.00 0.00 174.74 174.36 3kom s VAL 214 N 0.71 2.22 -0.33 0.89 1.01 -1.26 -0.98 120.40 122.67 3kom s VAL 214 Ca 0.38 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 3kom s VAL 214 Cb -0.18 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.37 3kom s VAL 214 CO 0.19 0.56 0.12 -0.63 0.00 0.00 0.00 175.10 175.34 3kom s ILE 215 N 0.18 4.10 0.19 2.22 1.01 -0.25 -4.98 121.20 123.67 3kom s ILE 215 Ca -0.13 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 3kom s ILE 215 Cb -0.16 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 3kom s ILE 215 CO 0.07 -0.07 0.39 -1.61 0.00 0.00 0.00 174.94 173.71 3kom s GLU 216 N 1.49 3.54 -1.37 2.79 2.02 -1.26 -0.46 118.70 125.45 3kom s GLU 216 Ca 0.01 -0.28 -0.05 0.00 0.02 0.00 0.00 54.97 54.67 3kom s GLU 216 Cb -0.18 -2.84 0.01 0.00 0.10 0.00 0.00 34.13 31.21 3kom s GLU 216 CO 0.04 0.41 0.64 0.09 0.02 0.00 0.00 175.26 176.46 3kom n ASN 217 N -0.49 -5.72 -4.69 -0.19 4.13 -1.22 -4.91 115.26 102.17 3kom n ASN 217 Ca -0.04 -0.30 -0.42 0.00 1.68 0.00 0.00 54.58 55.50 3kom n ASN 217 Cb 0.53 -4.51 -0.03 0.00 -1.54 0.00 0.00 39.78 34.23 3kom n ASN 217 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3kom s VAL 218 N -3.15 4.82 -0.37 2.41 1.01 -0.72 -4.92 120.40 119.48 3kom s VAL 218 Ca 0.32 1.95 -0.28 0.00 0.00 0.00 0.00 61.98 63.96 3kom s VAL 218 Cb -0.14 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 3kom s VAL 218 CO 0.39 0.04 1.71 -0.62 0.00 0.00 0.00 175.10 176.61 3kom s ASP 219 N 1.08 5.97 0.00 3.32 -1.08 -1.26 -1.24 116.67 123.45 3kom s ASP 219 Ca 0.47 1.13 0.15 0.00 -0.52 0.00 0.00 52.55 53.78 3kom s ASP 219 Cb -0.18 -2.53 0.90 0.00 -1.46 0.00 0.00 42.92 39.65 3kom s ASP 219 CO 0.18 -1.68 1.36 0.61 0.52 0.00 0.00 175.17 176.16 3kom n GLY 220 N 5.35 -0.66 0.07 2.66 0.00 -0.75 -2.17 105.19 109.70 3kom n GLY 220 Ca 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.14 3kom n GLY 220 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kom n HIS 221 N -0.86 0.02 -3.52 1.61 8.25 -1.26 -3.95 115.22 115.52 3kom n HIS 221 Ca 0.11 -0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 56.95 3kom n HIS 221 Cb 0.05 -0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.06 3kom n HIS 221 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kom s ASP 222 N -0.48 5.83 0.32 0.41 -1.08 -0.92 -4.98 116.67 115.77 3kom s ASP 222 Ca 0.02 -1.54 0.03 0.00 -0.52 0.00 0.00 52.55 50.54 3kom s ASP 222 Cb 0.01 -2.06 0.61 0.00 -1.46 0.00 0.00 42.92 40.02 3kom s ASP 222 CO 0.02 -0.61 1.92 -0.26 0.52 0.00 0.00 175.17 176.76 3kom h PHE 223 N 8.54 0.95 -0.21 -5.34 0.04 -1.91 -1.85 116.94 117.15 3kom h PHE 223 Ca -0.25 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.48 3kom h PHE 223 Cb 1.09 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.93 3kom h PHE 223 CO 0.63 0.49 -0.15 0.28 -0.60 0.00 0.00 178.31 178.96 3kom h VAL 224 N 0.93 1.32 -0.89 -0.55 2.07 -1.94 -2.38 116.25 114.80 3kom h VAL 224 Ca 0.37 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.62 3kom h VAL 224 Cb 0.24 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 3kom h VAL 224 CO -0.13 0.39 0.58 0.00 0.02 0.00 0.00 177.57 178.42 3kom h ALA 225 N 0.67 1.13 -0.01 1.67 0.00 -1.78 -1.99 119.26 118.95 3kom h ALA 225 Ca 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kom h ALA 225 Cb 0.67 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kom h ALA 225 CO 0.04 0.54 0.01 0.82 0.00 0.00 0.00 179.25 180.66 3kom h ILE 226 N 1.21 1.07 -0.99 0.00 2.04 -1.25 -1.78 117.51 117.81 3kom h ILE 226 Ca 0.33 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 66.01 3kom h ILE 226 Cb -0.12 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 3kom h ILE 226 CO -0.07 0.06 0.65 -0.08 0.00 0.00 0.00 178.15 178.71 3kom h GLU 227 N -0.07 1.22 -0.75 2.37 4.81 -1.30 -1.71 114.58 119.15 3kom h GLU 227 Ca 0.00 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3kom h GLU 227 Cb 0.09 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 3kom h GLU 227 CO -0.00 0.81 0.39 -0.22 -0.73 0.00 0.00 179.01 179.26 3kom h LYS 228 N 1.26 1.06 -0.68 1.92 3.64 -1.14 -1.77 116.57 120.85 3kom h LYS 228 Ca 0.40 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.56 3kom h LYS 228 Cb 0.00 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 3kom h LYS 228 CO -0.12 0.80 0.14 0.00 -2.27 0.00 0.00 179.45 178.00 3kom h ALA 229 N 1.20 0.95 -0.23 5.00 0.00 -0.67 -1.92 119.26 123.59 3kom h ALA 229 Ca 0.26 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3kom h ALA 229 Cb 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3kom h ALA 229 CO -0.04 0.66 -0.25 0.82 0.00 0.00 0.00 179.25 180.45 3kom h ILE 230 N 1.05 1.32 -0.98 0.00 2.04 -0.97 -1.16 117.51 118.80 3kom h ILE 230 Ca 0.21 -1.42 0.12 0.00 1.00 0.00 0.00 64.86 64.78 3kom h ILE 230 Cb 0.41 1.71 -0.09 0.00 -0.74 0.00 0.00 36.82 38.11 3kom h ILE 230 CO 0.01 0.44 0.61 0.78 0.00 0.00 0.00 178.15 179.99 3kom h ASN 231 N 0.27 0.88 -0.61 1.72 2.35 -1.28 -0.91 115.58 118.00 3kom h ASN 231 Ca 0.03 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 3kom h ASN 231 Cb 0.80 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 3kom h ASN 231 CO 0.06 0.46 0.31 -0.08 -1.65 0.00 0.00 177.43 176.53 3kom h GLU 232 N 0.95 0.86 -0.90 0.81 4.81 -0.90 -2.53 114.58 117.69 3kom h GLU 232 Ca 0.49 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.61 3kom h GLU 232 Cb 0.50 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 3kom h GLU 232 CO -0.27 0.68 0.59 0.00 -0.73 0.00 0.00 179.01 179.28 3kom h ALA 233 N 1.14 1.14 0.00 2.92 0.00 -0.17 -2.48 119.26 121.81 3kom h ALA 233 Ca 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3kom h ALA 233 Cb 0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3kom h ALA 233 CO -0.03 0.53 -0.10 0.45 0.00 0.00 0.00 179.25 180.09 3kom h HIS 234 N 1.21 0.00 0.00 0.00 3.86 -0.82 -1.94 115.15 117.46 3kom h HIS 234 Ca 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 3kom h HIS 234 Cb -0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.34 3kom h HIS 234 CO -0.01 0.10 0.00 -1.13 0.86 0.00 0.00 177.93 177.75 3kom n SER 235 N -3.52 0.00 -4.68 2.45 3.41 -0.93 -4.82 113.62 105.53 3kom n SER 235 Ca -0.02 -0.20 -0.42 0.00 -0.26 0.00 0.00 58.87 57.97 3kom n SER 235 Cb 0.24 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 3kom n SER 235 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kom s GLN 236 N -2.51 4.29 0.04 4.33 -1.52 -0.73 -4.91 119.66 118.64 3kom s GLN 236 Ca 0.29 1.81 0.20 0.00 -1.95 0.00 0.00 55.36 55.72 3kom s GLN 236 Cb 0.19 -3.63 -0.19 0.00 -0.22 0.00 0.00 33.01 29.17 3kom s GLN 236 CO 0.43 -0.57 0.66 1.04 -0.25 0.00 0.00 175.29 176.60 3kom n GLN 237 N 5.65 0.64 0.00 2.91 1.13 -1.26 -4.71 117.38 121.75 3kom n GLN 237 Ca 0.13 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 3kom n GLN 237 Cb 0.45 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 29.13 3kom n GLN 237 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3kom n GLN 238 N -2.58 3.16 -4.62 -1.09 6.02 -1.26 -4.77 117.38 112.24 3kom n GLN 238 Ca -0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.59 3kom n GLN 238 Cb 0.70 -0.93 -0.12 0.00 1.02 0.00 0.00 30.24 30.91 3kom n GLN 238 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3kom s LYS 239 N -1.84 2.46 0.79 -1.09 1.02 -1.26 -4.21 119.74 115.60 3kom s LYS 239 Ca 0.00 -0.75 -0.13 0.00 0.02 0.00 0.00 55.97 55.10 3kom s LYS 239 Cb 0.00 -2.41 0.07 0.00 -0.52 0.00 0.00 37.83 34.97 3kom s LYS 239 CO 0.00 0.60 1.20 -1.25 -0.92 0.00 0.00 175.35 174.98 3kom s PRO 240 N -1.20 1.79 -0.06 -1.68 0.04 -1.21 -4.34 135.00 128.35 3kom s PRO 240 Ca 0.15 1.71 0.05 0.00 0.04 0.00 0.00 61.00 62.95 3kom s PRO 240 Cb -0.11 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 3kom s PRO 240 CO 0.05 -2.09 -0.22 0.99 0.04 0.00 0.00 177.00 175.76 3kom s THR 241 N -2.17 2.31 -0.21 1.26 2.01 -0.81 -0.41 115.64 117.63 3kom s THR 241 Ca 0.72 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 61.69 3kom s THR 241 Cb -0.28 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 3kom s THR 241 CO 0.49 0.57 0.01 -0.22 -0.69 0.00 0.00 174.62 174.78 3kom s LEU 242 N -0.28 3.29 -0.30 4.42 2.96 -0.15 -0.40 118.68 128.22 3kom s LEU 242 Ca 0.00 -0.20 -0.09 0.00 -0.22 0.00 0.00 54.13 53.62 3kom s LEU 242 Cb -0.13 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 3kom s LEU 242 CO 0.03 0.05 0.15 -0.63 -1.32 0.00 0.00 176.35 174.63 3kom s ILE 243 N 1.06 4.58 -0.45 6.68 1.01 0.45 -1.09 121.20 133.45 3kom s ILE 243 Ca 0.02 -0.39 -0.21 0.00 0.00 0.00 0.00 60.65 60.06 3kom s ILE 243 Cb -0.14 -3.32 0.03 0.00 0.01 0.00 0.00 42.46 39.03 3kom s ILE 243 CO 0.02 0.09 0.69 0.00 0.00 0.00 0.00 174.94 175.74 3kom s LYS 246 N 1.43 4.03 0.21 0.00 1.02 -0.37 -1.01 119.74 125.05 3kom s LYS 246 Ca 0.02 1.02 0.08 0.00 0.02 0.00 0.00 55.97 57.11 3kom s LYS 246 Cb -0.17 -3.76 -0.05 0.00 -0.52 0.00 0.00 37.83 33.34 3kom s LYS 246 CO -0.00 -0.96 -0.15 0.95 -0.92 0.00 0.00 175.35 174.27 3kom s THR 247 N 3.76 1.83 -0.39 2.17 -4.23 -1.01 -1.80 115.64 115.96 3kom s THR 247 Ca 0.46 -2.23 -0.09 0.00 -1.18 0.00 0.00 61.69 58.66 3kom s THR 247 Cb -0.12 -2.07 0.06 0.00 1.34 0.00 0.00 72.50 71.72 3kom s THR 247 CO 0.17 -0.56 0.22 -0.69 -0.54 0.00 0.00 174.62 173.21 3kom s VAL 248 N -2.89 4.16 0.43 2.29 1.01 -1.26 -3.17 120.40 120.98 3kom s VAL 248 Ca 0.23 -1.27 -0.26 0.00 0.00 0.00 0.00 61.98 60.68 3kom s VAL 248 Cb -0.01 -3.48 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 3kom s VAL 248 CO 0.08 -0.40 1.38 0.00 0.00 0.00 0.00 175.10 176.16 3kom n ILE 249 N 4.90 2.63 -0.94 2.22 3.06 -1.26 -1.36 119.36 128.60 3kom n ILE 249 Ca -0.11 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.64 3kom n ILE 249 Cb 0.44 -1.76 0.00 0.00 0.54 0.00 0.00 39.64 38.86 3kom n ILE 249 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3kom n GLY 250 N 0.65 0.36 3.71 4.50 0.00 -1.10 0.20 105.19 113.51 3kom n GLY 250 Ca 0.05 0.00 -0.66 0.00 0.00 0.00 0.00 46.02 45.42 3kom n GLY 250 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kom n PHE 251 N -2.41 1.63 0.00 1.61 -0.00 -0.47 -1.42 117.46 116.40 3kom n PHE 251 Ca 0.00 1.07 0.00 0.00 -0.00 0.00 0.00 57.45 58.52 3kom n PHE 251 Cb 0.16 -2.23 0.00 0.00 -0.00 0.00 0.00 39.48 37.40 3kom n PHE 251 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3kom n GLY 252 N 3.65 2.59 3.59 7.13 0.00 -1.26 -4.80 105.19 116.09 3kom n GLY 252 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 3kom n GLY 252 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kom s SER 253 N -1.67 6.30 0.34 1.61 0.15 -0.51 -4.36 113.70 115.56 3kom s SER 253 Ca 0.00 0.21 0.02 0.00 0.70 0.00 0.00 55.95 56.88 3kom s SER 253 Cb 0.00 -2.24 0.63 0.00 -1.71 0.00 0.00 66.02 62.70 3kom s SER 253 CO 0.00 -0.29 1.98 -0.65 1.20 0.00 0.00 173.24 175.48 3kom h PRO 254 N 8.24 0.86 0.00 5.44 0.11 -1.89 -1.63 132.00 143.13 3kom h PRO 254 Ca -0.30 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 65.55 3kom h PRO 254 Cb 1.15 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 3kom h PRO 254 CO 0.69 0.57 -1.56 0.39 -0.21 0.00 0.00 178.00 177.88 3kom n GLU 255 N -4.45 0.63 -0.00 1.05 4.71 -1.26 -4.61 120.64 116.71 3kom n GLU 255 Ca 0.09 0.23 0.02 0.00 -0.01 0.00 0.00 57.16 57.49 3kom n GLU 255 Cb 0.11 -1.79 -0.04 0.00 -1.01 0.00 0.00 31.44 28.72 3kom n GLU 255 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3kom n LYS 256 N -2.92 1.28 -1.64 3.49 4.76 -1.21 -5.01 118.16 116.92 3kom n LYS 256 Ca -0.13 -0.04 -0.46 0.00 -2.87 0.00 0.00 58.31 54.81 3kom n LYS 256 Cb 0.91 -1.04 -0.04 0.00 -1.84 0.00 0.00 35.03 33.03 3kom n LYS 256 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kom n ALA 257 N -1.55 1.24 -1.19 7.82 0.00 -0.62 -4.67 120.51 121.54 3kom n ALA 257 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3kom n ALA 257 Cb 0.12 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 16.94 3kom n ALA 257 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kom n GLY 258 N 4.94 0.53 2.74 0.00 0.00 0.52 -4.94 105.19 108.99 3kom n GLY 258 Ca 0.25 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 3kom n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kom n GLY 264 N -0.67 5.38 3.18 -0.02 0.00 -1.26 -4.92 105.19 106.88 3kom n GLY 264 Ca 0.00 -2.75 -0.29 0.00 0.00 0.00 0.00 46.02 42.98 3kom n GLY 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kom s SER 265 N -2.78 2.55 0.28 1.61 0.01 -1.26 -4.60 113.70 109.52 3kom s SER 265 Ca 0.43 -0.43 -0.28 0.00 1.31 0.00 0.00 55.95 56.98 3kom s SER 265 Cb 0.21 -0.81 -0.14 0.00 0.21 0.00 0.00 66.02 65.49 3kom s SER 265 CO -0.08 0.17 1.02 -2.65 0.41 0.00 0.00 173.24 172.12 3kom n PRO 266 N 3.19 1.35 -2.06 12.44 -0.02 -1.24 -4.73 135.00 143.93 3kom n PRO 266 Ca -0.18 0.48 -0.36 0.00 -2.02 0.00 0.00 63.50 61.41 3kom n PRO 266 Cb 0.53 -1.85 0.02 0.00 -0.02 0.00 0.00 33.50 32.17 3kom n PRO 266 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kom s LEU 267 N 0.45 3.78 0.92 2.45 1.02 -1.26 -4.96 118.68 121.07 3kom s LEU 267 Ca 0.59 2.41 -0.12 0.00 0.02 0.00 0.00 54.13 57.03 3kom s LEU 267 Cb -0.71 -4.47 0.14 0.00 0.02 0.00 0.00 46.19 41.17 3kom s LEU 267 CO 0.60 -1.41 1.12 -0.94 0.02 0.00 0.00 176.35 175.74 3kom s SER 268 N -1.46 3.42 0.27 2.29 1.04 -1.26 -4.70 113.70 113.30 3kom s SER 268 Ca 0.73 1.07 -0.00 0.00 0.48 0.00 0.00 55.95 58.23 3kom s SER 268 Cb -0.31 -1.69 0.51 0.00 0.10 0.00 0.00 66.02 64.62 3kom s SER 268 CO 0.35 -2.62 1.83 -0.78 0.98 0.00 0.00 173.24 173.00 3kom h ASP 269 N -1.54 0.86 0.15 7.02 3.58 -1.99 -0.63 116.42 123.86 3kom h ASP 269 Ca -0.51 0.05 -0.16 0.00 0.42 0.00 0.00 57.03 56.83 3kom h ASP 269 Cb 1.32 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 3kom h ASP 269 CO 0.60 0.46 -0.59 -0.61 -2.88 0.00 0.00 179.24 176.23 3kom h GLN 270 N 0.94 0.45 -0.04 0.28 4.15 -1.99 -2.10 115.11 116.80 3kom h GLN 270 Ca 0.47 -0.30 -0.18 0.00 0.77 0.00 0.00 58.65 59.41 3kom h GLN 270 Cb 0.45 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 3kom h GLN 270 CO -0.26 0.91 -0.76 0.93 -1.93 0.00 0.00 178.83 177.72 3kom h GLU 271 N 0.34 0.29 -0.25 1.69 5.08 -1.83 -2.13 114.58 117.77 3kom h GLU 271 Ca -0.00 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3kom h GLU 271 Cb 1.13 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3kom h GLU 271 CO 0.10 0.92 0.13 -0.09 -1.00 0.00 0.00 179.01 179.07 3kom h ARG 272 N 0.19 0.36 -0.43 2.33 1.12 -1.01 -0.60 114.38 116.34 3kom h ARG 272 Ca -0.03 -0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 58.78 3kom h ARG 272 Cb 1.34 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 31.21 3kom h ARG 272 CO 0.12 0.35 0.24 0.00 -3.11 0.00 0.00 179.97 177.58 3kom h ALA 273 N 0.99 1.62 0.14 2.80 0.00 -1.30 -1.83 119.26 121.68 3kom h ALA 273 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kom h ALA 273 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kom h ALA 273 CO -0.01 0.33 -0.07 1.03 0.00 0.00 0.00 179.25 180.53 3kom h SER 274 N 0.59 -0.16 -0.80 0.00 0.87 -1.06 -2.30 113.55 110.69 3kom h SER 274 Ca 0.15 -0.33 0.15 0.00 -1.23 0.00 0.00 61.79 60.53 3kom h SER 274 Cb 0.01 0.04 -0.10 0.00 -0.44 0.00 0.00 62.40 61.91 3kom h SER 274 CO -0.03 0.27 0.36 0.00 -0.53 0.00 0.00 176.83 176.91 3kom h ALA 275 N 0.11 1.16 -0.26 6.23 0.00 -0.95 0.33 119.26 125.88 3kom h ALA 275 Ca -0.02 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kom h ALA 275 Cb 0.48 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3kom h ALA 275 CO 0.03 -0.17 0.16 0.00 0.00 0.00 0.00 179.25 179.27 3kom h ALA 276 N 1.56 0.32 0.09 0.00 0.00 -1.26 0.23 119.26 120.20 3kom h ALA 276 Ca 0.44 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.35 3kom h ALA 276 Cb 0.66 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3kom h ALA 276 CO -0.39 -0.22 -0.16 -0.22 0.00 0.00 0.00 179.25 178.25 3kom h LYS 277 N 0.32 -0.30 0.23 0.00 1.63 -0.78 0.61 116.57 118.28 3kom h LYS 277 Ca 0.10 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.93 3kom h LYS 277 Cb -0.02 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 3kom h LYS 277 CO -0.04 -0.20 -0.35 1.49 -3.45 0.00 0.00 179.45 176.90 3kom h GLU 278 N -0.31 -0.62 -0.05 1.90 4.57 -0.52 -2.30 114.58 117.24 3kom h GLU 278 Ca 0.02 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3kom h GLU 278 Cb 0.33 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3kom h GLU 278 CO -0.09 -0.41 0.00 1.28 -1.18 0.00 0.00 179.01 178.60 3kom n LEU 279 N -5.44 0.29 -3.78 1.64 4.77 0.78 -4.89 117.00 110.37 3kom n LEU 279 Ca -0.08 -0.14 -0.27 0.00 -0.03 0.00 0.00 56.01 55.49 3kom n LEU 279 Cb 0.35 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.45 3kom n LEU 279 CO 0.25 0.07 0.11 0.59 -1.33 0.00 0.00 177.39 177.08 3kom n ASN 280 N -0.37 -4.45 -4.45 -1.43 3.02 -0.17 -4.96 115.26 102.46 3kom n ASN 280 Ca 0.03 -0.72 -0.43 0.00 -0.03 0.00 0.00 54.58 53.43 3kom n ASN 280 Cb 0.05 -4.25 -0.10 0.00 -0.61 0.00 0.00 39.78 34.87 3kom n ASN 280 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3kom s TRP 281 N -3.37 3.24 -0.40 3.10 -0.11 0.20 -4.97 118.94 116.62 3kom s TRP 281 Ca 0.50 -0.62 0.05 0.00 1.22 0.00 0.00 56.10 57.25 3kom s TRP 281 Cb -0.24 -2.68 0.57 0.00 -1.50 0.00 0.00 33.47 29.62 3kom s TRP 281 CO 0.80 -0.62 1.71 -0.25 -4.62 0.00 0.00 176.95 173.97 3kom n ASP 282 N 5.18 3.74 -4.51 5.86 8.00 -1.26 -4.44 116.55 129.12 3kom n ASP 282 Ca -0.11 -3.72 -0.30 0.00 0.71 0.00 0.00 54.79 51.38 3kom n ASP 282 Cb 0.47 -0.75 -0.11 0.00 -0.02 0.00 0.00 41.12 40.71 3kom n ASP 282 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kom s TYR 283 N -3.36 2.60 1.16 1.24 1.51 -1.26 -5.13 117.35 114.10 3kom s TYR 283 Ca 0.53 -0.23 -0.19 0.00 -1.01 0.00 0.00 57.07 56.16 3kom s TYR 283 Cb 0.45 -1.39 0.28 0.00 -0.11 0.00 0.00 41.96 41.19 3kom s TYR 283 CO 0.05 0.38 1.18 -0.65 -1.11 0.00 0.00 175.55 175.39 3kom s GLN 284 N -2.06 -0.92 0.02 -0.62 -0.21 -1.26 -4.87 119.66 109.75 3kom s GLN 284 Ca 0.18 -0.25 -0.34 0.00 0.02 0.00 0.00 55.36 54.98 3kom s GLN 284 Cb -0.11 -1.65 -0.12 0.00 1.00 0.00 0.00 33.01 32.13 3kom s GLN 284 CO 0.10 -3.48 1.76 0.00 -2.12 0.00 0.00 175.29 171.55 3kom n ALA 285 N -4.56 1.15 -0.91 6.09 0.00 -1.26 -2.01 120.51 119.01 3kom n ALA 285 Ca 0.15 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3kom n ALA 285 Cb 0.60 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3kom n ALA 285 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kom n PHE 286 N 5.32 0.00 -2.94 0.00 3.72 -1.26 -4.99 117.46 117.30 3kom n PHE 286 Ca 0.20 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.19 3kom n PHE 286 Cb 0.30 -0.60 -0.05 0.00 -0.94 0.00 0.00 39.48 38.19 3kom n PHE 286 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3kom s GLU 287 N -0.51 4.18 -0.13 -1.08 2.12 -0.85 -5.04 118.70 117.39 3kom s GLU 287 Ca 0.00 0.86 0.01 0.00 0.36 0.00 0.00 54.97 56.20 3kom s GLU 287 Cb 0.00 -3.64 0.02 0.00 0.26 0.00 0.00 34.13 30.77 3kom s GLU 287 CO 0.00 -0.47 -0.15 0.42 -0.54 0.00 0.00 175.26 174.52 3kom s ILE 288 N 2.67 1.56 0.71 -3.70 -1.09 -1.26 -4.65 121.20 115.44 3kom s ILE 288 Ca 0.33 -0.65 -0.11 0.00 -2.23 0.00 0.00 60.65 57.99 3kom s ILE 288 Cb -0.15 -1.44 0.02 0.00 -1.58 0.00 0.00 42.46 39.30 3kom s ILE 288 CO 0.08 0.45 1.07 -2.16 -1.23 0.00 0.00 174.94 173.15 3kom s PRO 289 N 1.25 2.82 0.23 2.79 0.04 -1.26 -4.92 135.00 135.95 3kom s PRO 289 Ca -0.00 0.82 -0.07 0.00 0.04 0.00 0.00 61.00 61.78 3kom s PRO 289 Cb -0.14 -1.99 0.27 0.00 0.04 0.00 0.00 34.50 32.68 3kom s PRO 289 CO -0.06 -1.14 1.85 1.96 0.04 0.00 0.00 177.00 179.64 3kom h GLN 290 N -0.75 0.90 -0.07 4.56 4.20 -2.00 -2.42 115.11 119.53 3kom h GLN 290 Ca -0.45 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.20 3kom h GLN 290 Cb 1.22 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 3kom h GLN 290 CO 0.59 0.59 0.02 -0.44 -0.67 0.00 0.00 178.83 178.92 3kom h ASP 291 N 0.92 0.08 -0.15 1.46 3.32 -1.99 0.87 116.42 120.94 3kom h ASP 291 Ca 0.33 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 3kom h ASP 291 Cb 0.10 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3kom h ASP 291 CO -0.15 0.09 -0.08 0.58 -1.72 0.00 0.00 179.24 177.97 3kom h VAL 292 N 0.10 1.31 -0.22 -1.35 2.07 -1.82 -1.09 116.25 115.25 3kom h VAL 292 Ca 0.03 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 3kom h VAL 292 Cb 0.03 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3kom h VAL 292 CO -0.00 0.33 -0.06 1.88 0.02 0.00 0.00 177.57 179.73 3kom h TYR 293 N -0.02 0.35 -0.44 1.57 0.05 -1.22 -0.95 116.97 116.32 3kom h TYR 293 Ca 0.03 -0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 3kom h TYR 293 Cb 0.55 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 3kom h TYR 293 CO 0.07 0.41 -0.03 -0.22 -1.05 0.00 0.00 178.16 177.34 3kom h LYS 294 N 0.33 0.80 -0.52 4.88 1.63 -0.68 0.63 116.57 123.64 3kom h LYS 294 Ca 0.07 -0.27 -0.04 0.00 -0.85 0.00 0.00 60.65 59.56 3kom h LYS 294 Cb 0.33 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 3kom h LYS 294 CO 0.01 0.88 0.18 -0.92 -3.45 0.00 0.00 179.45 176.16 3kom h TYR 295 N 0.64 0.83 0.12 1.91 3.20 -0.82 -3.36 116.97 119.48 3kom h TYR 295 Ca 0.12 -0.07 -0.33 0.00 3.14 0.00 0.00 58.73 61.59 3kom h TYR 295 Cb 0.54 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3kom h TYR 295 CO 0.04 0.70 -1.70 -1.49 -1.64 0.00 0.00 178.16 174.07 3kom h TRP 296 N 0.71 0.46 -2.69 -3.82 4.06 -1.01 -3.47 115.95 110.19 3kom h TRP 296 Ca 0.17 -0.34 -0.53 0.00 2.06 0.00 0.00 58.89 60.26 3kom h TRP 296 Cb 0.24 -0.02 0.06 0.00 -1.00 0.00 0.00 29.16 28.45 3kom h TRP 296 CO 0.01 1.49 0.99 -3.47 -3.56 0.00 0.00 178.44 173.90 3kom n ASP 297 N -3.44 3.95 -0.18 -3.49 2.03 0.20 -4.20 116.55 111.42 3kom n ASP 297 Ca -0.22 1.07 0.04 0.00 0.52 0.00 0.00 54.79 56.20 3kom n ASP 297 Cb 1.05 -1.57 0.08 0.00 -0.72 0.00 0.00 41.12 39.96 3kom n ASP 297 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kom n ALA 298 N 3.80 2.16 -0.04 -1.67 0.00 0.12 -4.75 120.51 120.14 3kom n ALA 298 Ca 0.15 -1.51 -0.11 0.00 0.00 0.00 0.00 53.44 51.97 3kom n ALA 298 Cb 0.35 -0.21 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 3kom n ALA 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kom h ARG 299 N 0.45 0.21 0.15 0.00 3.08 -1.91 0.19 114.38 116.56 3kom h ARG 299 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3kom h ARG 299 Cb 0.73 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 3kom h ARG 299 CO 0.02 0.34 -0.12 1.49 -1.07 0.00 0.00 179.97 180.62 3kom h GLU 300 N 0.05 -0.27 -0.06 0.04 4.81 -1.96 0.47 114.58 117.66 3kom h GLU 300 Ca 0.04 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 3kom h GLU 300 Cb 0.21 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3kom h GLU 300 CO -0.00 -0.18 -0.40 1.57 -0.73 0.00 0.00 179.01 179.27 3kom h LYS 301 N -0.29 0.12 -0.18 1.92 2.10 -1.89 -3.00 116.57 115.36 3kom h LYS 301 Ca -0.00 -0.05 -0.09 0.00 -2.00 0.00 0.00 60.65 58.50 3kom h LYS 301 Cb 0.26 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 3kom h LYS 301 CO -0.01 0.50 -0.25 0.78 -2.00 0.00 0.00 179.45 178.47 3kom h GLY 302 N 1.21 0.52 1.46 0.07 0.00 -0.65 -2.26 103.07 103.42 3kom h GLY 302 Ca 0.01 -0.58 0.02 0.00 0.00 0.00 0.00 47.33 46.78 3kom h GLY 302 CO 0.06 0.52 0.34 -1.61 0.00 0.00 0.00 176.54 175.84 3kom h GLN 303 N 0.13 0.62 0.04 4.80 4.15 -0.88 -2.05 115.11 121.91 3kom h GLN 303 Ca 0.02 -0.04 -0.24 0.00 0.77 0.00 0.00 58.65 59.16 3kom h GLN 303 Cb 0.82 -0.14 0.02 0.00 0.21 0.00 0.00 27.48 28.39 3kom h GLN 303 CO 0.06 0.41 -0.97 0.00 -1.93 0.00 0.00 178.83 176.39 3kom h ALA 304 N 1.69 0.07 -0.45 3.38 0.00 -1.52 -1.45 119.26 120.99 3kom h ALA 304 Ca 0.19 -0.68 0.09 0.00 0.00 0.00 0.00 54.91 54.51 3kom h ALA 304 Cb -0.00 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 3kom h ALA 304 CO -0.05 0.59 -0.10 -0.07 0.00 0.00 0.00 179.25 179.62 3kom h LEU 305 N 0.21 -0.39 -0.06 0.00 3.38 -1.12 -0.37 115.31 116.95 3kom h LEU 305 Ca -0.13 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3kom h LEU 305 Cb 1.65 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.67 3kom h LEU 305 CO 0.19 -0.14 -0.09 -0.08 0.09 0.00 0.00 178.44 178.41 3kom h GLU 306 N 0.01 0.16 -0.51 1.13 4.81 -1.37 -2.50 114.58 116.32 3kom h GLU 306 Ca 0.22 -0.10 0.10 0.00 -0.13 0.00 0.00 59.36 59.45 3kom h GLU 306 Cb 0.33 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.64 3kom h GLU 306 CO -0.45 0.65 -0.00 0.00 -0.73 0.00 0.00 179.01 178.47 3kom h ALA 307 N 0.51 0.47 -0.43 2.92 0.00 -1.10 0.96 119.26 122.59 3kom h ALA 307 Ca 0.01 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.16 3kom h ALA 307 Cb 0.63 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 3kom h ALA 307 CO 0.02 -0.39 -0.11 -0.97 0.00 0.00 0.00 179.25 177.80 3kom h ASN 308 N 0.11 -0.41 -0.45 0.00 -1.24 -1.06 -2.46 115.58 110.07 3kom h ASN 308 Ca 0.26 0.13 -0.07 0.00 0.71 0.00 0.00 56.30 57.33 3kom h ASN 308 Cb 0.39 0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.69 3kom h ASN 308 CO -0.43 -0.15 0.05 -0.25 -1.29 0.00 0.00 177.43 175.36 3kom h TRP 309 N -0.00 0.88 0.00 0.67 7.01 -0.68 -1.62 115.95 122.20 3kom h TRP 309 Ca 0.21 -0.11 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 3kom h TRP 309 Cb 0.32 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.14 3kom h TRP 309 CO -0.38 0.78 -0.00 1.96 -2.79 0.00 0.00 178.44 178.01 3kom h GLN 310 N 0.79 0.00 -0.14 2.65 1.08 -0.41 0.24 115.11 119.32 3kom h GLN 310 Ca 0.16 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.15 3kom h GLN 310 Cb 0.41 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.85 3kom h GLN 310 CO 0.01 0.00 -0.74 0.78 -0.95 0.00 0.00 178.83 177.93 3kom h GLY 311 N 0.33 0.83 0.97 3.46 0.00 -1.08 -1.68 103.07 105.91 3kom h GLY 311 Ca -0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 47.33 46.14 3kom h GLY 311 CO 0.00 1.05 0.25 1.46 0.00 0.00 0.00 176.54 179.30 3kom h GLN 312 N 0.47 0.65 -0.75 4.80 1.08 -0.49 -1.58 115.11 119.29 3kom h GLN 312 Ca -0.05 -0.08 0.12 0.00 -1.45 0.00 0.00 58.65 57.19 3kom h GLN 312 Cb 1.38 -0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 28.60 3kom h GLN 312 CO 0.15 0.52 0.35 -0.09 -0.95 0.00 0.00 178.83 178.81 3kom h ARG 313 N 0.61 0.52 -0.85 1.46 2.43 -0.93 -2.07 114.38 115.55 3kom h ARG 313 Ca 0.16 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3kom h ARG 313 Cb 0.07 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 3kom h ARG 313 CO -0.02 0.35 0.47 -0.97 -1.51 0.00 0.00 179.97 178.28 3kom h ASN 314 N 0.54 1.06 0.29 -3.80 -0.73 -0.66 -1.94 115.58 110.33 3kom h ASN 314 Ca 0.39 -0.09 -0.04 0.00 1.87 0.00 0.00 56.30 58.43 3kom h ASN 314 Cb 0.52 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.83 3kom h ASN 314 CO -0.34 0.85 -0.20 -0.07 -0.37 0.00 0.00 177.43 177.30 3kom h LEU 315 N 1.19 0.00 0.00 0.34 3.38 -0.65 -1.16 115.31 118.40 3kom h LEU 315 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3kom h LEU 315 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kom h LEU 315 CO -0.05 0.20 0.00 0.33 0.09 0.00 0.00 178.44 179.01 3kom n PHE 316 N -4.05 0.00 0.27 1.13 7.35 -0.73 -4.05 117.46 117.37 3kom n PHE 316 Ca -0.02 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.80 3kom n PHE 316 Cb 0.28 -0.36 0.77 0.00 0.35 0.00 0.00 39.48 40.51 3kom n PHE 316 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 3kom h LYS 317 N 0.00 0.00 -0.01 -4.13 2.10 -1.19 -2.23 116.57 111.11 3kom h LYS 317 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kom h LYS 317 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 3kom h LYS 317 CO 0.00 0.09 -0.40 -0.25 -2.00 0.00 0.00 179.45 176.88 3kom n ASP 318 N -3.77 1.28 -4.79 7.07 8.00 -1.26 -4.88 116.55 118.20 3kom n ASP 318 Ca -0.02 -1.02 -0.35 0.00 0.71 0.00 0.00 54.79 54.11 3kom n ASP 318 Cb 0.19 0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 41.57 3kom n ASP 318 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3kom s SER 319 N -2.58 6.40 0.57 -2.24 0.01 -0.84 -4.94 113.70 110.08 3kom s SER 319 Ca 0.20 1.97 0.26 0.00 1.31 0.00 0.00 55.95 59.70 3kom s SER 319 Cb 0.18 -2.57 1.69 0.00 0.21 0.00 0.00 66.02 65.53 3kom s SER 319 CO 0.58 -0.74 2.23 -0.65 0.41 0.00 0.00 173.24 175.06 3kom h PRO 320 N 1.75 0.00 -0.45 12.44 0.11 -1.93 -2.24 132.00 141.68 3kom h PRO 320 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kom h PRO 320 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kom h PRO 320 CO 0.60 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.02 3kom n LYS 321 N -4.01 2.39 -0.06 1.05 5.02 -1.26 -4.54 118.16 116.75 3kom n LYS 321 Ca -0.03 -2.13 -0.11 0.00 -2.02 0.00 0.00 58.31 54.02 3kom n LYS 321 Cb 0.09 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 3kom n LYS 321 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3kom h PHE 322 N 3.89 0.34 -0.81 2.13 3.57 -1.64 -1.53 116.94 122.89 3kom h PHE 322 Ca 0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3kom h PHE 322 Cb 0.87 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 3kom h PHE 322 CO 0.30 0.44 0.52 -0.44 -2.23 0.00 0.00 178.31 176.89 3kom h ASP 323 N 0.14 0.94 -0.18 0.41 3.32 -1.80 -1.36 116.42 117.89 3kom h ASP 323 Ca 0.06 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3kom h ASP 323 Cb 0.27 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3kom h ASP 323 CO 0.00 0.70 0.01 -0.08 -1.72 0.00 0.00 179.24 178.15 3kom h GLU 324 N 1.10 0.31 -0.37 3.56 4.81 -1.85 -1.25 114.58 120.90 3kom h GLU 324 Ca 0.29 -0.10 0.08 0.00 -0.13 0.00 0.00 59.36 59.50 3kom h GLU 324 Cb -0.10 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.18 3kom h GLU 324 CO -0.06 0.51 -0.12 0.35 -0.73 0.00 0.00 179.01 178.96 3kom h PHE 325 N 0.07 -0.29 -0.38 0.92 3.57 -0.69 -0.28 116.94 119.87 3kom h PHE 325 Ca 0.05 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 3kom h PHE 325 Cb 0.37 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3kom h PHE 325 CO 0.03 -0.20 -0.03 0.93 -2.23 0.00 0.00 178.31 176.81 3kom h GLU 326 N -0.05 0.62 -0.17 1.11 4.39 -1.19 -2.24 114.58 117.04 3kom h GLU 326 Ca 0.18 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 3kom h GLU 326 Cb 0.32 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3kom h GLU 326 CO -0.40 0.66 -0.16 -0.09 -1.16 0.00 0.00 179.01 177.86 3kom h ARG 327 N 0.58 0.40 -0.30 2.33 2.43 0.04 -1.84 114.38 118.03 3kom h ARG 327 Ca 0.12 -0.21 -0.13 0.00 -0.81 0.00 0.00 59.98 58.94 3kom h ARG 327 Cb 0.42 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3kom h ARG 327 CO 0.02 0.77 -0.36 -0.39 -1.51 0.00 0.00 179.97 178.50 3kom h VAL 328 N 0.05 1.29 -0.48 0.20 -1.51 -1.04 -2.04 116.25 112.73 3kom h VAL 328 Ca 0.03 -1.51 -0.06 0.00 -1.23 0.00 0.00 66.70 63.93 3kom h VAL 328 Cb 0.69 1.44 -0.02 0.00 -2.13 0.00 0.00 31.29 31.27 3kom h VAL 328 CO 0.04 0.49 0.03 -0.07 -1.23 0.00 0.00 177.57 176.83 3kom h LEU 329 N 0.56 0.73 -0.66 4.19 3.38 -1.40 -1.70 115.31 120.41 3kom h LEU 329 Ca 0.06 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3kom h LEU 329 Cb 0.87 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3kom h LEU 329 CO 0.08 0.78 0.00 -1.20 0.09 0.00 0.00 178.44 178.18 3kom n SER 330 N -4.24 0.60 -1.97 -0.43 7.64 -0.69 -4.75 113.62 109.78 3kom n SER 330 Ca 0.03 0.65 -0.16 0.00 1.01 0.00 0.00 58.87 60.40 3kom n SER 330 Cb 0.28 -0.78 0.01 0.00 -1.01 0.00 0.00 64.21 62.70 3kom n SER 330 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3kom n LYS 331 N -2.17 -2.14 -3.69 1.43 5.02 -0.64 -5.03 118.16 110.94 3kom n LYS 331 Ca 0.02 0.73 -0.30 0.00 -2.02 0.00 0.00 58.31 56.73 3kom n LYS 331 Cb 0.22 -5.09 -0.04 0.00 -0.02 0.00 0.00 35.03 30.09 3kom n LYS 331 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3kom s GLU 332 N -5.01 3.57 0.44 1.97 0.41 -0.94 -5.05 118.70 114.11 3kom s GLU 332 Ca 0.08 -0.19 -0.12 0.00 -0.41 0.00 0.00 54.97 54.33 3kom s GLU 332 Cb -0.04 -2.86 -0.06 0.00 -1.78 0.00 0.00 34.13 29.39 3kom s GLU 332 CO 0.10 0.45 0.83 -0.51 -0.49 0.00 0.00 175.26 175.65 3kom s LEU 333 N -2.86 3.75 0.47 1.80 1.43 -1.26 -4.65 118.68 117.35 3kom s LEU 333 Ca 0.40 1.23 -0.23 0.00 -1.03 0.00 0.00 54.13 54.49 3kom s LEU 333 Cb -0.12 -4.13 -0.07 0.00 0.03 0.00 0.00 46.19 41.90 3kom s LEU 333 CO 0.26 -0.47 1.24 -2.84 0.23 0.00 0.00 176.35 174.77 3kom s PRO 334 N -4.00 3.66 0.48 1.29 0.02 -1.26 -4.93 135.00 130.27 3kom s PRO 334 Ca 0.53 1.96 0.23 0.00 0.02 0.00 0.00 61.00 63.74 3kom s PRO 334 Cb -0.10 -2.45 1.22 0.00 0.02 0.00 0.00 34.50 33.19 3kom s PRO 334 CO 0.33 -0.68 2.00 -0.39 -0.33 0.00 0.00 177.00 177.92 3kom h VAL 335 N 1.90 0.74 -0.01 3.83 -1.51 -1.97 -2.68 116.25 116.56 3kom h VAL 335 Ca -0.50 -0.73 0.00 0.00 -1.23 0.00 0.00 66.70 64.25 3kom h VAL 335 Cb 1.26 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.86 3kom h VAL 335 CO 0.60 0.18 -0.07 0.61 -1.23 0.00 0.00 177.57 177.65 3kom n GLY 336 N -0.60 -0.62 0.21 5.19 0.00 -1.26 -4.25 105.19 103.87 3kom n GLY 336 Ca -0.02 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 3kom n GLY 336 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kom h LEU 337 N 1.10 0.65 -0.57 0.99 5.85 -1.87 -2.08 115.31 119.38 3kom h LEU 337 Ca 0.00 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.49 3kom h LEU 337 Cb 0.35 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 3kom h LEU 337 CO 0.00 0.76 0.30 -0.33 -0.34 0.00 0.00 178.44 178.84 3kom h GLU 338 N 0.51 0.56 -0.54 1.25 4.39 -1.80 -0.37 114.58 118.57 3kom h GLU 338 Ca 0.12 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.69 3kom h GLU 338 Cb 0.41 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3kom h GLU 338 CO 0.01 0.37 -0.04 1.03 -1.16 0.00 0.00 179.01 179.22 3kom h SER 339 N 0.57 0.97 -0.70 1.42 0.87 -1.82 -1.87 113.55 113.00 3kom h SER 339 Ca 0.25 -0.32 0.02 0.00 -1.23 0.00 0.00 61.79 60.51 3kom h SER 339 Cb 0.16 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.81 3kom h SER 339 CO -0.17 1.06 0.45 0.00 -0.53 0.00 0.00 176.83 177.64 3kom h ALA 340 N 0.94 0.90 -0.03 6.23 0.00 -0.74 -0.47 119.26 126.09 3kom h ALA 340 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kom h ALA 340 Cb 0.58 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kom h ALA 340 CO 0.03 0.27 -0.00 0.82 0.00 0.00 0.00 179.25 180.37 3kom h ILE 341 N 0.91 1.27 -0.78 0.00 2.04 -0.99 -2.05 117.51 117.90 3kom h ILE 341 Ca 0.27 -0.82 0.13 0.00 1.00 0.00 0.00 64.86 65.43 3kom h ILE 341 Cb -0.05 1.78 -0.09 0.00 -0.74 0.00 0.00 36.82 37.72 3kom h ILE 341 CO -0.08 0.22 0.38 0.78 0.00 0.00 0.00 178.15 179.45 3kom h ASN 342 N -0.28 0.44 -0.81 1.72 2.35 -1.26 0.12 115.58 117.86 3kom h ASN 342 Ca 0.01 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3kom h ASN 342 Cb 0.36 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 3kom h ASN 342 CO 0.00 0.20 0.51 0.44 -1.65 0.00 0.00 177.43 176.94 3kom h ASP 343 N 0.57 0.95 0.01 5.81 3.32 -1.00 -0.21 116.42 125.88 3kom h ASP 343 Ca 0.42 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 3kom h ASP 343 Cb 0.56 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3kom h ASP 343 CO -0.35 0.71 -0.01 0.22 -1.72 0.00 0.00 179.24 178.10 3kom h TYR 344 N 1.11 -0.02 -0.61 4.55 5.03 -0.46 -1.00 116.97 125.57 3kom h TYR 344 Ca 0.29 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.60 3kom h TYR 344 Cb -0.09 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.17 3kom h TYR 344 CO -0.01 0.06 0.35 0.82 -1.32 0.00 0.00 178.16 178.06 3kom h ILE 345 N -0.09 1.19 -0.82 1.81 2.04 -0.67 -1.41 117.51 119.55 3kom h ILE 345 Ca -0.00 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3kom h ILE 345 Cb 0.09 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 3kom h ILE 345 CO 0.00 0.20 0.43 0.00 0.00 0.00 0.00 178.15 178.78 3kom h ALA 346 N 1.17 1.20 -0.48 1.87 0.00 -0.88 -2.00 119.26 120.13 3kom h ALA 346 Ca 0.22 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3kom h ALA 346 Cb 0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3kom h ALA 346 CO -0.04 0.63 0.30 1.03 0.00 0.00 0.00 179.25 181.17 3kom h SER 347 N 1.16 0.50 -0.09 0.00 0.87 -0.70 -2.33 113.55 112.96 3kom h SER 347 Ca 0.29 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.78 3kom h SER 347 Cb 0.06 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3kom h SER 347 CO -0.04 0.36 -0.12 1.56 -0.53 0.00 0.00 176.83 178.05 3kom h GLN 348 N 0.61 0.42 -0.02 2.24 1.08 -0.84 -0.08 115.11 118.52 3kom h GLN 348 Ca 0.19 -0.12 -0.10 0.00 -1.45 0.00 0.00 58.65 57.17 3kom h GLN 348 Cb -0.02 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 3kom h GLN 348 CO -0.07 0.55 -0.46 -0.07 -0.95 0.00 0.00 178.83 177.84 3kom h LEU 349 N 0.40 0.06 0.00 1.46 3.38 -1.11 -2.90 115.31 116.60 3kom h LEU 349 Ca 0.08 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3kom h LEU 349 Cb 0.46 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3kom h LEU 349 CO 0.03 0.51 -0.63 -1.28 0.09 0.00 0.00 178.44 177.16 3kom h SER 350 N 0.05 0.00 -1.95 -0.43 0.87 -0.94 -3.40 113.55 107.74 3kom h SER 350 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 3kom h SER 350 Cb 0.83 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 62.40 3kom h SER 350 CO 0.06 0.33 -1.12 0.59 -0.53 0.00 0.00 176.83 176.16 3kom n ASN 351 N -3.05 0.29 -4.76 6.23 4.13 -0.09 -5.10 115.26 112.91 3kom n ASN 351 Ca 0.00 -2.80 -0.41 0.00 1.68 0.00 0.00 54.58 53.05 3kom n ASN 351 Cb 0.68 -0.58 -0.02 0.00 -1.54 0.00 0.00 39.78 38.33 3kom n ASN 351 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 3kom s PRO 352 N -1.49 4.27 0.09 3.52 0.02 -1.11 -4.73 135.00 135.57 3kom s PRO 352 Ca 0.36 2.33 0.05 0.00 0.02 0.00 0.00 61.00 63.76 3kom s PRO 352 Cb 0.22 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.65 3kom s PRO 352 CO -0.10 -0.34 -0.14 0.14 -0.33 0.00 0.00 177.00 176.23 3kom s VAL 353 N -0.79 1.19 -0.52 3.83 -7.23 -1.26 -5.06 120.40 110.55 3kom s VAL 353 Ca 0.53 -1.50 -0.18 0.00 -1.81 0.00 0.00 61.98 59.02 3kom s VAL 353 Cb -0.42 -1.29 0.08 0.00 0.56 0.00 0.00 36.38 35.32 3kom s VAL 353 CO 0.52 -0.32 0.57 -0.75 -0.31 0.00 0.00 175.10 174.81 3kom s LYS 354 N -2.20 3.05 0.20 4.82 2.20 -1.26 -4.39 119.74 122.16 3kom s LYS 354 Ca 0.03 -1.22 0.03 0.00 -0.36 0.00 0.00 55.97 54.45 3kom s LYS 354 Cb -0.07 -4.17 -0.05 0.00 -1.51 0.00 0.00 37.83 32.02 3kom s LYS 354 CO 0.02 -1.27 -0.01 0.14 -0.36 0.00 0.00 175.35 173.87 3kom s VAL 355 N 2.27 0.91 0.54 4.02 -7.23 -1.14 -4.73 120.40 115.04 3kom s VAL 355 Ca 0.10 -2.02 -0.20 0.00 -1.81 0.00 0.00 61.98 58.06 3kom s VAL 355 Cb -0.23 -2.21 -0.06 0.00 0.56 0.00 0.00 36.38 34.44 3kom s VAL 355 CO 0.08 -0.42 1.12 0.00 -0.31 0.00 0.00 175.10 175.56 3kom s ALA 356 N -3.50 2.72 -0.04 1.32 0.00 -1.26 -1.42 121.76 119.58 3kom s ALA 356 Ca 0.26 0.79 0.31 0.00 0.00 0.00 0.00 51.96 53.32 3kom s ALA 356 Cb 0.05 -3.35 1.33 0.00 0.00 0.00 0.00 23.12 21.15 3kom s ALA 356 CO 0.06 -0.70 1.92 1.79 0.00 0.00 0.00 175.76 178.83 3kom h THR 357 N 1.25 0.00 -0.79 0.00 1.35 -1.79 -1.12 112.91 111.82 3kom h THR 357 Ca -0.50 -0.37 -0.02 0.00 -0.55 0.00 0.00 66.41 64.97 3kom h THR 357 Cb 1.26 1.28 -0.04 0.00 -1.73 0.00 0.00 68.15 68.92 3kom h THR 357 CO 0.57 0.00 0.43 -0.09 -0.25 0.00 0.00 175.52 176.18 3kom h ARG 358 N 0.00 1.10 -0.29 4.72 2.43 -1.88 0.14 114.38 120.61 3kom h ARG 358 Ca 0.00 -0.13 -0.19 0.00 -0.81 0.00 0.00 59.98 58.85 3kom h ARG 358 Cb 0.42 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3kom h ARG 358 CO 0.00 0.81 -0.56 -0.22 -1.51 0.00 0.00 179.97 178.50 3kom h LYS 359 N 1.10 0.88 -0.91 0.20 1.63 -1.63 -2.53 116.57 115.30 3kom h LYS 359 Ca 0.28 -0.57 0.06 0.00 -0.85 0.00 0.00 60.65 59.57 3kom h LYS 359 Cb 0.03 0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 31.67 3kom h LYS 359 CO -0.04 1.20 0.60 0.00 -3.45 0.00 0.00 179.45 177.75 3kom h ALA 360 N 0.68 1.48 -0.34 5.00 0.00 -0.94 -2.51 119.26 122.63 3kom h ALA 360 Ca 0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3kom h ALA 360 Cb 1.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3kom h ALA 360 CO 0.12 0.39 -0.06 1.03 0.00 0.00 0.00 179.25 180.74 3kom h SER 361 N 1.07 0.63 0.00 0.00 0.87 -0.80 -0.57 113.55 114.75 3kom h SER 361 Ca 0.39 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3kom h SER 361 Cb 0.15 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 3kom h SER 361 CO -0.14 0.83 0.00 1.67 -0.53 0.00 0.00 176.83 178.66 3kom n GLN 362 N -4.45 0.13 0.00 2.24 7.27 -0.95 -0.96 117.38 120.65 3kom n GLN 362 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 3kom n GLN 362 Cb 0.32 -1.39 0.00 0.00 2.41 0.00 0.00 30.24 31.57 3kom n GLN 362 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3kom n VAL 364 N 0.88 0.00 0.15 1.69 0.31 -0.22 -1.90 118.33 119.24 3kom n VAL 364 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 3kom n VAL 364 Cb 0.06 0.00 0.53 0.00 -0.91 0.00 0.00 33.84 33.52 3kom n VAL 364 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3kom h LEU 365 N 0.00 0.19 -0.52 7.52 3.38 -1.31 -0.36 115.31 124.20 3kom h LEU 365 Ca 0.00 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.06 3kom h LEU 365 Cb 0.00 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 3kom h LEU 365 CO 0.00 0.18 0.02 -0.33 0.09 0.00 0.00 178.44 178.39 3kom h GLU 366 N 0.21 0.13 -0.04 1.13 4.39 -1.65 0.32 114.58 119.08 3kom h GLU 366 Ca 0.06 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 3kom h GLU 366 Cb 0.05 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3kom h GLU 366 CO -0.01 0.09 -0.06 0.28 -1.16 0.00 0.00 179.01 178.15 3kom h VAL 367 N 0.14 1.42 -0.36 3.13 2.07 -1.56 -2.62 116.25 118.46 3kom h VAL 367 Ca 0.26 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 3kom h VAL 367 Cb 0.39 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3kom h VAL 367 CO -0.42 0.36 0.07 -0.07 0.02 0.00 0.00 177.57 177.53 3kom h LEU 368 N -0.40 0.57 -0.96 2.57 3.38 -0.80 -2.78 115.31 116.90 3kom h LEU 368 Ca 0.00 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 3kom h LEU 368 Cb 0.62 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3kom h LEU 368 CO 0.01 0.68 -0.50 0.00 0.09 0.00 0.00 178.44 178.72 3kom h LYS 370 N 0.04 0.50 -1.10 0.00 3.64 -1.35 -3.38 116.57 114.93 3kom h LYS 370 Ca -0.00 -0.15 -0.27 0.00 -1.27 0.00 0.00 60.65 58.96 3kom h LYS 370 Cb 0.90 -0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 32.52 3kom h LYS 370 CO 0.07 0.63 0.34 0.09 -2.27 0.00 0.00 179.45 178.31 3kom n ASN 371 N -4.20 3.98 0.00 4.20 4.13 -0.94 -5.12 115.26 117.32 3kom n ASN 371 Ca 0.00 -2.84 0.00 0.00 1.68 0.00 0.00 54.58 53.42 3kom n ASN 371 Cb 0.33 -0.74 0.00 0.00 -1.54 0.00 0.00 39.78 37.83 3kom n ASN 371 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3kom n PRO 373 N -0.18 1.93 -2.24 3.52 -0.04 -1.26 -4.79 135.00 131.94 3kom n PRO 373 Ca 0.29 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.43 3kom n PRO 373 Cb 0.98 -0.18 -0.04 0.00 -0.04 0.00 0.00 33.50 34.21 3kom n PRO 373 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3kom s GLU 374 N -0.11 2.98 0.00 0.54 1.03 -1.26 -5.02 118.70 116.86 3kom s GLU 374 Ca 0.00 -1.15 0.00 0.00 0.03 0.00 0.00 54.97 53.85 3kom s GLU 374 Cb 0.00 -5.28 0.00 0.00 -0.80 0.00 0.00 34.13 28.05 3kom s GLU 374 CO 0.00 -3.24 0.00 0.34 -1.33 0.00 0.00 175.26 171.03 3kom n PHE 376 N 12.26 0.00 -2.65 4.83 7.35 -0.51 -0.63 117.46 138.11 3kom n PHE 376 Ca 0.43 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.90 3kom n PHE 376 Cb 0.47 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.34 3kom n PHE 376 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3kom s GLY 377 N 0.00 1.76 -0.04 7.13 0.00 -0.77 -1.77 107.32 113.63 3kom s GLY 377 Ca 0.00 -1.21 -0.31 0.00 0.00 0.00 0.00 44.72 43.20 3kom s GLY 377 CO 0.00 -0.94 1.28 -0.32 0.00 0.00 0.00 173.10 173.12 3kom s GLY 378 N -4.39 -0.40 0.03 0.20 0.00 -0.85 -0.91 107.32 101.00 3kom s GLY 378 Ca 0.56 0.81 -0.03 0.00 0.00 0.00 0.00 44.72 46.05 3kom s GLY 378 CO 0.39 0.17 0.05 -1.35 0.00 0.00 0.00 173.10 172.36 3kom s SER 379 N -2.88 0.22 -1.08 1.64 1.04 -1.05 -1.64 113.70 109.96 3kom s SER 379 Ca 0.14 -0.55 -0.07 0.00 0.48 0.00 0.00 55.95 55.94 3kom s SER 379 Cb 0.04 0.18 0.27 0.00 0.10 0.00 0.00 66.02 66.62 3kom s SER 379 CO -0.04 -0.45 1.11 0.00 0.98 0.00 0.00 173.24 174.84 3kom n ALA 380 N 0.99 4.28 -3.62 5.32 0.00 -0.92 -1.17 120.51 125.40 3kom n ALA 380 Ca -0.20 -4.68 -0.08 0.00 0.00 0.00 0.00 53.44 48.48 3kom n ALA 380 Cb 0.57 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.68 3kom n ALA 380 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3kom s ASP 381 N 0.69 -0.15 0.38 0.00 1.47 -1.04 -4.54 116.67 113.48 3kom s ASP 381 Ca 0.31 -0.78 0.15 0.00 1.18 0.00 0.00 52.55 53.41 3kom s ASP 381 Cb -0.08 0.69 0.76 0.00 -0.34 0.00 0.00 42.92 43.96 3kom s ASP 381 CO -0.07 -1.31 1.82 -0.07 0.68 0.00 0.00 175.17 176.23 3kom h LEU 382 N 2.08 0.00 0.00 2.11 3.38 -1.96 -3.38 115.31 117.55 3kom h LEU 382 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3kom h LEU 382 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3kom h LEU 382 CO 0.29 0.37 0.00 1.07 0.09 0.00 0.00 178.44 180.25 3kom n THR 383 N -3.95 0.00 -2.70 0.22 5.66 -1.26 -5.12 114.28 107.13 3kom n THR 383 Ca -0.02 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.68 3kom n THR 383 Cb 0.42 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.18 3kom n THR 383 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3kom n SER 385 N 0.00 5.26 0.01 1.09 7.64 -1.26 -5.20 113.62 121.16 3kom n SER 385 Ca 0.00 -3.71 -0.14 0.00 1.01 0.00 0.00 58.87 56.03 3kom n SER 385 Cb 0.00 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 62.50 3kom n SER 385 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3kom h ASN 386 N 3.09 0.75 -4.73 6.43 2.35 -1.97 -3.46 115.58 118.04 3kom h ASN 386 Ca 0.27 -0.49 -0.28 0.00 -0.55 0.00 0.00 56.30 55.25 3kom h ASN 386 Cb 0.53 -0.22 0.12 0.00 0.05 0.00 0.00 38.32 38.80 3kom h ASN 386 CO 0.94 1.27 -0.55 0.59 -1.65 0.00 0.00 177.43 178.02 3kom n ASN 387 N -3.90 -3.62 0.06 5.81 3.02 -1.26 -4.92 115.26 110.47 3kom n ASN 387 Ca -0.06 -0.44 0.12 0.00 -0.03 0.00 0.00 54.58 54.17 3kom n ASN 387 Cb 0.73 -3.99 0.19 0.00 -0.61 0.00 0.00 39.78 36.10 3kom n ASN 387 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3kom n THR 388 N -3.87 0.38 -3.16 3.41 -2.24 -1.26 -4.13 114.28 103.41 3kom n THR 388 Ca -0.11 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.07 3kom n THR 388 Cb 0.59 -0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 68.60 3kom n THR 388 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3kom s ASN 389 N -4.26 6.68 0.38 3.42 4.22 -1.26 -4.81 114.94 119.31 3kom s ASN 389 Ca 0.07 1.15 0.06 0.00 -2.14 0.00 0.00 52.86 52.00 3kom s ASN 389 Cb 0.13 -2.32 -0.07 0.00 1.28 0.00 0.00 41.25 40.27 3kom s ASN 389 CO 0.71 -0.21 0.01 -1.66 -2.04 0.00 0.00 177.10 173.91 3kom s TRP 390 N -2.02 2.36 0.65 1.54 1.48 -1.26 -4.95 118.94 116.74 3kom s TRP 390 Ca 0.52 -0.73 0.38 0.00 -1.06 0.00 0.00 56.10 55.20 3kom s TRP 390 Cb -0.10 -1.62 2.10 0.00 -1.16 0.00 0.00 33.47 32.69 3kom s TRP 390 CO 0.21 0.35 2.24 0.66 -4.06 0.00 0.00 176.95 176.35 3kom h SER 391 N 1.88 0.00 -0.31 -2.66 4.64 -1.95 0.14 113.55 115.29 3kom h SER 391 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3kom h SER 391 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kom h SER 391 CO 0.77 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 3kom n GLY 392 N -1.19 1.25 3.74 -0.77 0.00 -1.26 -4.96 105.19 102.00 3kom n GLY 392 Ca -0.02 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 3kom n GLY 392 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kom n SER 393 N 1.13 3.74 -3.87 1.61 7.64 0.48 -4.93 113.62 119.41 3kom n SER 393 Ca 0.18 1.16 -0.27 0.00 1.01 0.00 0.00 58.87 60.95 3kom n SER 393 Cb 0.52 -1.58 -0.17 0.00 -1.01 0.00 0.00 64.21 61.97 3kom n SER 393 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kom s VAL 394 N -0.22 0.96 -0.11 0.44 1.01 -1.26 -4.99 120.40 116.22 3kom s VAL 394 Ca 0.62 -0.39 -0.25 0.00 0.00 0.00 0.00 61.98 61.96 3kom s VAL 394 Cb -0.51 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 3kom s VAL 394 CO 0.51 0.23 0.81 0.26 0.00 0.00 0.00 175.10 176.91 3kom s TRP 395 N 1.72 3.50 0.60 5.22 0.52 -1.26 -1.41 118.94 127.83 3kom s TRP 395 Ca 0.03 1.30 0.31 0.00 0.02 0.00 0.00 56.10 57.76 3kom s TRP 395 Cb -0.14 -2.96 1.76 0.00 -1.15 0.00 0.00 33.47 30.99 3kom s TRP 395 CO -0.08 -0.10 2.14 1.25 0.02 0.00 0.00 176.95 180.18 3kom h LEU 396 N 7.62 0.00 -2.01 2.99 5.85 -0.92 -0.00 115.31 128.85 3kom h LEU 396 Ca -0.35 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 3kom h LEU 396 Cb 1.16 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 3kom h LEU 396 CO 0.80 0.00 -0.08 0.78 -0.34 0.00 0.00 178.44 179.60 3kom h ASN 397 N 0.00 0.00 0.00 1.25 2.35 -1.91 -3.25 115.58 114.01 3kom h ASN 397 Ca 0.06 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.48 3kom h ASN 397 Cb 0.38 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 3kom h ASN 397 CO -0.00 0.08 -2.18 0.59 -1.65 0.00 0.00 177.43 174.27 3kom n ASN 398 N -3.46 2.16 -3.69 5.81 5.03 -0.10 -5.06 115.26 115.96 3kom n ASN 398 Ca -0.02 -0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.29 3kom n ASN 398 Cb 0.22 -0.41 -0.08 0.00 -1.02 0.00 0.00 39.78 38.49 3kom n ASN 398 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 3kom s THR 399 N -2.41 0.03 -0.07 3.41 -1.32 -0.71 -5.06 115.64 109.51 3kom s THR 399 Ca -0.28 -0.22 -0.01 0.00 -1.21 0.00 0.00 61.69 59.97 3kom s THR 399 Cb 0.08 -0.71 -0.26 0.00 -1.51 0.00 0.00 72.50 70.10 3kom s THR 399 CO 0.45 -0.12 0.55 0.06 -2.21 0.00 0.00 174.62 173.34 3kom h GLN 400 N 4.15 0.20 -6.04 7.08 3.07 -1.85 -3.33 115.11 118.40 3kom h GLN 400 Ca -0.28 -0.35 -0.62 0.00 0.09 0.00 0.00 58.65 57.49 3kom h GLN 400 Cb 1.17 0.13 -0.00 0.00 0.08 0.00 0.00 27.48 28.86 3kom h GLN 400 CO 0.34 1.02 1.41 -1.91 0.09 0.00 0.00 178.83 179.78 3kom n GLU 401 N -3.37 1.76 -1.05 0.06 4.07 -1.26 -1.60 120.64 119.26 3kom n GLU 401 Ca -0.25 0.52 -0.02 0.00 -0.06 0.00 0.00 57.16 57.36 3kom n GLU 401 Cb 1.05 -2.91 -0.01 0.00 -0.06 0.00 0.00 31.44 29.51 3kom n GLU 401 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kom n GLY 402 N 5.78 0.48 3.71 8.31 0.00 -1.26 -4.98 105.19 117.23 3kom n GLY 402 Ca 0.32 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3kom n GLY 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kom n ALA 403 N 1.03 2.44 -1.45 4.61 0.00 -0.63 -4.68 120.51 121.83 3kom n ALA 403 Ca -0.02 0.41 0.01 0.00 0.00 0.00 0.00 53.44 53.84 3kom n ALA 403 Cb 0.15 -2.47 0.01 0.00 0.00 0.00 0.00 19.45 17.15 3kom n ALA 403 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kom n ASN 404 N 3.66 0.37 -3.71 0.00 0.23 -0.50 -4.94 115.26 110.37 3kom n ASN 404 Ca 0.16 -1.79 -0.14 0.00 -0.53 0.00 0.00 54.58 52.27 3kom n ASN 404 Cb 0.33 -0.15 -0.08 0.00 -2.08 0.00 0.00 39.78 37.80 3kom n ASN 404 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3kom s TYR 405 N -0.36 -0.35 -0.04 -2.53 6.14 -0.98 -1.85 117.35 117.38 3kom s TYR 405 Ca 0.03 0.67 0.01 0.00 0.64 0.00 0.00 57.07 58.42 3kom s TYR 405 Cb 0.03 0.17 0.02 0.00 0.42 0.00 0.00 41.96 42.60 3kom s TYR 405 CO 0.00 -0.39 -0.04 -1.17 0.64 0.00 0.00 175.55 174.59 3kom s LEU 406 N -0.88 1.43 -0.26 6.97 2.96 -0.09 -0.52 118.68 128.29 3kom s LEU 406 Ca -0.09 -0.11 -0.27 0.00 -0.22 0.00 0.00 54.13 53.44 3kom s LEU 406 Cb -0.04 -0.40 0.00 0.00 0.50 0.00 0.00 46.19 46.26 3kom s LEU 406 CO 0.04 -0.04 0.93 -0.55 -1.32 0.00 0.00 176.35 175.42 3kom s SER 407 N 0.74 6.92 0.00 3.68 0.15 -1.26 -2.52 113.70 121.41 3kom s SER 407 Ca -0.10 1.11 0.27 0.00 0.70 0.00 0.00 55.95 57.94 3kom s SER 407 Cb -0.13 -2.48 0.93 0.00 -1.71 0.00 0.00 66.02 62.64 3kom s SER 407 CO -0.00 -0.63 1.68 -1.22 1.20 0.00 0.00 173.24 174.26 3kom n TYR 408 N 6.26 0.00 -4.36 3.44 4.02 -0.31 -4.93 117.16 121.28 3kom n TYR 408 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 3kom n TYR 408 Cb 0.47 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 3kom n TYR 408 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kom n GLY 409 N 1.28 -1.60 2.80 2.72 0.00 -1.26 -4.31 105.19 104.82 3kom n GLY 409 Ca 0.14 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 3kom n GLY 409 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kom n VAL 410 N -0.66 4.14 -3.14 1.61 0.31 -1.26 -2.49 118.33 116.83 3kom n VAL 410 Ca 0.00 -3.97 -0.20 0.00 -0.01 0.00 0.00 64.34 60.16 3kom n VAL 410 Cb 0.00 -2.42 -0.04 0.00 -0.91 0.00 0.00 33.84 30.47 3kom n VAL 410 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kom n ARG 411 N 4.37 0.81 -0.11 5.55 1.74 -1.26 -5.00 116.66 122.77 3kom n ARG 411 Ca 0.45 -3.10 -0.10 0.00 -0.77 0.00 0.00 57.85 54.32 3kom n ARG 411 Cb 0.36 -1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 3kom n ARG 411 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3kom h GLU 412 N 3.63 0.54 -0.20 5.56 3.07 -1.91 -3.12 114.58 122.15 3kom h GLU 412 Ca 0.06 -0.14 -0.06 0.00 -0.50 0.00 0.00 59.36 58.72 3kom h GLU 412 Cb 0.93 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 3kom h GLU 412 CO 0.45 0.62 -0.10 0.35 -1.40 0.00 0.00 179.01 178.93 3kom h PHE 413 N 0.38 0.49 0.00 4.33 3.57 -1.91 -1.93 116.94 121.86 3kom h PHE 413 Ca 0.10 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3kom h PHE 413 Cb 0.33 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3kom h PHE 413 CO 0.02 0.71 0.00 0.41 -2.23 0.00 0.00 178.31 177.22 3kom n GLY 414 N -0.02 0.21 0.22 2.40 0.00 -1.18 -1.10 105.19 105.72 3kom n GLY 414 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3kom n GLY 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kom n ALA 416 N 1.04 0.00 0.05 4.61 0.00 -0.73 -0.57 120.51 124.91 3kom n ALA 416 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3kom n ALA 416 Cb 0.04 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.62 3kom n ALA 416 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kom h ALA 417 N 0.00 0.88 0.00 0.00 0.00 -1.39 -2.06 119.26 116.69 3kom h ALA 417 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3kom h ALA 417 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kom h ALA 417 CO 0.00 0.67 0.00 -0.89 0.00 0.00 0.00 179.25 179.03 3kom n ILE 418 N -3.97 0.32 0.00 0.00 5.41 0.27 -2.44 119.36 118.95 3kom n ILE 418 Ca -0.02 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.70 3kom n ILE 418 Cb 0.56 -0.75 0.00 0.00 -0.71 0.00 0.00 39.64 38.74 3kom n ILE 418 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3kom n ASN 420 N 1.12 0.00 -0.18 4.38 3.02 -0.78 -0.90 115.26 121.92 3kom n ASN 420 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 3kom n ASN 420 Cb 0.13 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.31 3kom n ASN 420 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3kom h GLY 421 N 0.00 0.85 0.94 7.41 0.00 -1.67 -1.29 103.07 109.31 3kom h GLY 421 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 46.83 3kom h GLY 421 CO 0.00 0.48 0.50 1.41 0.00 0.00 0.00 176.54 178.93 3kom h LEU 422 N 0.69 0.84 -0.39 3.11 3.38 -1.11 -0.93 115.31 120.91 3kom h LEU 422 Ca 0.16 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3kom h LEU 422 Cb 0.29 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3kom h LEU 422 CO -0.00 0.59 0.12 -1.28 0.09 0.00 0.00 178.44 177.96 3kom h SER 423 N 0.99 0.57 -0.23 -0.43 0.87 -1.77 -2.78 113.55 110.77 3kom h SER 423 Ca 0.29 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 3kom h SER 423 Cb -0.05 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 3kom h SER 423 CO -0.09 0.62 0.02 -0.07 -0.53 0.00 0.00 176.83 176.79 3kom h LEU 424 N 0.48 0.47 -0.31 2.23 3.38 -1.05 -3.21 115.31 117.30 3kom h LEU 424 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kom h LEU 424 Cb 0.26 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3kom h LEU 424 CO -0.00 0.52 0.20 0.22 0.09 0.00 0.00 178.44 179.47 3kom h TYR 425 N 0.49 0.40 0.00 1.13 3.20 -0.88 -3.49 116.97 117.83 3kom h TYR 425 Ca 0.11 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3kom h TYR 425 Cb 0.28 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.42 3kom h TYR 425 CO 0.01 0.27 0.00 0.41 -1.64 0.00 0.00 178.16 177.21 3kom n GLY 426 N -1.13 3.10 2.67 1.82 0.00 -1.20 -5.01 105.19 105.44 3kom n GLY 426 Ca -0.01 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3kom n GLY 426 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kom n GLY 427 N -0.36 0.27 2.92 -0.02 0.00 -1.26 -4.98 105.19 101.77 3kom n GLY 427 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3kom n GLY 427 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kom s ILE 428 N -1.62 0.48 -0.55 -0.61 1.01 -1.26 -4.73 121.20 113.92 3kom s ILE 428 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.49 3kom s ILE 428 Cb 0.00 -0.46 0.14 0.00 0.01 0.00 0.00 42.46 42.15 3kom s ILE 428 CO 0.00 0.18 0.32 -0.54 0.00 0.00 0.00 174.94 174.90 3kom s LYS 429 N 0.43 2.21 0.38 2.79 1.02 0.20 -4.60 119.74 122.17 3kom s LYS 429 Ca -0.05 -2.47 -0.24 0.00 0.02 0.00 0.00 55.97 53.23 3kom s LYS 429 Cb -0.09 -3.52 -0.10 0.00 -0.52 0.00 0.00 37.83 33.60 3kom s LYS 429 CO -0.00 -1.12 0.96 -1.25 -0.92 0.00 0.00 175.35 173.02 3kom s PRO 430 N 0.00 4.36 0.03 -1.68 0.04 -1.26 -1.43 135.00 135.06 3kom s PRO 430 Ca 0.16 1.27 -0.00 0.00 0.04 0.00 0.00 61.00 62.46 3kom s PRO 430 Cb -0.23 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 3kom s PRO 430 CO -0.02 0.08 -0.03 1.52 0.04 0.00 0.00 177.00 178.58 3kom s TYR 431 N -1.86 0.36 -0.09 0.56 1.13 -0.73 -2.90 117.35 113.82 3kom s TYR 431 Ca 0.56 -0.74 -0.29 0.00 -1.41 0.00 0.00 57.07 55.20 3kom s TYR 431 Cb -0.15 -0.27 0.07 0.00 -1.10 0.00 0.00 41.96 40.51 3kom s TYR 431 CO 0.20 -0.27 0.66 0.20 -2.51 0.00 0.00 175.55 173.84 3kom s GLY 432 N -2.03 -0.55 -0.07 5.49 0.00 -0.79 -2.00 107.32 107.38 3kom s GLY 432 Ca -0.07 1.39 0.03 0.00 0.00 0.00 0.00 44.72 46.07 3kom s GLY 432 CO -0.04 1.05 -0.15 -0.32 0.00 0.00 0.00 173.10 173.64 3kom s GLY 433 N -0.91 1.51 0.34 0.20 0.00 -0.65 -0.73 107.32 107.08 3kom s GLY 433 Ca -0.09 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.66 3kom s GLY 433 CO 0.08 -0.64 0.42 -1.08 0.00 0.00 0.00 173.10 171.88 3kom s THR 434 N -0.46 0.00 0.37 0.90 -1.32 -0.70 -2.16 115.64 112.27 3kom s THR 434 Ca 0.06 -1.71 -0.27 0.00 -1.21 0.00 0.00 61.69 58.56 3kom s THR 434 Cb -0.12 -2.60 -0.09 0.00 -1.51 0.00 0.00 72.50 68.18 3kom s THR 434 CO 0.02 0.00 1.23 -0.36 -2.21 0.00 0.00 174.62 173.30 3kom s PHE 435 N -3.16 3.06 0.30 9.09 0.08 -1.26 -1.83 117.98 124.25 3kom s PHE 435 Ca 0.33 1.50 0.05 0.00 0.12 0.00 0.00 56.93 58.93 3kom s PHE 435 Cb 0.00 -3.53 0.73 0.00 -0.57 0.00 0.00 43.02 39.66 3kom s PHE 435 CO 0.22 -1.56 1.76 1.25 -0.10 0.00 0.00 175.22 176.79 3kom h LEU 436 N 2.99 0.67 -1.60 -0.37 5.85 -1.16 -0.88 115.31 120.82 3kom h LEU 436 Ca -0.49 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.42 3kom h LEU 436 Cb 1.23 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 3kom h LEU 436 CO 0.64 0.21 0.39 0.58 -0.34 0.00 0.00 178.44 179.92 3kom h VAL 437 N 0.67 0.94 0.00 1.05 2.07 -1.83 -1.27 116.25 117.88 3kom h VAL 437 Ca 0.57 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.93 3kom h VAL 437 Cb 0.93 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3kom h VAL 437 CO -0.41 0.09 0.00 0.49 0.02 0.00 0.00 177.57 177.75 3kom n PHE 438 N -4.47 0.00 0.34 1.57 3.72 -0.34 -1.63 117.46 116.65 3kom n PHE 438 Ca 0.09 0.00 0.23 0.00 -0.05 0.00 0.00 57.45 57.72 3kom n PHE 438 Cb 0.31 0.00 1.21 0.00 -0.94 0.00 0.00 39.48 40.06 3kom n PHE 438 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3kom h SER 439 N 0.00 0.00 -0.01 4.37 4.64 -1.27 -0.47 113.55 120.81 3kom h SER 439 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3kom h SER 439 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3kom h SER 439 CO 0.00 0.00 -0.17 0.44 -0.87 0.00 0.00 176.83 176.23 3kom h ASP 440 N 0.00 0.33 -0.29 4.97 3.32 -1.50 0.36 116.42 123.60 3kom h ASP 440 Ca -0.00 -0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.80 3kom h ASP 440 Cb 0.01 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3kom h ASP 440 CO 0.00 0.52 -0.47 1.88 -1.72 0.00 0.00 179.24 179.45 3kom h TYR 441 N 0.31 1.02 -0.61 4.55 -1.99 -1.31 -3.32 116.97 115.63 3kom h TYR 441 Ca 0.06 -0.35 0.00 0.00 2.00 0.00 0.00 58.73 60.44 3kom h TYR 441 Cb 0.49 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.02 3kom h TYR 441 CO 0.01 1.16 0.00 -1.13 -0.00 0.00 0.00 178.16 178.20 3kom n SER 442 N -4.09 3.79 -0.20 3.88 3.41 -1.13 -4.48 113.62 114.80 3kom n SER 442 Ca -0.04 -2.00 -0.02 0.00 -0.26 0.00 0.00 58.87 56.55 3kom n SER 442 Cb 0.58 -0.41 0.05 0.00 -0.26 0.00 0.00 64.21 64.18 3kom n SER 442 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3kom h ARG 443 N 4.34 -0.04 0.00 4.33 9.65 -1.03 -0.21 114.38 131.42 3kom h ARG 443 Ca 0.00 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 3kom h ARG 443 Cb 0.99 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.57 3kom h ARG 443 CO 0.00 -0.03 -0.35 -0.97 2.80 0.00 0.00 179.97 181.42 3kom h ASN 444 N -0.04 0.00 0.23 -3.80 -0.73 -1.86 -0.82 115.58 108.56 3kom h ASN 444 Ca 0.28 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.31 3kom h ASN 444 Cb 0.48 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.06 3kom h ASN 444 CO -0.64 0.35 -0.55 0.00 -0.37 0.00 0.00 177.43 176.22 3kom h ALA 445 N 1.65 0.85 -0.51 1.57 0.00 -1.42 -2.73 119.26 118.66 3kom h ALA 445 Ca -0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 3kom h ALA 445 Cb 0.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3kom h ALA 445 CO 0.05 0.69 0.20 0.82 0.00 0.00 0.00 179.25 181.01 3kom h ILE 446 N 0.26 1.21 0.00 0.00 2.04 -0.86 -0.69 117.51 119.48 3kom h ILE 446 Ca 0.00 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3kom h ILE 446 Cb 1.05 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3kom h ILE 446 CO 0.09 0.25 0.00 -1.14 0.00 0.00 0.00 178.15 177.35 3kom n ARG 447 N -4.54 0.06 0.00 2.37 0.63 -0.36 -2.38 116.66 112.44 3kom n ARG 447 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 3kom n ARG 447 Cb 0.16 -1.38 0.00 0.00 0.45 0.00 0.00 32.46 31.69 3kom n ARG 447 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3kom n SER 449 N 0.86 0.00 -0.09 6.15 3.41 -0.27 -0.90 113.62 122.79 3kom n SER 449 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 3kom n SER 449 Cb 0.03 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 3kom n SER 449 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kom h ALA 450 N 0.00 0.35 0.00 7.33 0.00 -1.72 -1.17 119.26 124.05 3kom h ALA 450 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kom h ALA 450 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kom h ALA 450 CO 0.00 0.14 0.00 -0.11 0.00 0.00 0.00 179.25 179.28 3kom n LEU 451 N -4.56 0.32 -1.77 0.00 7.94 -0.07 -4.66 117.00 114.20 3kom n LEU 451 Ca -0.04 -0.16 -0.01 0.00 -1.11 0.00 0.00 56.01 54.69 3kom n LEU 451 Cb 0.30 -0.07 0.04 0.00 0.53 0.00 0.00 43.42 44.22 3kom n LEU 451 CO 0.39 0.06 0.37 0.29 -1.11 0.00 0.00 177.39 177.39 3kom n LYS 453 N 0.75 0.50 -3.44 1.96 5.02 -0.83 -5.05 118.16 117.06 3kom n LYS 453 Ca 0.00 -0.53 -0.38 0.00 -2.02 0.00 0.00 58.31 55.38 3kom n LYS 453 Cb 0.06 0.26 -0.09 0.00 -0.02 0.00 0.00 35.03 35.24 3kom n LYS 453 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3kom s GLN 454 N 0.05 4.07 -0.79 1.97 -1.52 -0.50 -4.36 119.66 118.58 3kom s GLN 454 Ca 0.03 0.02 -0.07 0.00 -1.95 0.00 0.00 55.36 53.39 3kom s GLN 454 Cb 0.16 -3.60 -0.11 0.00 -0.22 0.00 0.00 33.01 29.24 3kom s GLN 454 CO -0.05 -0.14 3.12 -0.35 -0.25 0.00 0.00 175.29 177.62 3kom n PRO 455 N 4.88 2.98 -2.20 2.91 -0.04 -1.26 -3.22 135.00 139.05 3kom n PRO 455 Ca -0.10 -1.93 -0.39 0.00 -0.04 0.00 0.00 63.50 61.04 3kom n PRO 455 Cb 0.51 -2.37 -0.02 0.00 -0.04 0.00 0.00 33.50 31.58 3kom n PRO 455 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kom s VAL 456 N 0.62 2.92 -0.31 0.52 1.01 -1.26 -4.79 120.40 119.11 3kom s VAL 456 Ca 0.65 0.85 -0.09 0.00 0.00 0.00 0.00 61.98 63.39 3kom s VAL 456 Cb 0.26 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3kom s VAL 456 CO -0.07 0.14 0.14 -0.69 0.00 0.00 0.00 175.10 174.62 3kom s VAL 457 N -1.26 4.41 -0.50 2.92 1.01 -1.14 -1.73 120.40 124.11 3kom s VAL 457 Ca 0.53 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 3kom s VAL 457 Cb -0.35 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 32.80 3kom s VAL 457 CO 0.46 0.04 0.61 -1.00 0.00 0.00 0.00 175.10 175.21 3kom s HIS 458 N 1.57 3.06 0.60 5.22 3.76 0.18 -1.88 115.29 127.81 3kom s HIS 458 Ca 0.04 -0.54 -0.01 0.00 -0.15 0.00 0.00 55.06 54.39 3kom s HIS 458 Cb -0.17 -3.50 0.05 0.00 1.11 0.00 0.00 32.58 30.07 3kom s HIS 458 CO 0.05 -1.01 0.86 0.08 -0.85 0.00 0.00 174.74 173.87 3kom s VAL 459 N 2.56 2.52 0.16 -0.90 1.01 0.09 -4.27 120.40 121.58 3kom s VAL 459 Ca 0.15 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 3kom s VAL 459 Cb -0.19 -2.98 0.06 0.00 0.00 0.00 0.00 36.38 33.26 3kom s VAL 459 CO 0.12 0.00 0.76 -1.54 0.00 0.00 0.00 175.10 174.44 3kom n SER 461 N -2.54 -1.36 -3.66 3.32 3.41 -0.76 -1.72 113.62 110.30 3kom n SER 461 Ca 0.08 -1.75 -0.30 0.00 -0.26 0.00 0.00 58.87 56.64 3kom n SER 461 Cb 0.60 2.22 0.04 0.00 -0.26 0.00 0.00 64.21 66.81 3kom n SER 461 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kom n HIS 462 N -0.53 -1.94 1.38 7.33 8.25 -1.03 -0.79 115.22 127.89 3kom n HIS 462 Ca -0.02 0.49 0.14 0.00 -0.26 0.00 0.00 57.72 58.07 3kom n HIS 462 Cb 0.44 -3.50 0.69 0.00 1.12 0.00 0.00 29.99 28.74 3kom n HIS 462 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3kom n ASP 463 N -2.72 0.16 -2.65 0.41 5.75 -1.01 -4.35 116.55 112.14 3kom n ASP 463 Ca -0.10 -0.24 -0.07 0.00 -0.01 0.00 0.00 54.79 54.37 3kom n ASP 463 Cb 0.60 -0.21 0.03 0.00 -1.03 0.00 0.00 41.12 40.50 3kom n ASP 463 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3kom n SER 464 N -1.20 -2.00 0.23 -1.12 3.41 -1.26 -4.47 113.62 107.21 3kom n SER 464 Ca 0.14 -2.35 0.12 0.00 -0.26 0.00 0.00 58.87 56.52 3kom n SER 464 Cb 0.26 3.32 0.65 0.00 -0.26 0.00 0.00 64.21 68.18 3kom n SER 464 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3kom h ILE 465 N 1.88 0.00 0.00 -1.33 3.07 -1.90 -1.99 117.51 117.24 3kom h ILE 465 Ca -0.29 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.12 3kom h ILE 465 Cb 1.10 0.53 0.00 0.00 -0.27 0.00 0.00 36.82 38.18 3kom h ILE 465 CO 0.37 0.00 0.01 1.23 -1.05 0.00 0.00 178.15 178.71 3kom h GLY 466 N 0.00 0.00 2.00 0.16 0.00 -1.93 -1.47 103.07 101.82 3kom h GLY 466 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kom h GLY 466 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.54 176.71 3kom h LEU 467 N 0.00 0.00 0.00 3.11 8.10 -1.72 -3.42 115.31 121.38 3kom h LEU 467 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3kom h LEU 467 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.23 3kom h LEU 467 CO 0.00 0.00 0.00 0.61 -4.11 0.00 0.00 178.44 174.94 3kom n GLY 468 N 0.18 1.97 0.27 0.17 0.00 -0.56 -4.50 105.19 102.72 3kom n GLY 468 Ca 0.01 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.66 3kom n GLY 468 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kom h GLU 469 N 0.00 0.00 0.00 1.61 3.07 -1.81 -2.52 114.58 114.93 3kom h GLU 469 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kom h GLU 469 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3kom h GLU 469 CO 0.00 0.06 -0.01 -0.44 -1.40 0.00 0.00 179.01 177.21 3kom h ASP 470 N 0.00 0.00 -4.25 1.42 3.32 -1.88 -3.40 116.42 111.62 3kom h ASP 470 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kom h ASP 470 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3kom h ASP 470 CO 0.01 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 3kom n GLY 471 N -0.64 -2.17 0.24 2.75 0.00 -0.95 -4.51 105.19 99.91 3kom n GLY 471 Ca -0.02 -1.61 0.08 0.00 0.00 0.00 0.00 46.02 44.47 3kom n GLY 471 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kom h PRO 472 N 0.00 0.00 0.00 1.61 0.13 -1.77 -0.97 132.00 131.00 3kom h PRO 472 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3kom h PRO 472 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3kom h PRO 472 CO 0.00 0.18 0.00 1.79 -0.23 0.00 0.00 178.00 179.74 3kom h THR 473 N 0.00 0.00 0.00 1.56 1.35 -1.94 -3.18 112.91 110.70 3kom h THR 473 Ca -0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3kom h THR 473 Cb 0.38 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3kom h THR 473 CO 0.02 0.00 -0.74 1.41 -0.25 0.00 0.00 175.52 175.96 3kom n HIS 474 N -2.84 0.00 -3.30 4.73 8.25 -0.45 -4.97 115.22 116.63 3kom n HIS 474 Ca 0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.07 3kom n HIS 474 Cb 0.27 -0.06 -0.08 0.00 1.12 0.00 0.00 29.99 31.24 3kom n HIS 474 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3kom s GLN 475 N -2.18 3.88 0.49 -0.41 -0.21 -0.71 -4.56 119.66 115.96 3kom s GLN 475 Ca 0.02 0.02 -0.23 0.00 0.02 0.00 0.00 55.36 55.20 3kom s GLN 475 Cb 0.08 -3.71 -0.06 0.00 1.00 0.00 0.00 33.01 30.31 3kom s GLN 475 CO 0.43 -0.43 1.25 -2.14 -2.12 0.00 0.00 175.29 172.29 3kom s PRO 476 N 2.23 3.51 0.20 2.91 0.02 -1.26 -4.70 135.00 137.91 3kom s PRO 476 Ca 0.17 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.17 3kom s PRO 476 Cb -0.16 -2.36 0.00 0.00 0.02 0.00 0.00 34.50 32.01 3kom s PRO 476 CO 0.11 -0.81 0.00 -0.89 -0.33 0.00 0.00 177.00 175.07 3kom n ILE 477 N -0.69 0.48 1.03 2.83 2.08 -1.26 -4.30 119.36 119.53 3kom n ILE 477 Ca 0.08 0.16 0.13 0.00 0.56 0.00 0.00 62.75 63.68 3kom n ILE 477 Cb 0.47 -0.95 0.45 0.00 -0.75 0.00 0.00 39.64 38.85 3kom n ILE 477 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 3kom n GLU 478 N -3.44 0.05 -0.09 0.38 0.00 -1.26 -1.22 120.64 115.06 3kom n GLU 478 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 57.16 57.03 3kom n GLU 478 Cb 0.01 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 29.92 3kom n GLU 478 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3kom h HIS 479 N 0.05 0.48 0.65 -1.84 3.86 -1.95 -0.22 115.15 116.17 3kom h HIS 479 Ca 0.00 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 3kom h HIS 479 Cb 0.49 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.83 3kom h HIS 479 CO 0.00 0.55 -0.36 0.28 0.86 0.00 0.00 177.93 179.27 3kom h VAL 480 N 0.26 0.27 -0.19 2.45 2.07 -1.94 -1.14 116.25 118.03 3kom h VAL 480 Ca 0.08 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 3kom h VAL 480 Cb 0.33 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3kom h VAL 480 CO 0.01 0.00 -0.08 1.55 0.02 0.00 0.00 177.57 179.06 3kom h PRO 481 N -0.94 0.30 -0.12 1.57 0.13 -1.84 -1.26 132.00 129.84 3kom h PRO 481 Ca -0.08 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.94 3kom h PRO 481 Cb 0.74 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 3kom h PRO 481 CO 0.11 0.40 -0.10 0.66 -0.23 0.00 0.00 178.00 178.84 3kom h SER 482 N 0.29 0.17 0.69 1.44 4.64 -0.68 -2.20 113.55 117.89 3kom h SER 482 Ca 0.06 -0.03 -0.26 0.00 -0.47 0.00 0.00 61.79 61.09 3kom h SER 482 Cb 0.33 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 3kom h SER 482 CO 0.02 0.30 -1.31 -0.07 -0.87 0.00 0.00 176.83 174.89 3kom h LEU 483 N 0.17 0.19 -2.16 5.97 3.38 -0.72 -3.14 115.31 119.01 3kom h LEU 483 Ca 0.04 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.79 3kom h LEU 483 Cb 0.30 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kom h LEU 483 CO 0.02 1.20 0.07 0.03 0.09 0.00 0.00 178.44 179.84 3kom h ARG 484 N 0.03 0.00 0.00 1.13 3.08 -0.74 -1.99 114.38 115.89 3kom h ARG 484 Ca -0.14 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 3kom h ARG 484 Cb 1.92 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.96 3kom h ARG 484 CO 0.15 0.00 -0.14 -0.07 -1.07 0.00 0.00 179.97 178.83 3kom h LEU 485 N 0.00 0.00 -9.46 3.04 3.38 -1.36 -3.45 115.31 107.46 3kom h LEU 485 Ca 0.04 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.47 3kom h LEU 485 Cb 0.17 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.94 3kom h LEU 485 CO -0.00 0.14 0.91 -0.63 0.09 0.00 0.00 178.44 178.95 3kom s ILE 486 N -3.71 3.17 0.53 1.22 1.01 -0.75 -4.96 121.20 117.70 3kom s ILE 486 Ca 0.00 0.67 -0.22 0.00 0.00 0.00 0.00 60.65 61.10 3kom s ILE 486 Cb 0.10 -3.43 -0.06 0.00 0.01 0.00 0.00 42.46 39.08 3kom s ILE 486 CO 0.60 0.01 1.37 -2.65 0.00 0.00 0.00 174.94 174.27 3kom n PRO 487 N 5.15 1.79 -3.59 2.79 -0.02 -1.26 -3.43 135.00 136.44 3kom n PRO 487 Ca 0.14 0.65 -0.22 0.00 -2.02 0.00 0.00 63.50 62.06 3kom n PRO 487 Cb 0.41 -2.58 0.07 0.00 -0.02 0.00 0.00 33.50 31.39 3kom n PRO 487 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3kom n ASN 488 N -0.82 -4.10 -3.62 2.55 5.15 -1.26 -4.74 115.26 108.42 3kom n ASN 488 Ca 0.09 -0.63 -0.21 0.00 -0.60 0.00 0.00 54.58 53.24 3kom n ASN 488 Cb 0.44 -4.84 -0.16 0.00 -0.53 0.00 0.00 39.78 34.69 3kom n ASN 488 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3kom s LEU 489 N -6.90 0.11 -0.22 1.20 2.96 -1.22 -4.05 118.68 110.55 3kom s LEU 489 Ca 0.32 -0.11 -0.20 0.00 -0.22 0.00 0.00 54.13 53.92 3kom s LEU 489 Cb -0.15 0.02 -0.02 0.00 0.50 0.00 0.00 46.19 46.54 3kom s LEU 489 CO 0.75 -0.29 0.62 -0.44 -1.32 0.00 0.00 176.35 175.67 3kom s SER 490 N 2.22 6.63 -0.39 3.68 0.01 -0.71 -4.87 113.70 120.26 3kom s SER 490 Ca 0.04 0.77 -0.10 0.00 1.31 0.00 0.00 55.95 57.97 3kom s SER 490 Cb -0.14 -2.34 0.05 0.00 0.21 0.00 0.00 66.02 63.81 3kom s SER 490 CO -0.07 -0.31 0.22 -0.69 0.41 0.00 0.00 173.24 172.81 3kom s VAL 491 N 2.15 4.33 -0.15 3.43 1.01 -1.26 -0.94 120.40 128.96 3kom s VAL 491 Ca 0.27 -1.15 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 3kom s VAL 491 Cb -0.16 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 3kom s VAL 491 CO 0.09 -0.36 0.32 0.26 0.00 0.00 0.00 175.10 175.41 3kom s TRP 492 N 1.48 3.48 -0.53 5.22 0.52 0.04 -4.32 118.94 124.83 3kom s TRP 492 Ca 0.02 0.64 0.05 0.00 0.02 0.00 0.00 56.10 56.83 3kom s TRP 492 Cb -0.21 -2.36 0.20 0.00 -1.15 0.00 0.00 33.47 29.95 3kom s TRP 492 CO 0.04 0.25 0.49 -2.13 0.02 0.00 0.00 176.95 175.61 3kom n ARG 493 N 3.52 1.13 -2.29 4.98 0.63 0.05 -0.65 116.66 124.04 3kom n ARG 493 Ca -0.11 -3.80 -0.36 0.00 -0.92 0.00 0.00 57.85 52.66 3kom n ARG 493 Cb 0.52 -1.85 -0.00 0.00 0.45 0.00 0.00 32.46 31.58 3kom n ARG 493 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3kom s PRO 494 N -1.03 3.51 0.07 -0.14 0.04 -1.26 -1.91 135.00 134.28 3kom s PRO 494 Ca 0.32 1.64 0.16 0.00 0.04 0.00 0.00 61.00 63.16 3kom s PRO 494 Cb 0.06 -2.13 -0.13 0.00 0.04 0.00 0.00 34.50 32.34 3kom s PRO 494 CO -0.14 -0.72 0.85 0.00 0.04 0.00 0.00 177.00 177.02 3kom h ALA 495 N 1.48 0.66 -2.29 8.56 0.00 -1.90 -3.39 119.26 122.38 3kom h ALA 495 Ca -0.50 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 53.55 3kom h ALA 495 Cb 1.25 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 3kom h ALA 495 CO 0.58 0.93 0.04 -0.40 0.00 0.00 0.00 179.25 180.40 3kom n ASP 496 N -2.91 -0.41 -0.22 0.00 5.75 -1.26 -4.75 116.55 112.74 3kom n ASP 496 Ca -0.09 -1.31 -0.07 0.00 -0.01 0.00 0.00 54.79 53.30 3kom n ASP 496 Cb 0.84 0.69 0.03 0.00 -1.03 0.00 0.00 41.12 41.66 3kom n ASP 496 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 3kom h THR 497 N 1.19 1.24 -0.24 2.12 2.02 -1.92 -1.30 112.91 116.01 3kom h THR 497 Ca -0.06 -0.81 -0.13 0.00 0.77 0.00 0.00 66.41 66.18 3kom h THR 497 Cb 0.23 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3kom h THR 497 CO 0.08 0.31 -0.36 0.40 0.37 0.00 0.00 175.52 176.32 3kom h ILE 498 N 0.89 1.31 -0.55 3.11 2.04 -1.97 -2.82 117.51 119.52 3kom h ILE 498 Ca 0.20 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.50 3kom h ILE 498 Cb 0.27 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 3kom h ILE 498 CO -0.01 0.49 0.35 -0.33 0.00 0.00 0.00 178.15 178.65 3kom h GLU 499 N 0.39 0.74 -1.27 2.37 5.08 -1.93 -1.41 114.58 118.54 3kom h GLU 499 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3kom h GLU 499 Cb 0.95 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3kom h GLU 499 CO 0.08 0.50 0.00 2.41 -1.00 0.00 0.00 179.01 181.01 3kom n THR 500 N -4.44 0.30 0.00 1.13 -1.04 -0.50 -0.83 114.28 108.90 3kom n THR 500 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3kom n THR 500 Cb 0.06 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 3kom n THR 500 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3kom n ILE 502 N 0.66 0.00 -0.06 12.58 5.41 -0.53 -1.74 119.36 135.69 3kom n ILE 502 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 3kom n ILE 502 Cb 0.18 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.09 3kom n ILE 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kom h ALA 503 N 0.00 0.25 -0.68 -1.39 0.00 -1.24 -0.43 119.26 115.77 3kom h ALA 503 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kom h ALA 503 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3kom h ALA 503 CO 0.00 -0.37 0.31 -1.49 0.00 0.00 0.00 179.25 177.70 3kom h TRP 504 N 0.15 1.00 -0.16 0.00 4.06 -1.59 -0.65 115.95 118.76 3kom h TRP 504 Ca 0.11 -0.06 0.04 0.00 2.06 0.00 0.00 58.89 61.04 3kom h TRP 504 Cb 0.10 -0.31 -0.04 0.00 -1.00 0.00 0.00 29.16 27.91 3kom h TRP 504 CO -0.15 0.75 -0.11 -0.22 -3.56 0.00 0.00 178.44 175.16 3kom h LYS 505 N 0.95 -0.11 -0.76 0.49 3.64 -1.71 -0.97 116.57 118.10 3kom h LYS 505 Ca 0.23 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.57 3kom h LYS 505 Cb 0.15 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3kom h LYS 505 CO -0.03 -0.07 0.29 0.93 -2.27 0.00 0.00 179.45 178.30 3kom h GLU 506 N -0.12 1.13 -0.67 1.90 4.39 -0.81 -1.50 114.58 118.91 3kom h GLU 506 Ca 0.10 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 3kom h GLU 506 Cb 0.26 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 3kom h GLU 506 CO -0.23 0.92 0.26 0.00 -1.16 0.00 0.00 179.01 178.80 3kom h ALA 507 N 1.21 0.88 0.00 3.43 0.00 -0.82 -1.72 119.26 122.24 3kom h ALA 507 Ca 0.25 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3kom h ALA 507 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kom h ALA 507 CO -0.02 0.51 -0.39 -0.39 0.00 0.00 0.00 179.25 178.96 3kom h VAL 508 N 0.96 0.73 0.00 0.00 -1.51 -0.92 -3.08 116.25 112.42 3kom h VAL 508 Ca 0.22 -1.81 -0.05 0.00 -1.23 0.00 0.00 66.70 63.83 3kom h VAL 508 Cb 0.22 2.19 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 3kom h VAL 508 CO -0.02 0.38 -0.24 0.11 -1.23 0.00 0.00 177.57 176.57 3kom h LYS 509 N 0.00 0.00 -6.61 5.19 1.57 -1.07 -3.46 116.57 112.19 3kom h LYS 509 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.25 3kom h LYS 509 Cb 1.16 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.52 3kom h LYS 509 CO 0.05 0.24 0.94 0.45 -0.57 0.00 0.00 179.45 180.57 3kom s SER 510 N -6.24 6.51 -0.05 0.86 0.15 -0.67 -4.90 113.70 109.36 3kom s SER 510 Ca 0.03 2.70 0.10 0.00 0.70 0.00 0.00 55.95 59.49 3kom s SER 510 Cb 0.08 -2.59 -0.23 0.00 -1.71 0.00 0.00 66.02 61.56 3kom s SER 510 CO 0.67 -0.89 0.63 0.29 1.20 0.00 0.00 173.24 175.15 3kom n LYS 511 N 4.16 0.65 -0.11 5.44 4.76 -1.26 -4.65 118.16 127.15 3kom n LYS 511 Ca 0.15 0.30 0.01 0.00 -2.87 0.00 0.00 58.31 55.90 3kom n LYS 511 Cb 0.37 -1.79 0.01 0.00 -1.84 0.00 0.00 35.03 31.79 3kom n LYS 511 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3kom n ASP 512 N -3.10 0.71 -3.80 4.39 5.68 -1.26 -4.42 116.55 114.76 3kom n ASP 512 Ca -0.18 -1.65 -0.25 0.00 -0.50 0.00 0.00 54.79 52.21 3kom n ASP 512 Cb 1.05 -0.08 -0.17 0.00 -1.14 0.00 0.00 41.12 40.78 3kom n ASP 512 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3kom s THR 513 N -0.53 0.56 0.93 2.12 2.01 -1.26 -4.33 115.64 115.14 3kom s THR 513 Ca 0.03 -0.10 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 3kom s THR 513 Cb 0.03 -0.75 0.15 0.00 0.01 0.00 0.00 72.50 71.94 3kom s THR 513 CO 0.00 0.19 1.09 -2.16 -0.69 0.00 0.00 174.62 173.06 3kom s PRO 514 N 1.89 0.93 0.10 4.92 0.04 -1.20 -4.49 135.00 137.19 3kom s PRO 514 Ca 0.04 0.99 0.05 0.00 0.04 0.00 0.00 61.00 62.11 3kom s PRO 514 Cb -0.13 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 3kom s PRO 514 CO -0.06 -2.51 -0.12 -1.12 0.04 0.00 0.00 177.00 173.22 3kom s SER 515 N -3.13 1.66 0.00 6.66 0.01 -0.70 -1.73 113.70 116.46 3kom s SER 515 Ca 0.65 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 57.16 3kom s SER 515 Cb -0.20 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.00 3kom s SER 515 CO 0.58 -0.17 0.00 0.52 0.41 0.00 0.00 173.24 174.58 3kom n VAL 516 N 0.77 0.00 -3.27 3.43 0.31 -0.12 -0.65 118.33 118.81 3kom n VAL 516 Ca -0.17 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.19 3kom n VAL 516 Cb 0.56 -0.33 -0.04 0.00 -0.91 0.00 0.00 33.84 33.13 3kom n VAL 516 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3kom s VAL 518 N 1.04 -0.28 0.13 2.52 1.01 0.17 -0.78 120.40 124.23 3kom s VAL 518 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3kom s VAL 518 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3kom s VAL 518 CO 0.00 0.00 -0.18 -0.76 0.00 0.00 0.00 175.10 174.16 3kom s LEU 519 N 2.35 2.38 0.24 3.92 1.43 -1.26 -4.01 118.68 123.73 3kom s LEU 519 Ca -0.01 -0.79 -0.03 0.00 -1.03 0.00 0.00 54.13 52.26 3kom s LEU 519 Cb -0.04 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 45.38 3kom s LEU 519 CO -0.16 -0.04 0.48 0.42 0.23 0.00 0.00 176.35 177.27 3kom s THR 520 N -1.81 5.10 0.03 5.49 -4.23 -1.26 -2.41 115.64 116.55 3kom s THR 520 Ca 0.11 -0.09 -0.16 0.00 -1.18 0.00 0.00 61.69 60.36 3kom s THR 520 Cb -0.07 -3.72 -0.35 0.00 1.34 0.00 0.00 72.50 69.70 3kom s THR 520 CO 0.05 -0.22 1.00 -0.09 -0.54 0.00 0.00 174.62 174.81 3kom h ARG 521 N 1.93 0.54 -6.38 3.99 2.43 -1.93 -3.19 114.38 111.77 3kom h ARG 521 Ca -0.48 -0.91 -0.54 0.00 -0.81 0.00 0.00 59.98 57.25 3kom h ARG 521 Cb 1.19 0.34 -0.02 0.00 -0.42 0.00 0.00 29.97 31.05 3kom h ARG 521 CO 0.67 1.43 -0.18 1.14 -1.51 0.00 0.00 179.97 181.53 3kom s GLN 522 N -2.61 3.69 0.52 0.20 0.00 -1.26 -4.80 119.66 115.39 3kom s GLN 522 Ca -0.09 0.07 -0.21 0.00 -0.00 0.00 0.00 55.36 55.12 3kom s GLN 522 Cb 0.04 -2.70 -0.06 0.00 0.00 0.00 0.00 33.01 30.29 3kom s GLN 522 CO 0.94 0.32 1.19 -0.80 0.00 0.00 0.00 175.29 176.95 3kom s ASN 523 N -2.69 5.74 0.00 12.60 0.02 -1.26 -4.32 114.94 125.02 3kom s ASN 523 Ca 0.44 2.36 0.00 0.00 -1.02 0.00 0.00 52.86 54.65 3kom s ASN 523 Cb -0.11 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 38.56 3kom s ASN 523 CO 0.25 -1.22 0.00 0.18 0.02 0.00 0.00 177.10 176.33 3kom n LEU 524 N -0.97 0.00 -4.70 0.60 4.77 -0.50 -4.85 117.00 111.35 3kom n LEU 524 Ca 0.10 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.73 3kom n LEU 524 Cb 0.49 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 3kom n LEU 524 CO 0.46 0.00 -0.29 -2.84 -1.33 0.00 0.00 177.39 173.40 3kom s PRO 526 N 3.38 3.15 -0.04 3.23 0.02 -1.26 -2.90 135.00 140.58 3kom s PRO 526 Ca 0.00 -0.37 0.05 0.00 0.02 0.00 0.00 61.00 60.70 3kom s PRO 526 Cb 0.00 -2.89 -0.07 0.00 0.02 0.00 0.00 34.50 31.56 3kom s PRO 526 CO 0.00 0.66 0.05 1.33 -0.33 0.00 0.00 177.00 178.72 3kom n VAL 527 N 2.28 0.25 -2.55 3.83 0.24 -1.26 -5.00 118.33 116.11 3kom n VAL 527 Ca -0.19 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.34 61.50 3kom n VAL 527 Cb 0.54 -0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 32.43 3kom n VAL 527 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3kom s VAL 528 N -2.22 4.44 -0.05 3.34 1.01 -1.26 -4.93 120.40 120.73 3kom s VAL 528 Ca -0.02 1.75 0.04 0.00 0.00 0.00 0.00 61.98 63.75 3kom s VAL 528 Cb 0.02 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 3kom s VAL 528 CO 0.23 0.08 0.01 0.00 0.00 0.00 0.00 175.10 175.42 3kom n GLN 529 N 4.44 3.01 -4.14 2.72 1.13 -1.26 -4.97 117.38 118.31 3kom n GLN 529 Ca 0.09 -0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.03 3kom n GLN 529 Cb 0.48 -1.13 -0.10 0.00 0.11 0.00 0.00 30.24 29.59 3kom n GLN 529 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3kom s THR 530 N -2.13 0.67 0.41 5.09 -4.23 -1.26 -5.04 115.64 109.16 3kom s THR 530 Ca -0.03 -1.69 0.17 0.00 -1.18 0.00 0.00 61.69 58.96 3kom s THR 530 Cb 0.02 -1.37 0.18 0.00 1.34 0.00 0.00 72.50 72.66 3kom s THR 530 CO 0.21 -0.72 1.95 1.56 -0.54 0.00 0.00 174.62 177.08 3kom h GLN 531 N 3.41 0.00 -0.90 3.99 1.08 -1.99 -1.86 115.11 118.84 3kom h GLN 531 Ca -0.36 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.83 3kom h GLN 531 Cb 1.18 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.56 3kom h GLN 531 CO 0.57 0.23 0.52 1.12 -0.95 0.00 0.00 178.83 180.32 3kom h HIS 532 N 0.00 1.20 -0.41 2.96 2.07 -1.99 -1.61 115.15 117.37 3kom h HIS 532 Ca -0.00 -0.02 -0.07 0.00 -2.85 0.00 0.00 60.37 57.44 3kom h HIS 532 Cb 0.44 -0.39 -0.01 0.00 2.57 0.00 0.00 27.41 30.01 3kom h HIS 532 CO 0.00 0.82 0.00 1.96 -3.07 0.00 0.00 177.93 177.64 3kom h GLN 533 N 1.24 0.73 -0.69 5.12 4.20 -1.75 -3.11 115.11 120.85 3kom h GLN 533 Ca 0.32 -0.23 0.09 0.00 0.06 0.00 0.00 58.65 58.89 3kom h GLN 533 Cb -0.01 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.63 3kom h GLN 533 CO -0.06 0.81 0.34 0.28 -0.67 0.00 0.00 178.83 179.53 3kom h VAL 534 N 0.56 0.86 0.00 -0.54 2.07 -0.83 0.61 116.25 118.98 3kom h VAL 534 Ca 0.12 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3kom h VAL 534 Cb 0.48 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3kom h VAL 534 CO 0.02 0.11 -0.00 0.00 0.02 0.00 0.00 177.57 177.71 3kom h ALA 535 N 1.41 1.10 0.00 1.67 0.00 -1.24 -2.69 119.26 119.51 3kom h ALA 535 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3kom h ALA 535 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kom h ALA 535 CO -0.26 0.01 -0.94 0.09 0.00 0.00 0.00 179.25 178.15 3kom n ASN 536 N -3.23 0.86 -0.27 0.00 5.03 0.16 -4.55 115.26 113.25 3kom n ASN 536 Ca -0.03 -0.87 0.03 0.00 0.87 0.00 0.00 54.58 54.58 3kom n ASN 536 Cb 0.09 1.06 0.25 0.00 -1.02 0.00 0.00 39.78 40.16 3kom n ASN 536 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 3kom h ILE 537 N 0.00 1.10 0.00 2.41 2.04 -1.08 -1.01 117.51 120.96 3kom h ILE 537 Ca 0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3kom h ILE 537 Cb 0.46 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3kom h ILE 537 CO 0.00 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.33 3kom n ALA 538 N -2.41 1.71 1.73 1.87 0.00 -1.26 -1.08 120.51 121.06 3kom n ALA 538 Ca 0.12 -0.06 0.15 0.00 0.00 0.00 0.00 53.44 53.65 3kom n ALA 538 Cb 0.15 -1.22 0.75 0.00 0.00 0.00 0.00 19.45 19.14 3kom n ALA 538 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kom n ARG 539 N -1.38 1.14 0.00 0.00 1.74 -0.38 -4.93 116.66 112.85 3kom n ARG 539 Ca 0.05 -0.35 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 3kom n ARG 539 Cb 0.13 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3kom n ARG 539 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kom n GLY 540 N 1.11 3.21 3.49 -0.13 0.00 -0.24 -2.85 105.19 109.78 3kom n GLY 540 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 3kom n GLY 540 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kom s GLY 541 N -2.02 -0.45 0.20 -0.02 0.00 -1.26 -1.32 107.32 102.45 3kom s GLY 541 Ca 0.00 1.56 -0.23 0.00 0.00 0.00 0.00 44.72 46.05 3kom s GLY 541 CO 0.00 1.31 0.79 -2.52 0.00 0.00 0.00 173.10 172.68 3kom s TYR 542 N -0.00 -0.24 -0.33 1.90 1.13 -0.25 -4.82 117.35 114.74 3kom s TYR 542 Ca -0.02 -0.10 -0.20 0.00 -1.41 0.00 0.00 57.07 55.33 3kom s TYR 542 Cb -0.04 0.65 -0.00 0.00 -1.10 0.00 0.00 41.96 41.47 3kom s TYR 542 CO 0.02 -0.99 0.63 -0.51 -2.51 0.00 0.00 175.55 172.20 3kom s LEU 543 N -2.86 4.19 0.08 -3.49 1.43 -1.26 -1.13 118.68 115.63 3kom s LEU 543 Ca 0.09 0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 53.34 3kom s LEU 543 Cb -0.03 -2.80 -0.16 0.00 0.03 0.00 0.00 46.19 43.23 3kom s LEU 543 CO 0.01 -0.53 1.29 0.58 0.23 0.00 0.00 176.35 177.93 3kom h VAL 544 N 5.60 1.32 -3.31 -1.59 2.07 -1.19 -3.43 116.25 115.72 3kom h VAL 544 Ca -0.27 -1.84 -0.59 0.00 0.82 0.00 0.00 66.70 64.83 3kom h VAL 544 Cb 1.11 2.02 -0.34 0.00 -1.52 0.00 0.00 31.29 32.56 3kom h VAL 544 CO 0.82 0.57 -0.84 -0.54 0.02 0.00 0.00 177.57 177.60 3kom s LYS 545 N -3.80 2.27 -0.25 1.57 1.02 -0.92 -4.94 119.74 114.69 3kom s LYS 545 Ca -0.12 -0.59 -0.01 0.00 0.02 0.00 0.00 55.97 55.27 3kom s LYS 545 Cb 0.07 -1.87 0.08 0.00 -0.52 0.00 0.00 37.83 35.59 3kom s LYS 545 CO 0.86 -0.00 0.05 0.34 -0.92 0.00 0.00 175.35 175.68 3kom s ASP 546 N 0.80 3.55 -0.11 2.83 2.15 -1.26 -1.80 116.67 122.82 3kom s ASP 546 Ca -0.10 -1.23 0.03 0.00 0.43 0.00 0.00 52.55 51.68 3kom s ASP 546 Cb -0.16 -0.81 0.00 0.00 -0.30 0.00 0.00 42.92 41.66 3kom s ASP 546 CO 0.01 -0.34 -0.23 0.20 -0.17 0.00 0.00 175.17 174.64 3kom s ASN 547 N 1.68 3.06 0.55 -0.34 0.01 -1.26 -5.02 114.94 113.62 3kom s ASN 547 Ca 0.03 -0.57 0.22 0.00 -0.71 0.00 0.00 52.86 51.83 3kom s ASN 547 Cb -0.17 -1.41 1.51 0.00 0.41 0.00 0.00 41.25 41.59 3kom s ASN 547 CO -0.15 0.13 2.18 -0.65 -1.51 0.00 0.00 177.10 177.10 3kom h PRO 548 N 6.92 0.00 -0.60 -0.60 0.11 -2.00 -1.61 132.00 134.22 3kom h PRO 548 Ca -0.24 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.79 3kom h PRO 548 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 3kom h PRO 548 CO 0.50 0.00 0.09 -0.25 -0.21 0.00 0.00 178.00 178.13 3kom n ASP 549 N -4.23 5.19 -4.75 -2.05 10.43 -1.26 -5.01 116.55 114.87 3kom n ASP 549 Ca -0.02 -3.07 -0.42 0.00 2.57 0.00 0.00 54.79 53.86 3kom n ASP 549 Cb 0.12 -0.69 -0.01 0.00 1.84 0.00 0.00 41.12 42.38 3kom n ASP 549 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3kom n ALA 550 N 0.19 2.32 0.08 2.24 0.00 -0.61 -4.58 120.51 120.15 3kom n ALA 550 Ca 0.32 0.36 0.11 0.00 0.00 0.00 0.00 53.44 54.23 3kom n ALA 550 Cb 1.24 -2.42 -0.16 0.00 0.00 0.00 0.00 19.45 18.11 3kom n ALA 550 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kom n LYS 551 N 1.29 0.60 -3.49 0.00 4.76 -0.41 -4.96 118.16 115.95 3kom n LYS 551 Ca 0.05 -0.17 -0.11 0.00 -2.87 0.00 0.00 58.31 55.22 3kom n LYS 551 Cb 0.37 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 32.00 3kom n LYS 551 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kom s LEU 552 N -4.44 -0.46 -0.13 -0.35 0.20 -1.26 -4.26 118.68 107.99 3kom s LEU 552 Ca -0.06 0.14 0.00 0.00 0.69 0.00 0.00 54.13 54.90 3kom s LEU 552 Cb 0.14 2.23 -0.02 0.00 -0.43 0.00 0.00 46.19 48.12 3kom s LEU 552 CO 0.90 -0.68 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.26 3kom s THR 553 N -2.79 3.04 -0.22 3.68 2.01 -0.16 -1.33 115.64 119.86 3kom s THR 553 Ca 0.01 -0.67 -0.16 0.00 0.31 0.00 0.00 61.69 61.18 3kom s THR 553 Cb -0.01 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 3kom s THR 553 CO -0.06 0.53 0.40 -0.63 -0.69 0.00 0.00 174.62 174.16 3kom s ILE 554 N 0.29 5.19 -0.19 1.82 1.01 -0.16 -1.11 121.20 128.05 3kom s ILE 554 Ca -0.10 0.68 -0.04 0.00 0.00 0.00 0.00 60.65 61.19 3kom s ILE 554 Cb -0.16 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 3kom s ILE 554 CO 0.06 0.22 -0.03 -0.69 0.00 0.00 0.00 174.94 174.49 3kom s VAL 555 N 1.57 3.74 0.15 2.92 1.01 -0.27 -0.90 120.40 128.63 3kom s VAL 555 Ca 0.18 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 3kom s VAL 555 Cb -0.15 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 3kom s VAL 555 CO 0.08 0.45 0.25 0.00 0.00 0.00 0.00 175.10 175.89 3kom s ALA 556 N 0.85 0.04 0.16 5.51 0.00 -0.54 -0.49 121.76 127.29 3kom s ALA 556 Ca -0.00 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.10 3kom s ALA 556 Cb -0.14 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.73 3kom s ALA 556 CO 0.02 -0.61 -0.06 0.95 0.00 0.00 0.00 175.76 176.06 3kom s THR 557 N -3.96 0.95 0.00 0.00 -4.23 -1.25 -1.13 115.64 106.03 3kom s THR 557 Ca 0.16 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 3kom s THR 557 Cb 0.04 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.92 3kom s THR 557 CO -0.02 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 3kom n GLY 558 N -0.21 2.82 0.10 3.99 0.00 -0.80 -1.09 105.19 110.00 3kom n GLY 558 Ca -0.09 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.88 3kom n GLY 558 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kom n SER 559 N 2.01 0.38 0.01 1.61 3.41 -1.26 -2.08 113.62 117.70 3kom n SER 559 Ca 0.00 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 3kom n SER 559 Cb 0.00 -0.72 0.36 0.00 -0.26 0.00 0.00 64.21 63.59 3kom n SER 559 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kom n GLU 560 N -2.00 0.06 -0.16 4.33 4.71 -0.25 -3.84 120.64 123.49 3kom n GLU 560 Ca -0.00 0.02 -0.11 0.00 -0.01 0.00 0.00 57.16 57.06 3kom n GLU 560 Cb 0.05 -1.54 -0.00 0.00 -1.01 0.00 0.00 31.44 28.93 3kom n GLU 560 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3kom h VAL 561 N 0.00 1.27 -0.20 2.62 2.07 -1.48 -1.31 116.25 119.22 3kom h VAL 561 Ca 0.00 -1.32 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 3kom h VAL 561 Cb 0.55 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3kom h VAL 561 CO 0.00 0.46 -0.14 1.05 0.02 0.00 0.00 177.57 178.96 3kom h GLU 562 N 0.83 0.33 -0.40 1.57 4.11 -1.77 0.14 114.58 119.38 3kom h GLU 562 Ca 0.12 -0.08 -0.03 0.00 0.07 0.00 0.00 59.36 59.43 3kom h GLU 562 Cb 0.74 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3kom h GLU 562 CO 0.06 0.47 0.12 1.25 0.07 0.00 0.00 179.01 180.98 3kom h LEU 563 N 0.31 0.59 -0.78 3.06 5.85 -1.63 -0.94 115.31 121.76 3kom h LEU 563 Ca 0.06 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.58 3kom h LEU 563 Cb 0.44 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3kom h LEU 563 CO 0.03 0.64 0.51 0.00 -0.34 0.00 0.00 178.44 179.28 3kom h ALA 564 N 0.97 0.99 -0.41 1.25 0.00 -0.58 -1.20 119.26 120.28 3kom h ALA 564 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3kom h ALA 564 Cb 0.27 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3kom h ALA 564 CO -0.00 0.38 0.10 0.28 0.00 0.00 0.00 179.25 180.01 3kom h VAL 565 N 1.04 1.23 -0.94 0.00 2.07 -0.74 -0.30 116.25 118.61 3kom h VAL 565 Ca 0.29 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 67.02 3kom h VAL 565 Cb -0.10 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 3kom h VAL 565 CO -0.07 0.28 0.62 0.11 0.02 0.00 0.00 177.57 178.53 3kom h LYS 566 N 0.53 1.20 -0.30 1.57 1.57 -0.82 -0.08 116.57 120.25 3kom h LYS 566 Ca 0.13 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 3kom h LYS 566 Cb 0.32 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3kom h LYS 566 CO 0.00 0.80 -0.11 0.28 -0.57 0.00 0.00 179.45 179.84 3kom h VAL 567 N 1.24 1.29 -0.94 0.50 2.07 -0.95 -2.26 116.25 117.19 3kom h VAL 567 Ca 0.35 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.70 3kom h VAL 567 Cb -0.10 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 3kom h VAL 567 CO -0.09 0.38 0.62 0.00 0.02 0.00 0.00 177.57 178.50 3kom h ALA 568 N 0.77 1.21 -0.23 1.67 0.00 -0.59 -1.63 119.26 120.46 3kom h ALA 568 Ca 0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3kom h ALA 568 Cb 0.62 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3kom h ALA 568 CO 0.04 0.57 -0.06 -0.91 0.00 0.00 0.00 179.25 178.88 3kom h ASN 569 N 1.26 0.34 -0.36 0.00 -0.26 -0.82 -0.91 115.58 114.82 3kom h ASN 569 Ca 0.35 -0.06 -0.12 0.00 -0.56 0.00 0.00 56.30 55.91 3kom h ASN 569 Cb -0.11 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.06 3kom h ASN 569 CO -0.09 0.44 -0.25 -0.33 -1.06 0.00 0.00 177.43 176.14 3kom h GLU 570 N 0.35 0.81 -0.30 0.81 4.39 -0.79 -2.96 114.58 116.88 3kom h GLU 570 Ca 0.07 -0.39 -0.07 0.00 0.34 0.00 0.00 59.36 59.31 3kom h GLU 570 Cb 0.33 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3kom h GLU 570 CO 0.01 1.02 -0.11 0.74 -1.16 0.00 0.00 179.01 179.51 3kom h PHE 571 N 0.60 0.55 -0.16 4.33 0.04 -0.95 -2.66 116.94 118.69 3kom h PHE 571 Ca 0.07 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3kom h PHE 571 Cb 0.82 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 3kom h PHE 571 CO 0.06 0.61 0.00 0.93 -0.60 0.00 0.00 178.31 179.32 3kom h GLU 572 N 0.47 0.23 0.00 1.51 5.08 -0.89 -0.54 114.58 120.44 3kom h GLU 572 Ca 0.09 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3kom h GLU 572 Cb 0.49 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3kom h GLU 572 CO 0.03 0.25 -0.12 0.87 -1.00 0.00 0.00 179.01 179.04 3kom h LYS 573 N 0.23 0.00 -0.67 2.33 1.57 -1.31 -1.66 116.57 117.07 3kom h LYS 573 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3kom h LYS 573 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3kom h LYS 573 CO 0.00 0.12 0.00 1.63 -0.57 0.00 0.00 179.45 180.63 3kom n LYS 574 N -3.75 3.58 -0.99 3.15 4.76 -0.28 -4.93 118.16 119.70 3kom n LYS 574 Ca -0.02 -2.78 0.00 0.00 -2.87 0.00 0.00 58.31 52.64 3kom n LYS 574 Cb 0.23 -1.86 0.00 0.00 -1.84 0.00 0.00 35.03 31.56 3kom n LYS 574 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kom n GLY 575 N 1.18 0.39 3.18 0.72 0.00 -0.62 -5.03 105.19 105.01 3kom n GLY 575 Ca 0.25 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 3kom n GLY 575 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kom s ILE 576 N -2.00 2.54 -0.01 -0.61 1.01 -0.78 -5.01 121.20 116.35 3kom s ILE 576 Ca 0.00 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 3kom s ILE 576 Cb 0.00 -2.15 -0.06 0.00 0.01 0.00 0.00 42.46 40.26 3kom s ILE 576 CO 0.00 0.43 0.42 -0.54 0.00 0.00 0.00 174.94 175.25 3kom s LYS 577 N 1.34 3.97 0.17 2.79 -0.14 -1.26 -2.56 119.74 124.04 3kom s LYS 577 Ca 0.04 0.43 0.11 0.00 -1.36 0.00 0.00 55.97 55.18 3kom s LYS 577 Cb -0.14 -3.24 -0.04 0.00 -1.68 0.00 0.00 37.83 32.73 3kom s LYS 577 CO -0.09 0.64 -0.23 -0.51 -0.76 0.00 0.00 175.35 174.40 3kom s LEU 578 N -0.93 2.46 0.29 3.17 1.43 -1.26 -1.29 118.68 122.54 3kom s LEU 578 Ca 0.24 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 3kom s LEU 578 Cb -0.17 -1.25 -0.08 0.00 0.03 0.00 0.00 46.19 44.72 3kom s LEU 578 CO 0.13 0.14 0.65 0.20 0.23 0.00 0.00 176.35 177.70 3kom s ASN 579 N -2.46 6.66 -0.11 2.29 -0.87 -0.44 -4.60 114.94 115.41 3kom s ASN 579 Ca 0.19 1.07 0.00 0.00 -1.57 0.00 0.00 52.86 52.55 3kom s ASN 579 Cb -0.09 -2.29 0.02 0.00 -0.02 0.00 0.00 41.25 38.88 3kom s ASN 579 CO 0.09 -0.17 -0.09 -0.69 -2.57 0.00 0.00 177.10 173.67 3kom s VAL 580 N -1.96 1.11 -0.15 1.60 1.01 -0.74 -0.99 120.40 120.28 3kom s VAL 580 Ca 0.50 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 3kom s VAL 580 Cb -0.11 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3kom s VAL 580 CO 0.21 0.38 -0.02 0.00 0.00 0.00 0.00 175.10 175.67 3kom s ALA 581 N 1.52 3.09 -0.19 5.51 0.00 -0.07 -0.57 121.76 131.05 3kom s ALA 581 Ca 0.02 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 3kom s ALA 581 Cb -0.13 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 3kom s ALA 581 CO -0.07 0.26 0.09 0.45 0.00 0.00 0.00 175.76 176.50 3kom s SER 582 N 0.20 5.91 -0.70 0.00 0.15 -0.29 -1.47 113.70 117.51 3kom s SER 582 Ca -0.01 0.16 0.05 0.00 0.70 0.00 0.00 55.95 56.85 3kom s SER 582 Cb -0.14 -2.02 0.20 0.00 -1.71 0.00 0.00 66.02 62.35 3kom s SER 582 CO 0.02 0.19 0.59 -0.38 1.20 0.00 0.00 173.24 174.86 3kom n ILE 583 N 3.45 1.95 0.26 6.45 2.08 -0.28 -1.09 119.36 132.19 3kom n ILE 583 Ca -0.16 -5.00 0.13 0.00 0.56 0.00 0.00 62.75 58.28 3kom n ILE 583 Cb 0.52 -2.17 0.73 0.00 -0.75 0.00 0.00 39.64 37.97 3kom n ILE 583 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 3kom h PRO 584 N 5.05 0.00 -2.36 0.38 0.13 -1.56 -3.38 132.00 130.25 3kom h PRO 584 Ca 0.17 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.96 3kom h PRO 584 Cb 0.73 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.51 3kom h PRO 584 CO 0.77 0.12 -0.64 0.00 -0.23 0.00 0.00 178.00 178.01 3kom h VAL 586 N 6.29 1.16 -0.39 0.00 2.07 -1.75 -0.33 116.25 123.30 3kom h VAL 586 Ca -0.16 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 66.94 3kom h VAL 586 Cb 1.11 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3kom h VAL 586 CO 0.32 0.17 -0.18 -0.33 0.02 0.00 0.00 177.57 177.57 3kom h GLU 587 N 0.92 0.75 0.04 1.57 3.07 -1.91 -0.12 114.58 118.89 3kom h GLU 587 Ca 0.26 -0.28 -0.27 0.00 -0.50 0.00 0.00 59.36 58.57 3kom h GLU 587 Cb -0.07 -0.05 0.02 0.00 -0.84 0.00 0.00 28.75 27.81 3kom h GLU 587 CO -0.06 0.87 -1.11 0.28 -1.40 0.00 0.00 179.01 177.60 3kom h VAL 588 N 0.66 1.29 -0.77 3.13 2.07 -1.81 -3.27 116.25 117.55 3kom h VAL 588 Ca 0.10 -2.35 0.04 0.00 0.82 0.00 0.00 66.70 65.31 3kom h VAL 588 Cb 0.67 2.49 -0.05 0.00 -1.52 0.00 0.00 31.29 32.88 3kom h VAL 588 CO 0.05 0.72 0.49 0.15 0.02 0.00 0.00 177.57 178.99 3kom h PHE 589 N 0.34 0.91 -0.12 1.57 3.57 -0.76 -2.26 116.94 120.19 3kom h PHE 589 Ca -0.15 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.42 3kom h PHE 589 Cb 1.77 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 40.20 3kom h PHE 589 CO 0.10 0.50 0.09 0.00 -2.23 0.00 0.00 178.31 176.78 3kom h ALA 590 N 1.34 2.06 0.00 2.41 0.00 -1.07 -1.65 119.26 122.35 3kom h ALA 590 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3kom h ALA 590 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kom h ALA 590 CO -0.13 -0.16 0.00 0.25 0.00 0.00 0.00 179.25 179.22 3kom n THR 591 N -4.42 0.00 -1.20 0.00 -2.24 -0.85 -4.91 114.28 100.66 3kom n THR 591 Ca -0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 3kom n THR 591 Cb 0.21 -0.50 0.12 0.00 -2.10 0.00 0.00 70.33 68.06 3kom n THR 591 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3kom s GLN 592 N -2.91 1.69 0.39 -0.78 -1.52 -0.62 -4.96 119.66 110.95 3kom s GLN 592 Ca 0.17 1.01 -0.26 0.00 -1.95 0.00 0.00 55.36 54.33 3kom s GLN 592 Cb 0.19 -1.84 -0.11 0.00 -0.22 0.00 0.00 33.01 31.03 3kom s GLN 592 CO 0.52 -1.99 1.24 0.00 -0.25 0.00 0.00 175.29 174.80 3kom n ALA 593 N -3.74 1.11 -0.28 6.09 0.00 -1.26 -4.81 120.51 117.61 3kom n ALA 593 Ca 0.08 0.30 0.06 0.00 0.00 0.00 0.00 53.44 53.88 3kom n ALA 593 Cb 0.54 -2.23 0.17 0.00 0.00 0.00 0.00 19.45 17.93 3kom n ALA 593 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kom h HIS 594 N 2.18 -0.13 -0.85 0.00 2.76 -1.95 -0.70 115.15 116.46 3kom h HIS 594 Ca -0.46 0.06 0.05 0.00 -2.20 0.00 0.00 60.37 57.82 3kom h HIS 594 Cb 1.30 0.19 -0.06 0.00 1.55 0.00 0.00 27.41 30.39 3kom h HIS 594 CO 0.48 -0.30 0.54 1.49 -1.30 0.00 0.00 177.93 178.84 3kom h GLU 595 N 0.07 0.98 -0.18 5.26 4.57 -1.97 -1.55 114.58 121.75 3kom h GLU 595 Ca 0.44 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.50 3kom h GLU 595 Cb 0.79 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3kom h GLU 595 CO -0.75 0.65 -0.16 -0.92 -1.18 0.00 0.00 179.01 176.64 3kom h TYR 596 N 1.01 0.52 -0.69 0.92 3.20 -1.52 -2.35 116.97 118.05 3kom h TYR 596 Ca 0.36 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 3kom h TYR 596 Cb 0.10 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 3kom h TYR 596 CO -0.03 0.79 0.39 0.87 -1.64 0.00 0.00 178.16 178.54 3kom h LYS 597 N 0.10 0.95 -0.06 1.82 1.57 -0.99 -0.69 116.57 119.27 3kom h LYS 597 Ca 0.03 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3kom h LYS 597 Cb 0.69 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3kom h LYS 597 CO 0.04 0.69 0.00 1.63 -0.57 0.00 0.00 179.45 181.24 3kom n LYS 598 N -4.37 1.45 -0.10 3.15 4.76 -0.61 -2.01 118.16 120.43 3kom n LYS 598 Ca 0.07 -0.67 -0.23 0.00 -2.87 0.00 0.00 58.31 54.61 3kom n LYS 598 Cb 0.09 -1.41 -0.12 0.00 -1.84 0.00 0.00 35.03 31.75 3kom n LYS 598 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3kom n THR 599 N -0.15 1.58 -0.19 -0.18 -1.04 -0.64 -3.24 114.28 110.43 3kom n THR 599 Ca 0.18 -0.38 -0.09 0.00 -2.04 0.00 0.00 64.05 61.72 3kom n THR 599 Cb 0.25 -1.80 0.01 0.00 -1.82 0.00 0.00 70.33 66.97 3kom n THR 599 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3kom h VAL 600 N -0.57 1.26 -3.48 12.58 2.07 -1.17 -3.24 116.25 123.70 3kom h VAL 600 Ca -0.52 -1.04 -0.69 0.00 0.82 0.00 0.00 66.70 65.27 3kom h VAL 600 Cb 1.67 0.87 -0.36 0.00 -1.52 0.00 0.00 31.29 31.96 3kom h VAL 600 CO -0.19 0.37 -0.33 -0.63 0.02 0.00 0.00 177.57 176.82 3kom s ILE 601 N -5.10 3.77 0.13 4.57 1.01 -0.85 -4.75 121.20 119.98 3kom s ILE 601 Ca -0.12 -3.25 -0.32 0.00 0.00 0.00 0.00 60.65 56.96 3kom s ILE 601 Cb 0.12 -3.43 -0.12 0.00 0.01 0.00 0.00 42.46 39.04 3kom s ILE 601 CO 0.83 -0.93 1.78 1.17 0.00 0.00 0.00 174.94 177.79 3kom n LYS 602 N 3.13 2.65 0.17 2.79 4.81 -1.23 -4.49 118.16 126.00 3kom n LYS 602 Ca 0.11 0.96 0.05 0.00 -0.87 0.00 0.00 58.31 58.57 3kom n LYS 602 Cb 0.37 -2.82 0.22 0.00 0.02 0.00 0.00 35.03 32.82 3kom n LYS 602 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 3kom h ASP 603 N 7.83 0.00 -0.61 3.14 3.58 -1.90 -3.24 116.42 125.23 3kom h ASP 603 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 3kom h ASP 603 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 3kom h ASP 603 CO 0.94 0.39 0.00 -0.90 -2.88 0.00 0.00 179.24 176.80 3kom n ASP 604 N -3.36 4.42 -4.11 2.28 5.75 -1.26 -2.16 116.55 118.11 3kom n ASP 604 Ca 0.01 -2.38 -0.17 0.00 -0.01 0.00 0.00 54.79 52.24 3kom n ASP 604 Cb 0.59 -0.55 -0.12 0.00 -1.03 0.00 0.00 41.12 40.01 3kom n ASP 604 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3kom s ILE 605 N -1.77 0.84 0.81 2.12 -4.36 -1.22 -4.81 121.20 112.80 3kom s ILE 605 Ca 0.48 -1.06 -0.12 0.00 -0.26 0.00 0.00 60.65 59.68 3kom s ILE 605 Cb 0.30 -0.82 0.08 0.00 1.25 0.00 0.00 42.46 43.27 3kom s ILE 605 CO 0.24 -0.20 1.16 -2.84 0.24 0.00 0.00 174.94 173.53 3kom s PRO 606 N -1.41 1.75 0.04 0.37 0.02 -1.26 -4.61 135.00 129.90 3kom s PRO 606 Ca -0.04 1.55 0.07 0.00 0.02 0.00 0.00 61.00 62.60 3kom s PRO 606 Cb -0.09 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.60 3kom s PRO 606 CO 0.01 -2.09 -0.20 0.00 -0.33 0.00 0.00 177.00 174.39 3kom s ALA 607 N -2.44 1.72 -0.20 -1.55 0.00 -0.31 -0.99 121.76 117.99 3kom s ALA 607 Ca 0.68 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 3kom s ALA 607 Cb -0.24 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.56 3kom s ALA 607 CO 0.52 0.38 -0.13 0.08 0.00 0.00 0.00 175.76 176.61 3kom s VAL 608 N -0.79 2.59 -0.15 0.00 1.01 -0.27 -1.55 120.40 121.24 3kom s VAL 608 Ca 0.07 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 3kom s VAL 608 Cb -0.09 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3kom s VAL 608 CO 0.02 0.47 0.47 -0.36 0.00 0.00 0.00 175.10 175.69 3kom s PHE 609 N 1.36 3.45 -0.15 5.22 0.40 -0.66 -1.11 117.98 126.49 3kom s PHE 609 Ca 0.05 0.81 -0.00 0.00 -0.60 0.00 0.00 56.93 57.18 3kom s PHE 609 Cb -0.14 -2.57 0.03 0.00 0.51 0.00 0.00 43.02 40.86 3kom s PHE 609 CO -0.09 0.08 -0.08 0.08 0.70 0.00 0.00 175.22 175.91 3kom s VAL 610 N 0.97 1.26 0.00 -0.44 1.01 0.36 0.13 120.40 123.69 3kom s VAL 610 Ca 0.24 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3kom s VAL 610 Cb -0.15 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.91 3kom s VAL 610 CO 0.09 0.27 0.00 1.21 0.00 0.00 0.00 175.10 176.67 3kom n GLU 611 N 4.84 0.00 -0.32 2.72 2.13 -0.93 -3.85 120.64 125.23 3kom n GLU 611 Ca -0.13 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.73 3kom n GLU 611 Cb 0.49 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.18 3kom n GLU 611 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kom n ALA 613 N -3.00 -0.84 -1.96 4.31 0.00 -1.26 -4.16 120.51 113.60 3kom n ALA 613 Ca 0.00 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 3kom n ALA 613 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 3kom n ALA 613 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3kom s GLN 614 N -2.40 4.20 -0.04 0.00 -0.44 -0.36 -1.26 119.66 119.36 3kom s GLN 614 Ca 0.00 2.29 0.20 0.00 -2.50 0.00 0.00 55.36 55.34 3kom s GLN 614 Cb 0.00 -3.71 0.63 0.00 -1.64 0.00 0.00 33.01 28.29 3kom s GLN 614 CO 0.00 -0.76 1.54 -0.35 0.50 0.00 0.00 175.29 176.22 3kom n PRO 615 N 6.00 3.08 -0.04 1.67 -0.04 -1.26 -4.75 135.00 139.66 3kom n PRO 615 Ca 0.16 -2.68 -0.00 0.00 -0.04 0.00 0.00 63.50 60.94 3kom n PRO 615 Cb 0.41 -1.65 -0.00 0.00 -0.04 0.00 0.00 33.50 32.22 3kom n PRO 615 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kom n ASP 616 N 1.31 0.29 0.00 3.54 8.00 -1.26 -4.28 116.55 124.15 3kom n ASP 616 Ca 0.23 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.49 3kom n ASP 616 Cb 0.69 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 3kom n ASP 616 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3kom n TRP 618 N 2.33 0.00 0.18 1.24 7.02 -1.26 -4.65 117.44 122.30 3kom n TRP 618 Ca 0.01 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.63 3kom n TRP 618 Cb 0.04 -0.12 0.71 0.00 -2.42 0.00 0.00 31.31 29.52 3kom n TRP 618 CO 0.00 0.00 0.00 1.88 -2.02 0.00 0.00 177.69 177.55 3kom h TYR 619 N 0.00 0.00 -0.99 -5.99 0.05 -2.01 0.11 116.97 108.15 3kom h TYR 619 Ca 0.00 0.00 0.26 0.00 0.05 0.00 0.00 58.73 59.04 3kom h TYR 619 Cb 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.68 3kom h TYR 619 CO 0.00 0.00 0.68 -0.22 -1.05 0.00 0.00 178.16 177.57 3kom h LYS 620 N 0.00 0.21 -4.79 4.88 3.64 -1.96 -3.47 116.57 115.09 3kom h LYS 620 Ca 0.09 -0.01 -0.66 0.00 -1.27 0.00 0.00 60.65 58.79 3kom h LYS 620 Cb 0.37 -0.05 -0.19 0.00 -0.41 0.00 0.00 32.23 31.95 3kom h LYS 620 CO -0.00 0.14 -0.50 0.71 -2.27 0.00 0.00 179.45 177.52 3kom s TYR 621 N -5.23 3.22 0.25 1.91 2.02 0.02 -5.16 117.35 114.37 3kom s TYR 621 Ca -0.07 -0.15 0.09 0.00 -0.37 0.00 0.00 57.07 56.58 3kom s TYR 621 Cb 0.23 -2.43 -0.05 0.00 -0.40 0.00 0.00 41.96 39.31 3kom s TYR 621 CO 0.79 -0.31 -0.15 -1.25 -1.57 0.00 0.00 175.55 173.06 3kom s PRO 623 N 1.72 1.52 0.34 -1.71 0.04 -1.26 -5.06 135.00 130.59 3kom s PRO 623 Ca 0.06 -1.70 0.12 0.00 0.04 0.00 0.00 61.00 59.52 3kom s PRO 623 Cb -0.17 -1.40 0.94 0.00 0.04 0.00 0.00 34.50 33.91 3kom s PRO 623 CO 0.10 0.22 1.75 0.87 0.04 0.00 0.00 177.00 179.98 3kom h LYS 624 N 2.38 0.53 0.00 4.56 1.57 -1.87 0.21 116.57 123.95 3kom h LYS 624 Ca -0.39 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3kom h LYS 624 Cb 1.24 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3kom h LYS 624 CO 0.62 0.35 0.00 0.00 -0.57 0.00 0.00 179.45 179.85 3kom n ALA 625 N -2.37 1.67 0.00 3.86 0.00 -0.92 -5.00 120.51 117.75 3kom n ALA 625 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3kom n ALA 625 Cb 0.77 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3kom n ALA 625 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kom n GLY 626 N 0.01 -1.82 0.00 0.00 0.00 0.06 -4.44 105.19 99.00 3kom n GLY 626 Ca 0.03 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3kom n GLY 626 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kom n GLY 627 N 0.00 0.57 3.80 -0.02 0.00 -1.26 -1.17 105.19 107.12 3kom n GLY 627 Ca 0.00 -1.95 -0.07 0.00 0.00 0.00 0.00 46.02 44.00 3kom n GLY 627 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kom s GLU 628 N -0.87 1.64 0.05 1.61 -1.05 -0.60 -4.95 118.70 114.54 3kom s GLU 628 Ca 0.00 -0.89 0.05 0.00 -0.15 0.00 0.00 54.97 53.98 3kom s GLU 628 Cb 0.00 0.57 -0.04 0.00 -0.44 0.00 0.00 34.13 34.23 3kom s GLU 628 CO 0.00 -0.75 -0.06 0.14 0.95 0.00 0.00 175.26 175.53 3kom s VAL 629 N -3.80 3.63 -0.29 1.83 -7.23 -1.26 -1.66 120.40 111.62 3kom s VAL 629 Ca 0.10 -0.96 -0.00 0.00 -1.81 0.00 0.00 61.98 59.31 3kom s VAL 629 Cb -0.05 -2.64 0.09 0.00 0.56 0.00 0.00 36.38 34.34 3kom s VAL 629 CO 0.04 0.26 0.06 -0.75 -0.31 0.00 0.00 175.10 174.41 3kom s LYS 630 N -1.81 0.90 0.00 4.82 2.47 0.12 -4.91 119.74 121.32 3kom s LYS 630 Ca 0.20 -1.05 0.00 0.00 -1.56 0.00 0.00 55.97 53.56 3kom s LYS 630 Cb -0.11 -2.21 0.00 0.00 -1.46 0.00 0.00 37.83 34.05 3kom s LYS 630 CO 0.11 -0.88 0.00 0.41 0.16 0.00 0.00 175.35 175.15 3kom n GLY 631 N 4.79 5.33 3.04 5.54 0.00 -1.26 -2.20 105.19 120.43 3kom n GLY 631 Ca -0.04 -1.34 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 3kom n GLY 631 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kom s ILE 632 N 1.30 1.15 -0.41 -0.61 1.01 -0.39 -4.86 121.20 118.39 3kom s ILE 632 Ca 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.19 3kom s ILE 632 Cb 0.00 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.43 3kom s ILE 632 CO 0.00 0.36 0.46 -1.22 0.00 0.00 0.00 174.94 174.53 3kom n TYR 633 N 3.71 0.00 -3.87 3.97 4.01 -1.26 -3.19 117.16 120.53 3kom n TYR 633 Ca -0.22 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.28 3kom n TYR 633 Cb 0.52 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.51 3kom n TYR 633 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3kom s SER 634 N -0.76 4.70 0.87 7.72 1.04 -1.26 -5.11 113.70 120.90 3kom s SER 634 Ca 0.04 -1.00 -0.11 0.00 0.48 0.00 0.00 55.95 55.36 3kom s SER 634 Cb 0.03 -0.29 0.12 0.00 0.10 0.00 0.00 66.02 65.98 3kom s SER 634 CO 0.10 -0.72 1.10 -0.36 0.98 0.00 0.00 173.24 174.33 3kom s PHE 635 N -2.60 2.20 0.00 5.02 0.08 -1.26 -4.95 117.98 116.47 3kom s PHE 635 Ca 0.42 1.49 0.00 0.00 0.12 0.00 0.00 56.93 58.96 3kom s PHE 635 Cb -0.00 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.30 3kom s PHE 635 CO 0.24 -2.36 0.00 0.41 -0.10 0.00 0.00 175.22 173.41 3kom n GLY 636 N -0.73 -1.82 3.24 4.36 0.00 -1.26 -5.05 105.19 103.94 3kom n GLY 636 Ca 0.09 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 3kom n GLY 636 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kom s GLU 637 N -2.53 0.69 -0.63 1.61 2.02 -1.26 -4.39 118.70 114.21 3kom s GLU 637 Ca 0.00 -0.21 -0.27 0.00 0.02 0.00 0.00 54.97 54.51 3kom s GLU 637 Cb 0.00 0.30 0.04 0.00 0.10 0.00 0.00 34.13 34.57 3kom s GLU 637 CO 0.00 -0.19 1.15 0.45 0.02 0.00 0.00 175.26 176.69 3kom s SER 638 N -1.39 6.31 0.01 -0.19 0.15 -1.26 -4.30 113.70 113.03 3kom s SER 638 Ca -0.13 -0.25 -0.29 0.00 0.70 0.00 0.00 55.95 55.98 3kom s SER 638 Cb -0.05 -2.52 0.10 0.00 -1.71 0.00 0.00 66.02 61.84 3kom s SER 638 CO 0.04 -1.54 0.99 0.00 1.20 0.00 0.00 173.24 173.93 3kom s ALA 639 N 4.92 -1.85 0.58 5.45 0.00 -1.25 -4.96 121.76 124.64 3kom s ALA 639 Ca 0.36 0.82 -0.20 0.00 0.00 0.00 0.00 51.96 52.94 3kom s ALA 639 Cb -0.09 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 3kom s ALA 639 CO 0.20 -0.81 1.23 -2.30 0.00 0.00 0.00 175.76 174.08 3kom n PRO 640 N -0.31 1.34 -0.19 0.00 -0.02 -1.26 -2.58 135.00 131.98 3kom n PRO 640 Ca -0.07 0.50 0.01 0.00 -2.02 0.00 0.00 63.50 61.92 3kom n PRO 640 Cb 0.61 -2.44 0.10 0.00 -0.02 0.00 0.00 33.50 31.75 3kom n PRO 640 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kom h ALA 641 N 0.99 0.64 -0.87 3.55 0.00 -1.85 -1.21 119.26 120.51 3kom h ALA 641 Ca -0.50 0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.66 3kom h ALA 641 Cb 1.33 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 19.29 3kom h ALA 641 CO 0.55 -0.36 0.52 1.49 0.00 0.00 0.00 179.25 181.45 3kom h GLU 642 N 0.18 0.84 -0.58 0.00 4.81 -1.94 -0.17 114.58 117.73 3kom h GLU 642 Ca 0.31 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 3kom h GLU 642 Cb 0.48 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3kom h GLU 642 CO -0.46 0.56 -0.06 -0.44 -0.73 0.00 0.00 179.01 177.89 3kom h ASP 643 N 0.87 1.05 -0.69 1.04 3.32 -1.59 -2.84 116.42 117.58 3kom h ASP 643 Ca 0.42 -0.32 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 3kom h ASP 643 Cb 0.36 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3kom h ASP 643 CO -0.24 1.13 0.17 -0.07 -1.72 0.00 0.00 179.24 178.51 3kom h LEU 644 N 0.95 1.05 -1.23 1.55 3.38 -0.83 -2.46 115.31 117.72 3kom h LEU 644 Ca 0.16 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3kom h LEU 644 Cb 0.62 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3kom h LEU 644 CO 0.04 1.01 0.38 -0.26 0.09 0.00 0.00 178.44 179.69 3kom h PHE 645 N 1.04 0.88 -0.22 1.13 0.04 -0.90 -0.76 116.94 118.14 3kom h PHE 645 Ca 0.22 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 3kom h PHE 645 Cb 0.37 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 3kom h PHE 645 CO 0.03 0.60 0.04 0.87 -0.60 0.00 0.00 178.31 179.25 3kom h LYS 646 N 0.91 0.37 -0.38 1.51 1.57 -1.34 0.07 116.57 119.28 3kom h LYS 646 Ca 0.24 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3kom h LYS 646 Cb -0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3kom h LYS 646 CO -0.04 0.51 -0.06 0.00 -0.57 0.00 0.00 179.45 179.29 3kom h ARG 647 N 0.17 0.64 -0.01 3.15 3.08 -1.01 -3.12 114.38 117.29 3kom h ARG 647 Ca 0.07 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3kom h ARG 647 Cb 0.31 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3kom h ARG 647 CO 0.00 0.70 -0.35 1.19 -1.07 0.00 0.00 179.97 180.45 3kom n PHE 648 N -4.21 0.00 -0.66 3.04 3.01 -0.33 -4.97 117.46 113.34 3kom n PHE 648 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 3kom n PHE 648 Cb 0.31 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 3kom n PHE 648 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kom n GLY 649 N 1.37 0.61 3.02 1.37 0.00 -0.61 -4.99 105.19 105.97 3kom n GLY 649 Ca 0.11 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 3kom n GLY 649 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kom n PHE 650 N -2.66 3.00 -4.15 1.61 3.01 -0.09 -4.38 117.46 113.80 3kom n PHE 650 Ca 0.00 -2.84 -0.13 0.00 1.01 0.00 0.00 57.45 55.49 3kom n PHE 650 Cb 0.00 -1.63 -0.11 0.00 -0.01 0.00 0.00 39.48 37.74 3kom n PHE 650 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3kom s THR 651 N -1.14 0.75 0.23 4.37 -4.23 -1.26 -4.72 115.64 109.63 3kom s THR 651 Ca 0.35 -1.62 -0.07 0.00 -1.18 0.00 0.00 61.69 59.17 3kom s THR 651 Cb 0.05 -1.31 0.19 0.00 1.34 0.00 0.00 72.50 72.76 3kom s THR 651 CO 0.04 -0.64 1.84 0.58 -0.54 0.00 0.00 174.62 175.91 3kom h VAL 652 N 3.55 1.04 -0.14 2.29 2.07 -1.92 -1.55 116.25 121.59 3kom h VAL 652 Ca -0.36 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 66.86 3kom h VAL 652 Cb 1.18 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3kom h VAL 652 CO 0.55 0.16 0.06 -0.08 0.02 0.00 0.00 177.57 178.27 3kom h GLU 653 N 0.89 0.12 -0.22 1.57 4.81 -1.96 -0.65 114.58 119.14 3kom h GLU 653 Ca 0.34 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.45 3kom h GLU 653 Cb 0.14 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3kom h GLU 653 CO -0.16 0.08 -0.32 -0.97 -0.73 0.00 0.00 179.01 176.91 3kom h ASN 654 N 0.13 0.66 -0.28 1.04 -0.00 -1.78 -1.60 115.58 113.75 3kom h ASN 654 Ca 0.06 -0.51 -0.04 0.00 -0.00 0.00 0.00 56.30 55.80 3kom h ASN 654 Cb 0.02 -0.19 -0.02 0.00 -0.00 0.00 0.00 38.32 38.14 3kom h ASN 654 CO -0.05 1.05 0.06 0.40 -0.00 0.00 0.00 177.43 178.88 3kom h ILE 655 N 0.30 1.19 -0.58 2.57 1.08 -1.29 -1.57 117.51 119.21 3kom h ILE 655 Ca 0.02 -0.69 -0.09 0.00 -0.39 0.00 0.00 64.86 63.71 3kom h ILE 655 Cb 0.90 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 3kom h ILE 655 CO 0.07 0.25 0.02 0.28 -0.69 0.00 0.00 178.15 178.08 3kom h SER 656 N 0.54 0.96 -0.56 1.72 0.02 -0.87 -1.27 113.55 114.10 3kom h SER 656 Ca 0.12 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 3kom h SER 656 Cb 0.26 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 3kom h SER 656 CO 0.00 1.01 0.25 0.78 -1.14 0.00 0.00 176.83 177.74 3kom h ASN 657 N 0.92 0.78 -0.13 3.07 2.35 -0.54 0.23 115.58 122.25 3kom h ASN 657 Ca 0.17 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3kom h ASN 657 Cb 0.51 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 3kom h ASN 657 CO 0.02 0.69 -0.01 0.40 -1.65 0.00 0.00 177.43 176.88 3kom h ILE 658 N 0.85 1.27 -0.95 2.81 2.04 -0.93 -3.11 117.51 119.49 3kom h ILE 658 Ca 0.21 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.19 3kom h ILE 658 Cb 0.14 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 3kom h ILE 658 CO -0.02 0.26 0.63 0.58 0.00 0.00 0.00 178.15 179.59 3kom h VAL 659 N -0.04 1.22 0.00 1.67 2.07 -0.90 -2.47 116.25 117.80 3kom h VAL 659 Ca 0.04 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3kom h VAL 659 Cb 0.40 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3kom h VAL 659 CO 0.01 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.83 3kom h ALA 660 N 1.36 1.00 0.00 1.67 0.00 -0.48 -0.67 119.26 122.14 3kom h ALA 660 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3kom h ALA 660 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kom h ALA 660 CO -0.09 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.03 3kom h LYS 661 N 0.00 0.00 0.00 0.00 1.57 -1.45 -3.29 116.57 113.40 3kom h LYS 661 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3kom h LYS 661 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3kom h LYS 661 CO 0.00 0.00 -1.45 0.66 -0.57 0.00 0.00 179.45 178.09 3kom n TYR 662 N -2.64 0.00 -0.04 -1.35 4.02 -0.26 -5.17 117.16 111.71 3kom n TYR 662 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3kom n TYR 662 Cb 0.23 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 3kom n TYR 662 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18