#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ura s PRO 5 N 0.00 3.94 0.14 0.03 0.04 -1.26 -5.00 135.00 132.89 1ura s PRO 5 Ca 0.00 0.60 0.04 0.00 0.04 0.00 0.00 61.00 61.68 1ura s PRO 5 Cb 0.00 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1ura s PRO 5 CO 0.00 0.12 0.14 0.14 0.04 0.00 0.00 177.00 177.44 1ura s VAL 6 N -2.06 4.64 -0.50 -0.36 -7.23 -1.26 -4.82 120.40 108.81 1ura s VAL 6 Ca 0.53 -0.92 -0.27 0.00 -1.81 0.00 0.00 61.98 59.51 1ura s VAL 6 Cb -0.10 -3.33 -0.03 0.00 0.56 0.00 0.00 36.38 33.48 1ura s VAL 6 CO 0.21 -0.03 2.00 -0.76 -0.31 0.00 0.00 175.10 176.20 1ura s LEU 7 N -2.90 3.38 0.21 1.32 1.02 -0.66 -4.84 118.68 116.21 1ura s LEU 7 Ca 0.31 0.83 -0.11 0.00 0.02 0.00 0.00 54.13 55.18 1ura s LEU 7 Cb -0.11 -2.81 0.15 0.00 0.02 0.00 0.00 46.19 43.45 1ura s LEU 7 CO 0.24 -2.32 1.88 -0.33 0.02 0.00 0.00 176.35 175.83 1ura h GLU 8 N 15.59 0.95 -1.18 1.70 5.08 -1.95 -3.44 114.58 131.34 1ura h GLU 8 Ca -0.28 -0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1ura h GLU 8 Cb 1.19 -0.22 -0.21 0.00 0.50 0.00 0.00 28.75 30.02 1ura h GLU 8 CO 1.15 0.63 -0.17 1.21 -1.00 0.00 0.00 179.01 180.82 1ura s ASN 9 N -5.85 -1.20 -0.23 1.42 3.84 -1.26 -5.01 114.94 106.64 1ura s ASN 9 Ca -0.13 0.99 0.12 0.00 0.21 0.00 0.00 52.86 54.05 1ura s ASN 9 Cb 0.15 2.10 0.45 0.00 -0.55 0.00 0.00 41.25 43.40 1ura s ASN 9 CO 0.78 -0.23 1.34 0.54 -2.79 0.00 0.00 177.10 176.73 1ura n ARG 10 N 5.42 1.83 -2.28 0.43 5.12 -1.26 -4.92 116.66 120.99 1ura n ARG 10 Ca -0.05 -3.07 -0.31 0.00 -1.93 0.00 0.00 57.85 52.49 1ura n ARG 10 Cb 0.51 -1.71 -0.01 0.00 -1.16 0.00 0.00 32.46 30.08 1ura n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ura s ALA 11 N -3.13 3.15 -0.02 7.54 0.00 -1.26 -4.70 121.76 123.33 1ura s ALA 11 Ca 0.40 -0.04 -0.36 0.00 0.00 0.00 0.00 51.96 51.97 1ura s ALA 11 Cb 0.37 -3.00 -0.15 0.00 0.00 0.00 0.00 23.12 20.34 1ura s ALA 11 CO -0.00 -0.39 1.63 0.00 0.00 0.00 0.00 175.76 176.99 1ura n ALA 12 N -2.05 0.26 0.33 0.00 0.00 0.49 -4.49 120.51 115.05 1ura n ALA 12 Ca 0.05 0.41 0.14 0.00 0.00 0.00 0.00 53.44 54.04 1ura n ALA 12 Cb 0.54 -2.28 0.61 0.00 0.00 0.00 0.00 19.45 18.32 1ura n ALA 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ura h GLN 13 N 6.67 0.00 0.00 0.00 1.08 -0.37 -3.48 115.11 119.01 1ura h GLN 13 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1ura h GLN 13 Cb 1.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1ura h GLN 13 CO 0.89 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.18 1ura n GLY 14 N -0.24 3.21 3.59 3.46 0.00 -0.27 -5.05 105.19 109.88 1ura n GLY 14 Ca 0.01 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1ura n GLY 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ura s ASP 15 N 2.00 6.42 0.65 1.61 2.15 -1.25 -4.76 116.67 123.48 1ura s ASP 15 Ca 0.00 0.41 0.30 0.00 0.43 0.00 0.00 52.55 53.69 1ura s ASP 15 Cb 0.00 -2.55 1.61 0.00 -0.30 0.00 0.00 42.92 41.68 1ura s ASP 15 CO 0.00 -1.44 1.93 0.40 -0.17 0.00 0.00 175.17 175.89 1ura h ILE 16 N 6.30 0.10 0.10 4.11 2.04 -1.97 0.07 117.51 128.26 1ura h ILE 16 Ca -0.25 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.34 1ura h ILE 16 Cb 1.08 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1ura h ILE 16 CO 1.14 0.00 -1.22 0.74 0.00 0.00 0.00 178.15 178.82 1ura h THR 17 N 0.00 1.52 -3.45 -0.27 2.02 -1.91 -3.41 112.91 107.41 1ura h THR 17 Ca 0.05 -3.12 -0.50 0.00 0.77 0.00 0.00 66.41 63.61 1ura h THR 17 Cb 0.75 2.91 0.01 0.00 -1.74 0.00 0.00 68.15 70.08 1ura h THR 17 CO -0.00 0.90 0.01 0.00 0.37 0.00 0.00 175.52 176.80 1ura s ALA 18 N -2.66 3.47 0.21 6.16 0.00 0.01 -5.00 121.76 123.95 1ura s ALA 18 Ca -0.03 -0.42 -0.32 0.00 0.00 0.00 0.00 51.96 51.18 1ura s ALA 18 Cb 0.08 -2.51 -0.13 0.00 0.00 0.00 0.00 23.12 20.56 1ura s ALA 18 CO 0.87 0.01 1.61 -0.35 0.00 0.00 0.00 175.76 177.90 1ura n PRO 19 N -1.38 2.47 -0.42 0.00 -0.04 -1.26 -0.94 135.00 133.43 1ura n PRO 19 Ca 0.00 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 1ura n PRO 19 Cb 0.54 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1ura n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ura n GLY 20 N 3.21 2.08 0.20 0.55 0.00 -1.26 -4.86 105.19 105.10 1ura n GLY 20 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1ura n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ura h GLY 21 N 0.00 0.00 0.50 -0.02 0.00 -1.13 -2.96 103.07 99.46 1ura h GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ura h GLY 21 CO 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 176.54 176.24 1ura n ALA 22 N -2.25 3.15 -1.63 3.60 0.00 -1.26 -1.12 120.51 121.01 1ura n ALA 22 Ca 0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 1ura n ALA 22 Cb 0.51 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 18.82 1ura n ALA 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ura n ARG 23 N -0.89 1.43 -0.01 0.00 1.74 -1.12 -4.56 116.66 113.25 1ura n ARG 23 Ca 0.11 0.51 0.07 0.00 -0.77 0.00 0.00 57.85 57.77 1ura n ARG 23 Cb 0.34 -2.11 -0.11 0.00 -1.02 0.00 0.00 32.46 29.56 1ura n ARG 23 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ura n ARG 24 N 0.05 0.72 -4.03 5.56 1.74 -1.26 0.08 116.66 119.52 1ura n ARG 24 Ca 0.09 -0.11 -0.34 0.00 -0.77 0.00 0.00 57.85 56.72 1ura n ARG 24 Cb 0.40 -1.31 -0.06 0.00 -1.02 0.00 0.00 32.46 30.46 1ura n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ura s LEU 25 N -3.80 4.09 0.00 0.55 1.43 -1.26 -4.54 118.68 115.15 1ura s LEU 25 Ca -0.04 0.26 0.10 0.00 -1.03 0.00 0.00 54.13 53.42 1ura s LEU 25 Cb 0.09 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 1ura s LEU 25 CO 0.59 0.30 0.58 0.35 0.23 0.00 0.00 176.35 178.41 1ura n THR 26 N 1.33 0.00 -3.69 5.49 -2.24 -1.26 -4.99 114.28 108.93 1ura n THR 26 Ca -0.14 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1ura n THR 26 Cb 0.53 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1ura n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ura n GLY 27 N 0.94 0.75 3.69 3.38 0.00 -1.26 -5.11 105.19 107.59 1ura n GLY 27 Ca 0.04 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1ura n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ura s ASP 28 N -0.64 7.14 0.00 1.61 2.15 -1.26 -4.96 116.67 120.70 1ura s ASP 28 Ca 0.00 1.75 0.25 0.00 0.43 0.00 0.00 52.55 54.98 1ura s ASP 28 Cb 0.00 -2.56 0.97 0.00 -0.30 0.00 0.00 42.92 41.02 1ura s ASP 28 CO 0.00 -0.50 1.69 0.00 -0.17 0.00 0.00 175.17 176.19 1ura n GLN 29 N 4.85 1.66 -0.23 4.34 1.13 -1.26 -4.61 117.38 123.26 1ura n GLN 29 Ca 0.10 -0.98 -0.09 0.00 -1.94 0.00 0.00 57.00 54.09 1ura n GLN 29 Cb 0.47 -1.45 -0.04 0.00 0.11 0.00 0.00 30.24 29.33 1ura n GLN 29 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1ura h THR 30 N 2.21 0.06 -0.30 5.09 2.02 -2.00 -1.09 112.91 118.90 1ura h THR 30 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1ura h THR 30 Cb 0.47 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1ura h THR 30 CO 0.00 0.00 0.10 0.00 0.37 0.00 0.00 175.52 175.99 1ura h ALA 31 N 0.59 0.34 -0.58 6.16 0.00 -2.00 -1.76 119.26 122.00 1ura h ALA 31 Ca 0.18 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1ura h ALA 31 Cb 0.56 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1ura h ALA 31 CO -0.72 -0.31 0.19 0.00 0.00 0.00 0.00 179.25 178.42 1ura h ALA 32 N 1.20 0.72 -0.65 0.00 0.00 -1.68 -1.62 119.26 117.23 1ura h ALA 32 Ca 0.14 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1ura h ALA 32 Cb 0.11 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1ura h ALA 32 CO -0.15 -0.23 0.09 -0.07 0.00 0.00 0.00 179.25 178.90 1ura h LEU 33 N 0.36 1.03 -0.37 0.00 3.38 -0.78 -2.51 115.31 116.42 1ura h LEU 33 Ca 0.29 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1ura h LEU 33 Cb 0.37 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1ura h LEU 33 CO -0.31 1.03 0.18 0.03 0.09 0.00 0.00 178.44 179.46 1ura h ARG 34 N 1.01 0.36 0.00 1.13 3.08 -0.55 0.19 114.38 119.60 1ura h ARG 34 Ca 0.20 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1ura h ARG 34 Cb 0.45 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1ura h ARG 34 CO 0.01 0.24 0.00 -0.25 -1.07 0.00 0.00 179.97 178.90 1ura n ASP 35 N -4.94 0.01 -0.00 7.04 8.00 -0.69 -1.72 116.55 124.25 1ura n ASP 35 Ca 0.01 0.50 0.11 0.00 0.71 0.00 0.00 54.79 56.13 1ura n ASP 35 Cb 0.10 -0.50 0.14 0.00 -0.02 0.00 0.00 41.12 40.83 1ura n ASP 35 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ura n SER 36 N -1.51 0.66 -4.63 -2.24 7.64 0.04 -4.30 113.62 109.28 1ura n SER 36 Ca 0.02 -0.49 -0.38 0.00 1.01 0.00 0.00 58.87 59.03 1ura n SER 36 Cb 0.12 0.48 -0.09 0.00 -1.01 0.00 0.00 64.21 63.71 1ura n SER 36 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ura s LEU 37 N -3.00 4.08 -0.17 -3.43 1.02 -0.70 -4.72 118.68 111.77 1ura s LEU 37 Ca 0.10 0.29 -0.12 0.00 0.02 0.00 0.00 54.13 54.42 1ura s LEU 37 Cb 0.17 -2.37 0.05 0.00 0.02 0.00 0.00 46.19 44.06 1ura s LEU 37 CO 0.75 -0.11 0.42 -0.55 0.02 0.00 0.00 176.35 176.89 1ura s SER 38 N 1.42 -0.49 0.00 2.29 0.15 -1.26 -5.03 113.70 110.77 1ura s SER 38 Ca 0.14 0.89 0.22 0.00 0.70 0.00 0.00 55.95 57.90 1ura s SER 38 Cb -0.15 0.83 0.36 0.00 -1.71 0.00 0.00 66.02 65.35 1ura s SER 38 CO 0.09 -0.17 1.33 -0.90 1.20 0.00 0.00 173.24 174.79 1ura n ASP 39 N 3.62 3.27 -4.72 5.45 5.68 -1.26 -0.94 116.55 127.65 1ura n ASP 39 Ca -0.19 -1.96 -0.34 0.00 -0.50 0.00 0.00 54.79 51.81 1ura n ASP 39 Cb 0.56 -0.19 0.10 0.00 -1.14 0.00 0.00 41.12 40.45 1ura n ASP 39 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1ura s LYS 40 N -1.50 2.02 0.52 0.11 -2.85 -1.26 -4.84 119.74 111.94 1ura s LYS 40 Ca 0.34 1.68 -0.22 0.00 -1.00 0.00 0.00 55.97 56.77 1ura s LYS 40 Cb 0.21 -1.83 -0.06 0.00 -2.06 0.00 0.00 37.83 34.09 1ura s LYS 40 CO 0.29 -1.91 1.35 -2.14 0.10 0.00 0.00 175.35 173.04 1ura s PRO 41 N -4.08 3.30 -0.18 1.78 0.02 -1.26 -4.48 135.00 130.10 1ura s PRO 41 Ca 0.72 2.21 -0.11 0.00 0.02 0.00 0.00 61.00 63.84 1ura s PRO 41 Cb -0.27 -2.34 -0.05 0.00 0.02 0.00 0.00 34.50 31.86 1ura s PRO 41 CO 0.47 -1.05 0.18 0.00 -0.33 0.00 0.00 177.00 176.27 1ura s ALA 42 N -1.31 3.67 0.05 -1.55 0.00 -0.26 -4.95 121.76 117.41 1ura s ALA 42 Ca 0.69 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1ura s ALA 42 Cb -0.40 -2.23 -0.25 0.00 0.00 0.00 0.00 23.12 20.25 1ura s ALA 42 CO 0.48 0.16 1.03 -0.22 0.00 0.00 0.00 175.76 177.20 1ura h LYS 43 N 6.60 0.13 -4.92 0.00 3.64 -0.97 -3.38 116.57 117.68 1ura h LYS 43 Ca -0.42 -0.22 -0.30 0.00 -1.27 0.00 0.00 60.65 58.44 1ura h LYS 43 Cb 1.16 0.08 -0.15 0.00 -0.41 0.00 0.00 32.23 32.91 1ura h LYS 43 CO 0.75 1.00 -0.69 -0.80 -2.27 0.00 0.00 179.45 177.45 1ura s ASN 44 N -6.79 1.51 -0.06 4.20 0.01 -1.09 -3.22 114.94 109.50 1ura s ASN 44 Ca -0.04 -1.09 -0.02 0.00 -0.71 0.00 0.00 52.86 50.99 1ura s ASN 44 Cb 0.08 0.05 0.04 0.00 0.41 0.00 0.00 41.25 41.83 1ura s ASN 44 CO 0.84 -0.46 0.12 -0.63 -1.51 0.00 0.00 177.10 175.47 1ura s ILE 45 N -3.49 -0.07 -0.18 0.60 1.01 -0.65 -1.53 121.20 116.89 1ura s ILE 45 Ca 0.20 0.21 0.01 0.00 0.00 0.00 0.00 60.65 61.06 1ura s ILE 45 Cb 0.05 -0.21 0.03 0.00 0.01 0.00 0.00 42.46 42.33 1ura s ILE 45 CO 0.02 0.08 -0.17 -0.63 0.00 0.00 0.00 174.94 174.25 1ura s ILE 46 N 1.24 1.90 -0.29 2.92 1.01 -0.34 -0.79 121.20 126.85 1ura s ILE 46 Ca -0.08 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.57 1ura s ILE 46 Cb -0.12 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.57 1ura s ILE 46 CO -0.05 0.42 0.06 -0.22 0.00 0.00 0.00 174.94 175.15 1ura s LEU 47 N 1.33 3.83 -0.27 2.97 0.20 0.32 -1.55 118.68 125.50 1ura s LEU 47 Ca 0.03 -0.80 -0.11 0.00 0.69 0.00 0.00 54.13 53.94 1ura s LEU 47 Cb -0.14 -1.85 -0.05 0.00 -0.43 0.00 0.00 46.19 43.72 1ura s LEU 47 CO -0.11 -0.20 0.19 -0.76 -0.29 0.00 0.00 176.35 175.18 1ura s LEU 48 N 1.46 4.03 -0.21 -0.68 2.01 0.13 -0.33 118.68 125.09 1ura s LEU 48 Ca 0.02 0.02 -0.04 0.00 0.01 0.00 0.00 54.13 54.14 1ura s LEU 48 Cb -0.17 -2.13 -0.01 0.00 0.01 0.00 0.00 46.19 43.89 1ura s LEU 48 CO 0.02 -0.04 -0.05 -0.63 1.01 0.00 0.00 176.35 176.65 1ura s ILE 49 N 1.69 3.37 -0.50 -0.59 -1.09 0.49 -1.59 121.20 122.98 1ura s ILE 49 Ca 0.07 -0.50 -0.17 0.00 -2.23 0.00 0.00 60.65 57.82 1ura s ILE 49 Cb -0.16 -2.52 0.07 0.00 -1.58 0.00 0.00 42.46 38.28 1ura s ILE 49 CO 0.10 0.43 0.50 -0.83 -1.23 0.00 0.00 174.94 173.91 1ura s GLY 50 N 1.35 1.95 -0.11 6.18 0.00 0.36 -0.41 107.32 116.63 1ura s GLY 50 Ca 0.04 -2.03 -0.29 0.00 0.00 0.00 0.00 44.72 42.44 1ura s GLY 50 CO -0.02 1.23 1.92 0.21 0.00 0.00 0.00 173.10 176.44 1ura s ASN 51 N 2.76 6.16 0.00 1.64 3.84 -0.77 -1.63 114.94 126.94 1ura s ASN 51 Ca 0.08 2.13 0.00 0.00 0.21 0.00 0.00 52.86 55.28 1ura s ASN 51 Cb -0.23 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 37.94 1ura s ASN 51 CO 0.08 -1.36 0.00 0.61 -2.79 0.00 0.00 177.10 173.64 1ura n GLY 52 N 4.90 0.49 3.42 1.21 0.00 -1.24 -0.82 105.19 113.14 1ura n GLY 52 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1ura n GLY 52 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ura n MET 53 N -2.34 3.14 -1.43 1.61 1.56 -0.64 -3.65 117.12 115.36 1ura n MET 53 Ca 0.00 -3.16 -0.18 0.00 -0.27 0.00 0.00 57.70 54.09 1ura n MET 53 Cb 0.06 -3.45 0.12 0.00 2.15 0.00 0.00 33.22 32.10 1ura n MET 53 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1ura n GLY 54 N 5.13 -0.75 0.35 -5.12 0.00 -1.26 -4.48 105.19 99.06 1ura n GLY 54 Ca 0.49 -1.79 0.04 0.00 0.00 0.00 0.00 46.02 44.77 1ura n GLY 54 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ura h ASP 55 N -0.91 0.75 -0.42 1.61 5.19 -1.93 -2.00 116.42 118.72 1ura h ASP 55 Ca -0.26 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1ura h ASP 55 Cb 0.78 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 1ura h ASP 55 CO 0.21 0.51 0.27 0.28 -3.12 0.00 0.00 179.24 177.38 1ura h SER 56 N 0.87 0.49 -0.69 6.45 0.02 -1.93 -1.29 113.55 117.47 1ura h SER 56 Ca 0.31 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1ura h SER 56 Cb 0.12 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1ura h SER 56 CO -0.09 0.38 0.46 -0.33 -1.14 0.00 0.00 176.83 176.10 1ura h GLU 57 N 0.56 0.91 -0.19 3.45 3.07 -1.66 0.21 114.58 120.93 1ura h GLU 57 Ca 0.15 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 1ura h GLU 57 Cb -0.04 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.66 1ura h GLU 57 CO -0.03 0.60 0.08 0.82 -1.40 0.00 0.00 179.01 179.08 1ura h ILE 58 N 0.93 1.15 -0.56 3.13 2.04 -1.13 -1.85 117.51 121.22 1ura h ILE 58 Ca 0.25 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1ura h ILE 58 Cb -0.10 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1ura h ILE 58 CO -0.06 0.14 0.21 0.74 0.00 0.00 0.00 178.15 179.19 1ura h THR 59 N 0.16 1.23 -0.33 -0.27 2.02 -0.90 0.17 112.91 114.98 1ura h THR 59 Ca 0.06 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1ura h THR 59 Cb 0.15 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1ura h THR 59 CO -0.01 0.27 0.17 0.00 0.37 0.00 0.00 175.52 176.32 1ura h ALA 60 N 1.07 0.43 -0.75 6.16 0.00 -0.89 -0.08 119.26 125.20 1ura h ALA 60 Ca 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ura h ALA 60 Cb 0.22 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1ura h ALA 60 CO -0.01 -0.02 0.31 0.00 0.00 0.00 0.00 179.25 179.53 1ura h ALA 61 N 1.02 0.98 -0.02 0.00 0.00 -1.04 -1.88 119.26 118.32 1ura h ALA 61 Ca 0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ura h ALA 61 Cb 0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1ura h ALA 61 CO -0.02 0.59 0.00 -0.09 0.00 0.00 0.00 179.25 179.74 1ura h ARG 62 N 1.08 0.03 -0.55 0.00 2.43 -0.74 -0.90 114.38 115.74 1ura h ARG 62 Ca 0.25 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.52 1ura h ARG 62 Cb 0.20 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.66 1ura h ARG 62 CO -0.02 0.33 0.08 -0.91 -1.51 0.00 0.00 179.97 177.93 1ura h ASN 63 N -0.26 -0.08 0.29 -3.80 2.35 -0.86 0.38 115.58 113.60 1ura h ASN 63 Ca 0.01 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1ura h ASN 63 Cb 0.31 0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1ura h ASN 63 CO 0.00 -0.02 -0.14 0.22 -1.65 0.00 0.00 177.43 175.84 1ura h TYR 64 N 0.20 -0.36 -0.01 1.19 5.03 -1.29 -2.41 116.97 119.32 1ura h TYR 64 Ca 0.28 -0.01 -0.26 0.00 2.58 0.00 0.00 58.73 61.33 1ura h TYR 64 Cb 0.42 0.12 0.02 0.00 1.55 0.00 0.00 36.73 38.84 1ura h TYR 64 CO -0.27 -0.02 -1.01 0.00 -1.32 0.00 0.00 178.16 175.54 1ura h ALA 65 N -0.56 0.16 -0.00 1.82 0.00 -1.09 -1.27 119.26 118.32 1ura h ALA 65 Ca -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1ura h ALA 65 Cb 0.50 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ura h ALA 65 CO 0.06 0.69 -0.24 0.39 0.00 0.00 0.00 179.25 180.16 1ura n GLU 66 N -3.86 3.39 0.00 0.00 -0.58 0.11 -4.80 120.64 114.90 1ura n GLU 66 Ca -0.10 -0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.36 1ura n GLU 66 Cb 0.87 -0.92 0.00 0.00 -0.57 0.00 0.00 31.44 30.81 1ura n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ura n GLY 67 N 0.97 -0.72 0.33 0.62 0.00 0.01 -3.36 105.19 103.03 1ura n GLY 67 Ca 0.02 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.60 1ura n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ura h ALA 68 N 0.00 1.46 -0.29 4.61 0.00 -1.79 0.39 119.26 123.63 1ura h ALA 68 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ura h ALA 68 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ura h ALA 68 CO 0.00 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1ura n GLY 69 N -1.33 0.53 1.73 0.00 0.00 -1.26 -4.90 105.19 99.96 1ura n GLY 69 Ca 0.20 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 1ura n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ura n GLY 70 N 1.08 -2.66 3.48 -0.02 0.00 0.14 -0.38 105.19 106.83 1ura n GLY 70 Ca 0.13 -1.46 -0.07 0.00 0.00 0.00 0.00 46.02 44.62 1ura n GLY 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ura s PHE 71 N -1.97 -0.97 -0.40 1.61 5.36 -1.26 -4.58 117.98 115.77 1ura s PHE 71 Ca 0.35 1.86 -0.29 0.00 -0.96 0.00 0.00 56.93 57.89 1ura s PHE 71 Cb -0.04 0.52 0.02 0.00 -0.34 0.00 0.00 43.02 43.19 1ura s PHE 71 CO 0.27 -0.51 1.09 -0.06 -1.46 0.00 0.00 175.22 174.55 1ura s PHE 72 N 2.12 2.98 -0.01 10.12 0.08 -1.26 -4.90 117.98 127.11 1ura s PHE 72 Ca -0.07 0.92 0.24 0.00 0.12 0.00 0.00 56.93 58.15 1ura s PHE 72 Cb -0.09 -4.06 1.33 0.00 -0.57 0.00 0.00 43.02 39.63 1ura s PHE 72 CO -0.16 -1.02 1.74 0.87 -0.10 0.00 0.00 175.22 176.54 1ura h LYS 73 N 8.68 0.00 0.00 0.44 1.57 -1.95 -2.26 116.57 123.05 1ura h LYS 73 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1ura h LYS 73 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1ura h LYS 73 CO 1.08 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.37 1ura n GLY 74 N -1.26 -0.28 0.25 3.86 0.00 -1.26 -4.41 105.19 102.09 1ura n GLY 74 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1ura n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ura h ILE 75 N 0.00 0.55 -0.01 -0.61 2.04 -1.80 -1.47 117.51 116.21 1ura h ILE 75 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1ura h ILE 75 Cb 0.00 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1ura h ILE 75 CO 0.00 0.05 -0.12 0.47 0.00 0.00 0.00 178.15 178.55 1ura n ASP 76 N -5.16 0.80 0.15 1.72 8.00 -0.85 -4.12 116.55 117.08 1ura n ASP 76 Ca 0.12 -0.89 0.13 0.00 0.71 0.00 0.00 54.79 54.85 1ura n ASP 76 Cb 0.40 0.01 0.28 0.00 -0.02 0.00 0.00 41.12 41.79 1ura n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ura h ALA 77 N 3.82 0.97 -2.26 2.24 0.00 -1.28 -3.46 119.26 119.29 1ura h ALA 77 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1ura h ALA 77 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ura h ALA 77 CO 0.00 0.00 1.07 -0.51 0.00 0.00 0.00 179.25 179.81 1ura s LEU 78 N -5.26 4.31 0.23 0.00 1.43 -1.25 -1.65 118.68 116.50 1ura s LEU 78 Ca 0.09 2.20 -0.03 0.00 -1.03 0.00 0.00 54.13 55.35 1ura s LEU 78 Cb 0.09 -3.53 0.25 0.00 0.03 0.00 0.00 46.19 43.03 1ura s LEU 78 CO 0.64 -0.91 1.70 1.55 0.23 0.00 0.00 176.35 179.56 1ura h PRO 79 N 9.39 0.81 -4.91 1.29 0.13 -1.88 -3.43 132.00 133.41 1ura h PRO 79 Ca -0.38 -0.26 -0.65 0.00 -0.87 0.00 0.00 66.00 63.83 1ura h PRO 79 Cb 1.17 -0.07 -0.17 0.00 0.13 0.00 0.00 31.00 32.06 1ura h PRO 79 CO 0.95 0.87 -0.41 -0.51 -0.23 0.00 0.00 178.00 178.67 1ura s LEU 80 N -9.07 4.23 0.22 1.56 1.43 -1.13 -5.00 118.68 110.93 1ura s LEU 80 Ca -0.10 -0.10 0.09 0.00 -1.03 0.00 0.00 54.13 52.99 1ura s LEU 80 Cb 0.14 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 1ura s LEU 80 CO 0.82 -0.18 -0.16 0.42 0.23 0.00 0.00 176.35 177.49 1ura s THR 81 N 1.86 1.93 0.10 5.49 -4.23 -1.26 -0.61 115.64 118.91 1ura s THR 81 Ca 0.09 -2.24 -0.09 0.00 -1.18 0.00 0.00 61.69 58.27 1ura s THR 81 Cb -0.16 -2.09 0.03 0.00 1.34 0.00 0.00 72.50 71.62 1ura s THR 81 CO 0.11 -0.52 0.45 0.61 -0.54 0.00 0.00 174.62 174.73 1ura n GLY 82 N -0.38 1.06 3.03 3.99 0.00 -0.26 -3.87 105.19 108.77 1ura n GLY 82 Ca -0.08 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.68 1ura n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ura s GLN 83 N -2.03 1.36 0.08 1.61 1.11 -0.68 -1.51 119.66 119.61 1ura s GLN 83 Ca 0.10 -0.40 0.07 0.00 0.01 0.00 0.00 55.36 55.14 1ura s GLN 83 Cb -0.01 -1.20 -0.03 0.00 -1.01 0.00 0.00 33.01 30.76 1ura s GLN 83 CO 0.03 0.11 -0.18 1.52 0.01 0.00 0.00 175.29 176.78 1ura s TYR 84 N 0.33 1.58 0.24 0.91 1.13 -0.52 -2.11 117.35 118.91 1ura s TYR 84 Ca -0.07 -0.42 -0.13 0.00 -1.41 0.00 0.00 57.07 55.04 1ura s TYR 84 Cb -0.12 -0.88 -0.08 0.00 -1.10 0.00 0.00 41.96 39.78 1ura s TYR 84 CO 0.02 0.14 0.61 0.95 -2.51 0.00 0.00 175.55 174.76 1ura s THR 85 N -1.14 4.82 -0.14 -3.49 -4.23 -0.42 -2.69 115.64 108.35 1ura s THR 85 Ca 0.04 0.74 0.23 0.00 -1.18 0.00 0.00 61.69 61.52 1ura s THR 85 Cb -0.10 -3.66 0.47 0.00 1.34 0.00 0.00 72.50 70.55 1ura s THR 85 CO 0.03 -0.01 1.15 0.00 -0.54 0.00 0.00 174.62 175.25 1ura n HIS 86 N 0.07 0.68 -1.89 3.99 1.44 -1.26 -1.10 115.22 117.15 1ura n HIS 86 Ca -0.00 -1.35 -0.35 0.00 -2.01 0.00 0.00 57.72 54.01 1ura n HIS 86 Cb 0.52 -0.20 0.04 0.00 0.12 0.00 0.00 29.99 30.48 1ura n HIS 86 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1ura s TYR 87 N -2.01 2.45 0.00 -1.40 1.13 -1.26 -4.43 117.35 111.84 1ura s TYR 87 Ca 0.32 1.55 0.00 0.00 -1.41 0.00 0.00 57.07 57.52 1ura s TYR 87 Cb 0.36 -3.35 0.00 0.00 -1.10 0.00 0.00 41.96 37.86 1ura s TYR 87 CO -0.10 -2.00 0.00 0.00 -2.51 0.00 0.00 175.55 170.94 1ura n ALA 88 N -1.95 0.00 -2.53 9.51 0.00 0.05 -4.91 120.51 120.68 1ura n ALA 88 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.33 1ura n ALA 88 Cb 0.51 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.83 1ura n ALA 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ura s LEU 89 N 0.00 2.32 -0.13 0.00 1.43 -0.13 -0.73 118.68 121.44 1ura s LEU 89 Ca 0.00 -0.72 -0.25 0.00 -1.03 0.00 0.00 54.13 52.14 1ura s LEU 89 Cb 0.00 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.34 1ura s LEU 89 CO 0.00 0.04 0.79 0.21 0.23 0.00 0.00 176.35 177.62 1ura s ASN 90 N -2.04 6.97 0.20 2.29 3.84 0.75 -3.89 114.94 123.06 1ura s ASN 90 Ca 0.08 1.19 -0.11 0.00 0.21 0.00 0.00 52.86 54.23 1ura s ASN 90 Cb -0.09 -2.44 0.24 0.00 -0.55 0.00 0.00 41.25 38.41 1ura s ASN 90 CO 0.05 -0.30 1.74 0.50 -2.79 0.00 0.00 177.10 176.30 1ura h LYS 91 N 7.15 0.37 0.34 0.43 3.64 -1.94 0.19 116.57 126.76 1ura h LYS 91 Ca -0.33 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 1ura h LYS 91 Cb 1.16 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1ura h LYS 91 CO 0.80 0.25 -0.17 0.87 -2.27 0.00 0.00 179.45 178.93 1ura h LYS 92 N 0.38 -0.45 0.03 1.90 1.79 -1.94 -3.37 116.57 114.92 1ura h LYS 92 Ca 0.29 0.03 -0.23 0.00 -2.18 0.00 0.00 60.65 58.56 1ura h LYS 92 Cb 0.34 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1ura h LYS 92 CO -0.29 -0.19 -0.99 1.79 -1.08 0.00 0.00 179.45 178.69 1ura h THR 93 N -1.05 1.47 0.00 -0.16 1.35 -1.99 -3.47 112.91 109.06 1ura h THR 93 Ca -0.05 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.12 1ura h THR 93 Cb 0.46 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 1ura h THR 93 CO 0.08 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.75 1ura n GLY 94 N 1.07 1.11 3.86 5.82 0.00 0.65 -5.01 105.19 112.69 1ura n GLY 94 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1ura n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ura s LYS 95 N -0.43 2.85 0.46 1.61 1.02 -1.26 -4.61 119.74 119.39 1ura s LYS 95 Ca 0.00 0.60 -0.24 0.00 0.02 0.00 0.00 55.97 56.35 1ura s LYS 95 Cb 0.00 -2.01 -0.07 0.00 -0.52 0.00 0.00 37.83 35.23 1ura s LYS 95 CO 0.00 -1.07 1.29 -2.14 -0.92 0.00 0.00 175.35 172.51 1ura s PRO 96 N -5.25 3.64 -0.32 -1.68 0.02 -1.26 -0.18 135.00 129.97 1ura s PRO 96 Ca 0.58 2.10 0.02 0.00 0.02 0.00 0.00 61.00 63.71 1ura s PRO 96 Cb -0.12 -2.51 0.08 0.00 0.02 0.00 0.00 34.50 31.98 1ura s PRO 96 CO 0.53 -0.74 0.02 0.34 -0.33 0.00 0.00 177.00 176.82 1ura s ASP 97 N -0.95 4.77 0.58 2.53 -1.08 0.09 -4.64 116.67 117.97 1ura s ASP 97 Ca 0.63 -1.76 0.28 0.00 -0.52 0.00 0.00 52.55 51.18 1ura s ASP 97 Cb -0.37 -1.65 1.62 0.00 -1.46 0.00 0.00 42.92 41.06 1ura s ASP 97 CO 0.45 -0.33 2.08 1.88 0.52 0.00 0.00 175.17 179.77 1ura h TYR 98 N 7.79 0.00 -3.74 -5.34 0.05 -1.95 0.18 116.97 113.97 1ura h TYR 98 Ca -0.13 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 57.98 1ura h TYR 98 Cb 1.04 0.00 -0.35 0.00 1.01 0.00 0.00 36.73 38.43 1ura h TYR 98 CO 0.55 0.00 -0.76 0.08 -1.05 0.00 0.00 178.16 176.98 1ura s VAL 99 N -4.66 2.52 0.64 -2.88 1.01 -1.26 -4.41 120.40 111.37 1ura s VAL 99 Ca -0.05 -1.43 -0.04 0.00 0.00 0.00 0.00 61.98 60.47 1ura s VAL 99 Cb 0.15 -2.42 0.05 0.00 0.00 0.00 0.00 36.38 34.16 1ura s VAL 99 CO 0.56 0.01 0.92 0.28 0.00 0.00 0.00 175.10 176.87 1ura s THR 100 N 1.19 2.50 0.36 3.92 -1.32 -1.26 -4.82 115.64 116.21 1ura s THR 100 Ca -0.06 -0.40 0.02 0.00 -1.21 0.00 0.00 61.69 60.04 1ura s THR 100 Cb -0.19 -3.03 0.02 0.00 -1.51 0.00 0.00 72.50 67.79 1ura s THR 100 CO -0.04 -0.03 0.14 -0.90 -2.21 0.00 0.00 174.62 171.58 1ura n ASP 101 N -2.69 2.59 -0.16 8.08 5.75 -1.26 -4.93 116.55 123.92 1ura n ASP 101 Ca 0.08 -2.41 -0.08 0.00 -0.01 0.00 0.00 54.79 52.37 1ura n ASP 101 Cb 0.60 0.11 0.07 0.00 -1.03 0.00 0.00 41.12 40.87 1ura n ASP 101 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1ura h SER 102 N 0.64 0.93 0.70 -1.12 0.02 -1.99 -2.97 113.55 109.76 1ura h SER 102 Ca -0.26 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.39 1ura h SER 102 Cb 0.87 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1ura h SER 102 CO 0.43 1.01 -0.48 0.00 -1.14 0.00 0.00 176.83 176.64 1ura h ALA 103 N 1.08 -1.20 -0.66 3.77 0.00 -1.88 -0.12 119.26 120.25 1ura h ALA 103 Ca 0.15 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ura h ALA 103 Cb 0.57 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1ura h ALA 103 CO 0.03 -1.20 0.40 0.00 0.00 0.00 0.00 179.25 178.49 1ura h ALA 104 N -1.01 0.87 -0.41 0.00 0.00 -1.62 -1.28 119.26 115.81 1ura h ALA 104 Ca -0.09 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1ura h ALA 104 Cb 0.92 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1ura h ALA 104 CO 0.06 0.15 -0.16 0.66 0.00 0.00 0.00 179.25 179.95 1ura h SER 105 N 0.78 0.85 -0.58 0.00 4.64 -1.48 -1.73 113.55 116.03 1ura h SER 105 Ca 0.27 -0.39 -0.05 0.00 -0.47 0.00 0.00 61.79 61.15 1ura h SER 105 Cb 0.06 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 1ura h SER 105 CO -0.12 1.05 0.17 0.00 -0.87 0.00 0.00 176.83 177.05 1ura h ALA 106 N 0.83 0.77 -0.87 5.18 0.00 -0.78 -2.10 119.26 122.28 1ura h ALA 106 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ura h ALA 106 Cb 0.71 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1ura h ALA 106 CO 0.05 0.45 0.56 1.15 0.00 0.00 0.00 179.25 181.46 1ura h THR 107 N 0.83 1.23 -0.07 0.00 2.02 -1.14 -0.41 112.91 115.37 1ura h THR 107 Ca 0.19 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 66.94 1ura h THR 107 Cb 0.31 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1ura h THR 107 CO -0.00 0.23 -0.01 0.00 0.37 0.00 0.00 175.52 176.11 1ura h ALA 108 N 1.43 0.06 0.00 6.16 0.00 -0.64 0.94 119.26 127.21 1ura h ALA 108 Ca 0.32 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 1ura h ALA 108 Cb -0.11 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ura h ALA 108 CO -0.07 -0.48 -0.48 0.11 0.00 0.00 0.00 179.25 178.34 1ura h TRP 109 N 0.02 0.00 0.00 0.00 0.09 -1.19 -0.42 115.95 114.44 1ura h TRP 109 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 59.00 1ura h TRP 109 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.28 1ura h TRP 109 CO -0.12 0.35 -0.70 0.66 0.09 0.00 0.00 178.44 178.72 1ura h SER 110 N 0.00 0.00 0.00 0.11 4.64 -0.88 -3.27 113.55 114.15 1ura h SER 110 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ura h SER 110 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1ura h SER 110 CO 0.04 0.06 -0.85 0.35 -0.87 0.00 0.00 176.83 175.56 1ura n THR 111 N -2.84 0.00 -0.53 2.95 -2.24 0.31 0.18 114.28 112.11 1ura n THR 111 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1ura n THR 111 Cb 0.57 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1ura n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ura n GLY 112 N 2.41 0.73 3.12 3.38 0.00 -0.17 -4.94 105.19 109.72 1ura n GLY 112 Ca 0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1ura n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ura s VAL 113 N -2.00 1.31 0.67 1.61 0.11 -1.25 -4.92 120.40 115.93 1ura s VAL 113 Ca 0.00 -0.67 -0.14 0.00 -2.93 0.00 0.00 61.98 58.24 1ura s VAL 113 Cb 0.00 -1.12 0.01 0.00 -1.53 0.00 0.00 36.38 33.74 1ura s VAL 113 CO 0.00 0.38 1.10 -0.54 -3.33 0.00 0.00 175.10 172.71 1ura s LYS 114 N -0.06 2.74 0.38 1.54 -0.14 -1.26 -3.84 119.74 119.11 1ura s LYS 114 Ca -0.01 1.33 -0.09 0.00 -1.36 0.00 0.00 55.97 55.84 1ura s LYS 114 Cb -0.10 -1.95 0.04 0.00 -1.68 0.00 0.00 37.83 34.14 1ura s LYS 114 CO 0.01 -1.28 0.65 -2.37 -0.76 0.00 0.00 175.35 171.60 1ura n THR 115 N -2.60 0.00 -2.77 2.17 5.66 -1.26 -4.50 114.28 110.99 1ura n THR 115 Ca 0.10 -1.37 -0.31 0.00 -3.05 0.00 0.00 64.05 59.42 1ura n THR 115 Cb 0.52 1.05 -0.03 0.00 -1.55 0.00 0.00 70.33 70.32 1ura n THR 115 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1ura s TYR 116 N -2.53 3.47 0.21 1.09 1.13 -1.25 -0.96 117.35 118.52 1ura s TYR 116 Ca 0.22 1.13 -0.32 0.00 -1.41 0.00 0.00 57.07 56.69 1ura s TYR 116 Cb -0.03 -2.51 -0.13 0.00 -1.10 0.00 0.00 41.96 38.19 1ura s TYR 116 CO 0.16 -0.16 1.61 0.09 -2.51 0.00 0.00 175.55 174.74 1ura n ASN 117 N -1.35 3.50 0.00 -0.18 3.02 -1.26 -2.09 115.26 116.90 1ura n ASN 117 Ca 0.03 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.68 1ura n ASN 117 Cb 0.54 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.20 1ura n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ura n GLY 118 N 3.17 2.04 3.82 7.41 0.00 -1.26 -4.94 105.19 115.42 1ura n GLY 118 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1ura n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ura s ALA 119 N -2.58 3.28 -0.16 4.61 0.00 -0.89 -0.14 121.76 125.88 1ura s ALA 119 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.22 1ura s ALA 119 Cb 0.00 -2.95 0.04 0.00 0.00 0.00 0.00 23.12 20.21 1ura s ALA 119 CO 0.00 0.26 -0.05 -0.51 0.00 0.00 0.00 175.76 175.46 1ura s LEU 120 N -2.44 1.50 -0.71 0.00 1.43 -0.87 -3.46 118.68 114.13 1ura s LEU 120 Ca 0.51 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1ura s LEU 120 Cb -0.14 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.22 1ura s LEU 120 CO 0.19 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1ura n GLY 121 N 4.91 0.74 3.18 -3.19 0.00 -1.25 -1.19 105.19 108.38 1ura n GLY 121 Ca -0.11 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 1ura n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ura s VAL 122 N -1.79 1.01 0.00 1.61 -7.23 -1.26 -2.00 120.40 110.73 1ura s VAL 122 Ca 0.00 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1ura s VAL 122 Cb 0.00 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.65 1ura s VAL 122 CO 0.00 -0.47 0.00 -0.90 -0.31 0.00 0.00 175.10 173.42 1ura n ASP 123 N 0.74 0.00 0.05 4.85 5.68 -0.61 -4.78 116.55 122.48 1ura n ASP 123 Ca -0.17 -0.80 0.09 0.00 -0.50 0.00 0.00 54.79 53.41 1ura n ASP 123 Cb 0.57 0.00 0.38 0.00 -1.14 0.00 0.00 41.12 40.93 1ura n ASP 123 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1ura n ILE 124 N -1.15 0.96 -0.28 2.12 -5.35 -1.26 -1.13 119.36 113.26 1ura n ILE 124 Ca 0.00 0.26 0.12 0.00 -0.27 0.00 0.00 62.75 62.85 1ura n ILE 124 Cb 0.00 -1.09 0.32 0.00 -1.74 0.00 0.00 39.64 37.13 1ura n ILE 124 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1ura n HIS 125 N -1.81 0.95 -1.68 4.28 8.25 -1.26 -4.92 115.22 119.03 1ura n HIS 125 Ca 0.03 -0.47 -0.17 0.00 -0.26 0.00 0.00 57.72 56.84 1ura n HIS 125 Cb 0.19 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.24 1ura n HIS 125 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1ura n GLU 126 N 1.61 -1.24 -3.07 -0.41 1.02 -0.28 -4.97 120.64 113.31 1ura n GLU 126 Ca 0.24 1.05 -0.39 0.00 -0.02 0.00 0.00 57.16 58.03 1ura n GLU 126 Cb 0.61 -5.33 -0.05 0.00 -0.02 0.00 0.00 31.44 26.65 1ura n GLU 126 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1ura s LYS 127 N -3.76 4.43 0.58 3.49 2.20 -1.26 -4.76 119.74 120.66 1ura s LYS 127 Ca 0.00 0.96 -0.17 0.00 -0.36 0.00 0.00 55.97 56.39 1ura s LYS 127 Cb 0.00 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 1ura s LYS 127 CO 0.00 0.36 1.10 -0.51 -0.36 0.00 0.00 175.35 175.94 1ura s ASP 128 N -0.27 5.61 -0.04 1.43 1.01 -1.26 -1.57 116.67 121.57 1ura s ASP 128 Ca 0.35 2.02 -0.01 0.00 0.71 0.00 0.00 52.55 55.62 1ura s ASP 128 Cb -0.20 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.20 1ura s ASP 128 CO 0.21 -1.29 0.07 -1.00 0.21 0.00 0.00 175.17 173.38 1ura s HIS 129 N -2.11 -0.05 0.38 4.23 3.76 -0.85 -4.91 115.29 115.73 1ura s HIS 129 Ca 0.68 0.27 -0.28 0.00 -0.15 0.00 0.00 55.06 55.58 1ura s HIS 129 Cb -0.20 -0.18 -0.11 0.00 1.11 0.00 0.00 32.58 33.20 1ura s HIS 129 CO 0.33 -0.12 1.44 -0.35 -0.85 0.00 0.00 174.74 175.19 1ura n PRO 130 N 4.18 2.53 -3.03 8.40 -0.04 -1.26 -4.83 135.00 140.95 1ura n PRO 130 Ca -0.27 0.89 -0.24 0.00 -0.04 0.00 0.00 63.50 63.84 1ura n PRO 130 Cb 0.51 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1ura n PRO 130 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ura s THR 131 N -1.12 4.44 0.40 0.52 -4.23 -1.26 -4.52 115.64 109.87 1ura s THR 131 Ca 0.54 -0.37 0.08 0.00 -1.18 0.00 0.00 61.69 60.76 1ura s THR 131 Cb -0.49 -3.65 0.30 0.00 1.34 0.00 0.00 72.50 70.00 1ura s THR 131 CO 0.63 -0.48 1.99 -0.29 -0.54 0.00 0.00 174.62 175.94 1ura h ILE 132 N 0.45 1.01 -0.08 2.99 6.09 -0.60 -0.41 117.51 126.97 1ura h ILE 132 Ca -0.47 -0.21 -0.02 0.00 -1.37 0.00 0.00 64.86 62.79 1ura h ILE 132 Cb 1.24 0.35 -0.00 0.00 0.47 0.00 0.00 36.82 38.87 1ura h ILE 132 CO 0.59 0.11 -0.01 0.25 -3.07 0.00 0.00 178.15 176.02 1ura h LEU 133 N 0.60 0.15 -1.16 2.19 6.46 -1.84 0.10 115.31 121.81 1ura h LEU 133 Ca 0.26 -0.34 0.01 0.00 -0.12 0.00 0.00 57.88 57.69 1ura h LEU 133 Cb 0.25 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.10 1ura h LEU 133 CO -0.08 0.45 0.57 -0.33 -0.62 0.00 0.00 178.44 178.44 1ura h GLU 134 N -0.17 1.12 -0.43 1.25 5.08 -1.55 0.41 114.58 120.29 1ura h GLU 134 Ca 0.02 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 1ura h GLU 134 Cb 0.38 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1ura h GLU 134 CO 0.01 0.74 -0.30 0.52 -1.00 0.00 0.00 179.01 178.98 1ura h MET 135 N 1.15 0.97 -0.41 2.33 2.86 -0.87 -0.31 114.93 120.66 1ura h MET 135 Ca 0.32 -0.46 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 1ura h MET 135 Cb -0.12 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 1ura h MET 135 CO -0.07 1.13 0.14 0.00 1.06 0.00 0.00 176.91 179.16 1ura h ALA 136 N 0.82 0.53 -0.18 6.32 0.00 -0.03 -2.03 119.26 124.69 1ura h ALA 136 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ura h ALA 136 Cb 0.89 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1ura h ALA 136 CO 0.08 0.17 0.12 -0.22 0.00 0.00 0.00 179.25 179.40 1ura h LYS 137 N 0.51 0.24 -0.73 0.00 3.64 -0.79 -1.14 116.57 118.31 1ura h LYS 137 Ca 0.13 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.60 1ura h LYS 137 Cb 0.24 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 1ura h LYS 137 CO -0.01 0.16 0.48 0.00 -2.27 0.00 0.00 179.45 177.82 1ura h ALA 138 N 1.06 1.88 -0.00 5.00 0.00 -0.80 0.11 119.26 126.51 1ura h ALA 138 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ura h ALA 138 Cb -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ura h ALA 138 CO -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 179.25 179.19 1ura n ALA 139 N -2.48 2.66 -0.32 0.00 0.00 -0.79 -4.90 120.51 114.68 1ura n ALA 139 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1ura n ALA 139 Cb 0.36 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1ura n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ura n GLY 140 N 1.09 0.69 3.83 0.00 0.00 0.37 -5.07 105.19 106.11 1ura n GLY 140 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1ura n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ura s LEU 141 N 0.00 3.78 0.62 0.99 1.43 -0.49 -4.83 118.68 120.18 1ura s LEU 141 Ca 0.00 1.66 -0.14 0.00 -1.03 0.00 0.00 54.13 54.62 1ura s LEU 141 Cb 0.00 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 1ura s LEU 141 CO 0.00 -0.53 1.05 0.00 0.23 0.00 0.00 176.35 177.10 1ura s ALA 142 N -2.37 2.76 -0.00 4.21 0.00 -0.10 -4.15 121.76 122.12 1ura s ALA 142 Ca 0.61 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1ura s ALA 142 Cb -0.10 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1ura s ALA 142 CO 0.22 -0.88 -0.00 0.95 0.00 0.00 0.00 175.76 176.06 1ura s THR 143 N -2.67 0.01 -0.01 0.00 -4.23 -1.26 -1.25 115.64 106.23 1ura s THR 143 Ca 0.61 -0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.14 1ura s THR 143 Cb -0.15 -0.02 -0.00 0.00 1.34 0.00 0.00 72.50 73.67 1ura s THR 143 CO 0.42 0.00 -0.06 -0.83 -0.54 0.00 0.00 174.62 173.61 1ura s GLY 144 N 0.01 0.34 -0.20 3.99 0.00 0.22 -1.35 107.32 110.33 1ura s GLY 144 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 44.72 44.46 1ura s GLY 144 CO -0.00 -0.15 -0.02 0.21 0.00 0.00 0.00 173.10 173.14 1ura s ASN 145 N -0.01 3.16 -0.03 1.64 2.47 0.50 -1.48 114.94 121.18 1ura s ASN 145 Ca 0.01 -0.87 0.04 0.00 0.42 0.00 0.00 52.86 52.46 1ura s ASN 145 Cb -0.04 -0.88 -0.01 0.00 -1.45 0.00 0.00 41.25 38.87 1ura s ASN 145 CO -0.00 -0.24 -0.16 -0.69 -3.72 0.00 0.00 177.10 172.28 1ura s VAL 146 N 1.64 1.32 0.07 -5.21 1.01 0.21 -1.29 120.40 118.14 1ura s VAL 146 Ca -0.02 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.05 1ura s VAL 146 Cb -0.17 -1.12 0.06 0.00 0.00 0.00 0.00 36.38 35.15 1ura s VAL 146 CO -0.07 0.38 0.56 -0.55 0.00 0.00 0.00 175.10 175.41 1ura s SER 147 N -0.13 -0.49 0.00 3.32 0.15 -0.54 -0.43 113.70 115.58 1ura s SER 147 Ca 0.01 0.17 0.25 0.00 0.70 0.00 0.00 55.95 57.08 1ura s SER 147 Cb -0.09 0.53 0.48 0.00 -1.71 0.00 0.00 66.02 65.23 1ura s SER 147 CO 0.01 -0.78 1.39 0.35 1.20 0.00 0.00 173.24 175.41 1ura n THR 148 N 0.22 0.00 -2.57 6.45 -2.24 -1.06 -3.90 114.28 111.18 1ura n THR 148 Ca -0.18 -0.11 -0.18 0.00 -2.27 0.00 0.00 64.05 61.31 1ura n THR 148 Cb 0.61 0.57 0.09 0.00 -2.10 0.00 0.00 70.33 69.51 1ura n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ura n ALA 149 N -0.80 0.21 -1.81 6.98 0.00 -1.26 -1.04 120.51 122.79 1ura n ALA 149 Ca 0.10 -1.56 -0.41 0.00 0.00 0.00 0.00 53.44 51.57 1ura n ALA 149 Cb 0.37 0.27 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 1ura n ALA 149 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ura s GLU 150 N -4.51 4.33 0.47 0.00 2.02 -1.26 -1.21 118.70 118.54 1ura s GLU 150 Ca 0.52 2.24 0.31 0.00 0.02 0.00 0.00 54.97 58.06 1ura s GLU 150 Cb -0.03 -3.08 1.68 0.00 0.10 0.00 0.00 34.13 32.80 1ura s GLU 150 CO 0.35 -0.26 1.94 -0.07 0.02 0.00 0.00 175.26 177.24 1ura h LEU 151 N 3.84 0.00 -0.14 1.80 -0.00 -1.41 0.61 115.31 120.02 1ura h LEU 151 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 1ura h LEU 151 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1ura h LEU 151 CO 0.69 0.00 -0.20 0.00 -0.00 0.00 0.00 178.44 178.92 1ura n GLN 152 N -2.60 0.36 -1.37 1.13 3.00 -1.26 -3.81 117.38 112.82 1ura n GLN 152 Ca -0.02 -0.14 -0.33 0.00 -0.01 0.00 0.00 57.00 56.50 1ura n GLN 152 Cb 0.07 -1.50 0.09 0.00 0.00 0.00 0.00 30.24 28.91 1ura n GLN 152 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1ura s ASP 153 N -2.74 4.28 0.16 1.08 -1.08 0.21 -4.74 116.67 113.84 1ura s ASP 153 Ca 0.20 2.14 -0.28 0.00 -0.52 0.00 0.00 52.55 54.10 1ura s ASP 153 Cb 0.19 -2.56 -0.01 0.00 -1.46 0.00 0.00 42.92 39.08 1ura s ASP 153 CO 0.55 -2.19 1.56 0.00 0.52 0.00 0.00 175.17 175.61 1ura h ALA 154 N -0.61 -0.47 0.01 3.66 0.00 -1.89 -1.34 119.26 118.63 1ura h ALA 154 Ca -0.46 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1ura h ALA 154 Cb 1.27 1.05 -0.05 0.00 0.00 0.00 0.00 17.79 20.05 1ura h ALA 154 CO 0.50 -0.90 -0.42 1.15 0.00 0.00 0.00 179.25 179.58 1ura h THR 155 N -0.25 0.15 0.00 0.00 2.02 -1.92 0.94 112.91 113.84 1ura h THR 155 Ca 0.15 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.20 1ura h THR 155 Cb 0.56 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1ura h THR 155 CO -0.69 0.00 -0.63 1.55 0.37 0.00 0.00 175.52 176.12 1ura h PRO 156 N -0.58 0.00 -0.53 6.66 0.13 -1.83 -3.29 132.00 132.56 1ura h PRO 156 Ca 0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.12 1ura h PRO 156 Cb 0.65 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 1ura h PRO 156 CO -0.31 0.63 0.13 0.00 -0.23 0.00 0.00 178.00 178.22 1ura h ALA 157 N 1.37 0.70 -0.28 -0.56 0.00 -0.76 -2.98 119.26 116.76 1ura h ALA 157 Ca -0.01 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.77 1ura h ALA 157 Cb 1.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1ura h ALA 157 CO 0.08 0.40 0.42 0.00 0.00 0.00 0.00 179.25 180.15 1ura h ALA 158 N 1.01 1.87 0.00 0.00 0.00 -0.89 0.24 119.26 121.49 1ura h ALA 158 Ca 0.17 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1ura h ALA 158 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ura h ALA 158 CO 0.00 -0.56 -0.42 -0.07 0.00 0.00 0.00 179.25 178.20 1ura h LEU 159 N 0.00 0.00 -0.17 0.00 3.38 -1.69 -3.39 115.31 113.44 1ura h LEU 159 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ura h LEU 159 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1ura h LEU 159 CO -0.00 0.42 0.00 1.33 0.09 0.00 0.00 178.44 180.28 1ura n VAL 160 N -3.26 0.00 -4.39 1.22 0.24 -0.17 -4.39 118.33 107.57 1ura n VAL 160 Ca 0.02 -0.32 -0.27 0.00 -2.04 0.00 0.00 64.34 61.73 1ura n VAL 160 Cb 0.66 1.10 -0.12 0.00 -1.47 0.00 0.00 33.84 34.01 1ura n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ura s ALA 161 N -0.47 2.37 -0.36 2.33 0.00 0.66 -4.32 121.76 121.97 1ura s ALA 161 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1ura s ALA 161 Cb 0.00 -0.32 0.12 0.00 0.00 0.00 0.00 23.12 22.92 1ura s ALA 161 CO 0.00 0.43 0.17 -1.01 0.00 0.00 0.00 175.76 175.35 1ura s HIS 162 N -1.50 1.51 0.07 0.00 3.76 -1.26 -3.88 115.29 113.99 1ura s HIS 162 Ca 0.17 -1.88 0.03 0.00 -0.15 0.00 0.00 55.06 53.23 1ura s HIS 162 Cb -0.08 -1.57 -0.03 0.00 1.11 0.00 0.00 32.58 32.01 1ura s HIS 162 CO 0.08 -0.83 -0.08 0.14 -0.85 0.00 0.00 174.74 173.19 1ura s VAL 163 N 1.14 0.69 -0.89 -0.90 -7.23 -0.33 -4.98 120.40 107.89 1ura s VAL 163 Ca 0.14 -1.37 0.21 0.00 -1.81 0.00 0.00 61.98 59.14 1ura s VAL 163 Cb -0.21 -1.00 0.18 0.00 0.56 0.00 0.00 36.38 35.92 1ura s VAL 163 CO -0.13 -0.50 1.65 0.35 -0.31 0.00 0.00 175.10 176.16 1ura n THR 164 N 0.98 0.68 -3.70 5.32 -2.24 -1.26 -2.05 114.28 112.02 1ura n THR 164 Ca -0.19 0.14 -0.11 0.00 -2.27 0.00 0.00 64.05 61.62 1ura n THR 164 Cb 0.56 -0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 67.82 1ura n THR 164 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ura s SER 165 N -3.32 -0.50 0.59 3.42 0.15 -1.25 -4.41 113.70 108.38 1ura s SER 165 Ca 0.09 0.88 0.32 0.00 0.70 0.00 0.00 55.95 57.93 1ura s SER 165 Cb 0.12 0.78 1.85 0.00 -1.71 0.00 0.00 66.02 67.07 1ura s SER 165 CO 0.38 -0.18 2.25 0.08 1.20 0.00 0.00 173.24 176.96 1ura h ARG 166 N 6.80 0.00 0.00 5.44 0.11 -0.82 -2.23 114.38 123.68 1ura h ARG 166 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1ura h ARG 166 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1ura h ARG 166 CO 0.29 0.02 0.00 0.87 0.10 0.00 0.00 179.97 181.24 1ura h LYS 167 N 0.00 0.00 -3.44 0.08 1.57 -1.95 -3.38 116.57 109.46 1ura h LYS 167 Ca -0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 1ura h LYS 167 Cb 0.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.37 1ura h LYS 167 CO 0.00 0.00 3.44 0.00 -0.57 0.00 0.00 179.45 182.32 1ura h TYR 169 N 5.59 -0.61 -3.35 0.00 -1.99 -1.88 -2.57 116.97 112.16 1ura h TYR 169 Ca 0.72 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 61.42 1ura h TYR 169 Cb 0.40 0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.36 1ura h TYR 169 CO 1.73 -0.29 -0.03 0.41 -0.00 0.00 0.00 178.16 179.98 1ura n GLY 170 N -1.24 4.09 0.38 3.88 0.00 -1.26 -1.91 105.19 109.12 1ura n GLY 170 Ca -0.05 -2.01 -0.02 0.00 0.00 0.00 0.00 46.02 43.93 1ura n GLY 170 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ura h PRO 171 N 0.00 -0.05 0.27 1.61 0.11 -1.91 -1.54 132.00 130.50 1ura h PRO 171 Ca -0.02 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.10 1ura h PRO 171 Cb 0.08 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.16 1ura h PRO 171 CO 0.03 -0.03 -0.39 0.77 -0.21 0.00 0.00 178.00 178.18 1ura h SER 172 N -0.05 -1.09 -0.25 -2.05 0.02 -1.97 -1.91 113.55 106.25 1ura h SER 172 Ca 0.31 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 61.30 1ura h SER 172 Cb 0.58 0.39 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 1ura h SER 172 CO -0.90 -0.50 -0.05 0.00 -1.14 0.00 0.00 176.83 174.23 1ura h ALA 173 N -0.26 1.22 -0.45 3.77 0.00 -1.81 -3.11 119.26 118.62 1ura h ALA 173 Ca -0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1ura h ALA 173 Cb 0.68 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1ura h ALA 173 CO -0.14 0.51 0.09 1.15 0.00 0.00 0.00 179.25 180.86 1ura h THR 174 N 0.57 1.24 -0.61 0.00 2.02 -1.00 0.29 112.91 115.42 1ura h THR 174 Ca 0.11 -0.86 0.05 0.00 0.77 0.00 0.00 66.41 66.48 1ura h THR 174 Cb 0.44 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 1ura h THR 174 CO 0.02 0.30 0.40 0.28 0.37 0.00 0.00 175.52 176.90 1ura h SER 175 N 0.61 0.56 0.00 4.18 0.02 -1.28 0.40 113.55 118.03 1ura h SER 175 Ca 0.14 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1ura h SER 175 Cb 0.36 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1ura h SER 175 CO 0.01 0.38 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.40 1ura h GLU 176 N 0.65 0.00 0.13 3.45 5.08 -1.47 -3.37 114.58 119.05 1ura h GLU 176 Ca 0.25 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.31 1ura h GLU 176 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ura h GLU 176 CO -0.07 0.45 -1.49 0.87 -1.00 0.00 0.00 179.01 177.77 1ura h LYS 177 N -1.00 0.28 -2.20 2.33 1.79 -0.38 -3.40 116.57 113.99 1ura h LYS 177 Ca -0.06 -0.48 -0.58 0.00 -2.18 0.00 0.00 60.65 57.34 1ura h LYS 177 Cb 0.62 0.18 -0.42 0.00 -1.58 0.00 0.00 32.23 31.03 1ura h LYS 177 CO -0.04 1.17 -0.70 0.00 -1.08 0.00 0.00 179.45 178.80 1ura h PRO 179 N 3.64 0.44 0.00 0.00 0.11 -1.68 0.11 132.00 134.63 1ura h PRO 179 Ca 0.16 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 1ura h PRO 179 Cb 0.64 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 1ura h PRO 179 CO 0.78 0.29 -0.02 0.78 -0.21 0.00 0.00 178.00 179.62 1ura h GLY 180 N 0.46 0.00 0.33 -0.55 0.00 -1.92 -2.21 103.07 99.18 1ura h GLY 180 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1ura h GLY 180 CO -0.43 0.00 -1.46 0.70 0.00 0.00 0.00 176.54 175.35 1ura n ASN 181 N -3.17 0.42 -4.67 0.19 5.03 0.27 -4.03 115.26 109.29 1ura n ASN 181 Ca -0.01 -0.10 -0.46 0.00 0.87 0.00 0.00 54.58 54.88 1ura n ASN 181 Cb 0.21 1.30 -0.04 0.00 -1.02 0.00 0.00 39.78 40.23 1ura n ASN 181 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ura n ALA 182 N -2.05 1.41 -0.11 5.41 0.00 -0.54 0.06 120.51 124.70 1ura n ALA 182 Ca -0.01 0.44 -0.06 0.00 0.00 0.00 0.00 53.44 53.81 1ura n ALA 182 Cb 0.51 -2.37 0.02 0.00 0.00 0.00 0.00 19.45 17.61 1ura n ALA 182 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ura h LEU 183 N 6.12 0.13 0.00 0.00 5.85 -1.88 0.44 115.31 125.97 1ura h LEU 183 Ca -0.45 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1ura h LEU 183 Cb 1.25 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1ura h LEU 183 CO 0.89 0.11 0.00 -1.84 -0.34 0.00 0.00 178.44 177.27 1ura n GLU 184 N -5.02 0.20 -0.21 1.25 0.00 -1.26 -0.97 120.64 114.63 1ura n GLU 184 Ca 0.01 0.15 0.08 0.00 0.00 0.00 0.00 57.16 57.40 1ura n GLU 184 Cb 0.13 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.24 1ura n GLU 184 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ura n LYS 185 N -1.23 2.20 -0.74 3.44 5.02 -0.50 -4.97 118.16 121.38 1ura n LYS 185 Ca 0.06 -2.52 0.00 0.00 -2.02 0.00 0.00 58.31 53.83 1ura n LYS 185 Cb 0.08 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1ura n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ura n GLY 186 N -0.84 0.77 3.95 0.72 0.00 -0.14 -4.91 105.19 104.73 1ura n GLY 186 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1ura n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ura s GLY 187 N -1.85 1.79 0.16 -0.02 0.00 0.03 -4.96 107.32 102.47 1ura s GLY 187 Ca 0.00 -1.36 0.23 0.00 0.00 0.00 0.00 44.72 43.59 1ura s GLY 187 CO 0.00 -0.60 1.72 0.28 0.00 0.00 0.00 173.10 174.50 1ura n LYS 188 N -3.64 0.15 0.00 2.90 5.02 -1.14 -4.20 118.16 117.25 1ura n LYS 188 Ca 0.16 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1ura n LYS 188 Cb 0.59 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1ura n LYS 188 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ura n GLY 189 N 0.60 0.85 3.82 0.72 0.00 0.11 -4.54 105.19 106.75 1ura n GLY 189 Ca 0.04 -2.22 -0.30 0.00 0.00 0.00 0.00 46.02 43.55 1ura n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ura s SER 190 N 0.00 2.80 0.18 1.61 1.04 -1.26 -4.67 113.70 113.40 1ura s SER 190 Ca 0.00 0.55 -0.14 0.00 0.48 0.00 0.00 55.95 56.84 1ura s SER 190 Cb 0.00 -0.80 0.14 0.00 0.10 0.00 0.00 66.02 65.46 1ura s SER 190 CO 0.00 -2.95 1.74 0.40 0.98 0.00 0.00 173.24 173.41 1ura h ILE 191 N -1.78 0.82 -0.55 -1.02 2.04 -1.32 0.10 117.51 115.80 1ura h ILE 191 Ca -0.46 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 1ura h ILE 191 Cb 1.28 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1ura h ILE 191 CO 0.45 0.05 0.19 0.74 0.00 0.00 0.00 178.15 179.58 1ura h THR 192 N 0.29 1.23 -0.51 -0.27 2.02 -1.65 0.18 112.91 114.21 1ura h THR 192 Ca 0.22 -0.76 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 1ura h THR 192 Cb 0.24 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1ura h THR 192 CO -0.24 0.29 0.03 -0.33 0.37 0.00 0.00 175.52 175.63 1ura h GLU 193 N 0.76 0.88 -0.01 6.66 5.08 -1.70 -1.60 114.58 124.64 1ura h GLU 193 Ca 0.18 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1ura h GLU 193 Cb 0.25 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1ura h GLU 193 CO -0.01 0.90 -0.37 1.96 -1.00 0.00 0.00 179.01 180.49 1ura h GLN 194 N 0.75 0.02 -0.30 2.33 4.20 -0.60 -0.93 115.11 120.58 1ura h GLN 194 Ca 0.15 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 1ura h GLN 194 Cb 0.48 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1ura h GLN 194 CO 0.02 0.39 0.03 1.25 -0.67 0.00 0.00 178.83 179.85 1ura h LEU 195 N 0.02 0.50 -1.56 1.46 6.46 -0.53 0.16 115.31 121.81 1ura h LEU 195 Ca -0.00 -0.28 -0.04 0.00 -0.12 0.00 0.00 57.88 57.44 1ura h LEU 195 Cb 0.66 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 1ura h LEU 195 CO 0.05 0.66 -0.11 -0.07 -0.62 0.00 0.00 178.44 178.34 1ura h LEU 196 N 0.32 0.13 0.35 2.25 3.38 -0.82 -2.88 115.31 118.04 1ura h LEU 196 Ca 0.09 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ura h LEU 196 Cb 0.38 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1ura h LEU 196 CO 0.01 0.26 -0.49 0.78 0.09 0.00 0.00 178.44 179.10 1ura h ASN 197 N 0.14 -1.38 -0.28 -0.43 2.35 -0.51 -3.26 115.58 112.21 1ura h ASN 197 Ca 0.03 0.12 0.08 0.00 -0.55 0.00 0.00 56.30 55.98 1ura h ASN 197 Cb 0.29 0.48 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 1ura h ASN 197 CO 0.02 -0.59 0.26 0.00 -1.65 0.00 0.00 177.43 175.46 1ura h ALA 198 N -0.83 2.02 -6.51 -0.83 0.00 -0.50 -3.47 119.26 109.14 1ura h ALA 198 Ca -0.04 -0.01 -0.45 0.00 0.00 0.00 0.00 54.91 54.41 1ura h ALA 198 Cb 0.79 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.62 1ura h ALA 198 CO -0.13 -0.40 -0.91 -2.13 0.00 0.00 0.00 179.25 175.68 1ura n ARG 199 N -3.97 -1.09 -2.39 0.00 0.63 -1.12 -4.95 116.66 103.78 1ura n ARG 199 Ca 0.04 0.59 -0.35 0.00 -0.92 0.00 0.00 57.85 57.21 1ura n ARG 199 Cb 0.41 -3.21 -0.01 0.00 0.45 0.00 0.00 32.46 30.09 1ura n ARG 199 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ura s ALA 200 N -3.25 2.78 0.19 5.13 0.00 -1.26 -4.94 121.76 120.40 1ura s ALA 200 Ca 0.25 0.73 -0.10 0.00 0.00 0.00 0.00 51.96 52.84 1ura s ALA 200 Cb -0.11 -3.31 0.11 0.00 0.00 0.00 0.00 23.12 19.80 1ura s ALA 200 CO 0.89 -0.56 1.74 -0.44 0.00 0.00 0.00 175.76 177.39 1ura h ASP 201 N 1.38 0.94 -3.35 0.00 5.19 -1.73 -3.42 116.42 115.44 1ura h ASP 201 Ca -0.50 -0.18 -0.49 0.00 -0.62 0.00 0.00 57.03 55.24 1ura h ASP 201 Cb 1.24 -0.24 -0.35 0.00 0.18 0.00 0.00 39.33 40.16 1ura h ASP 201 CO 0.58 0.86 -0.80 -0.69 -3.12 0.00 0.00 179.24 176.07 1ura s VAL 202 N -5.53 0.94 -0.09 -1.35 1.01 -0.46 -0.32 120.40 114.59 1ura s VAL 202 Ca -0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 1ura s VAL 202 Cb 0.14 -0.91 0.04 0.00 0.00 0.00 0.00 36.38 35.64 1ura s VAL 202 CO 0.81 0.33 0.04 -0.89 0.00 0.00 0.00 175.10 175.39 1ura s THR 203 N 1.11 0.17 -0.02 3.92 2.01 -0.56 -0.37 115.64 121.89 1ura s THR 203 Ca -0.07 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.06 1ura s THR 203 Cb -0.14 -0.47 0.01 0.00 0.01 0.00 0.00 72.50 71.90 1ura s THR 203 CO -0.01 0.11 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.19 1ura s LEU 204 N 2.05 1.75 0.00 4.42 1.43 -0.41 -0.63 118.68 127.28 1ura s LEU 204 Ca 0.04 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1ura s LEU 204 Cb -0.13 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.62 1ura s LEU 204 CO -0.05 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1ura n GLY 205 N 3.35 -0.53 0.00 -3.19 0.00 -0.39 -1.47 105.19 102.95 1ura n GLY 205 Ca -0.18 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1ura n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ura n GLY 206 N 0.00 1.71 0.68 -0.02 0.00 -0.35 -1.15 105.19 106.05 1ura n GLY 206 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1ura n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ura n GLY 207 N 5.00 1.18 0.32 -0.02 0.00 -0.66 -1.09 105.19 109.92 1ura n GLY 207 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 1ura n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ura h ALA 208 N 0.00 1.31 -0.48 4.61 0.00 -0.67 -3.26 119.26 120.77 1ura h ALA 208 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1ura h ALA 208 Cb 0.20 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 17.65 1ura h ALA 208 CO 0.00 0.53 -0.56 -0.22 0.00 0.00 0.00 179.25 178.99 1ura h LYS 209 N 0.89 -0.34 -0.38 0.00 3.64 -1.66 -1.30 116.57 117.42 1ura h LYS 209 Ca 0.21 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.72 1ura h LYS 209 Cb 0.14 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1ura h LYS 209 CO -0.02 -0.23 0.27 1.15 -2.27 0.00 0.00 179.45 178.35 1ura h THR 210 N -0.35 0.82 0.00 1.00 2.02 -1.82 -0.52 112.91 114.06 1ura h THR 210 Ca 0.08 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1ura h THR 210 Cb 0.57 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1ura h THR 210 CO -0.64 0.01 0.00 0.49 0.37 0.00 0.00 175.52 175.75 1ura n PHE 211 N -4.43 0.21 0.83 3.16 3.01 -0.49 -1.37 117.46 118.37 1ura n PHE 211 Ca 0.06 0.10 0.14 0.00 1.01 0.00 0.00 57.45 58.75 1ura n PHE 211 Cb 0.44 -0.65 0.52 0.00 -0.01 0.00 0.00 39.48 39.77 1ura n PHE 211 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ura n ALA 212 N -1.57 2.32 -1.41 4.37 0.00 -0.20 -1.40 120.51 122.62 1ura n ALA 212 Ca 0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 1ura n ALA 212 Cb 0.08 -1.46 0.12 0.00 0.00 0.00 0.00 19.45 18.18 1ura n ALA 212 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ura s GLU 213 N -3.05 1.56 -0.04 0.00 2.02 -0.47 -4.75 118.70 113.98 1ura s GLU 213 Ca 0.12 0.64 0.05 0.00 0.02 0.00 0.00 54.97 55.80 1ura s GLU 213 Cb 0.16 -1.86 -0.02 0.00 0.10 0.00 0.00 34.13 32.51 1ura s GLU 213 CO 0.56 -1.98 -0.19 0.95 0.02 0.00 0.00 175.26 174.62 1ura s THR 214 N -3.09 2.62 0.26 3.63 -4.23 -1.26 -0.90 115.64 112.66 1ura s THR 214 Ca 0.62 -0.89 -0.30 0.00 -1.18 0.00 0.00 61.69 59.95 1ura s THR 214 Cb -0.16 -1.98 -0.10 0.00 1.34 0.00 0.00 72.50 71.60 1ura s THR 214 CO 0.55 0.59 1.42 0.00 -0.54 0.00 0.00 174.62 176.64 1ura s ALA 215 N -0.65 3.61 -0.99 3.99 0.00 -0.92 -4.82 121.76 121.97 1ura s ALA 215 Ca 0.10 1.31 0.27 0.00 0.00 0.00 0.00 51.96 53.65 1ura s ALA 215 Cb -0.10 -3.55 0.92 0.00 0.00 0.00 0.00 23.12 20.39 1ura s ALA 215 CO 0.00 -0.73 1.71 0.25 0.00 0.00 0.00 175.76 176.99 1ura n THR 216 N 2.18 0.01 -2.88 0.00 -2.24 -1.26 -1.61 114.28 108.48 1ura n THR 216 Ca 0.06 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1ura n THR 216 Cb 0.40 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1ura n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ura n ALA 217 N -1.51 0.00 -0.05 6.98 0.00 -1.26 -4.80 120.51 119.87 1ura n ALA 217 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1ura n ALA 217 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.79 1ura n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ura n GLY 218 N 0.00 -1.45 0.33 0.00 0.00 -1.26 -3.17 105.19 99.64 1ura n GLY 218 Ca 0.00 -1.52 0.16 0.00 0.00 0.00 0.00 46.02 44.66 1ura n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ura h GLU 219 N -0.05 0.00 -0.56 1.61 4.81 -2.02 -1.74 114.58 116.63 1ura h GLU 219 Ca 0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 1ura h GLU 219 Cb 0.05 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.25 1ura h GLU 219 CO 0.00 0.00 0.09 0.91 -0.73 0.00 0.00 179.01 179.28 1ura n TRP 220 N -4.04 1.75 -1.73 0.92 8.01 -1.26 -5.04 117.44 116.06 1ura n TRP 220 Ca 0.02 -1.80 -0.40 0.00 -1.31 0.00 0.00 57.50 54.01 1ura n TRP 220 Cb 0.33 -0.65 0.02 0.00 -2.01 0.00 0.00 31.31 29.00 1ura n TRP 220 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 1ura n GLN 221 N -1.10 2.03 0.00 -0.99 7.27 -0.66 -2.33 117.38 121.61 1ura n GLN 221 Ca 0.42 0.73 0.00 0.00 0.07 0.00 0.00 57.00 58.21 1ura n GLN 221 Cb 1.15 -2.49 0.00 0.00 2.41 0.00 0.00 30.24 31.31 1ura n GLN 221 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ura n GLY 222 N 0.72 2.87 3.89 1.69 0.00 -0.64 -4.94 105.19 108.79 1ura n GLY 222 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1ura n GLY 222 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ura s LYS 223 N -0.09 3.63 0.56 1.61 -0.14 -0.98 -4.80 119.74 119.52 1ura s LYS 223 Ca 0.00 0.33 -0.15 0.00 -1.36 0.00 0.00 55.97 54.79 1ura s LYS 223 Cb 0.00 -2.36 -0.06 0.00 -1.68 0.00 0.00 37.83 33.73 1ura s LYS 223 CO 0.00 -0.17 1.01 0.95 -0.76 0.00 0.00 175.35 176.38 1ura s THR 224 N -2.63 4.41 0.55 2.17 -4.23 -1.26 -2.17 115.64 112.48 1ura s THR 224 Ca 0.49 1.07 0.33 0.00 -1.18 0.00 0.00 61.69 62.40 1ura s THR 224 Cb -0.10 -3.67 0.37 0.00 1.34 0.00 0.00 72.50 70.43 1ura s THR 224 CO 0.40 -0.74 2.24 -0.07 -0.54 0.00 0.00 174.62 175.91 1ura h LEU 225 N 0.54 0.00 0.26 4.79 3.38 -0.72 -0.68 115.31 122.88 1ura h LEU 225 Ca -0.46 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1ura h LEU 225 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1ura h LEU 225 CO 0.61 0.03 -0.12 -0.09 0.09 0.00 0.00 178.44 178.95 1ura h ARG 226 N 0.00 -0.34 -0.71 1.13 9.65 -1.49 -1.46 114.38 121.16 1ura h ARG 226 Ca -0.00 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 1ura h ARG 226 Cb 0.09 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.71 1ura h ARG 226 CO 0.00 -0.04 0.45 0.93 2.80 0.00 0.00 179.97 184.11 1ura h GLU 227 N -0.62 0.86 -0.30 0.20 5.08 -1.53 -2.22 114.58 116.04 1ura h GLU 227 Ca -0.04 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1ura h GLU 227 Cb 0.45 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1ura h GLU 227 CO 0.06 0.57 0.02 0.37 -1.00 0.00 0.00 179.01 179.03 1ura h GLN 228 N 0.88 0.12 -0.63 2.33 4.15 -1.06 0.17 115.11 121.06 1ura h GLN 228 Ca 0.28 -0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.80 1ura h GLN 228 Cb -0.00 -0.03 -0.08 0.00 0.21 0.00 0.00 27.48 27.58 1ura h GLN 228 CO -0.10 0.08 0.21 0.00 -1.93 0.00 0.00 178.83 177.09 1ura h ALA 229 N 1.25 0.81 -0.41 3.38 0.00 -0.68 0.18 119.26 123.79 1ura h ALA 229 Ca 0.14 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1ura h ALA 229 Cb 0.18 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ura h ALA 229 CO -0.22 -0.23 -0.17 1.96 0.00 0.00 0.00 179.25 180.60 1ura h GLN 230 N 0.37 0.83 0.00 0.00 4.20 -0.91 -1.32 115.11 118.29 1ura h GLN 230 Ca 0.33 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1ura h GLN 230 Cb 0.45 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1ura h GLN 230 CO -0.35 0.98 -0.09 0.00 -0.67 0.00 0.00 178.83 178.70 1ura h ALA 231 N 0.83 1.19 -0.01 3.87 0.00 0.49 -1.88 119.26 123.74 1ura h ALA 231 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ura h ALA 231 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ura h ALA 231 CO 0.05 0.11 -0.11 0.54 0.00 0.00 0.00 179.25 179.84 1ura n ARG 232 N -3.47 1.36 -0.05 0.00 1.74 0.51 -4.95 116.66 111.81 1ura n ARG 232 Ca -0.01 -0.83 0.00 0.00 -0.77 0.00 0.00 57.85 56.24 1ura n ARG 232 Cb 0.24 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1ura n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ura n GLY 233 N 1.25 0.69 3.77 -0.13 0.00 -0.70 -5.00 105.19 105.06 1ura n GLY 233 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1ura n GLY 233 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ura s TYR 234 N -2.06 3.14 -0.37 1.61 1.51 -0.53 -4.04 117.35 116.61 1ura s TYR 234 Ca 0.00 1.52 -0.20 0.00 -1.01 0.00 0.00 57.07 57.38 1ura s TYR 234 Cb 0.00 -3.50 0.01 0.00 -0.11 0.00 0.00 41.96 38.36 1ura s TYR 234 CO 0.00 -1.43 0.63 -0.65 -1.11 0.00 0.00 175.55 173.00 1ura s GLN 235 N -1.94 3.60 -0.05 -0.62 -0.21 0.17 -4.55 119.66 116.05 1ura s GLN 235 Ca 0.52 -0.04 -0.19 0.00 0.02 0.00 0.00 55.36 55.67 1ura s GLN 235 Cb -0.35 -3.84 -0.05 0.00 1.00 0.00 0.00 33.01 29.77 1ura s GLN 235 CO 0.45 -0.79 0.52 -0.51 -2.12 0.00 0.00 175.29 172.84 1ura s LEU 236 N 2.73 4.37 -0.02 2.90 1.43 -1.26 -0.88 118.68 127.95 1ura s LEU 236 Ca 0.24 1.00 0.02 0.00 -1.03 0.00 0.00 54.13 54.35 1ura s LEU 236 Cb -0.14 -2.78 0.01 0.00 0.03 0.00 0.00 46.19 43.30 1ura s LEU 236 CO 0.16 0.10 -0.05 -0.69 0.23 0.00 0.00 176.35 176.09 1ura s VAL 237 N -0.03 0.50 0.00 -1.59 1.01 -0.84 -4.99 120.40 114.47 1ura s VAL 237 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1ura s VAL 237 Cb -0.17 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.75 1ura s VAL 237 CO 0.14 0.17 0.59 -1.20 0.00 0.00 0.00 175.10 174.80 1ura n SER 238 N 3.35 1.17 -3.81 3.32 7.64 -1.26 -0.68 113.62 123.35 1ura n SER 238 Ca -0.18 -1.22 -0.09 0.00 1.01 0.00 0.00 58.87 58.39 1ura n SER 238 Cb 0.55 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.71 1ura n SER 238 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1ura s ASP 239 N -0.22 -0.22 0.21 6.43 1.47 -1.26 -4.53 116.67 118.54 1ura s ASP 239 Ca 0.00 -0.60 -0.09 0.00 1.18 0.00 0.00 52.55 53.04 1ura s ASP 239 Cb 0.00 0.60 0.24 0.00 -0.34 0.00 0.00 42.92 43.42 1ura s ASP 239 CO 0.00 -1.12 1.82 0.00 0.68 0.00 0.00 175.17 176.56 1ura h ALA 240 N 2.18 0.93 0.21 2.11 0.00 -1.00 -0.86 119.26 122.83 1ura h ALA 240 Ca -0.27 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1ura h ALA 240 Cb 1.26 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1ura h ALA 240 CO 0.35 0.11 -0.34 0.00 0.00 0.00 0.00 179.25 179.37 1ura h ALA 241 N 1.34 -0.64 -0.45 0.00 0.00 -1.85 -0.61 119.26 117.04 1ura h ALA 241 Ca 0.30 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1ura h ALA 241 Cb 0.14 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1ura h ALA 241 CO -0.16 -0.91 0.07 0.66 0.00 0.00 0.00 179.25 178.91 1ura h SER 242 N -0.62 0.65 -0.12 0.00 4.64 -1.92 -2.74 113.55 113.43 1ura h SER 242 Ca 0.01 -0.12 0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1ura h SER 242 Cb 0.61 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1ura h SER 242 CO -0.14 0.68 0.05 0.25 -0.87 0.00 0.00 176.83 176.80 1ura h LEU 243 N 0.67 0.08 -1.40 5.97 5.85 -0.68 -1.37 115.31 124.44 1ura h LEU 243 Ca 0.15 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1ura h LEU 243 Cb 0.32 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1ura h LEU 243 CO 0.00 0.06 0.00 -1.13 -0.34 0.00 0.00 178.44 177.04 1ura h ASN 244 N 0.12 0.00 1.38 1.25 -1.24 -0.89 -1.98 115.58 114.22 1ura h ASN 244 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.06 1ura h ASN 244 Cb 0.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.06 1ura h ASN 244 CO -0.04 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 174.90 1ura n SER 245 N -2.51 0.65 -4.67 1.15 7.64 -0.52 -4.81 113.62 110.54 1ura n SER 245 Ca -0.00 0.56 -0.42 0.00 1.01 0.00 0.00 58.87 60.02 1ura n SER 245 Cb 0.16 -0.74 -0.03 0.00 -1.01 0.00 0.00 64.21 62.60 1ura n SER 245 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ura s VAL 246 N -3.08 3.93 -0.14 0.44 1.01 -0.74 -4.90 120.40 116.91 1ura s VAL 246 Ca 0.11 1.20 0.17 0.00 0.00 0.00 0.00 61.98 63.46 1ura s VAL 246 Cb 0.14 -3.77 -0.24 0.00 0.00 0.00 0.00 36.38 32.50 1ura s VAL 246 CO 0.58 -0.07 0.31 0.35 0.00 0.00 0.00 175.10 176.28 1ura n THR 247 N 5.12 1.33 -3.84 3.92 -2.24 -1.26 -4.99 114.28 112.31 1ura n THR 247 Ca 0.14 -0.80 -0.11 0.00 -2.27 0.00 0.00 64.05 61.01 1ura n THR 247 Cb 0.44 -0.60 -0.09 0.00 -2.10 0.00 0.00 70.33 67.98 1ura n THR 247 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1ura s GLU 248 N -2.63 0.62 -0.10 -0.78 -1.05 -1.26 -4.94 118.70 108.56 1ura s GLU 248 Ca -0.08 -0.48 -0.04 0.00 -0.15 0.00 0.00 54.97 54.22 1ura s GLU 248 Cb 0.07 0.26 0.05 0.00 -0.44 0.00 0.00 34.13 34.07 1ura s GLU 248 CO 0.83 -0.17 0.21 0.00 0.95 0.00 0.00 175.26 177.09 1ura s ALA 249 N -1.97 -0.41 0.26 -0.84 0.00 -1.26 -4.92 121.76 112.62 1ura s ALA 249 Ca -0.10 0.82 -0.08 0.00 0.00 0.00 0.00 51.96 52.60 1ura s ALA 249 Cb -0.04 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.33 1ura s ALA 249 CO -0.01 -0.43 0.49 0.27 0.00 0.00 0.00 175.76 176.08 1ura n ASN 250 N 4.88 -1.41 0.27 0.00 0.23 -0.76 -4.85 115.26 113.61 1ura n ASN 250 Ca -0.14 -2.11 0.11 0.00 -0.53 0.00 0.00 54.58 51.92 1ura n ASN 250 Cb 0.51 2.39 0.75 0.00 -2.08 0.00 0.00 39.78 41.35 1ura n ASN 250 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1ura h GLN 251 N 0.00 0.00 0.09 -3.83 1.08 -1.92 0.18 115.11 110.71 1ura h GLN 251 Ca -0.22 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.73 1ura h GLN 251 Cb 0.82 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.24 1ura h GLN 251 CO 0.28 0.02 -1.21 1.96 -0.95 0.00 0.00 178.83 178.93 1ura h GLN 252 N 0.00 0.18 -2.24 1.46 7.50 -1.95 -3.39 115.11 116.66 1ura h GLN 252 Ca -0.00 -0.31 -0.58 0.00 0.50 0.00 0.00 58.65 58.26 1ura h GLN 252 Cb 0.05 0.11 -0.39 0.00 0.05 0.00 0.00 27.48 27.30 1ura h GLN 252 CO 0.00 1.12 -0.97 1.63 -1.50 0.00 0.00 178.83 179.11 1ura n LYS 253 N -3.46 0.75 -2.34 1.46 5.02 -0.62 -4.88 118.16 114.10 1ura n LYS 253 Ca -0.07 -3.43 -0.37 0.00 -2.02 0.00 0.00 58.31 52.42 1ura n LYS 253 Cb 1.00 -1.56 -0.02 0.00 -0.02 0.00 0.00 35.03 34.43 1ura n LYS 253 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ura s PRO 254 N -0.83 3.99 -0.13 1.97 0.04 0.54 -1.83 135.00 138.74 1ura s PRO 254 Ca 0.34 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.99 1ura s PRO 254 Cb 0.10 -2.56 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 1ura s PRO 254 CO -0.14 -0.35 0.29 -1.17 0.04 0.00 0.00 177.00 175.66 1ura s LEU 255 N -2.70 4.31 -0.27 -3.56 0.20 0.56 0.42 118.68 117.64 1ura s LEU 255 Ca 0.59 0.58 -0.02 0.00 0.69 0.00 0.00 54.13 55.97 1ura s LEU 255 Cb -0.28 -2.36 0.09 0.00 -0.43 0.00 0.00 46.19 43.21 1ura s LEU 255 CO 0.35 0.19 0.08 -0.22 -0.29 0.00 0.00 176.35 176.46 1ura s LEU 256 N -0.04 1.61 -0.35 -0.68 2.96 -0.06 -1.50 118.68 120.62 1ura s LEU 256 Ca 0.17 -1.31 -0.10 0.00 -0.22 0.00 0.00 54.13 52.67 1ura s LEU 256 Cb -0.13 -0.69 0.01 0.00 0.50 0.00 0.00 46.19 45.87 1ura s LEU 256 CO 0.05 -0.38 0.18 -0.83 -1.32 0.00 0.00 176.35 174.05 1ura s GLY 257 N 1.77 1.90 -0.46 7.98 0.00 0.20 -1.98 107.32 116.73 1ura s GLY 257 Ca 0.06 -1.58 -0.08 0.00 0.00 0.00 0.00 44.72 43.11 1ura s GLY 257 CO -0.22 0.78 0.32 1.08 0.00 0.00 0.00 173.10 175.06 1ura s LEU 258 N 1.57 5.57 -0.01 0.66 1.43 0.14 -1.27 118.68 126.77 1ura s LEU 258 Ca 0.03 -1.87 0.20 0.00 -1.03 0.00 0.00 54.13 51.47 1ura s LEU 258 Cb -0.18 -1.99 0.61 0.00 0.03 0.00 0.00 46.19 44.66 1ura s LEU 258 CO 0.06 -0.65 1.51 0.49 0.23 0.00 0.00 176.35 177.99 1ura n PHE 259 N 4.87 0.98 -3.61 0.29 3.72 -0.30 -4.21 117.46 119.20 1ura n PHE 259 Ca -0.08 -0.47 -0.06 0.00 -0.05 0.00 0.00 57.45 56.80 1ura n PHE 259 Cb 0.41 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 38.88 1ura n PHE 259 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ura s ALA 260 N -1.19 -2.04 0.05 4.37 0.00 -1.26 -4.96 121.76 116.74 1ura s ALA 260 Ca 0.46 1.72 -0.26 0.00 0.00 0.00 0.00 51.96 53.88 1ura s ALA 260 Cb 0.25 -0.96 -0.17 0.00 0.00 0.00 0.00 23.12 22.23 1ura s ALA 260 CO 0.30 -0.33 1.55 -0.44 0.00 0.00 0.00 175.76 176.84 1ura h ASP 261 N 2.24 -0.19 0.00 0.00 3.32 -1.94 -1.27 116.42 118.58 1ura h ASP 261 Ca -0.12 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1ura h ASP 261 Cb 1.18 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1ura h ASP 261 CO 0.26 -0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.38 1ura n GLY 262 N -0.80 1.31 3.79 2.75 0.00 -1.26 -2.05 105.19 108.93 1ura n GLY 262 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1ura n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ura s ASN 263 N 0.05 6.78 0.81 1.61 0.01 -1.26 -1.86 114.94 121.09 1ura s ASN 263 Ca 0.00 1.99 -0.11 0.00 -0.71 0.00 0.00 52.86 54.03 1ura s ASN 263 Cb 0.00 -2.58 0.08 0.00 0.41 0.00 0.00 41.25 39.16 1ura s ASN 263 CO 0.00 -0.47 1.12 -0.04 -1.51 0.00 0.00 177.10 176.20 1ura s MET 264 N -2.56 1.85 0.43 -0.60 -1.94 -0.21 -4.95 119.30 111.33 1ura s MET 264 Ca 0.58 1.35 -0.26 0.00 -1.71 0.00 0.00 55.69 55.65 1ura s MET 264 Cb -0.20 -1.84 -0.09 0.00 2.01 0.00 0.00 34.83 34.71 1ura s MET 264 CO 0.26 -1.97 1.43 -2.30 -0.01 0.00 0.00 175.02 172.43 1ura n PRO 265 N -3.66 2.31 -2.65 2.03 -0.02 -1.26 -4.97 135.00 126.79 1ura n PRO 265 Ca 0.10 0.82 -0.34 0.00 -2.02 0.00 0.00 63.50 62.06 1ura n PRO 265 Cb 0.52 -2.62 -0.05 0.00 -0.02 0.00 0.00 33.50 31.33 1ura n PRO 265 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ura s VAL 266 N -1.18 4.00 0.06 -1.45 1.01 -1.26 -4.98 120.40 116.60 1ura s VAL 266 Ca 0.60 1.30 -0.17 0.00 0.00 0.00 0.00 61.98 63.71 1ura s VAL 266 Cb -0.46 -3.56 -0.17 0.00 0.00 0.00 0.00 36.38 32.20 1ura s VAL 266 CO 0.59 -0.22 1.26 -0.09 0.00 0.00 0.00 175.10 176.64 1ura h ARG 267 N 1.87 0.59 -6.51 2.72 2.43 -1.88 -3.43 114.38 110.17 1ura h ARG 267 Ca -0.49 -0.46 -0.65 0.00 -0.81 0.00 0.00 59.98 57.57 1ura h ARG 267 Cb 1.20 0.09 -0.25 0.00 -0.42 0.00 0.00 29.97 30.60 1ura h ARG 267 CO 0.60 1.09 -0.86 -1.58 -1.51 0.00 0.00 179.97 177.71 1ura s TRP 268 N -3.73 2.11 0.08 2.20 0.51 -1.26 -1.30 118.94 117.55 1ura s TRP 268 Ca -0.12 -0.40 0.05 0.00 -2.12 0.00 0.00 56.10 53.51 1ura s TRP 268 Cb 0.06 -1.23 -0.04 0.00 -0.81 0.00 0.00 33.47 31.45 1ura s TRP 268 CO 0.84 0.16 -0.02 -0.51 -0.51 0.00 0.00 176.95 176.91 1ura s LEU 269 N -1.41 3.38 -0.14 2.99 1.43 0.13 -3.92 118.68 121.13 1ura s LEU 269 Ca 0.10 -0.20 -0.32 0.00 -1.03 0.00 0.00 54.13 52.68 1ura s LEU 269 Cb -0.10 -2.11 0.13 0.00 0.03 0.00 0.00 46.19 44.15 1ura s LEU 269 CO 0.03 0.18 1.09 -0.83 0.23 0.00 0.00 176.35 177.05 1ura s GLY 270 N -2.22 -0.31 0.69 -3.19 0.00 -1.26 -2.31 107.32 98.72 1ura s GLY 270 Ca 0.24 1.61 -0.13 0.00 0.00 0.00 0.00 44.72 46.45 1ura s GLY 270 CO 0.17 0.61 1.08 2.56 0.00 0.00 0.00 173.10 177.52 1ura s PRO 271 N -2.27 2.76 0.62 2.90 0.04 -1.26 -4.89 135.00 132.89 1ura s PRO 271 Ca 0.06 1.18 -0.16 0.00 0.04 0.00 0.00 61.00 62.12 1ura s PRO 271 Cb -0.01 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1ura s PRO 271 CO -0.05 -1.26 1.09 0.21 0.04 0.00 0.00 177.00 177.03 1ura s LYS 272 N -4.59 3.07 0.55 4.56 2.20 -1.26 -4.61 119.74 119.67 1ura s LYS 272 Ca 0.62 1.34 -0.19 0.00 -0.36 0.00 0.00 55.97 57.38 1ura s LYS 272 Cb -0.17 -1.99 -0.06 0.00 -1.51 0.00 0.00 37.83 34.11 1ura s LYS 272 CO 0.49 -1.02 1.14 0.00 -0.36 0.00 0.00 175.35 175.59 1ura s ALA 273 N -2.32 2.67 0.22 3.13 0.00 0.30 -5.01 121.76 120.76 1ura s ALA 273 Ca 0.66 0.85 0.02 0.00 0.00 0.00 0.00 51.96 53.49 1ura s ALA 273 Cb -0.19 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 1ura s ALA 273 CO 0.38 -0.83 0.05 0.95 0.00 0.00 0.00 175.76 176.31 1ura s THR 274 N -1.74 0.63 0.06 0.00 -4.23 -0.89 -4.71 115.64 104.76 1ura s THR 274 Ca 0.73 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.95 1ura s THR 274 Cb -0.25 -2.41 -0.09 0.00 1.34 0.00 0.00 72.50 71.09 1ura s THR 274 CO 0.28 -0.21 1.80 -0.47 -0.54 0.00 0.00 174.62 175.48 1ura s TYR 275 N -3.70 1.94 -1.94 3.99 5.04 -1.26 -0.79 117.35 120.63 1ura s TYR 275 Ca 0.32 -0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.92 1ura s TYR 275 Cb 0.07 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 38.28 1ura s TYR 275 CO 0.09 -4.67 0.00 0.72 -1.34 0.00 0.00 175.55 170.36 1ura n HIS 276 N 6.41 -0.59 -0.01 4.97 8.25 -1.26 -4.87 115.22 128.12 1ura n HIS 276 Ca 0.18 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.79 1ura n HIS 276 Cb 0.40 -3.73 0.61 0.00 1.12 0.00 0.00 29.99 28.39 1ura n HIS 276 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1ura h GLY 277 N 0.00 0.25 2.00 -1.41 0.00 -1.27 -1.30 103.07 101.35 1ura h GLY 277 Ca -0.46 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 46.74 1ura h GLY 277 CO 0.59 0.04 -0.27 3.45 0.00 0.00 0.00 176.54 180.36 1ura h ASN 278 N 0.17 0.00 0.00 0.19 -1.07 -1.83 -2.53 115.58 110.51 1ura h ASN 278 Ca 0.24 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 56.29 1ura h ASN 278 Cb 0.71 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.90 1ura h ASN 278 CO -0.04 0.27 -2.21 2.30 0.07 0.00 0.00 177.43 177.82 1ura n ILE 279 N -3.31 1.21 0.07 6.14 -5.35 -0.76 -4.67 119.36 112.68 1ura n ILE 279 Ca 0.01 -0.65 -0.23 0.00 -0.27 0.00 0.00 62.75 61.62 1ura n ILE 279 Cb 0.51 -0.79 -0.15 0.00 -1.74 0.00 0.00 39.64 37.47 1ura n ILE 279 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1ura h ASP 280 N 0.00 0.59 -2.27 7.28 3.32 -1.39 -3.47 116.42 120.48 1ura h ASP 280 Ca -0.48 -0.92 -0.48 0.00 0.02 0.00 0.00 57.03 55.17 1ura h ASP 280 Cb 1.96 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 41.30 1ura h ASP 280 CO -0.01 1.74 -0.44 -0.54 -1.72 0.00 0.00 179.24 178.27 1ura s LYS 281 N -2.55 3.42 0.90 3.56 1.02 -0.95 -5.08 119.74 120.06 1ura s LYS 281 Ca -0.16 -0.73 -0.12 0.00 0.02 0.00 0.00 55.97 54.98 1ura s LYS 281 Cb 0.05 -2.90 0.13 0.00 -0.52 0.00 0.00 37.83 34.59 1ura s LYS 281 CO 0.84 0.45 1.09 -2.14 -0.92 0.00 0.00 175.35 174.68 1ura s PRO 282 N -3.81 1.19 0.33 -1.68 0.02 -1.26 -4.65 135.00 125.14 1ura s PRO 282 Ca 0.34 0.74 -0.28 0.00 0.02 0.00 0.00 61.00 61.82 1ura s PRO 282 Cb -0.09 -1.81 -0.10 0.00 0.02 0.00 0.00 34.50 32.52 1ura s PRO 282 CO 0.29 -2.26 1.21 0.00 -0.33 0.00 0.00 177.00 175.91 1ura s ALA 283 N -2.97 3.38 0.02 -1.55 0.00 -1.26 -4.69 121.76 114.69 1ura s ALA 283 Ca 0.63 1.08 -0.08 0.00 0.00 0.00 0.00 51.96 53.59 1ura s ALA 283 Cb -0.18 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 1ura s ALA 283 CO 0.57 -0.48 0.31 0.08 0.00 0.00 0.00 175.76 176.24 1ura s VAL 284 N -1.22 5.22 -0.17 0.00 1.01 0.59 -4.80 120.40 121.04 1ura s VAL 284 Ca 0.50 0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.81 1ura s VAL 284 Cb -0.35 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.46 1ura s VAL 284 CO 0.46 0.38 -0.13 -0.89 0.00 0.00 0.00 175.10 174.92 1ura s THR 285 N -1.29 1.60 0.51 3.92 2.01 -1.26 -0.31 115.64 120.82 1ura s THR 285 Ca 0.28 -0.78 -0.22 0.00 0.31 0.00 0.00 61.69 61.27 1ura s THR 285 Cb -0.14 -1.57 -0.06 0.00 0.01 0.00 0.00 72.50 70.74 1ura s THR 285 CO 0.16 0.34 1.31 0.00 -0.69 0.00 0.00 174.62 175.74 1ura s THR 287 N -1.35 1.35 0.41 0.00 -1.32 -0.98 -4.98 115.64 108.77 1ura s THR 287 Ca 0.68 -0.74 -0.27 0.00 -1.21 0.00 0.00 61.69 60.16 1ura s THR 287 Cb -0.38 -1.13 -0.10 0.00 -1.51 0.00 0.00 72.50 69.39 1ura s THR 287 CO 0.45 0.38 1.46 -2.65 -2.21 0.00 0.00 174.62 172.05 1ura n PRO 288 N 2.64 2.48 -2.56 7.08 -0.02 -1.26 0.19 135.00 143.55 1ura n PRO 288 Ca -0.15 0.87 -0.43 0.00 -2.02 0.00 0.00 63.50 61.78 1ura n PRO 288 Cb 0.54 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 1ura n PRO 288 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ura s ASN 289 N -0.28 6.88 0.55 2.55 2.47 -0.42 -4.66 114.94 122.03 1ura s ASN 289 Ca 0.57 1.19 0.30 0.00 0.42 0.00 0.00 52.86 55.33 1ura s ASN 289 Cb -0.47 -2.54 1.60 0.00 -1.45 0.00 0.00 41.25 38.39 1ura s ASN 289 CO 0.61 -0.90 2.13 -0.65 -3.72 0.00 0.00 177.10 174.57 1ura h PRO 290 N 8.34 0.00 0.00 0.43 0.11 -1.92 -2.37 132.00 136.59 1ura h PRO 290 Ca -0.22 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 1ura h PRO 290 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ura h PRO 290 CO 1.02 0.08 -0.05 1.96 -0.21 0.00 0.00 178.00 180.80 1ura h GLN 291 N 0.00 0.00 -0.41 1.05 4.20 -1.93 -3.37 115.11 114.66 1ura h GLN 291 Ca -0.00 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.78 1ura h GLN 291 Cb 0.26 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.95 1ura h GLN 291 CO 0.01 0.05 -0.46 0.07 -0.67 0.00 0.00 178.83 177.83 1ura h ARG 292 N 0.00 -0.33 -0.11 1.46 0.11 -1.70 -3.49 114.38 110.32 1ura h ARG 292 Ca -0.00 0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1ura h ARG 292 Cb 0.51 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.66 1ura h ARG 292 CO 0.01 -0.22 0.00 0.09 0.10 0.00 0.00 179.97 179.95 1ura n ASN 293 N -5.41 -0.86 0.18 0.08 3.02 -1.26 -4.29 115.26 106.72 1ura n ASN 293 Ca -0.01 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.66 1ura n ASN 293 Cb 0.35 0.20 0.63 0.00 -0.61 0.00 0.00 39.78 40.36 1ura n ASN 293 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1ura h ASP 294 N 0.00 0.00 1.87 6.41 3.32 -1.95 -3.27 116.42 122.80 1ura h ASP 294 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1ura h ASP 294 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ura h ASP 294 CO 0.00 0.00 -0.10 0.77 -1.72 0.00 0.00 179.24 178.19 1ura h SER 295 N 0.00 0.00 -3.71 6.45 4.64 -1.98 -3.43 113.55 115.51 1ura h SER 295 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1ura h SER 295 Cb 0.09 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 61.98 1ura h SER 295 CO 0.00 0.10 -0.52 -0.69 -0.87 0.00 0.00 176.83 174.85 1ura s VAL 296 N -3.18 5.01 0.53 0.95 1.01 -1.23 -0.40 120.40 123.08 1ura s VAL 296 Ca 0.06 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.58 1ura s VAL 296 Cb 0.06 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 1ura s VAL 296 CO 0.68 0.06 1.23 -2.16 0.00 0.00 0.00 175.10 174.91 1ura s PRO 297 N 1.68 3.34 0.67 2.72 0.04 -1.26 -4.74 135.00 137.44 1ura s PRO 297 Ca 0.06 1.92 -0.07 0.00 0.04 0.00 0.00 61.00 62.95 1ura s PRO 297 Cb -0.17 -2.21 0.04 0.00 0.04 0.00 0.00 34.50 32.19 1ura s PRO 297 CO 0.09 -0.93 0.99 0.95 0.04 0.00 0.00 177.00 178.13 1ura s THR 298 N -1.49 2.89 0.31 1.26 -4.23 -1.26 -4.86 115.64 108.26 1ura s THR 298 Ca 0.70 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 1ura s THR 298 Cb -0.32 -3.21 0.27 0.00 1.34 0.00 0.00 72.50 70.57 1ura s THR 298 CO 0.38 -0.23 1.95 0.25 -0.54 0.00 0.00 174.62 176.42 1ura h LEU 299 N -0.47 0.89 -0.83 4.79 5.85 -1.95 0.10 115.31 123.68 1ura h LEU 299 Ca -0.45 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.16 1ura h LEU 299 Cb 1.29 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1ura h LEU 299 CO 0.61 0.61 -0.18 0.00 -0.34 0.00 0.00 178.44 179.14 1ura h ALA 300 N 1.51 1.01 -0.24 1.25 0.00 -1.89 0.85 119.26 121.76 1ura h ALA 300 Ca 0.33 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1ura h ALA 300 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ura h ALA 300 CO -0.10 0.59 -0.14 1.96 0.00 0.00 0.00 179.25 181.56 1ura h GLN 301 N 0.60 0.52 -0.77 0.00 4.20 -1.59 0.56 115.11 118.63 1ura h GLN 301 Ca 0.09 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 1ura h GLN 301 Cb 0.64 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 1ura h GLN 301 CO 0.05 0.79 0.33 0.52 -0.67 0.00 0.00 178.83 179.85 1ura h MET 302 N 0.23 1.13 -0.41 1.46 2.86 -0.80 -0.49 114.93 118.91 1ura h MET 302 Ca 0.05 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 1ura h MET 302 Cb 0.65 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1ura h MET 302 CO 0.04 0.90 0.09 1.15 1.06 0.00 0.00 176.91 180.15 1ura h THR 303 N 1.11 1.23 -0.27 2.22 2.02 -0.66 -0.78 112.91 117.78 1ura h THR 303 Ca 0.26 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 1ura h THR 303 Cb 0.18 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1ura h THR 303 CO -0.03 0.29 0.06 -0.78 0.37 0.00 0.00 175.52 175.43 1ura h ASP 304 N 0.53 0.42 -0.53 4.18 3.58 -0.47 -1.06 116.42 123.07 1ura h ASP 304 Ca 0.13 -0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.31 1ura h ASP 304 Cb 0.33 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1ura h ASP 304 CO 0.00 0.55 0.23 0.50 -2.88 0.00 0.00 179.24 177.64 1ura h LYS 305 N 0.26 0.79 -0.17 0.28 1.63 -1.05 -1.78 116.57 116.52 1ura h LYS 305 Ca 0.08 -0.14 0.03 0.00 -0.85 0.00 0.00 60.65 59.78 1ura h LYS 305 Cb 0.30 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 1ura h LYS 305 CO 0.00 0.68 -0.01 0.00 -3.45 0.00 0.00 179.45 176.67 1ura h ALA 306 N 1.07 0.14 -0.73 5.00 0.00 -0.92 -1.45 119.26 122.36 1ura h ALA 306 Ca 0.18 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1ura h ALA 306 Cb 0.17 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1ura h ALA 306 CO -0.02 -0.45 0.47 0.82 0.00 0.00 0.00 179.25 180.08 1ura h ILE 307 N 0.05 1.14 0.07 0.00 2.04 -1.00 0.09 117.51 119.90 1ura h ILE 307 Ca 0.08 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1ura h ILE 307 Cb 0.10 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 1ura h ILE 307 CO -0.14 0.17 -0.14 -0.08 0.00 0.00 0.00 178.15 177.96 1ura h GLU 308 N 0.95 -0.26 -0.18 2.37 4.81 -0.75 0.22 114.58 121.74 1ura h GLU 308 Ca 0.28 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 1ura h GLU 308 Cb -0.04 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1ura h GLU 308 CO -0.09 -0.17 -0.00 -0.07 -0.73 0.00 0.00 179.01 177.95 1ura h LEU 309 N -0.27 0.31 -1.48 1.64 3.38 -1.10 -3.12 115.31 114.68 1ura h LEU 309 Ca 0.03 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1ura h LEU 309 Cb 0.29 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1ura h LEU 309 CO -0.09 0.55 -0.16 -0.07 0.09 0.00 0.00 178.44 178.77 1ura h LEU 310 N 0.07 0.13 -0.85 1.67 4.07 -0.84 -2.74 115.31 116.82 1ura h LEU 310 Ca 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1ura h LEU 310 Cb 0.39 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1ura h LEU 310 CO 0.01 0.31 0.00 0.77 -1.08 0.00 0.00 178.44 178.45 1ura h SER 311 N 0.13 0.00 0.70 -0.43 4.64 -0.49 -2.65 113.55 115.46 1ura h SER 311 Ca 0.03 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 1ura h SER 311 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1ura h SER 311 CO 0.02 0.00 -0.19 0.11 -0.87 0.00 0.00 176.83 175.91 1ura h LYS 312 N 0.00 0.00 -6.39 4.77 1.79 -1.56 -3.41 116.57 111.78 1ura h LYS 312 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 1ura h LYS 312 Cb 0.36 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.96 1ura h LYS 312 CO 0.00 0.19 1.14 1.21 -1.08 0.00 0.00 179.45 180.90 1ura s ASN 313 N -6.16 6.08 0.55 0.86 3.84 -1.00 -4.89 114.94 114.22 1ura s ASN 313 Ca -0.01 0.59 0.25 0.00 0.21 0.00 0.00 52.86 53.90 1ura s ASN 313 Cb 0.11 -2.54 1.44 0.00 -0.55 0.00 0.00 41.25 39.71 1ura s ASN 313 CO 0.61 -1.69 2.02 1.05 -2.79 0.00 0.00 177.10 176.31 1ura h GLU 314 N 11.55 0.00 -0.11 0.43 9.09 -1.89 -1.64 114.58 132.01 1ura h GLU 314 Ca -0.28 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.01 1ura h GLU 314 Cb 1.11 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.20 1ura h GLU 314 CO 1.13 0.00 -0.47 -0.22 0.05 0.00 0.00 179.01 179.50 1ura h LYS 315 N 0.00 0.28 0.00 1.06 1.63 -1.90 -3.49 116.57 114.14 1ura h LYS 315 Ca 0.20 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1ura h LYS 315 Cb 0.84 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1ura h LYS 315 CO -0.00 0.70 0.00 0.41 -3.45 0.00 0.00 179.45 177.10 1ura n GLY 316 N -0.02 0.87 3.41 5.01 0.00 -0.62 -4.93 105.19 108.91 1ura n GLY 316 Ca -0.02 -2.21 -0.10 0.00 0.00 0.00 0.00 46.02 43.70 1ura n GLY 316 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ura s PHE 317 N -0.95 -0.01 -0.09 1.61 -0.12 -1.20 -0.92 117.98 116.30 1ura s PHE 317 Ca 0.00 -0.34 0.03 0.00 -0.05 0.00 0.00 56.93 56.57 1ura s PHE 317 Cb 0.00 0.23 0.01 0.00 -0.63 0.00 0.00 43.02 42.63 1ura s PHE 317 CO 0.00 -0.79 -0.17 0.12 -0.05 0.00 0.00 175.22 174.33 1ura s PHE 318 N -3.88 1.97 -0.04 3.49 5.36 -0.38 -1.63 117.98 122.87 1ura s PHE 318 Ca 0.09 -0.83 0.00 0.00 -0.96 0.00 0.00 56.93 55.23 1ura s PHE 318 Cb 0.01 -1.39 0.02 0.00 -0.34 0.00 0.00 43.02 41.33 1ura s PHE 318 CO -0.05 -0.39 -0.02 -1.17 -1.46 0.00 0.00 175.22 172.13 1ura s LEU 319 N 0.68 1.13 -0.16 6.12 2.96 0.03 -0.61 118.68 128.83 1ura s LEU 319 Ca -0.13 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1ura s LEU 319 Cb -0.16 -0.34 -0.01 0.00 0.50 0.00 0.00 46.19 46.17 1ura s LEU 319 CO 0.03 -0.10 -0.10 -1.58 -1.32 0.00 0.00 176.35 173.29 1ura s GLN 320 N 1.13 3.42 -0.06 1.98 0.74 -0.55 -0.52 119.66 125.80 1ura s GLN 320 Ca -0.08 -0.65 0.06 0.00 0.05 0.00 0.00 55.36 54.74 1ura s GLN 320 Cb -0.14 -2.77 -0.01 0.00 1.10 0.00 0.00 33.01 31.20 1ura s GLN 320 CO -0.01 0.11 -0.24 0.08 -0.55 0.00 0.00 175.29 174.68 1ura s VAL 321 N 0.63 1.98 -0.08 1.34 1.01 0.56 -0.62 120.40 125.21 1ura s VAL 321 Ca -0.05 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1ura s VAL 321 Cb -0.15 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.57 1ura s VAL 321 CO 0.03 0.55 -0.11 -0.70 0.00 0.00 0.00 175.10 174.87 1ura s GLU 322 N -0.10 1.66 -0.92 2.72 2.12 0.42 -0.38 118.70 124.22 1ura s GLU 322 Ca -0.05 -0.36 -0.18 0.00 0.36 0.00 0.00 54.97 54.74 1ura s GLU 322 Cb -0.14 -1.49 0.14 0.00 0.26 0.00 0.00 34.13 32.91 1ura s GLU 322 CO 0.04 -0.08 1.08 0.20 -0.54 0.00 0.00 175.26 175.96 1ura s GLY 323 N 1.04 2.04 0.01 -1.50 0.00 0.45 -2.56 107.32 106.81 1ura s GLY 323 Ca -0.07 -2.85 -0.22 0.00 0.00 0.00 0.00 44.72 41.57 1ura s GLY 323 CO -0.01 1.90 1.30 0.00 0.00 0.00 0.00 173.10 176.30 1ura h ALA 324 N 8.67 0.13 0.00 3.20 0.00 -1.91 -2.05 119.26 127.31 1ura h ALA 324 Ca 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ura h ALA 324 Cb 1.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ura h ALA 324 CO 1.06 -0.02 0.00 0.43 0.00 0.00 0.00 179.25 180.72 1ura n SER 325 N -4.65 0.00 -0.10 0.00 7.64 -1.26 -2.55 113.62 112.70 1ura n SER 325 Ca -0.07 0.21 -0.09 0.00 1.01 0.00 0.00 58.87 59.93 1ura n SER 325 Cb 0.33 -0.28 -0.02 0.00 -1.01 0.00 0.00 64.21 63.23 1ura n SER 325 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ura h ILE 326 N 0.00 1.15 0.16 0.44 2.04 -1.75 0.30 117.51 119.84 1ura h ILE 326 Ca 0.00 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1ura h ILE 326 Cb 0.04 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1ura h ILE 326 CO 0.00 0.15 -0.08 -0.78 0.00 0.00 0.00 178.15 177.44 1ura h ASP 327 N 0.38 -0.18 -0.90 1.72 3.58 -0.69 -1.73 116.42 118.59 1ura h ASP 327 Ca 0.11 -0.22 0.08 0.00 0.42 0.00 0.00 57.03 57.43 1ura h ASP 327 Cb 0.10 0.05 -0.07 0.00 1.72 0.00 0.00 39.33 41.12 1ura h ASP 327 CO -0.02 0.12 0.56 0.11 -2.88 0.00 0.00 179.24 177.13 1ura h LYS 328 N -0.50 0.93 -0.01 0.28 1.57 -1.60 -0.19 116.57 117.05 1ura h LYS 328 Ca -0.02 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 1ura h LYS 328 Cb 0.39 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1ura h LYS 328 CO 0.04 0.62 -0.65 1.96 -0.57 0.00 0.00 179.45 180.84 1ura h GLN 329 N 0.96 0.05 -0.48 3.15 1.08 -0.91 -2.22 115.11 116.74 1ura h GLN 329 Ca 0.42 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.51 1ura h GLN 329 Cb 0.29 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1ura h GLN 329 CO -0.21 0.69 0.05 0.22 -0.95 0.00 0.00 178.83 178.62 1ura h ASP 330 N 0.04 0.79 -0.67 1.46 1.82 -0.29 -1.80 116.42 117.78 1ura h ASP 330 Ca -0.01 -0.28 0.01 0.00 -0.39 0.00 0.00 57.03 56.36 1ura h ASP 330 Cb 1.16 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.92 1ura h ASP 330 CO 0.09 0.87 0.44 0.45 -1.61 0.00 0.00 179.24 179.48 1ura h HIS 331 N 0.69 0.84 0.00 0.28 3.86 -0.88 -1.84 115.15 118.10 1ura h HIS 331 Ca 0.14 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1ura h HIS 331 Cb 0.43 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1ura h HIS 331 CO 0.03 0.53 0.00 0.00 0.86 0.00 0.00 177.93 179.36 1ura n ALA 332 N -2.28 2.47 -3.96 2.45 0.00 -0.85 -1.05 120.51 117.29 1ura n ALA 332 Ca 0.06 -0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.20 1ura n ALA 332 Cb 0.02 -1.04 -0.00 0.00 0.00 0.00 0.00 19.45 18.43 1ura n ALA 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ura n ALA 333 N -0.54 -1.67 -3.95 0.00 0.00 -0.69 -4.70 120.51 108.96 1ura n ALA 333 Ca 0.02 -0.08 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 1ura n ALA 333 Cb 0.01 -2.72 -0.14 0.00 0.00 0.00 0.00 19.45 16.59 1ura n ALA 333 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ura s ASN 334 N -3.88 4.80 0.16 0.00 3.84 -0.72 -0.54 114.94 118.60 1ura s ASN 334 Ca 0.32 -2.32 -0.18 0.00 0.21 0.00 0.00 52.86 50.89 1ura s ASN 334 Cb -0.17 -1.68 0.08 0.00 -0.55 0.00 0.00 41.25 38.93 1ura s ASN 334 CO 0.87 -0.38 1.66 -0.65 -2.79 0.00 0.00 177.10 175.81 1ura h PRO 335 N 7.47 -0.04 -0.68 0.43 0.11 -1.85 -1.53 132.00 135.91 1ura h PRO 335 Ca -0.06 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1ura h PRO 335 Cb 1.00 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1ura h PRO 335 CO 0.59 -0.02 0.41 0.00 -0.21 0.00 0.00 178.00 178.77 1ura h GLY 337 N 0.93 0.56 0.89 0.00 0.00 -1.61 -0.00 103.07 103.83 1ura h GLY 337 Ca 0.24 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1ura h GLY 337 CO -0.05 0.37 -0.29 -1.61 0.00 0.00 0.00 176.54 174.97 1ura h GLN 338 N 0.32 -0.70 -0.33 4.80 4.15 -1.00 -1.96 115.11 120.40 1ura h GLN 338 Ca 0.09 0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.57 1ura h GLN 338 Cb 0.41 0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 1ura h GLN 338 CO 0.01 -0.47 0.20 0.82 -1.93 0.00 0.00 178.83 177.47 1ura h ILE 339 N -0.73 1.05 -0.95 2.39 2.04 -0.75 -2.44 117.51 118.13 1ura h ILE 339 Ca -0.06 -0.14 0.11 0.00 1.00 0.00 0.00 64.86 65.78 1ura h ILE 339 Cb 0.59 0.60 -0.08 0.00 -0.74 0.00 0.00 36.82 37.19 1ura h ILE 339 CO 0.06 0.07 0.59 1.23 0.00 0.00 0.00 178.15 180.10 1ura h GLY 340 N 0.41 1.54 2.00 5.37 0.00 -0.87 0.35 103.07 111.87 1ura h GLY 340 Ca 0.13 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1ura h GLY 340 CO -0.05 0.15 -0.23 0.83 0.00 0.00 0.00 176.54 177.24 1ura h GLU 341 N 0.94 0.00 -0.01 4.80 4.39 -0.92 0.06 114.58 123.83 1ura h GLU 341 Ca 0.47 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.93 1ura h GLU 341 Cb 0.46 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1ura h GLU 341 CO -0.26 0.23 -0.97 1.15 -1.16 0.00 0.00 179.01 178.00 1ura h THR 342 N 0.00 1.35 -0.48 1.13 2.02 -0.53 -1.13 112.91 115.26 1ura h THR 342 Ca -0.00 -2.34 -0.09 0.00 0.77 0.00 0.00 66.41 64.75 1ura h THR 342 Cb 0.70 2.37 -0.02 0.00 -1.74 0.00 0.00 68.15 69.46 1ura h THR 342 CO 0.03 0.71 -0.07 0.58 0.37 0.00 0.00 175.52 177.14 1ura h VAL 343 N 0.31 1.27 -0.52 3.16 2.07 -0.77 -1.36 116.25 120.40 1ura h VAL 343 Ca -0.10 -1.18 0.03 0.00 0.82 0.00 0.00 66.70 66.28 1ura h VAL 343 Cb 1.61 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 1ura h VAL 343 CO 0.18 0.41 0.30 -0.78 0.02 0.00 0.00 177.57 177.70 1ura h ASP 344 N 0.75 0.47 -0.71 0.57 3.58 -0.90 -2.16 116.42 118.02 1ura h ASP 344 Ca 0.13 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.53 1ura h ASP 344 Cb 0.60 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 1ura h ASP 344 CO 0.04 0.33 0.20 0.25 -2.88 0.00 0.00 179.24 177.18 1ura h LEU 345 N 0.59 1.06 -1.21 2.28 5.85 -0.91 -2.78 115.31 120.20 1ura h LEU 345 Ca 0.21 -0.22 0.11 0.00 0.84 0.00 0.00 57.88 58.82 1ura h LEU 345 Cb 0.05 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.74 1ura h LEU 345 CO -0.11 1.00 0.58 -0.78 -0.34 0.00 0.00 178.44 178.79 1ura h ASP 346 N 1.07 0.77 -0.66 1.25 3.58 -0.61 -0.10 116.42 121.72 1ura h ASP 346 Ca 0.23 0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.62 1ura h ASP 346 Cb 0.34 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 1ura h ASP 346 CO -0.00 0.44 0.09 -0.33 -2.88 0.00 0.00 179.24 176.55 1ura h GLU 347 N 0.84 1.10 -0.55 0.28 5.08 -1.19 -1.71 114.58 118.43 1ura h GLU 347 Ca 0.43 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1ura h GLU 347 Cb 0.49 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1ura h GLU 347 CO -0.19 1.02 0.03 0.00 -1.00 0.00 0.00 179.01 178.87 1ura h ALA 348 N 1.04 1.02 -0.53 3.43 0.00 -1.05 -2.31 119.26 120.85 1ura h ALA 348 Ca 0.20 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1ura h ALA 348 Cb 0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1ura h ALA 348 CO 0.02 0.61 0.08 0.28 0.00 0.00 0.00 179.25 180.24 1ura h VAL 349 N 0.85 1.24 -0.53 0.00 2.07 -0.76 -2.22 116.25 116.90 1ura h VAL 349 Ca 0.16 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1ura h VAL 349 Cb 0.46 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1ura h VAL 349 CO 0.02 0.33 0.23 1.56 0.02 0.00 0.00 177.57 179.73 1ura h GLN 350 N 0.80 0.78 -0.60 1.57 4.20 -0.80 0.11 115.11 121.17 1ura h GLN 350 Ca 0.17 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1ura h GLN 350 Cb 0.37 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 1ura h GLN 350 CO 0.01 0.66 0.30 0.00 -0.67 0.00 0.00 178.83 179.13 1ura h ARG 351 N 0.71 0.85 -0.38 1.46 2.47 -1.22 -0.27 114.38 118.00 1ura h ARG 351 Ca 0.18 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1ura h ARG 351 Cb 0.16 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.31 1ura h ARG 351 CO -0.02 0.68 0.11 0.00 0.56 0.00 0.00 179.97 181.30 1ura h ALA 352 N 1.13 0.50 -0.44 0.04 0.00 -1.04 -2.42 119.26 117.02 1ura h ALA 352 Ca 0.21 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1ura h ALA 352 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ura h ALA 352 CO -0.03 0.15 -0.05 1.25 0.00 0.00 0.00 179.25 180.58 1ura h LEU 353 N 0.47 0.73 0.32 0.00 5.85 -0.79 -0.12 115.31 121.76 1ura h LEU 353 Ca 0.12 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1ura h LEU 353 Cb 0.27 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1ura h LEU 353 CO -0.00 0.82 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.69 1ura h GLU 354 N 0.69 -0.41 -0.21 1.25 4.57 -0.82 0.56 114.58 120.21 1ura h GLU 354 Ca 0.13 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1ura h GLU 354 Cb 0.49 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1ura h GLU 354 CO 0.03 -0.25 0.14 0.35 -1.18 0.00 0.00 179.01 178.09 1ura h PHE 355 N -0.45 0.27 -0.94 0.92 3.57 -1.29 -2.60 116.94 116.41 1ura h PHE 355 Ca -0.04 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.53 1ura h PHE 355 Cb 0.34 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 1ura h PHE 355 CO -0.05 0.17 0.60 0.00 -2.23 0.00 0.00 178.31 176.80 1ura h ALA 356 N 1.07 1.31 -0.74 2.41 0.00 -0.83 0.12 119.26 122.60 1ura h ALA 356 Ca 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1ura h ALA 356 Cb -0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1ura h ALA 356 CO -0.02 0.37 0.28 -0.22 0.00 0.00 0.00 179.25 179.66 1ura h LYS 357 N 1.08 1.12 0.03 0.00 3.64 -0.60 -1.24 116.57 120.60 1ura h LYS 357 Ca 0.41 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1ura h LYS 357 Cb 0.18 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ura h LYS 357 CO -0.18 0.92 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.69 1ura h LYS 358 N 1.07 -0.04 -0.55 1.90 3.64 -1.01 -3.33 116.57 118.25 1ura h LYS 358 Ca 0.24 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 1ura h LYS 358 Cb 0.23 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 1ura h LYS 358 CO -0.02 0.54 0.29 1.49 -2.27 0.00 0.00 179.45 179.48 1ura h GLU 359 N -0.65 0.54 0.00 1.90 4.57 -0.75 -3.47 114.58 116.72 1ura h GLU 359 Ca -0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1ura h GLU 359 Cb 0.60 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1ura h GLU 359 CO 0.01 0.36 0.00 0.41 -1.18 0.00 0.00 179.01 178.61 1ura n GLY 360 N -1.26 2.84 1.12 1.92 0.00 -0.47 -4.78 105.19 104.55 1ura n GLY 360 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 1ura n GLY 360 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ura n ASN 361 N 0.00 1.47 -4.36 1.61 3.02 -1.26 -4.83 115.26 110.92 1ura n ASN 361 Ca 0.00 -2.97 -0.33 0.00 -0.03 0.00 0.00 54.58 51.26 1ura n ASN 361 Cb 0.00 -0.42 -0.15 0.00 -0.61 0.00 0.00 39.78 38.61 1ura n ASN 361 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ura s THR 362 N -1.79 2.87 -0.25 3.41 2.01 -1.26 -0.33 115.64 120.28 1ura s THR 362 Ca 0.36 -0.74 -0.14 0.00 0.31 0.00 0.00 61.69 61.49 1ura s THR 362 Cb 0.38 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 1ura s THR 362 CO -0.11 0.54 0.31 -0.22 -0.69 0.00 0.00 174.62 174.45 1ura s LEU 363 N 0.22 4.07 -0.13 4.42 2.96 -0.58 -4.26 118.68 125.37 1ura s LEU 363 Ca -0.10 0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 54.06 1ura s LEU 363 Cb -0.16 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.18 1ura s LEU 363 CO 0.06 -0.10 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.17 1ura s VAL 364 N 1.71 3.10 -0.04 1.68 1.01 0.12 -1.20 120.40 126.79 1ura s VAL 364 Ca 0.13 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1ura s VAL 364 Cb -0.15 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1ura s VAL 364 CO 0.09 0.52 -0.15 -0.63 0.00 0.00 0.00 175.10 174.93 1ura s ILE 365 N 0.37 1.25 -0.13 2.22 1.01 -0.59 -1.20 121.20 124.11 1ura s ILE 365 Ca -0.10 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1ura s ILE 365 Cb -0.16 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.25 1ura s ILE 365 CO 0.05 0.37 -0.11 -0.69 0.00 0.00 0.00 174.94 174.56 1ura s VAL 366 N 0.14 1.34 0.00 2.92 1.01 -0.04 0.17 120.40 125.94 1ura s VAL 366 Ca -0.05 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1ura s VAL 366 Cb -0.11 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1ura s VAL 366 CO 0.02 0.42 0.00 1.07 0.00 0.00 0.00 175.10 176.61 1ura n THR 367 N 4.81 0.00 -4.26 3.92 5.66 -0.62 -1.62 114.28 122.17 1ura n THR 367 Ca -0.15 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.70 1ura n THR 367 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 1ura n THR 367 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ura s ALA 368 N -1.16 1.51 0.11 1.79 0.00 -1.26 -0.49 121.76 122.26 1ura s ALA 368 Ca 0.00 -1.52 -0.04 0.00 0.00 0.00 0.00 51.96 50.40 1ura s ALA 368 Cb 0.00 0.07 -0.17 0.00 0.00 0.00 0.00 23.12 23.02 1ura s ALA 368 CO 0.00 -0.10 1.23 0.38 0.00 0.00 0.00 175.76 177.27 1ura h ASP 369 N 2.74 0.46 -5.10 0.00 2.03 -1.92 -3.48 116.42 111.15 1ura h ASP 369 Ca -0.37 -0.42 0.11 0.00 -0.73 0.00 0.00 57.03 55.62 1ura h ASP 369 Cb 1.19 -0.14 -0.08 0.00 -0.83 0.00 0.00 39.33 39.47 1ura h ASP 369 CO 0.63 1.27 0.37 -1.38 -1.03 0.00 0.00 179.24 179.10 1ura s HIS 370 N -2.97 -0.22 0.58 4.15 -3.43 -1.26 -4.86 115.29 107.28 1ura s HIS 370 Ca -0.05 -0.11 -0.07 0.00 -0.80 0.00 0.00 55.06 54.04 1ura s HIS 370 Cb 0.08 0.64 -0.01 0.00 -1.43 0.00 0.00 32.58 31.87 1ura s HIS 370 CO 0.87 -0.94 0.91 0.00 -2.00 0.00 0.00 174.74 173.58 1ura s ALA 371 N -3.54 3.25 0.00 -1.38 0.00 -1.19 -3.65 121.76 115.25 1ura s ALA 371 Ca 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1ura s ALA 371 Cb -0.03 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1ura s ALA 371 CO 0.01 -0.71 0.00 1.58 0.00 0.00 0.00 175.76 176.64 1ura n HIS 372 N -2.57 0.00 0.08 0.00 -0.00 -1.24 -1.48 115.22 110.00 1ura n HIS 372 Ca 0.04 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.00 1ura n HIS 372 Cb 0.56 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.28 1ura n HIS 372 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ura h ALA 373 N 1.00 -0.05 -1.79 1.57 0.00 -1.87 -3.37 119.26 114.75 1ura h ALA 373 Ca 0.00 -0.86 -0.64 0.00 0.00 0.00 0.00 54.91 53.41 1ura h ALA 373 Cb 0.00 0.22 0.08 0.00 0.00 0.00 0.00 17.79 18.10 1ura h ALA 373 CO 0.00 0.62 0.24 -1.13 0.00 0.00 0.00 179.25 178.98 1ura n SER 374 N -3.91 1.33 -4.04 0.00 3.41 -1.26 -4.71 113.62 104.45 1ura n SER 374 Ca -0.18 1.15 -0.16 0.00 -0.26 0.00 0.00 58.87 59.42 1ura n SER 374 Cb 0.95 -1.23 -0.13 0.00 -0.26 0.00 0.00 64.21 63.55 1ura n SER 374 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ura s GLN 375 N -0.57 0.60 -0.23 4.33 -0.21 -0.24 -4.71 119.66 118.63 1ura s GLN 375 Ca 0.71 -0.54 -0.17 0.00 0.02 0.00 0.00 55.36 55.37 1ura s GLN 375 Cb -0.82 -0.50 -0.03 0.00 1.00 0.00 0.00 33.01 32.65 1ura s GLN 375 CO 0.53 0.12 0.46 0.42 -2.12 0.00 0.00 175.29 174.70 1ura s ILE 376 N -0.77 5.13 0.29 1.08 1.01 -1.26 -0.05 121.20 126.62 1ura s ILE 376 Ca -0.03 0.81 0.04 0.00 0.00 0.00 0.00 60.65 61.47 1ura s ILE 376 Cb -0.06 -3.78 -0.06 0.00 0.01 0.00 0.00 42.46 38.56 1ura s ILE 376 CO 0.00 0.17 0.01 0.68 0.00 0.00 0.00 174.94 175.81 1ura s VAL 377 N 1.79 1.25 0.48 2.92 -7.23 -0.21 -4.97 120.40 114.43 1ura s VAL 377 Ca 0.20 -2.04 -0.23 0.00 -1.81 0.00 0.00 61.98 58.10 1ura s VAL 377 Cb -0.15 -2.58 -0.08 0.00 0.56 0.00 0.00 36.38 34.13 1ura s VAL 377 CO 0.09 -0.17 1.20 0.00 -0.31 0.00 0.00 175.10 175.91 1ura n ALA 378 N -0.58 0.99 -0.28 1.32 0.00 -1.26 -3.83 120.51 116.86 1ura n ALA 378 Ca -0.04 0.19 0.06 0.00 0.00 0.00 0.00 53.44 53.66 1ura n ALA 378 Cb 0.65 -2.23 0.21 0.00 0.00 0.00 0.00 19.45 18.08 1ura n ALA 378 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ura h PRO 379 N 1.60 0.54 -0.87 0.00 0.11 -1.92 -1.68 132.00 129.79 1ura h PRO 379 Ca -0.48 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1ura h PRO 379 Cb 1.31 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1ura h PRO 379 CO 0.57 0.36 0.09 -0.40 -0.21 0.00 0.00 178.00 178.42 1ura n ASP 380 N -4.92 3.26 -4.72 -2.05 5.75 -1.26 -4.80 116.55 107.81 1ura n ASP 380 Ca 0.16 -2.53 -0.42 0.00 -0.01 0.00 0.00 54.79 51.99 1ura n ASP 380 Cb 0.43 -0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 39.88 1ura n ASP 380 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1ura s THR 381 N -1.73 4.00 -0.60 2.12 2.01 -0.63 -4.99 115.64 115.82 1ura s THR 381 Ca 0.26 1.53 -0.09 0.00 0.31 0.00 0.00 61.69 63.70 1ura s THR 381 Cb 0.20 -3.98 0.16 0.00 0.01 0.00 0.00 72.50 68.89 1ura s THR 381 CO 0.07 0.17 0.48 -0.54 -0.69 0.00 0.00 174.62 174.11 1ura s LYS 382 N 0.54 2.81 0.18 4.92 1.02 -1.26 -4.86 119.74 123.10 1ura s LYS 382 Ca 0.55 -2.12 0.05 0.00 0.02 0.00 0.00 55.97 54.46 1ura s LYS 382 Cb -0.29 -4.03 -0.04 0.00 -0.52 0.00 0.00 37.83 32.96 1ura s LYS 382 CO 0.31 -1.22 0.20 0.00 -0.92 0.00 0.00 175.35 173.72 1ura s ALA 383 N 0.73 3.70 -0.85 5.17 0.00 -1.26 -5.03 121.76 124.22 1ura s ALA 383 Ca 0.11 -1.21 0.26 0.00 0.00 0.00 0.00 51.96 51.13 1ura s ALA 383 Cb -0.21 -1.49 1.00 0.00 0.00 0.00 0.00 23.12 22.42 1ura s ALA 383 CO -0.03 0.45 1.82 -0.35 0.00 0.00 0.00 175.76 177.64 1ura n PRO 384 N -0.64 0.13 0.00 0.00 -0.04 -1.26 -4.55 135.00 128.64 1ura n PRO 384 Ca -0.08 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1ura n PRO 384 Cb 0.55 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1ura n PRO 384 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ura n GLY 385 N 1.23 2.56 3.78 0.55 0.00 -1.26 -5.01 105.19 107.04 1ura n GLY 385 Ca 0.06 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 43.98 1ura n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ura s LEU 386 N 0.00 4.29 0.07 0.99 2.01 0.15 -4.03 118.68 122.15 1ura s LEU 386 Ca 0.00 0.39 0.00 0.00 0.01 0.00 0.00 54.13 54.53 1ura s LEU 386 Cb 0.00 -2.16 -0.04 0.00 0.01 0.00 0.00 46.19 44.00 1ura s LEU 386 CO 0.00 0.25 -0.04 0.42 1.01 0.00 0.00 176.35 177.98 1ura s THR 387 N -0.14 0.42 -0.27 5.49 -4.23 0.03 -0.43 115.64 116.50 1ura s THR 387 Ca 0.12 -1.87 -0.23 0.00 -1.18 0.00 0.00 61.69 58.54 1ura s THR 387 Cb -0.12 -1.60 0.07 0.00 1.34 0.00 0.00 72.50 72.19 1ura s THR 387 CO 0.02 -0.93 0.72 -1.58 -0.54 0.00 0.00 174.62 172.31 1ura s GLN 388 N -3.89 0.80 -0.05 3.99 0.74 -0.94 -2.08 119.66 118.23 1ura s GLN 388 Ca 0.09 1.04 -0.12 0.00 0.05 0.00 0.00 55.36 56.42 1ura s GLN 388 Cb 0.07 0.34 -0.05 0.00 1.10 0.00 0.00 33.01 34.47 1ura s GLN 388 CO -0.07 -0.11 0.32 0.00 -0.55 0.00 0.00 175.29 174.88 1ura s ALA 389 N 0.66 3.74 -0.01 1.58 0.00 -1.26 -1.47 121.76 125.00 1ura s ALA 389 Ca -0.02 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.63 1ura s ALA 389 Cb -0.05 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 1ura s ALA 389 CO -0.04 0.48 -0.15 -0.51 0.00 0.00 0.00 175.76 175.54 1ura s LEU 390 N -0.91 2.04 -0.43 0.00 1.43 1.00 -0.30 118.68 121.51 1ura s LEU 390 Ca 0.21 -0.29 -0.25 0.00 -1.03 0.00 0.00 54.13 52.77 1ura s LEU 390 Cb -0.15 -0.77 0.02 0.00 0.03 0.00 0.00 46.19 45.32 1ura s LEU 390 CO 0.10 0.18 0.90 0.20 0.23 0.00 0.00 176.35 177.96 1ura s ASN 391 N -0.41 6.54 0.75 2.29 0.02 0.58 -1.40 114.94 123.31 1ura s ASN 391 Ca 0.06 0.24 -0.07 0.00 -1.02 0.00 0.00 52.86 52.06 1ura s ASN 391 Cb -0.06 -2.44 0.09 0.00 0.02 0.00 0.00 41.25 38.86 1ura s ASN 391 CO -0.00 -0.96 1.06 0.42 0.02 0.00 0.00 177.10 177.63 1ura s THR 392 N 3.59 2.21 0.50 1.60 -4.23 -0.46 -4.82 115.64 114.04 1ura s THR 392 Ca 0.36 -0.27 0.38 0.00 -1.18 0.00 0.00 61.69 60.97 1ura s THR 392 Cb -0.11 -2.93 0.40 0.00 1.34 0.00 0.00 72.50 71.20 1ura s THR 392 CO 0.23 0.00 2.23 0.50 -0.54 0.00 0.00 174.62 177.04 1ura h LYS 393 N -0.76 0.00 0.00 3.99 1.63 -1.38 0.05 116.57 120.10 1ura h LYS 393 Ca -0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1ura h LYS 393 Cb 1.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1ura h LYS 393 CO 0.54 0.02 0.00 -0.25 -3.45 0.00 0.00 179.45 176.31 1ura n ASP 394 N -3.27 0.00 -0.27 4.20 8.00 -1.26 -4.88 116.55 119.07 1ura n ASP 394 Ca -0.02 0.18 -0.03 0.00 0.71 0.00 0.00 54.79 55.63 1ura n ASP 394 Cb 0.15 -0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 40.85 1ura n ASP 394 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ura n GLY 395 N 1.38 0.52 3.51 0.44 0.00 0.00 -5.02 105.19 106.02 1ura n GLY 395 Ca 0.11 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 1ura n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ura s ALA 396 N -2.13 2.74 -0.11 4.61 0.00 -1.26 -4.93 121.76 120.68 1ura s ALA 396 Ca 0.00 -2.06 -0.12 0.00 0.00 0.00 0.00 51.96 49.79 1ura s ALA 396 Cb 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1ura s ALA 396 CO 0.00 -0.02 0.26 0.08 0.00 0.00 0.00 175.76 176.08 1ura s VAL 397 N -2.81 5.30 -0.05 0.00 1.01 -1.26 -1.35 120.40 121.25 1ura s VAL 397 Ca 0.32 0.49 0.05 0.00 0.00 0.00 0.00 61.98 62.84 1ura s VAL 397 Cb 0.04 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 1ura s VAL 397 CO 0.15 0.51 -0.20 -0.32 0.00 0.00 0.00 175.10 175.25 1ura s MET 398 N -0.39 2.07 -0.14 2.72 0.00 -0.49 -4.88 119.30 118.18 1ura s MET 398 Ca 0.17 -0.70 -0.02 0.00 0.00 0.00 0.00 55.69 55.14 1ura s MET 398 Cb -0.13 -1.76 -0.02 0.00 0.00 0.00 0.00 34.83 32.91 1ura s MET 398 CO 0.06 0.27 -0.07 0.08 0.00 0.00 0.00 175.02 175.36 1ura s VAL 399 N 0.02 3.57 -0.08 10.11 1.01 -1.25 -0.00 120.40 133.78 1ura s VAL 399 Ca -0.05 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1ura s VAL 399 Cb -0.13 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1ura s VAL 399 CO 0.03 0.51 -0.07 -0.04 0.00 0.00 0.00 175.10 175.53 1ura s MET 400 N 0.34 2.86 0.00 2.72 -1.94 -0.54 -1.04 119.30 121.70 1ura s MET 400 Ca -0.07 -0.55 0.08 0.00 -1.71 0.00 0.00 55.69 53.44 1ura s MET 400 Cb -0.15 -2.62 -0.02 0.00 2.01 0.00 0.00 34.83 34.05 1ura s MET 400 CO 0.04 0.60 -0.24 0.45 -0.01 0.00 0.00 175.02 175.86 1ura s SER 401 N -0.64 2.84 -0.28 3.03 0.15 0.92 -2.21 113.70 117.52 1ura s SER 401 Ca 0.10 -0.48 -0.01 0.00 0.70 0.00 0.00 55.95 56.26 1ura s SER 401 Cb -0.11 -0.29 0.09 0.00 -1.71 0.00 0.00 66.02 63.99 1ura s SER 401 CO 0.02 0.27 0.06 -0.31 1.20 0.00 0.00 173.24 174.48 1ura s TYR 402 N -0.65 1.74 -0.16 3.44 1.51 0.42 -1.08 117.35 122.58 1ura s TYR 402 Ca 0.10 -1.61 0.22 0.00 -1.01 0.00 0.00 57.07 54.77 1ura s TYR 402 Cb -0.09 -1.60 0.47 0.00 -0.11 0.00 0.00 41.96 40.62 1ura s TYR 402 CO 0.00 -0.81 1.15 0.41 -1.11 0.00 0.00 175.55 175.19 1ura n GLY 403 N 4.84 2.03 0.67 0.71 0.00 -1.26 -0.68 105.19 111.50 1ura n GLY 403 Ca -0.05 -1.11 0.06 0.00 0.00 0.00 0.00 46.02 44.92 1ura n GLY 403 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ura n ASN 404 N -0.20 2.82 -3.56 1.61 0.23 -1.26 -4.85 115.26 110.05 1ura n ASN 404 Ca 0.10 -1.90 -0.17 0.00 -0.53 0.00 0.00 54.58 52.08 1ura n ASN 404 Cb 0.94 -0.20 -0.06 0.00 -2.08 0.00 0.00 39.78 38.38 1ura n ASN 404 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1ura s SER 405 N -1.01 -0.59 -0.04 0.53 0.15 -1.26 -4.62 113.70 106.85 1ura s SER 405 Ca 0.24 0.65 0.08 0.00 0.70 0.00 0.00 55.95 57.61 1ura s SER 405 Cb 0.13 0.54 -0.11 0.00 -1.71 0.00 0.00 66.02 64.87 1ura s SER 405 CO 0.17 -0.57 0.10 -0.62 1.20 0.00 0.00 173.24 173.53 1ura n GLU 406 N 1.04 1.51 -0.16 5.44 1.02 -1.26 -4.92 120.64 123.31 1ura n GLU 406 Ca -0.19 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 1ura n GLU 406 Cb 0.57 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1ura n GLU 406 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ura n GLU 407 N -2.04 0.44 -0.16 3.49 -0.58 -1.26 -4.98 120.64 115.55 1ura n GLU 407 Ca -0.07 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.70 1ura n GLU 407 Cb 0.49 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.42 1ura n GLU 407 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1ura n ASP 408 N -2.40 -0.15 -3.65 1.62 9.92 -1.26 -4.76 116.55 115.87 1ura n ASP 408 Ca 0.00 0.75 -0.01 0.00 -0.53 0.00 0.00 54.79 55.00 1ura n ASP 408 Cb 0.00 -0.23 -0.07 0.00 -0.64 0.00 0.00 41.12 40.18 1ura n ASP 408 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1ura s SER 409 N -5.11 -0.02 0.32 -2.24 1.04 -1.26 -4.93 113.70 101.50 1ura s SER 409 Ca -0.07 0.03 -0.27 0.00 0.48 0.00 0.00 55.95 56.12 1ura s SER 409 Cb 0.12 0.28 -0.09 0.00 0.10 0.00 0.00 66.02 66.43 1ura s SER 409 CO 0.34 -0.00 1.00 -1.10 0.98 0.00 0.00 173.24 174.46 1ura s GLN 410 N 0.27 4.55 0.62 4.02 -1.52 -0.21 -4.83 119.66 122.56 1ura s GLN 410 Ca 0.04 1.50 -0.13 0.00 -1.95 0.00 0.00 55.36 54.82 1ura s GLN 410 Cb -0.04 -2.92 -0.03 0.00 -0.22 0.00 0.00 33.01 29.80 1ura s GLN 410 CO -0.15 0.22 1.04 -1.21 -0.25 0.00 0.00 175.29 174.94 1ura s GLU 411 N -1.86 3.40 0.82 2.91 8.01 -1.26 -4.54 118.70 126.18 1ura s GLU 411 Ca 0.49 0.92 -0.12 0.00 0.01 0.00 0.00 54.97 56.27 1ura s GLU 411 Cb -0.24 -2.05 0.08 0.00 -4.31 0.00 0.00 34.13 27.61 1ura s GLU 411 CO 0.30 -0.73 1.13 -1.01 0.01 0.00 0.00 175.26 174.96 1ura s HIS 412 N -2.94 2.86 0.13 1.61 3.76 -1.26 -3.10 115.29 116.35 1ura s HIS 412 Ca 0.58 0.95 0.06 0.00 -0.15 0.00 0.00 55.06 56.49 1ura s HIS 412 Cb -0.13 -3.28 -0.04 0.00 1.11 0.00 0.00 32.58 30.25 1ura s HIS 412 CO 0.48 -1.84 -0.13 0.95 -0.85 0.00 0.00 174.74 173.35 1ura s THR 413 N -3.33 1.30 -2.15 1.30 -4.23 -0.55 -4.84 115.64 103.14 1ura s THR 413 Ca 0.61 -1.79 0.17 0.00 -1.18 0.00 0.00 61.69 59.50 1ura s THR 413 Cb -0.13 -1.59 0.40 0.00 1.34 0.00 0.00 72.50 72.51 1ura s THR 413 CO 0.52 -0.49 1.42 0.61 -0.54 0.00 0.00 174.62 176.14 1ura n GLY 414 N 0.37 0.53 3.74 3.99 0.00 -1.26 -3.20 105.19 109.36 1ura n GLY 414 Ca -0.14 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1ura n GLY 414 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ura n SER 415 N 0.48 3.35 -4.74 1.61 2.88 -1.26 -4.84 113.62 111.10 1ura n SER 415 Ca 0.15 1.21 -0.35 0.00 -1.33 0.00 0.00 58.87 58.55 1ura n SER 415 Cb 0.33 -1.56 0.07 0.00 -0.75 0.00 0.00 64.21 62.30 1ura n SER 415 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ura s GLN 416 N -1.77 2.47 0.21 -1.46 -2.07 -1.26 -4.37 119.66 111.42 1ura s GLN 416 Ca 0.56 1.74 -0.01 0.00 -1.82 0.00 0.00 55.36 55.83 1ura s GLN 416 Cb -0.52 -1.88 -0.04 0.00 -1.09 0.00 0.00 33.01 29.48 1ura s GLN 416 CO 0.61 -1.57 0.16 -0.48 -1.32 0.00 0.00 175.29 172.69 1ura s LEU 417 N -4.79 1.14 0.27 2.60 0.05 -1.10 -4.90 118.68 111.97 1ura s LEU 417 Ca 0.74 -1.39 -0.30 0.00 0.05 0.00 0.00 54.13 53.24 1ura s LEU 417 Cb -0.29 0.48 -0.10 0.00 -2.05 0.00 0.00 46.19 44.23 1ura s LEU 417 CO 0.41 -0.88 1.46 -0.60 -0.55 0.00 0.00 176.35 176.20 1ura s ARG 418 N -4.10 4.24 -0.06 1.48 3.52 -1.26 -1.44 118.95 121.34 1ura s ARG 418 Ca 0.38 2.37 0.01 0.00 -0.13 0.00 0.00 55.73 58.35 1ura s ARG 418 Cb 0.06 -3.08 0.02 0.00 -1.56 0.00 0.00 34.95 30.39 1ura s ARG 418 CO 0.13 -0.45 -0.05 -1.50 -0.81 0.00 0.00 175.30 172.62 1ura s ILE 419 N -0.16 0.63 0.10 4.11 2.07 -0.57 -4.30 121.20 123.08 1ura s ILE 419 Ca 0.59 -0.15 0.07 0.00 -1.41 0.00 0.00 60.65 59.75 1ura s ILE 419 Cb -0.43 -0.66 -0.03 0.00 0.13 0.00 0.00 42.46 41.47 1ura s ILE 419 CO 0.46 0.26 -0.17 0.00 -1.91 0.00 0.00 174.94 173.58 1ura s ALA 420 N 1.09 1.55 0.19 1.50 0.00 -0.64 -1.10 121.76 124.35 1ura s ALA 420 Ca -0.08 -1.19 -0.09 0.00 0.00 0.00 0.00 51.96 50.59 1ura s ALA 420 Cb -0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1ura s ALA 420 CO -0.01 0.24 0.33 0.00 0.00 0.00 0.00 175.76 176.31 1ura s ALA 421 N -1.46 0.03 -0.19 0.00 0.00 0.22 -0.86 121.76 119.50 1ura s ALA 421 Ca 0.05 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 50.90 1ura s ALA 421 Cb -0.09 0.97 0.05 0.00 0.00 0.00 0.00 23.12 24.06 1ura s ALA 421 CO 0.04 -0.70 0.49 -0.47 0.00 0.00 0.00 175.76 175.12 1ura s TYR 422 N -4.00 -0.59 0.00 0.00 5.04 -0.34 -2.82 117.35 114.64 1ura s TYR 422 Ca 0.21 1.38 0.00 0.00 -2.44 0.00 0.00 57.07 56.21 1ura s TYR 422 Cb 0.03 0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.57 1ura s TYR 422 CO 0.03 -0.29 0.00 0.41 -1.34 0.00 0.00 175.55 174.36 1ura n GLY 423 N 3.17 -0.60 3.75 8.97 0.00 -1.26 -0.70 105.19 118.52 1ura n GLY 423 Ca -0.16 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.23 1ura n GLY 423 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ura s PRO 424 N -0.12 4.12 -0.00 1.61 0.02 -1.26 -2.60 135.00 136.76 1ura s PRO 424 Ca 0.00 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1ura s PRO 424 Cb 0.00 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.50 1ura s PRO 424 CO 0.00 -0.64 0.00 0.72 -0.33 0.00 0.00 177.00 176.75 1ura n HIS 425 N 2.21 0.00 0.26 6.54 8.25 -0.12 -4.68 115.22 127.68 1ura n HIS 425 Ca 0.08 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.67 1ura n HIS 425 Cb 0.37 -0.84 0.72 0.00 1.12 0.00 0.00 29.99 31.37 1ura n HIS 425 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ura h ALA 426 N 0.00 1.33 -0.28 -1.41 0.00 -1.75 -2.69 119.26 114.45 1ura h ALA 426 Ca -0.00 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1ura h ALA 426 Cb 0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ura h ALA 426 CO 0.00 0.14 0.31 0.00 0.00 0.00 0.00 179.25 179.70 1ura h ALA 427 N 1.89 1.95 0.00 0.00 0.00 -1.89 -2.00 119.26 119.20 1ura h ALA 427 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ura h ALA 427 Cb 0.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ura h ALA 427 CO 0.01 -0.45 0.00 0.09 0.00 0.00 0.00 179.25 178.90 1ura n ASN 428 N -3.77 0.00 -0.09 0.00 3.02 -1.02 -1.87 115.26 111.53 1ura n ASN 428 Ca 0.04 -0.72 0.05 0.00 -0.03 0.00 0.00 54.58 53.91 1ura n ASN 428 Cb 0.45 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 1ura n ASN 428 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1ura n VAL 429 N -0.78 0.00 -2.62 2.41 0.24 -0.75 -4.97 118.33 111.86 1ura n VAL 429 Ca 0.07 -0.33 -0.36 0.00 -2.04 0.00 0.00 64.34 61.68 1ura n VAL 429 Cb 0.03 1.05 -0.05 0.00 -1.47 0.00 0.00 33.84 33.40 1ura n VAL 429 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1ura s VAL 430 N -1.67 3.89 0.00 3.34 1.01 -0.78 -3.48 120.40 122.70 1ura s VAL 430 Ca 0.05 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.48 1ura s VAL 430 Cb 0.07 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1ura s VAL 430 CO 0.33 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1ura n GLY 431 N 0.30 -1.61 3.69 4.51 0.00 -1.25 -4.79 105.19 106.04 1ura n GLY 431 Ca 0.04 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 1ura n GLY 431 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ura s LEU 432 N 0.00 4.21 0.28 0.99 2.96 -1.26 -1.68 118.68 124.17 1ura s LEU 432 Ca 0.00 0.67 0.04 0.00 -0.22 0.00 0.00 54.13 54.62 1ura s LEU 432 Cb 0.00 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 1ura s LEU 432 CO 0.00 -0.06 0.22 0.42 -1.32 0.00 0.00 176.35 175.61 1ura s THR 433 N 1.06 0.02 0.16 3.68 -4.23 -0.90 -5.01 115.64 110.42 1ura s THR 433 Ca 0.23 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.81 1ura s THR 433 Cb -0.15 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 1ura s THR 433 CO 0.09 0.00 -0.03 -0.62 -0.54 0.00 0.00 174.62 173.52 1ura s ASP 434 N -3.29 4.66 0.47 3.99 2.15 -1.26 -1.30 116.67 122.09 1ura s ASP 434 Ca 0.40 -0.41 0.18 0.00 0.43 0.00 0.00 52.55 53.14 1ura s ASP 434 Cb 0.04 -0.96 1.17 0.00 -0.30 0.00 0.00 42.92 42.88 1ura s ASP 434 CO 0.21 0.10 2.00 -0.61 -0.17 0.00 0.00 175.17 176.70 1ura h GLN 435 N 2.86 0.23 0.00 4.34 4.15 -1.46 0.47 115.11 125.70 1ura h GLN 435 Ca -0.47 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 58.86 1ura h GLN 435 Cb 1.20 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 1ura h GLN 435 CO 0.57 0.15 -0.37 1.79 -1.93 0.00 0.00 178.83 179.04 1ura h THR 436 N 0.24 1.15 -0.42 2.39 1.35 -1.85 -2.45 112.91 113.32 1ura h THR 436 Ca 0.25 -1.31 0.02 0.00 -0.55 0.00 0.00 66.41 64.82 1ura h THR 436 Cb 0.67 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 1ura h THR 436 CO -0.05 0.36 0.28 0.44 -0.25 0.00 0.00 175.52 176.30 1ura h ASP 437 N 0.00 0.43 -0.69 5.36 3.32 -1.22 -1.73 116.42 121.88 1ura h ASP 437 Ca -0.00 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.08 1ura h ASP 437 Cb 0.70 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 1ura h ASP 437 CO 0.05 0.30 0.46 0.25 -1.72 0.00 0.00 179.24 178.57 1ura h LEU 438 N 0.50 0.70 0.21 1.55 5.85 -1.47 0.15 115.31 122.79 1ura h LEU 438 Ca 0.16 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1ura h LEU 438 Cb 0.04 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1ura h LEU 438 CO -0.04 0.48 -0.10 0.15 -0.34 0.00 0.00 178.44 178.59 1ura h PHE 439 N 0.81 -0.26 -0.42 1.25 3.57 -1.36 -0.98 116.94 119.54 1ura h PHE 439 Ca 0.28 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1ura h PHE 439 Cb 0.10 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1ura h PHE 439 CO -0.00 -0.10 0.18 1.88 -2.23 0.00 0.00 178.31 178.05 1ura h TYR 440 N -0.37 0.58 -0.03 0.41 0.05 -1.30 -0.05 116.97 116.25 1ura h TYR 440 Ca -0.03 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 1ura h TYR 440 Cb 0.29 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 1ura h TYR 440 CO -0.04 0.45 0.00 1.15 -1.05 0.00 0.00 178.16 178.67 1ura h THR 441 N 0.59 1.22 -0.58 -2.88 2.02 -0.48 -0.56 112.91 112.25 1ura h THR 441 Ca 0.15 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 1ura h THR 441 Cb 0.10 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 1ura h THR 441 CO -0.02 0.18 0.22 0.24 0.37 0.00 0.00 175.52 176.51 1ura h MET 442 N -0.21 0.87 -0.22 6.66 2.86 -0.85 0.10 114.93 124.14 1ura h MET 442 Ca 0.01 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1ura h MET 442 Cb 0.28 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1ura h MET 442 CO 0.00 0.75 0.12 -0.22 1.06 0.00 0.00 176.91 178.63 1ura h LYS 443 N 0.80 0.25 -0.34 1.72 3.64 -0.91 -2.07 116.57 119.66 1ura h LYS 443 Ca 0.19 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1ura h LYS 443 Cb 0.22 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1ura h LYS 443 CO -0.01 0.17 -0.01 0.00 -2.27 0.00 0.00 179.45 177.32 1ura h ALA 444 N 1.10 0.46 -0.96 5.00 0.00 -0.87 -1.01 119.26 122.98 1ura h ALA 444 Ca 0.09 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1ura h ALA 444 Cb -0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1ura h ALA 444 CO -0.04 0.23 0.62 0.00 0.00 0.00 0.00 179.25 180.06 1ura h ALA 445 N 0.85 1.27 -0.00 0.00 0.00 -0.84 -0.79 119.26 119.75 1ura h ALA 445 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ura h ALA 445 Cb 0.47 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ura h ALA 445 CO 0.02 0.50 -0.07 1.28 0.00 0.00 0.00 179.25 180.98 1ura n LEU 446 N -4.48 0.13 -1.60 0.00 4.32 -0.79 -1.10 117.00 113.48 1ura n LEU 446 Ca 0.13 0.30 -0.15 0.00 -0.02 0.00 0.00 56.01 56.27 1ura n LEU 446 Cb 0.10 -0.36 -0.01 0.00 -1.62 0.00 0.00 43.42 41.52 1ura n LEU 446 CO 0.34 0.03 -0.18 0.61 -1.22 0.00 0.00 177.39 176.97 1ura n GLY 447 N 1.40 -0.01 3.68 -0.72 0.00 -0.30 -4.94 105.19 104.31 1ura n GLY 447 Ca 0.10 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1ura n GLY 447 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ura s LEU 448 N -4.11 4.29 0.00 0.99 1.02 -0.47 -5.02 118.68 115.37 1ura s LEU 448 Ca 0.00 2.01 0.00 0.00 0.02 0.00 0.00 54.13 56.16 1ura s LEU 448 Cb 0.00 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.66 1ura s LEU 448 CO 0.00 -0.72 0.03 2.29 0.02 0.00 0.00 176.35 177.97