#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bam s GLU 2 N 0.00 1.90 -0.37 2.12 0.41 0.23 -4.44 118.70 118.56 1bam s GLU 2 Ca 0.00 -1.11 -0.17 0.00 -0.41 0.00 0.00 54.97 53.29 1bam s GLU 2 Cb 0.00 -2.16 -0.00 0.00 -1.78 0.00 0.00 34.13 30.19 1bam s GLU 2 CO 0.00 0.50 0.43 0.08 -0.49 0.00 0.00 175.26 175.78 1bam s VAL 3 N -1.09 5.10 -0.22 2.63 1.01 -1.26 -0.32 120.40 126.25 1bam s VAL 3 Ca 0.17 0.02 0.12 0.00 0.00 0.00 0.00 61.98 62.30 1bam s VAL 3 Cb -0.11 -3.92 -0.22 0.00 0.00 0.00 0.00 36.38 32.13 1bam s VAL 3 CO 0.09 -0.22 -0.03 1.21 0.00 0.00 0.00 175.10 176.15 1bam n GLU 4 N 5.55 0.68 -4.11 2.72 2.13 0.58 -4.94 120.64 123.25 1bam n GLU 4 Ca -0.07 0.05 -0.15 0.00 0.66 0.00 0.00 57.16 57.65 1bam n GLU 4 Cb 0.49 -1.52 -0.11 0.00 0.27 0.00 0.00 31.44 30.56 1bam n GLU 4 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1bam s LYS 5 N -2.50 0.66 -0.21 5.31 1.02 -0.93 -5.00 119.74 118.09 1bam s LYS 5 Ca -0.19 -0.88 -0.15 0.00 0.02 0.00 0.00 55.97 54.77 1bam s LYS 5 Cb 0.07 -0.47 0.06 0.00 -0.52 0.00 0.00 37.83 36.97 1bam s LYS 5 CO 0.75 0.09 0.53 -2.00 -0.92 0.00 0.00 175.35 173.80 1bam s GLU 6 N -1.85 0.57 -0.13 1.68 2.12 -1.26 -0.15 118.70 119.68 1bam s GLU 6 Ca -0.05 0.86 0.02 0.00 0.36 0.00 0.00 54.97 56.16 1bam s GLU 6 Cb -0.09 0.17 0.01 0.00 0.26 0.00 0.00 34.13 34.48 1bam s GLU 6 CO 0.01 -0.12 -0.20 0.12 -0.54 0.00 0.00 175.26 174.53 1bam s PHE 7 N 0.90 2.48 -0.10 5.30 5.36 0.56 -4.97 117.98 127.52 1bam s PHE 7 Ca -0.05 -1.24 0.01 0.00 -0.96 0.00 0.00 56.93 54.68 1bam s PHE 7 Cb -0.05 -1.71 0.02 0.00 -0.34 0.00 0.00 43.02 40.94 1bam s PHE 7 CO -0.08 -0.58 -0.09 0.42 -1.46 0.00 0.00 175.22 173.43 1bam s ILE 8 N 0.89 1.07 0.82 3.12 1.01 -1.26 0.21 121.20 127.05 1bam s ILE 8 Ca -0.06 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 1bam s ILE 8 Cb -0.15 -1.04 0.08 0.00 0.01 0.00 0.00 42.46 41.36 1bam s ILE 8 CO -0.02 0.36 1.09 0.42 0.00 0.00 0.00 174.94 176.79 1bam s THR 9 N 1.32 3.07 0.34 2.92 -4.23 -0.71 -4.81 115.64 113.54 1bam s THR 9 Ca -0.02 0.35 0.03 0.00 -1.18 0.00 0.00 61.69 60.87 1bam s THR 9 Cb -0.14 -2.85 0.28 0.00 1.34 0.00 0.00 72.50 71.13 1bam s THR 9 CO -0.04 -0.46 1.95 0.44 -0.54 0.00 0.00 174.62 175.97 1bam h ASP 10 N -1.28 0.76 0.51 3.99 3.32 -1.92 -0.99 116.42 120.82 1bam h ASP 10 Ca -0.46 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.50 1bam h ASP 10 Cb 1.25 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1bam h ASP 10 CO 0.53 0.50 -0.41 -0.33 -1.72 0.00 0.00 179.24 177.82 1bam h GLU 11 N 0.87 0.00 -0.01 3.56 3.07 -1.91 -1.64 114.58 118.53 1bam h GLU 11 Ca 0.33 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.93 1bam h GLU 11 Cb 0.18 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.11 1bam h GLU 11 CO -0.11 0.41 -1.00 0.00 -1.40 0.00 0.00 179.01 176.91 1bam h ALA 12 N 1.59 0.20 -0.29 3.43 0.00 -1.44 -2.48 119.26 120.27 1bam h ALA 12 Ca -0.00 -0.69 0.01 0.00 0.00 0.00 0.00 54.91 54.23 1bam h ALA 12 Cb 0.77 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1bam h ALA 12 CO 0.05 0.72 0.16 0.87 0.00 0.00 0.00 179.25 181.05 1bam h LYS 13 N 0.37 0.33 -0.21 0.00 1.57 -0.92 0.15 116.57 117.86 1bam h LYS 13 Ca -0.11 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1bam h LYS 13 Cb 1.65 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.87 1bam h LYS 13 CO 0.19 0.22 0.08 0.93 -0.57 0.00 0.00 179.45 180.30 1bam h GLU 14 N 0.34 0.32 -0.66 3.15 5.08 -1.37 -1.34 114.58 120.10 1bam h GLU 14 Ca 0.12 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1bam h GLU 14 Cb 0.01 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1bam h GLU 14 CO -0.06 0.38 0.43 1.25 -1.00 0.00 0.00 179.01 180.01 1bam h LEU 15 N 0.19 0.74 -0.31 1.33 5.85 -1.16 -2.63 115.31 119.32 1bam h LEU 15 Ca 0.07 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1bam h LEU 15 Cb 0.19 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1bam h LEU 15 CO -0.01 0.53 0.04 -0.07 -0.34 0.00 0.00 178.44 178.60 1bam h LEU 16 N 0.88 0.49 0.00 2.25 3.38 -0.60 -1.00 115.31 120.71 1bam h LEU 16 Ca 0.25 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1bam h LEU 16 Cb -0.08 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1bam h LEU 16 CO -0.06 0.64 0.00 -1.54 0.09 0.00 0.00 178.44 177.57 1bam n SER 17 N -4.61 0.00 0.00 -0.43 3.41 -0.52 -3.19 113.62 108.28 1bam n SER 17 Ca -0.02 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 1bam n SER 17 Cb 0.22 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1bam n SER 17 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1bam n LYS 18 N -1.07 0.46 -3.84 4.33 2.85 -1.02 -4.99 118.16 114.88 1bam n LYS 18 Ca 0.10 -0.07 -0.30 0.00 -1.05 0.00 0.00 58.31 56.98 1bam n LYS 18 Cb 0.06 -0.43 -0.15 0.00 -0.65 0.00 0.00 35.03 33.86 1bam n LYS 18 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1bam s ASP 19 N -0.09 4.22 0.17 -5.58 -1.08 -0.40 -5.02 116.67 108.89 1bam s ASP 19 Ca 0.00 -2.13 -0.19 0.00 -0.52 0.00 0.00 52.55 49.71 1bam s ASP 19 Cb 0.00 -1.21 0.09 0.00 -1.46 0.00 0.00 42.92 40.34 1bam s ASP 19 CO 0.00 -0.36 1.65 0.11 0.52 0.00 0.00 175.17 177.09 1bam h LYS 20 N 7.51 -0.09 0.00 4.34 1.57 -1.86 0.53 116.57 128.57 1bam h LYS 20 Ca -0.08 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1bam h LYS 20 Cb 0.99 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1bam h LYS 20 CO 0.51 -0.06 -0.24 -0.07 -0.57 0.00 0.00 179.45 179.02 1bam h LEU 21 N -0.09 0.00 -0.06 2.94 3.38 -1.96 0.44 115.31 119.96 1bam h LEU 21 Ca 0.19 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.91 1bam h LEU 21 Cb 0.38 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.15 1bam h LEU 21 CO -0.44 0.24 -0.91 0.40 0.09 0.00 0.00 178.44 177.82 1bam h ILE 22 N 0.00 1.28 -0.99 1.22 5.03 -1.66 -2.17 117.51 120.22 1bam h ILE 22 Ca -0.00 -2.12 0.06 0.00 -0.12 0.00 0.00 64.86 62.68 1bam h ILE 22 Cb 0.45 2.22 -0.06 0.00 -3.03 0.00 0.00 36.82 36.39 1bam h ILE 22 CO 0.03 0.66 0.65 -0.61 -0.68 0.00 0.00 178.15 178.20 1bam h GLN 23 N 0.43 1.15 -0.37 2.37 5.75 -0.43 -1.37 115.11 122.65 1bam h GLN 23 Ca -0.10 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.30 1bam h GLN 23 Cb 1.56 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 29.83 1bam h GLN 23 CO 0.18 0.76 0.09 0.37 -2.65 0.00 0.00 178.83 177.59 1bam h GLN 24 N 1.19 0.59 -0.72 1.69 4.15 -0.68 -0.34 115.11 120.98 1bam h GLN 24 Ca 0.42 -0.14 0.03 0.00 0.77 0.00 0.00 58.65 59.73 1bam h GLN 24 Cb 0.12 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.69 1bam h GLN 24 CO -0.16 0.63 0.45 0.00 -1.93 0.00 0.00 178.83 177.82 1bam h ALA 25 N 0.94 0.95 -0.56 3.38 0.00 -0.73 -0.35 119.26 122.89 1bam h ALA 25 Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1bam h ALA 25 Cb 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1bam h ALA 25 CO 0.00 0.22 0.23 -0.92 0.00 0.00 0.00 179.25 178.78 1bam h TYR 26 N 0.87 0.85 -0.61 0.00 3.20 -1.02 -1.75 116.97 118.51 1bam h TYR 26 Ca 0.29 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1bam h TYR 26 Cb 0.04 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 1bam h TYR 26 CO -0.04 0.68 0.32 -0.91 -1.64 0.00 0.00 178.16 176.57 1bam h ASN 27 N 0.76 0.75 -0.01 -2.11 2.35 -0.21 -0.96 115.58 116.15 1bam h ASN 27 Ca 0.19 -0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.75 1bam h ASN 27 Cb 0.19 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1bam h ASN 27 CO -0.02 0.62 -0.40 -0.33 -1.65 0.00 0.00 177.43 175.65 1bam h GLU 28 N 0.85 0.52 -0.01 0.81 5.08 -0.68 -1.40 114.58 119.74 1bam h GLU 28 Ca 0.21 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1bam h GLU 28 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1bam h GLU 28 CO -0.03 0.84 -0.00 0.28 -1.00 0.00 0.00 179.01 179.09 1bam h VAL 29 N 0.43 1.29 -0.90 3.13 2.07 -0.45 -1.01 116.25 120.81 1bam h VAL 29 Ca 0.04 -0.86 0.09 0.00 0.82 0.00 0.00 66.70 66.78 1bam h VAL 29 Cb 0.89 1.85 -0.06 0.00 -1.52 0.00 0.00 31.29 32.44 1bam h VAL 29 CO 0.08 0.23 0.58 0.11 0.02 0.00 0.00 177.57 178.59 1bam h LYS 30 N -0.33 0.91 -0.40 1.57 1.57 -1.07 -1.83 116.57 116.99 1bam h LYS 30 Ca 0.00 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1bam h LYS 30 Cb 0.37 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1bam h LYS 30 CO 0.00 0.60 -0.34 1.15 -0.57 0.00 0.00 179.45 180.30 1bam h THR 31 N 0.94 1.27 0.00 -0.16 2.02 -1.11 -1.48 112.91 114.39 1bam h THR 31 Ca 0.41 -1.51 -0.04 0.00 0.77 0.00 0.00 66.41 66.04 1bam h THR 31 Cb 0.34 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1bam h THR 31 CO -0.17 0.51 -0.21 0.28 0.37 0.00 0.00 175.52 176.29 1bam h SER 32 N 0.77 0.00 0.93 4.18 0.02 -0.40 -0.55 113.55 118.50 1bam h SER 32 Ca 0.07 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1bam h SER 32 Cb 0.92 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1bam h SER 32 CO 0.09 0.21 -1.11 -0.29 -1.14 0.00 0.00 176.83 174.59 1bam h ILE 33 N 0.00 0.21 0.00 3.27 6.09 -1.19 -3.34 117.51 122.55 1bam h ILE 33 Ca -0.00 -1.40 -0.22 0.00 -1.37 0.00 0.00 64.86 61.86 1bam h ILE 33 Cb 0.53 1.74 -0.03 0.00 0.47 0.00 0.00 36.82 39.52 1bam h ILE 33 CO 0.03 0.12 -1.21 0.00 -3.07 0.00 0.00 178.15 174.02 1bam h SER 35 N 0.00 0.07 -3.13 0.00 0.02 -1.23 0.30 113.55 109.59 1bam h SER 35 Ca -0.11 -0.01 -0.57 0.00 -0.84 0.00 0.00 61.79 60.26 1bam h SER 35 Cb 1.79 -0.02 0.10 0.00 0.14 0.00 0.00 62.40 64.41 1bam h SER 35 CO 0.10 0.18 0.54 -2.65 -1.14 0.00 0.00 176.83 173.86 1bam n PRO 36 N -4.38 2.11 -4.23 3.45 -0.02 -1.26 -4.71 135.00 125.96 1bam n PRO 36 Ca -0.02 0.74 -0.16 0.00 -2.02 0.00 0.00 63.50 62.04 1bam n PRO 36 Cb 0.19 -2.35 -0.11 0.00 -0.02 0.00 0.00 33.50 31.22 1bam n PRO 36 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1bam s ILE 37 N -0.77 1.20 -0.28 4.25 -5.25 -1.26 -1.87 121.20 117.22 1bam s ILE 37 Ca 0.59 -1.80 -0.17 0.00 -0.99 0.00 0.00 60.65 58.29 1bam s ILE 37 Cb -0.59 -1.58 0.08 0.00 2.95 0.00 0.00 42.46 43.32 1bam s ILE 37 CO 0.58 -0.54 0.70 0.86 -1.79 0.00 0.00 174.94 174.75 1bam s TRP 38 N -2.53 -1.04 1.13 1.37 -0.11 -0.07 -4.55 118.94 113.14 1bam s TRP 38 Ca 0.10 2.10 -0.13 0.00 1.22 0.00 0.00 56.10 59.40 1bam s TRP 38 Cb -0.02 0.60 0.26 0.00 -1.50 0.00 0.00 33.47 32.81 1bam s TRP 38 CO 0.02 -0.51 1.05 -2.14 -4.62 0.00 0.00 176.95 170.74 1bam s PRO 39 N 1.51 -0.61 0.67 5.86 0.02 -1.26 -1.38 135.00 139.81 1bam s PRO 39 Ca -0.09 0.64 0.42 0.00 0.02 0.00 0.00 61.00 61.99 1bam s PRO 39 Cb -0.05 -1.61 2.27 0.00 0.02 0.00 0.00 34.50 35.14 1bam s PRO 39 CO -0.18 -3.46 2.28 0.00 -0.33 0.00 0.00 177.00 175.31 1bam h ALA 40 N -2.43 1.07 0.00 -1.55 0.00 -1.96 -0.76 119.26 113.63 1bam h ALA 40 Ca -0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1bam h ALA 40 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1bam h ALA 40 CO 0.53 -0.07 -0.33 0.25 0.00 0.00 0.00 179.25 179.63 1bam n THR 41 N -3.04 0.34 -2.34 0.00 -2.24 -1.26 -4.82 114.28 100.93 1bam n THR 41 Ca -0.03 -0.21 -0.24 0.00 -2.27 0.00 0.00 64.05 61.30 1bam n THR 41 Cb 0.13 -0.27 0.06 0.00 -2.10 0.00 0.00 70.33 68.15 1bam n THR 41 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1bam s SER 42 N -4.00 4.94 0.00 3.42 0.15 -0.29 -5.04 113.70 112.88 1bam s SER 42 Ca 0.09 0.30 0.06 0.00 0.70 0.00 0.00 55.95 57.10 1bam s SER 42 Cb 0.14 -1.01 0.13 0.00 -1.71 0.00 0.00 66.02 63.57 1bam s SER 42 CO 0.65 -1.47 0.98 0.29 1.20 0.00 0.00 173.24 174.89 1bam n LYS 43 N -2.75 1.81 -4.35 5.44 4.76 -1.26 -4.69 118.16 117.12 1bam n LYS 43 Ca 0.08 -1.47 -0.18 0.00 -2.87 0.00 0.00 58.31 53.88 1bam n LYS 43 Cb 0.60 -1.14 -0.10 0.00 -1.84 0.00 0.00 35.03 32.55 1bam n LYS 43 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1bam s THR 44 N -0.83 0.93 -0.34 -0.18 -4.23 -1.26 -4.96 115.64 104.76 1bam s THR 44 Ca 0.11 -2.02 -0.09 0.00 -1.18 0.00 0.00 61.69 58.51 1bam s THR 44 Cb 0.06 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.42 1bam s THR 44 CO 0.09 -0.18 0.16 0.12 -0.54 0.00 0.00 174.62 174.26 1bam s PHE 45 N -3.49 3.22 -0.15 3.99 2.19 -1.26 -0.89 117.98 121.58 1bam s PHE 45 Ca 0.32 -0.93 -0.03 0.00 0.33 0.00 0.00 56.93 56.63 1bam s PHE 45 Cb 0.07 -2.37 -0.02 0.00 -1.31 0.00 0.00 43.02 39.38 1bam s PHE 45 CO 0.11 -0.60 -0.06 0.99 1.83 0.00 0.00 175.22 177.49 1bam s THR 46 N 1.54 3.64 -0.12 0.12 2.01 -0.48 -1.16 115.64 121.19 1bam s THR 46 Ca 0.02 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.54 1bam s THR 46 Cb -0.18 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 1bam s THR 46 CO 0.05 0.50 0.00 -0.51 -0.69 0.00 0.00 174.62 173.98 1bam s ILE 47 N 0.40 4.29 -0.01 1.82 1.10 -0.43 -4.61 121.20 123.76 1bam s ILE 47 Ca -0.06 -0.24 -0.30 0.00 -0.51 0.00 0.00 60.65 59.55 1bam s ILE 47 Cb -0.15 -2.85 -0.06 0.00 0.15 0.00 0.00 42.46 39.55 1bam s ILE 47 CO 0.04 0.55 1.58 0.21 -2.11 0.00 0.00 174.94 175.20 1bam s ASN 48 N -0.31 6.70 -0.34 4.50 3.84 -1.23 -1.20 114.94 126.91 1bam s ASN 48 Ca 0.06 2.26 0.07 0.00 0.21 0.00 0.00 52.86 55.47 1bam s ASN 48 Cb -0.12 -2.55 0.53 0.00 -0.55 0.00 0.00 41.25 38.56 1bam s ASN 48 CO 0.02 -0.86 1.57 -0.46 -2.79 0.00 0.00 177.10 174.58 1bam n ASN 49 N 6.23 3.06 0.47 -4.21 6.94 -0.99 -4.77 115.26 121.98 1bam n ASN 49 Ca 0.16 -3.76 -0.18 0.00 -0.02 0.00 0.00 54.58 50.77 1bam n ASN 49 Cb 0.42 -0.68 -0.09 0.00 -2.36 0.00 0.00 39.78 37.08 1bam n ASN 49 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1bam h THR 50 N 1.06 0.00 -3.08 5.53 1.35 -1.91 -3.46 112.91 112.40 1bam h THR 50 Ca 0.33 -0.06 -0.41 0.00 -0.55 0.00 0.00 66.41 65.72 1bam h THR 50 Cb 1.85 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 68.12 1bam h THR 50 CO 0.60 0.00 -0.68 -1.61 -0.25 0.00 0.00 175.52 173.59 1bam s GLU 51 N -5.51 1.36 0.47 4.72 2.02 -1.26 -5.12 118.70 115.38 1bam s GLU 51 Ca -0.17 -1.67 -0.24 0.00 0.02 0.00 0.00 54.97 52.91 1bam s GLU 51 Cb 0.02 -0.83 -0.07 0.00 0.10 0.00 0.00 34.13 33.35 1bam s GLU 51 CO 0.52 -0.00 1.26 -1.59 0.02 0.00 0.00 175.26 175.47 1bam s LYS 52 N -3.78 3.66 -1.80 1.61 0.00 -1.26 -3.22 119.74 114.95 1bam s LYS 52 Ca 0.26 2.01 0.00 0.00 0.00 0.00 0.00 55.97 58.24 1bam s LYS 52 Cb 0.04 -2.47 0.00 0.00 0.00 0.00 0.00 37.83 35.40 1bam s LYS 52 CO 0.08 -0.70 0.00 0.09 0.00 0.00 0.00 175.35 174.82 1bam n ASN 53 N -0.44 -5.27 0.17 0.03 5.03 -0.04 -4.90 115.26 109.84 1bam n ASN 53 Ca 0.07 0.22 0.12 0.00 0.87 0.00 0.00 54.58 55.87 1bam n ASN 53 Cb 0.46 -4.53 0.22 0.00 -1.02 0.00 0.00 39.78 34.91 1bam n ASN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bam s ASN 55 N -5.55 5.35 0.59 0.00 0.01 -0.50 -4.71 114.94 110.13 1bam s ASN 55 Ca 0.07 -0.13 -0.07 0.00 -0.71 0.00 0.00 52.86 52.03 1bam s ASN 55 Cb 0.08 -1.36 0.00 0.00 0.41 0.00 0.00 41.25 40.38 1bam s ASN 55 CO 0.66 0.12 0.91 -0.83 -1.51 0.00 0.00 177.10 176.46 1bam s GLY 56 N -2.72 1.60 0.00 0.66 0.00 -0.17 0.18 107.32 106.86 1bam s GLY 56 Ca 0.29 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1bam s GLY 56 CO 0.21 -0.34 0.00 1.55 0.00 0.00 0.00 173.10 174.52 1bam n VAL 57 N -2.60 0.00 -0.30 1.40 3.14 -1.26 -4.73 118.33 113.97 1bam n VAL 57 Ca 0.04 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.40 1bam n VAL 57 Cb 0.57 0.01 0.09 0.00 -1.06 0.00 0.00 33.84 33.45 1bam n VAL 57 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1bam h VAL 58 N 0.00 1.17 -0.65 1.55 2.07 -1.86 -1.82 116.25 116.71 1bam h VAL 58 Ca 0.00 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 67.24 1bam h VAL 58 Cb 0.26 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 1bam h VAL 58 CO 0.00 0.20 0.43 -0.65 0.02 0.00 0.00 177.57 177.57 1bam h PRO 59 N 1.08 0.50 -0.56 1.57 0.11 -1.81 -0.27 132.00 132.62 1bam h PRO 59 Ca 0.32 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.32 1bam h PRO 59 Cb -0.06 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 1bam h PRO 59 CO -0.09 0.33 0.04 0.82 -0.21 0.00 0.00 178.00 178.89 1bam h ILE 60 N 0.52 1.26 -0.46 4.15 2.04 -1.66 -0.34 117.51 123.02 1bam h ILE 60 Ca 0.30 -1.07 -0.09 0.00 1.00 0.00 0.00 64.86 65.00 1bam h ILE 60 Cb 0.48 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1bam h ILE 60 CO -0.09 0.38 -0.06 0.50 0.00 0.00 0.00 178.15 178.88 1bam h LYS 61 N 0.85 0.85 -0.61 2.37 3.64 -0.93 -0.90 116.57 121.85 1bam h LYS 61 Ca 0.16 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.21 1bam h LYS 61 Cb 0.49 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1bam h LYS 61 CO 0.02 0.93 0.24 0.93 -2.27 0.00 0.00 179.45 179.30 1bam h GLU 62 N 0.70 0.91 -0.24 1.90 4.39 -0.89 -0.55 114.58 120.80 1bam h GLU 62 Ca 0.12 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1bam h GLU 62 Cb 0.59 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1bam h GLU 62 CO 0.04 0.78 0.12 1.25 -1.16 0.00 0.00 179.01 180.04 1bam h LEU 63 N 0.85 0.31 -0.20 1.33 5.85 -0.82 -0.94 115.31 121.70 1bam h LEU 63 Ca 0.20 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1bam h LEU 63 Cb 0.21 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1bam h LEU 63 CO -0.02 0.34 0.02 0.00 -0.34 0.00 0.00 178.44 178.44 1bam h TYR 65 N 0.09 0.38 -0.44 0.00 -1.99 -0.96 -2.41 116.97 111.65 1bam h TYR 65 Ca 0.09 -0.05 -0.10 0.00 2.00 0.00 0.00 58.73 60.67 1bam h TYR 65 Cb 0.10 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 1bam h TYR 65 CO -0.16 0.47 -0.13 1.15 -0.00 0.00 0.00 178.16 179.50 1bam h THR 66 N 0.34 1.27 -0.15 -2.88 2.02 -0.76 -0.60 112.91 112.15 1bam h THR 66 Ca 0.07 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 1bam h THR 66 Cb 0.41 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1bam h THR 66 CO 0.02 0.43 0.08 -0.07 0.37 0.00 0.00 175.52 176.34 1bam h LEU 67 N 0.69 0.20 -0.61 2.58 3.38 -1.05 0.29 115.31 120.79 1bam h LEU 67 Ca 0.11 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1bam h LEU 67 Cb 0.68 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1bam h LEU 67 CO 0.05 0.25 0.39 -0.07 0.09 0.00 0.00 178.44 179.15 1bam h LEU 68 N 0.12 0.65 0.49 1.67 3.38 -1.42 0.93 115.31 121.14 1bam h LEU 68 Ca 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1bam h LEU 68 Cb 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1bam h LEU 68 CO -0.01 0.46 -0.24 -0.08 0.09 0.00 0.00 178.44 178.67 1bam h GLU 69 N 0.78 -0.64 -0.34 1.13 4.81 -0.82 -0.89 114.58 118.61 1bam h GLU 69 Ca 0.23 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1bam h GLU 69 Cb -0.03 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1bam h GLU 69 CO -0.08 -0.43 0.04 -0.44 -0.73 0.00 0.00 179.01 177.38 1bam h ASP 70 N -0.98 0.55 0.32 1.04 3.32 -0.46 -2.29 116.42 117.92 1bam h ASP 70 Ca -0.07 -0.28 -0.32 0.00 0.02 0.00 0.00 57.03 56.38 1bam h ASP 70 Cb 0.51 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 1bam h ASP 70 CO 0.11 0.69 -1.90 0.41 -1.72 0.00 0.00 179.24 176.84 1bam n THR 71 N -4.57 1.62 0.35 0.35 -1.04 0.28 -4.53 114.28 106.75 1bam n THR 71 Ca -0.02 -0.76 0.06 0.00 -2.04 0.00 0.00 64.05 61.29 1bam n THR 71 Cb 0.24 -1.15 0.08 0.00 -1.82 0.00 0.00 70.33 67.67 1bam n THR 71 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bam n TYR 72 N -3.12 0.12 -3.43 -1.42 4.01 -0.68 -5.01 117.16 107.62 1bam n TYR 72 Ca -0.24 -0.11 -0.22 0.00 -0.16 0.00 0.00 57.90 57.17 1bam n TYR 72 Cb 1.06 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 40.15 1bam n TYR 72 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1bam n ASN 73 N 0.68 -5.97 -4.90 7.72 4.13 -0.43 -4.93 115.26 111.55 1bam n ASN 73 Ca 0.08 -0.46 -0.28 0.00 1.68 0.00 0.00 54.58 55.60 1bam n ASN 73 Cb 0.34 -4.62 -0.01 0.00 -1.54 0.00 0.00 39.78 33.95 1bam n ASN 73 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1bam s TRP 74 N -3.27 3.54 0.19 3.10 0.52 -0.64 -4.83 118.94 117.56 1bam s TRP 74 Ca 0.50 0.87 0.05 0.00 0.02 0.00 0.00 56.10 57.55 1bam s TRP 74 Cb -0.22 -2.34 -0.04 0.00 -1.15 0.00 0.00 33.47 29.72 1bam s TRP 74 CO 0.62 -0.24 0.20 0.71 0.02 0.00 0.00 176.95 178.26 1bam s TYR 75 N -2.66 3.23 -0.19 -1.98 2.02 0.54 -4.40 117.35 113.92 1bam s TYR 75 Ca 0.48 -0.01 -0.03 0.00 -0.37 0.00 0.00 57.07 57.14 1bam s TYR 75 Cb -0.10 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 1bam s TYR 75 CO 0.42 0.51 -0.07 1.03 -1.57 0.00 0.00 175.55 175.87 1bam s ARG 76 N -3.39 3.39 0.00 -0.62 0.52 -1.26 -1.34 118.95 116.25 1bam s ARG 76 Ca 0.32 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1bam s ARG 76 Cb -0.10 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.49 1bam s ARG 76 CO 0.25 -0.05 0.00 0.39 0.02 0.00 0.00 175.30 175.91 1bam n GLU 77 N 4.35 0.00 -0.14 3.54 1.02 -0.01 -4.97 120.64 124.44 1bam n GLU 77 Ca -0.18 0.43 0.02 0.00 -0.02 0.00 0.00 57.16 57.41 1bam n GLU 77 Cb 0.51 -0.87 0.03 0.00 -0.02 0.00 0.00 31.44 31.10 1bam n GLU 77 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1bam n LYS 78 N 0.06 1.02 -1.13 3.49 4.76 -1.26 -4.84 118.16 120.26 1bam n LYS 78 Ca 0.00 -1.30 -0.17 0.00 -2.87 0.00 0.00 58.31 53.97 1bam n LYS 78 Cb 0.00 -0.83 -0.10 0.00 -1.84 0.00 0.00 35.03 32.26 1bam n LYS 78 CO 0.00 0.00 0.00 -3.68 -1.37 0.00 0.00 177.40 172.35 1bam n PRO 92 N -0.42 2.04 -2.50 1.97 -0.09 -1.26 -4.89 135.00 129.85 1bam n PRO 92 Ca 0.03 -1.45 -0.41 0.00 -0.09 0.00 0.00 63.50 61.58 1bam n PRO 92 Cb 0.51 -1.93 -0.04 0.00 -0.09 0.00 0.00 33.50 31.96 1bam n PRO 92 CO 0.00 0.00 0.00 0.42 -0.09 0.00 0.00 175.50 175.83 1bam s ILE 93 N -0.57 3.90 0.16 0.58 1.01 -1.26 -4.95 121.20 120.07 1bam s ILE 93 Ca 0.55 1.59 -0.24 0.00 0.00 0.00 0.00 60.65 62.55 1bam s ILE 93 Cb 0.31 -4.02 0.03 0.00 0.01 0.00 0.00 42.46 38.79 1bam s ILE 93 CO -0.08 0.25 1.59 0.44 0.00 0.00 0.00 174.94 177.14 1bam h ASP 94 N 5.37 -1.14 -4.85 3.58 5.19 -1.91 -3.10 116.42 119.56 1bam h ASP 94 Ca -0.44 0.19 -0.15 0.00 -0.62 0.00 0.00 57.03 56.01 1bam h ASP 94 Cb 1.21 0.52 -0.21 0.00 0.18 0.00 0.00 39.33 41.03 1bam h ASP 94 CO 0.74 -0.34 -0.49 0.68 -3.12 0.00 0.00 179.24 176.70 1bam s VAL 95 N -5.97 0.07 0.08 -1.35 -7.23 -1.16 -0.83 120.40 104.03 1bam s VAL 95 Ca -0.15 -0.62 -0.18 0.00 -1.81 0.00 0.00 61.98 59.22 1bam s VAL 95 Cb 0.12 -0.41 0.04 0.00 0.56 0.00 0.00 36.38 36.69 1bam s VAL 95 CO 0.67 -0.34 0.44 -0.72 -0.31 0.00 0.00 175.10 174.84 1bam s TYR 96 N -1.23 -0.29 -0.06 2.82 1.13 -0.45 -1.66 117.35 117.61 1bam s TYR 96 Ca -0.13 0.14 0.05 0.00 -1.41 0.00 0.00 57.07 55.71 1bam s TYR 96 Cb -0.07 0.28 -0.02 0.00 -1.10 0.00 0.00 41.96 41.05 1bam s TYR 96 CO 0.01 -0.66 -0.20 0.21 -2.51 0.00 0.00 175.55 172.41 1bam s LYS 97 N -3.09 2.63 -0.02 -3.49 2.20 -0.10 -0.34 119.74 117.53 1bam s LYS 97 Ca -0.02 -0.81 0.06 0.00 -0.36 0.00 0.00 55.97 54.85 1bam s LYS 97 Cb 0.00 -2.29 -0.01 0.00 -1.51 0.00 0.00 37.83 34.02 1bam s LYS 97 CO -0.07 0.45 -0.21 -2.00 -0.36 0.00 0.00 175.35 173.16 1bam s GLU 98 N -0.30 1.75 -0.15 4.03 2.12 -1.26 -1.19 118.70 123.70 1bam s GLU 98 Ca 0.01 -0.75 -0.30 0.00 0.36 0.00 0.00 54.97 54.29 1bam s GLU 98 Cb -0.13 -1.66 0.12 0.00 0.26 0.00 0.00 34.13 32.72 1bam s GLU 98 CO 0.03 0.43 0.96 -0.59 -0.54 0.00 0.00 175.26 175.55 1bam s PHE 99 N -0.44 -0.40 -0.04 5.30 -0.12 -0.39 -4.98 117.98 116.91 1bam s PHE 99 Ca 0.07 0.69 -0.22 0.00 -0.05 0.00 0.00 56.93 57.41 1bam s PHE 99 Cb -0.09 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 1bam s PHE 99 CO -0.00 -0.37 0.66 0.42 -0.05 0.00 0.00 175.22 175.88 1bam s ILE 100 N -1.10 4.99 -0.08 -4.49 1.09 -1.26 -0.13 121.20 120.21 1bam s ILE 100 Ca -0.03 1.38 -0.03 0.00 -1.10 0.00 0.00 60.65 60.87 1bam s ILE 100 Cb -0.00 -4.00 0.05 0.00 -1.06 0.00 0.00 42.46 37.44 1bam s ILE 100 CO 0.02 0.31 0.15 -0.70 -0.10 0.00 0.00 174.94 174.63 1bam s GLU 101 N 0.44 0.03 -1.25 2.79 2.12 0.95 -4.86 118.70 118.92 1bam s GLU 101 Ca 0.35 0.54 -0.03 0.00 0.36 0.00 0.00 54.97 56.19 1bam s GLU 101 Cb -0.18 -0.28 -0.01 0.00 0.26 0.00 0.00 34.13 33.92 1bam s GLU 101 CO 0.18 -0.30 0.76 0.09 -0.54 0.00 0.00 175.26 175.45 1bam n ASN 102 N 5.24 -2.19 -2.01 -1.70 3.02 -1.26 -2.19 115.26 114.17 1bam n ASN 102 Ca -0.06 -0.81 -0.20 0.00 -0.03 0.00 0.00 54.58 53.48 1bam n ASN 102 Cb 0.50 -4.21 -0.05 0.00 -0.61 0.00 0.00 39.78 35.41 1bam n ASN 102 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1bam n SER 103 N -3.04 -5.54 -4.02 6.41 7.64 -1.26 -4.98 113.62 108.82 1bam n SER 103 Ca -0.26 0.24 -0.16 0.00 1.01 0.00 0.00 58.87 59.71 1bam n SER 103 Cb 0.66 -4.76 -0.14 0.00 -1.01 0.00 0.00 64.21 58.97 1bam n SER 103 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1bam s GLU 104 N -4.40 0.57 -0.07 1.43 2.02 -0.93 -5.12 118.70 112.20 1bam s GLU 104 Ca 0.00 -0.43 -0.26 0.00 0.02 0.00 0.00 54.97 54.30 1bam s GLU 104 Cb 0.00 -0.50 -0.03 0.00 0.10 0.00 0.00 34.13 33.70 1bam s GLU 104 CO 0.00 0.13 0.82 -1.17 0.02 0.00 0.00 175.26 175.06 1bam s LEU 105 N -0.64 4.30 0.03 1.80 2.96 -1.26 -0.03 118.68 125.83 1bam s LEU 105 Ca -0.01 1.33 0.08 0.00 -0.22 0.00 0.00 54.13 55.31 1bam s LEU 105 Cb -0.05 -3.27 -0.02 0.00 0.50 0.00 0.00 46.19 43.34 1bam s LEU 105 CO 0.00 -0.23 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.03 1bam s LYS 106 N 1.20 1.64 -0.00 1.98 1.02 0.81 -4.96 119.74 121.42 1bam s LYS 106 Ca 0.42 -0.96 0.03 0.00 0.02 0.00 0.00 55.97 55.48 1bam s LYS 106 Cb -0.18 -1.72 -0.01 0.00 -0.52 0.00 0.00 37.83 35.40 1bam s LYS 106 CO 0.20 0.45 -0.09 1.03 -0.92 0.00 0.00 175.35 176.02 1bam s ARG 107 N -1.02 0.73 -0.06 1.68 0.52 -1.26 -1.27 118.95 118.28 1bam s ARG 107 Ca 0.09 -0.35 0.05 0.00 -0.52 0.00 0.00 55.73 55.01 1bam s ARG 107 Cb -0.09 -0.70 -0.01 0.00 0.52 0.00 0.00 34.95 34.67 1bam s ARG 107 CO 0.01 0.19 -0.23 0.08 0.02 0.00 0.00 175.30 175.37 1bam s VAL 108 N -0.27 1.87 0.07 3.52 1.01 -0.33 0.01 120.40 126.28 1bam s VAL 108 Ca 0.03 -0.96 0.10 0.00 0.00 0.00 0.00 61.98 61.15 1bam s VAL 108 Cb -0.04 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1bam s VAL 108 CO -0.00 0.52 -0.27 -0.83 0.00 0.00 0.00 175.10 174.52 1bam s GLY 109 N -0.06 1.46 -0.03 4.51 0.00 -0.56 -0.93 107.32 111.71 1bam s GLY 109 Ca -0.05 -1.34 -0.10 0.00 0.00 0.00 0.00 44.72 43.24 1bam s GLY 109 CO 0.04 -1.26 0.22 -0.29 0.00 0.00 0.00 173.10 171.81 1bam s MET 110 N -1.52 0.46 -0.00 2.90 1.75 -0.66 -1.06 119.30 121.17 1bam s MET 110 Ca 0.12 -0.08 0.01 0.00 -1.25 0.00 0.00 55.69 54.49 1bam s MET 110 Cb -0.10 0.20 -0.00 0.00 2.84 0.00 0.00 34.83 37.77 1bam s MET 110 CO 0.03 -0.10 -0.03 -1.21 -0.65 0.00 0.00 175.02 173.06 1bam s GLU 111 N -0.83 0.22 -0.31 4.11 2.02 -0.61 -2.99 118.70 120.31 1bam s GLU 111 Ca -0.09 -0.11 -0.07 0.00 0.02 0.00 0.00 54.97 54.72 1bam s GLU 111 Cb -0.05 -0.21 0.02 0.00 0.10 0.00 0.00 34.13 33.99 1bam s GLU 111 CO 0.02 0.06 0.09 0.12 0.02 0.00 0.00 175.26 175.57 1bam s PHE 112 N -0.10 3.18 -0.25 1.61 2.19 -1.26 -1.39 117.98 121.96 1bam s PHE 112 Ca 0.01 -1.09 -0.29 0.00 0.33 0.00 0.00 56.93 55.89 1bam s PHE 112 Cb -0.01 -2.27 -0.01 0.00 -1.31 0.00 0.00 43.02 39.42 1bam s PHE 112 CO -0.00 -0.62 1.32 -1.21 1.83 0.00 0.00 175.22 176.54 1bam s GLU 113 N 1.48 4.01 0.00 10.12 0.41 -0.40 -4.87 118.70 129.45 1bam s GLU 113 Ca 0.01 1.42 0.03 0.00 -0.41 0.00 0.00 54.97 56.02 1bam s GLU 113 Cb -0.18 -3.86 0.02 0.00 -1.78 0.00 0.00 34.13 28.33 1bam s GLU 113 CO 0.03 -1.00 0.55 0.25 -0.49 0.00 0.00 175.26 174.60 1bam n THR 114 N 5.95 0.00 -2.69 3.63 -2.24 -1.26 -4.75 114.28 112.93 1bam n THR 114 Ca 0.15 -0.50 -0.03 0.00 -2.27 0.00 0.00 64.05 61.40 1bam n THR 114 Cb 0.46 1.05 0.01 0.00 -2.10 0.00 0.00 70.33 69.76 1bam n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bam n GLY 115 N 0.23 1.40 3.92 3.38 0.00 -1.26 -3.93 105.19 108.93 1bam n GLY 115 Ca 0.02 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 1bam n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bam s ASN 116 N -1.60 3.05 0.29 1.61 2.20 -1.25 -0.89 114.94 118.35 1bam s ASN 116 Ca 0.10 0.28 0.01 0.00 -0.94 0.00 0.00 52.86 52.30 1bam s ASN 116 Cb -0.01 -0.32 0.53 0.00 -2.00 0.00 0.00 41.25 39.45 1bam s ASN 116 CO 0.06 -2.78 1.87 -0.29 -2.94 0.00 0.00 177.10 173.03 1bam h ILE 117 N -1.67 1.00 -0.75 0.54 6.09 -1.92 -1.01 117.51 119.80 1bam h ILE 117 Ca -0.44 -0.35 -0.04 0.00 -1.37 0.00 0.00 64.86 62.65 1bam h ILE 117 Cb 1.24 -0.12 -0.03 0.00 0.47 0.00 0.00 36.82 38.37 1bam h ILE 117 CO 0.38 0.19 0.30 0.28 -3.07 0.00 0.00 178.15 176.23 1bam h SER 118 N 1.03 1.02 -0.40 2.19 0.02 -1.99 -1.92 113.55 113.50 1bam h SER 118 Ca 0.44 -0.15 0.03 0.00 -0.84 0.00 0.00 61.79 61.27 1bam h SER 118 Cb 0.34 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1bam h SER 118 CO -0.20 0.90 0.21 0.28 -1.14 0.00 0.00 176.83 176.88 1bam h SER 119 N 1.09 0.31 -0.62 3.07 0.02 -1.57 -2.03 113.55 113.81 1bam h SER 119 Ca 0.25 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1bam h SER 119 Cb 0.20 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1bam h SER 119 CO -0.02 0.23 0.40 0.00 -1.14 0.00 0.00 176.83 176.30 1bam h ALA 120 N 1.20 1.54 -0.30 3.77 0.00 -0.70 -0.65 119.26 124.11 1bam h ALA 120 Ca 0.17 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1bam h ALA 120 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1bam h ALA 120 CO -0.11 0.42 -0.00 0.45 0.00 0.00 0.00 179.25 180.01 1bam h HIS 121 N 0.85 0.59 -0.81 0.00 3.86 -0.82 -1.13 115.15 117.68 1bam h HIS 121 Ca 0.23 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1bam h HIS 121 Cb -0.08 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.20 1bam h HIS 121 CO 0.00 0.67 0.44 -0.09 0.86 0.00 0.00 177.93 179.82 1bam h ARG 122 N 0.33 1.12 -0.21 2.45 2.43 -0.96 -1.34 114.38 118.21 1bam h ARG 122 Ca 0.09 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1bam h ARG 122 Cb 0.44 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1bam h ARG 122 CO 0.02 0.82 -0.01 1.03 -1.51 0.00 0.00 179.97 180.32 1bam h SER 123 N 1.13 0.37 -0.47 -3.80 0.87 -0.99 -0.47 113.55 110.19 1bam h SER 123 Ca 0.29 -0.33 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1bam h SER 123 Cb 0.03 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1bam h SER 123 CO -0.05 0.61 0.31 -0.03 -0.53 0.00 0.00 176.83 177.14 1bam h MET 124 N 0.12 0.61 -0.36 2.24 1.85 -1.00 -2.13 114.93 116.26 1bam h MET 124 Ca 0.06 -0.04 -0.09 0.00 -0.61 0.00 0.00 59.70 59.02 1bam h MET 124 Cb 0.43 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.30 1bam h MET 124 CO 0.01 0.40 -0.16 -0.91 -0.40 0.00 0.00 176.91 175.86 1bam h ASN 125 N 0.63 0.66 -0.65 1.39 -0.26 -1.14 -0.11 115.58 116.10 1bam h ASN 125 Ca 0.17 -0.20 0.02 0.00 -0.56 0.00 0.00 56.30 55.72 1bam h ASN 125 Cb -0.07 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 36.97 1bam h ASN 125 CO -0.04 0.83 0.42 0.50 -1.06 0.00 0.00 177.43 178.09 1bam h LYS 126 N 0.60 0.82 -0.31 0.81 3.64 -0.63 -0.67 116.57 120.83 1bam h LYS 126 Ca 0.10 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.25 1bam h LYS 126 Cb 0.61 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1bam h LYS 126 CO 0.04 0.54 -0.52 -0.07 -2.27 0.00 0.00 179.45 177.18 1bam h LEU 127 N 0.84 0.98 -1.13 5.20 3.38 -1.10 -1.84 115.31 121.64 1bam h LEU 127 Ca 0.25 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1bam h LEU 127 Cb -0.05 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 1bam h LEU 127 CO -0.08 1.31 0.59 0.25 0.09 0.00 0.00 178.44 180.60 1bam h LEU 128 N 0.69 1.02 -0.23 1.67 5.85 -0.73 -0.23 115.31 123.34 1bam h LEU 128 Ca 0.02 -0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 1bam h LEU 128 Cb 1.12 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.91 1bam h LEU 128 CO 0.12 0.73 -0.72 0.25 -0.34 0.00 0.00 178.44 178.47 1bam h LEU 129 N 1.20 0.88 -0.97 2.25 5.85 -0.97 -1.53 115.31 122.01 1bam h LEU 129 Ca 0.33 -0.55 0.04 0.00 0.84 0.00 0.00 57.88 58.54 1bam h LEU 129 Cb -0.11 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.60 1bam h LEU 129 CO -0.08 1.34 0.63 1.23 -0.34 0.00 0.00 178.44 181.23 1bam h GLY 130 N 0.70 1.44 0.84 3.75 0.00 -0.79 -1.23 103.07 107.77 1bam h GLY 130 Ca -0.04 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1bam h GLY 130 CO 0.15 0.39 0.03 1.41 0.00 0.00 0.00 176.54 178.52 1bam h LEU 131 N 1.21 0.34 -1.06 3.11 3.38 -0.93 0.17 115.31 121.53 1bam h LEU 131 Ca 0.40 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1bam h LEU 131 Cb 0.04 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1bam h LEU 131 CO -0.14 0.52 0.56 0.11 0.09 0.00 0.00 178.44 179.58 1bam h LYS 132 N 0.14 1.20 -0.02 1.13 1.57 -0.92 -1.88 116.57 117.79 1bam h LYS 132 Ca 0.06 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1bam h LYS 132 Cb 0.33 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1bam h LYS 132 CO 0.01 0.82 0.00 0.72 -0.57 0.00 0.00 179.45 180.43 1bam n HIS 133 N -4.37 0.02 -1.42 -1.35 8.25 -0.50 -4.91 115.22 110.94 1bam n HIS 133 Ca 0.10 -0.01 -0.09 0.00 -0.26 0.00 0.00 57.72 57.46 1bam n HIS 133 Cb 0.05 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 1bam n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bam n GLY 134 N 0.98 0.86 0.15 -1.41 0.00 -0.71 -4.89 105.19 100.17 1bam n GLY 134 Ca 0.19 -0.62 0.06 0.00 0.00 0.00 0.00 46.02 45.66 1bam n GLY 134 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bam h GLU 135 N 0.00 0.00 -4.06 1.61 5.08 -0.91 -3.46 114.58 112.85 1bam h GLU 135 Ca -0.19 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.02 1bam h GLU 135 Cb 0.68 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.74 1bam h GLU 135 CO 0.26 0.27 -0.69 0.96 -1.00 0.00 0.00 179.01 178.81 1bam s ILE 136 N -3.07 0.14 -0.26 3.13 -4.36 -1.16 -4.75 121.20 110.87 1bam s ILE 136 Ca 0.03 -1.16 0.22 0.00 -0.26 0.00 0.00 60.65 59.49 1bam s ILE 136 Cb 0.07 -0.60 -0.28 0.00 1.25 0.00 0.00 42.46 42.90 1bam s ILE 136 CO 0.74 -0.63 0.63 0.47 0.24 0.00 0.00 174.94 176.39 1bam n ASP 137 N 1.19 0.28 -3.68 4.36 9.92 0.10 -4.35 116.55 124.38 1bam n ASP 137 Ca -0.21 -0.17 -0.14 0.00 -0.53 0.00 0.00 54.79 53.74 1bam n ASP 137 Cb 0.57 1.63 -0.08 0.00 -0.64 0.00 0.00 41.12 42.59 1bam n ASP 137 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1bam s LEU 138 N -4.26 0.00 -0.00 0.64 2.96 -1.22 -4.71 118.68 112.09 1bam s LEU 138 Ca -0.04 0.89 0.08 0.00 -0.22 0.00 0.00 54.13 54.84 1bam s LEU 138 Cb 0.14 1.85 -0.02 0.00 0.50 0.00 0.00 46.19 48.66 1bam s LEU 138 CO 0.89 -0.28 -0.25 0.00 -1.32 0.00 0.00 176.35 175.39 1bam s ALA 139 N -0.15 2.06 -0.02 5.97 0.00 -0.99 -1.49 121.76 127.14 1bam s ALA 139 Ca -0.03 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1bam s ALA 139 Cb -0.03 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.60 1bam s ALA 139 CO 0.03 0.50 -0.05 0.42 0.00 0.00 0.00 175.76 176.65 1bam s ILE 140 N -0.63 0.51 -0.04 0.00 1.01 -0.22 -1.23 121.20 120.60 1bam s ILE 140 Ca 0.10 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.61 1bam s ILE 140 Cb -0.09 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 1bam s ILE 140 CO -0.00 0.18 -0.19 -0.63 0.00 0.00 0.00 174.94 174.30 1bam s ILE 141 N 0.39 1.58 -0.09 2.92 1.01 -0.26 -1.58 121.20 125.18 1bam s ILE 141 Ca -0.05 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.79 1bam s ILE 141 Cb -0.09 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 1bam s ILE 141 CO -0.00 0.45 -0.11 -0.76 0.00 0.00 0.00 174.94 174.52 1bam s LEU 142 N -0.13 2.90 -0.04 2.97 1.43 -0.49 -0.48 118.68 124.83 1bam s LEU 142 Ca -0.01 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 1bam s LEU 142 Cb -0.11 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.50 1bam s LEU 142 CO 0.02 0.27 0.27 -0.04 0.23 0.00 0.00 176.35 177.10 1bam s MET 143 N -0.26 0.52 0.45 1.70 -1.94 -0.15 -1.27 119.30 118.34 1bam s MET 143 Ca 0.02 -0.02 -0.21 0.00 -1.71 0.00 0.00 55.69 53.77 1bam s MET 143 Cb -0.13 0.23 -0.09 0.00 2.01 0.00 0.00 34.83 36.85 1bam s MET 143 CO 0.03 -0.12 1.01 -1.25 -0.01 0.00 0.00 175.02 174.68 1bam s PRO 144 N -0.82 4.03 0.82 2.03 0.04 -1.26 -1.92 135.00 137.92 1bam s PRO 144 Ca -0.09 1.32 -0.12 0.00 0.04 0.00 0.00 61.00 62.15 1bam s PRO 144 Cb -0.05 -2.23 0.08 0.00 0.04 0.00 0.00 34.50 32.34 1bam s PRO 144 CO 0.02 -0.23 1.10 0.96 0.04 0.00 0.00 177.00 178.90 1bam s ILE 145 N -1.96 2.89 0.19 0.56 -4.36 -0.83 -0.98 121.20 116.70 1bam s ILE 145 Ca 0.63 0.29 -0.12 0.00 -0.26 0.00 0.00 60.65 61.19 1bam s ILE 145 Cb -0.15 -3.03 0.11 0.00 1.25 0.00 0.00 42.46 40.64 1bam s ILE 145 CO 0.19 -0.38 1.74 0.50 0.24 0.00 0.00 174.94 177.23 1bam h LYS 146 N -1.16 0.32 -0.70 0.37 3.64 -1.92 -0.33 116.57 116.78 1bam h LYS 146 Ca -0.48 -0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.03 1bam h LYS 146 Cb 1.28 -0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.93 1bam h LYS 146 CO 0.60 0.21 0.20 0.37 -2.27 0.00 0.00 179.45 178.56 1bam h GLN 147 N 0.33 0.31 -0.01 1.90 4.15 -1.97 -1.13 115.11 118.69 1bam h GLN 147 Ca 0.26 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.63 1bam h GLN 147 Cb 0.31 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1bam h GLN 147 CO -0.29 0.21 -0.11 1.25 -1.93 0.00 0.00 178.83 177.96 1bam h LEU 148 N 0.32 0.11 -1.96 -2.39 5.85 -1.75 -3.29 115.31 112.20 1bam h LEU 148 Ca 0.39 -0.74 0.30 0.00 0.84 0.00 0.00 57.88 58.67 1bam h LEU 148 Cb 0.62 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 1bam h LEU 148 CO -0.45 0.83 0.75 0.00 -0.34 0.00 0.00 178.44 179.24 1bam h ALA 149 N 0.28 2.95 -0.80 1.25 0.00 -0.62 0.18 119.26 122.49 1bam h ALA 149 Ca -0.01 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1bam h ALA 149 Cb 0.84 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1bam h ALA 149 CO 0.02 -1.25 0.52 -0.92 0.00 0.00 0.00 179.25 177.62 1bam h TYR 150 N 0.03 0.84 -0.40 0.00 3.20 -1.29 -0.69 116.97 118.67 1bam h TYR 150 Ca 0.51 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.40 1bam h TYR 150 Cb 1.98 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.97 1bam h TYR 150 CO -0.00 0.42 0.00 0.66 -1.64 0.00 0.00 178.16 177.60 1bam n TYR 151 N -4.49 0.51 -2.88 -3.82 4.01 0.61 -0.86 117.16 110.25 1bam n TYR 151 Ca 0.12 -0.26 -0.19 0.00 -0.16 0.00 0.00 57.90 57.42 1bam n TYR 151 Cb 0.26 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.31 1bam n TYR 151 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1bam s LEU 152 N -1.40 3.51 0.48 7.72 1.43 -0.26 -1.40 118.68 128.75 1bam s LEU 152 Ca 0.38 -0.21 -0.23 0.00 -1.03 0.00 0.00 54.13 53.05 1bam s LEU 152 Cb 0.21 -2.77 -0.09 0.00 0.03 0.00 0.00 46.19 43.58 1bam s LEU 152 CO 0.30 -0.90 1.04 1.07 0.23 0.00 0.00 176.35 178.09 1bam n THR 153 N -2.06 2.83 -0.36 5.49 5.66 0.13 -3.59 114.28 122.38 1bam n THR 153 Ca 0.07 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.63 1bam n THR 153 Cb 0.59 -1.23 0.13 0.00 -1.55 0.00 0.00 70.33 68.27 1bam n THR 153 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1bam n ASP 154 N 0.07 -0.37 0.19 1.09 2.03 -1.26 -2.69 116.55 115.62 1bam n ASP 154 Ca 0.10 1.70 -0.17 0.00 0.52 0.00 0.00 54.79 56.94 1bam n ASP 154 Cb 0.42 -0.51 -0.10 0.00 -0.72 0.00 0.00 41.12 40.21 1bam n ASP 154 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1bam h ARG 155 N 0.00 -0.83 -4.68 -0.67 3.08 -1.91 -3.46 114.38 105.91 1bam h ARG 155 Ca 0.47 0.06 -0.63 0.00 0.07 0.00 0.00 59.98 59.95 1bam h ARG 155 Cb 0.72 0.19 0.03 0.00 0.08 0.00 0.00 29.97 30.99 1bam h ARG 155 CO -1.02 -0.56 0.13 1.55 -1.07 0.00 0.00 179.97 179.01 1bam n VAL 156 N -5.47 0.00 -1.62 2.04 3.14 -1.09 -3.93 118.33 111.39 1bam n VAL 156 Ca -0.10 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.21 1bam n VAL 156 Cb 0.43 -0.07 0.04 0.00 -1.06 0.00 0.00 33.84 33.19 1bam n VAL 156 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1bam n THR 157 N 1.51 0.00 -3.86 1.55 5.66 -0.07 -4.89 114.28 114.19 1bam n THR 157 Ca 0.17 -0.29 -0.09 0.00 -3.05 0.00 0.00 64.05 60.79 1bam n THR 157 Cb 0.04 -1.66 -0.07 0.00 -1.55 0.00 0.00 70.33 67.10 1bam n THR 157 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1bam s ASN 158 N -2.10 0.04 0.20 1.09 2.20 -1.26 -4.60 114.94 110.50 1bam s ASN 158 Ca 0.17 -0.67 -0.15 0.00 -0.94 0.00 0.00 52.86 51.28 1bam s ASN 158 Cb -0.01 0.39 0.19 0.00 -2.00 0.00 0.00 41.25 39.83 1bam s ASN 158 CO 0.12 -0.80 1.64 0.15 -2.94 0.00 0.00 177.10 175.27 1bam h PHE 159 N 2.63 -0.32 -0.02 1.54 3.04 -1.31 -2.45 116.94 120.05 1bam h PHE 159 Ca -0.33 0.05 -0.05 0.00 3.98 0.00 0.00 57.97 61.62 1bam h PHE 159 Cb 1.22 0.23 -0.01 0.00 2.56 0.00 0.00 35.95 39.95 1bam h PHE 159 CO 0.40 -0.25 -0.24 0.93 -2.02 0.00 0.00 178.31 177.14 1bam h GLU 160 N -0.01 0.03 -0.22 1.11 3.07 -1.95 -0.84 114.58 115.78 1bam h GLU 160 Ca 0.27 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 59.01 1bam h GLU 160 Cb 0.42 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1bam h GLU 160 CO -0.58 0.27 -0.34 1.49 -1.40 0.00 0.00 179.01 178.45 1bam h GLU 161 N 0.03 0.47 0.00 2.33 4.81 -1.85 -2.97 114.58 117.40 1bam h GLU 161 Ca 0.00 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1bam h GLU 161 Cb 0.44 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1bam h GLU 161 CO 0.03 0.75 -0.88 -0.11 -0.73 0.00 0.00 179.01 178.07 1bam n LEU 162 N -4.06 0.74 -0.27 1.64 7.94 -1.01 -4.49 117.00 117.49 1bam n LEU 162 Ca -0.01 0.22 0.09 0.00 -1.11 0.00 0.00 56.01 55.20 1bam n LEU 162 Cb 0.46 -0.11 0.22 0.00 0.53 0.00 0.00 43.42 44.53 1bam n LEU 162 CO 0.43 -0.09 0.91 -0.08 -1.11 0.00 0.00 177.39 177.45 1bam h GLU 163 N 0.00 0.20 -0.17 1.96 4.81 -0.99 -0.45 114.58 119.94 1bam h GLU 163 Ca 0.00 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1bam h GLU 163 Cb 0.86 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1bam h GLU 163 CO 0.00 0.13 0.26 -1.35 -0.73 0.00 0.00 179.01 177.32 1bam h PRO 164 N 0.21 0.00 -0.02 0.92 0.11 -1.79 -1.65 132.00 129.79 1bam h PRO 164 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 1bam h PRO 164 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1bam h PRO 164 CO -0.61 0.00 -0.10 0.66 -0.21 0.00 0.00 178.00 177.74 1bam n TYR 165 N -3.49 0.00 0.28 0.65 4.01 -0.18 -4.20 117.16 114.23 1bam n TYR 165 Ca 0.01 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.87 1bam n TYR 165 Cb 0.37 -0.02 0.77 0.00 -0.31 0.00 0.00 39.34 40.15 1bam n TYR 165 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1bam h PHE 166 N 3.02 0.00 -0.18 -0.72 0.04 -1.33 -1.59 116.94 116.17 1bam h PHE 166 Ca 0.00 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.82 1bam h PHE 166 Cb 0.71 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 1bam h PHE 166 CO 0.00 0.01 0.16 1.49 -0.60 0.00 0.00 178.31 179.37 1bam h GLU 167 N 0.00 0.00 0.00 1.51 4.81 -1.78 -1.39 114.58 117.73 1bam h GLU 167 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bam h GLU 167 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1bam h GLU 167 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.56 1bam n LEU 168 N -4.13 0.64 -0.01 1.64 4.77 -0.60 -2.33 117.00 116.97 1bam n LEU 168 Ca 0.02 0.67 0.12 0.00 -0.03 0.00 0.00 56.01 56.78 1bam n LEU 168 Cb 0.29 -0.60 0.19 0.00 -2.33 0.00 0.00 43.42 40.98 1bam n LEU 168 CO 0.31 -0.59 0.38 0.35 -1.33 0.00 0.00 177.39 176.51 1bam n THR 169 N -2.22 0.00 -1.64 -5.08 -2.24 -0.52 -4.94 114.28 97.64 1bam n THR 169 Ca 0.02 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 1bam n THR 169 Cb 0.21 0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 68.81 1bam n THR 169 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bam n GLU 170 N -1.46 1.71 0.00 -0.78 1.02 -0.99 -1.46 120.64 118.69 1bam n GLU 170 Ca 0.06 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 1bam n GLU 170 Cb 0.34 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 1bam n GLU 170 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bam n GLY 171 N 1.00 1.17 3.25 0.62 0.00 -1.26 -5.05 105.19 104.92 1bam n GLY 171 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1bam n GLY 171 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bam s GLN 172 N -0.97 1.06 -0.52 1.61 -1.52 -0.54 -4.97 119.66 113.82 1bam s GLN 172 Ca 0.00 -1.25 -0.28 0.00 -1.95 0.00 0.00 55.36 51.88 1bam s GLN 172 Cb 0.00 -0.98 -0.00 0.00 -0.22 0.00 0.00 33.01 31.81 1bam s GLN 172 CO 0.00 0.19 1.61 -2.14 -0.25 0.00 0.00 175.29 174.70 1bam s PRO 173 N -2.63 3.15 -0.02 2.91 0.02 -1.26 -4.39 135.00 132.78 1bam s PRO 173 Ca 0.09 0.73 -0.03 0.00 0.02 0.00 0.00 61.00 61.81 1bam s PRO 173 Cb -0.05 -4.20 0.00 0.00 0.02 0.00 0.00 34.50 30.27 1bam s PRO 173 CO 0.04 -2.10 0.07 0.12 -0.33 0.00 0.00 177.00 174.80 1bam s PHE 174 N 6.97 -0.02 -0.02 6.54 2.19 -1.26 -2.34 117.98 130.04 1bam s PHE 174 Ca 0.62 0.05 0.01 0.00 0.33 0.00 0.00 56.93 57.95 1bam s PHE 174 Cb -0.14 -0.02 0.01 0.00 -1.31 0.00 0.00 43.02 41.57 1bam s PHE 174 CO 0.26 -0.10 -0.04 0.42 1.83 0.00 0.00 175.22 177.59 1bam s ILE 175 N -0.40 0.39 -0.08 3.12 1.01 -0.37 -1.74 121.20 123.13 1bam s ILE 175 Ca -0.05 -0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.54 1bam s ILE 175 Cb -0.03 -0.39 -0.01 0.00 0.01 0.00 0.00 42.46 42.04 1bam s ILE 175 CO 0.00 0.16 -0.23 -0.36 0.00 0.00 0.00 174.94 174.50 1bam s PHE 176 N 0.50 2.52 -0.09 3.97 0.40 0.13 -1.10 117.98 124.31 1bam s PHE 176 Ca -0.06 -0.82 0.03 0.00 -0.60 0.00 0.00 56.93 55.49 1bam s PHE 176 Cb -0.09 -1.66 0.01 0.00 0.51 0.00 0.00 43.02 41.79 1bam s PHE 176 CO -0.00 -0.28 -0.20 0.42 0.70 0.00 0.00 175.22 175.86 1bam s ILE 177 N 0.04 1.74 -0.24 0.64 1.01 0.37 -0.32 121.20 124.42 1bam s ILE 177 Ca -0.09 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 1bam s ILE 177 Cb -0.15 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 1bam s ILE 177 CO 0.06 0.49 -0.00 -0.83 0.00 0.00 0.00 174.94 174.65 1bam s GLY 178 N 0.51 1.67 0.15 6.18 0.00 0.79 -0.98 107.32 115.65 1bam s GLY 178 Ca -0.16 -1.23 0.04 0.00 0.00 0.00 0.00 44.72 43.37 1bam s GLY 178 CO 0.06 0.50 0.16 -0.11 0.00 0.00 0.00 173.10 173.70 1bam s PHE 179 N 1.50 3.22 0.05 1.90 -0.12 -0.81 -0.31 117.98 123.42 1bam s PHE 179 Ca 0.05 0.02 0.01 0.00 -0.05 0.00 0.00 56.93 56.96 1bam s PHE 179 Cb -0.15 -1.56 -0.03 0.00 -0.63 0.00 0.00 43.02 40.65 1bam s PHE 179 CO -0.01 0.52 -0.05 1.21 -0.05 0.00 0.00 175.22 176.84 1bam s ASN 180 N -3.03 0.70 0.58 1.98 2.47 0.57 -1.97 114.94 116.25 1bam s ASN 180 Ca 0.31 -0.78 -0.14 0.00 0.42 0.00 0.00 52.86 52.67 1bam s ASN 180 Cb -0.11 0.11 -0.05 0.00 -1.45 0.00 0.00 41.25 39.75 1bam s ASN 180 CO 0.24 -0.40 1.02 0.00 -3.72 0.00 0.00 177.10 174.25 1bam s ALA 181 N -2.66 2.94 0.00 1.71 0.00 -1.26 -0.60 121.76 121.89 1bam s ALA 181 Ca -0.01 0.16 0.11 0.00 0.00 0.00 0.00 51.96 52.22 1bam s ALA 181 Cb -0.01 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 1bam s ALA 181 CO -0.04 -0.60 1.39 0.93 0.00 0.00 0.00 175.76 177.44 1bam h GLU 182 N 0.32 0.00 -3.75 0.00 3.07 -1.51 -3.45 114.58 109.26 1bam h GLU 182 Ca -0.46 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.31 1bam h GLU 182 Cb 1.20 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.96 1bam h GLU 182 CO 0.60 0.73 -0.38 0.00 -1.40 0.00 0.00 179.01 178.56 1bam s ALA 183 N -2.90 -0.25 -0.15 3.43 0.00 -1.01 -5.01 121.76 115.87 1bam s ALA 183 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1bam s ALA 183 Cb 0.09 0.43 0.03 0.00 0.00 0.00 0.00 23.12 23.67 1bam s ALA 183 CO 0.78 -0.47 -0.12 0.71 0.00 0.00 0.00 175.76 176.65 1bam s TYR 184 N -3.54 2.07 -0.01 0.00 1.51 -1.26 -1.32 117.35 114.80 1bam s TYR 184 Ca 0.02 -1.18 -0.11 0.00 -1.01 0.00 0.00 57.07 54.79 1bam s TYR 184 Cb 0.03 -1.53 0.01 0.00 -0.11 0.00 0.00 41.96 40.36 1bam s TYR 184 CO -0.09 -0.65 0.24 1.21 -1.11 0.00 0.00 175.55 175.14 1bam s ASN 185 N 1.52 -0.10 -0.00 2.29 3.84 -0.34 -4.88 114.94 117.26 1bam s ASN 185 Ca 0.04 -0.02 0.15 0.00 0.21 0.00 0.00 52.86 53.24 1bam s ASN 185 Cb -0.13 0.28 0.42 0.00 -0.55 0.00 0.00 41.25 41.27 1bam s ASN 185 CO -0.10 -0.40 1.35 -1.54 -2.79 0.00 0.00 177.10 173.62 1bam n SER 186 N 1.42 2.57 -1.22 -4.21 3.41 -1.26 -2.35 113.62 111.98 1bam n SER 186 Ca -0.22 -2.00 0.08 0.00 -0.26 0.00 0.00 58.87 56.47 1bam n SER 186 Cb 0.56 -0.32 0.29 0.00 -0.26 0.00 0.00 64.21 64.48 1bam n SER 186 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1bam n ASN 187 N 0.89 4.13 -4.58 4.04 0.23 -1.26 -4.92 115.26 113.79 1bam n ASN 187 Ca 0.16 -2.43 -0.25 0.00 -0.53 0.00 0.00 54.58 51.53 1bam n ASN 187 Cb 0.41 -0.48 -0.09 0.00 -2.08 0.00 0.00 39.78 37.53 1bam n ASN 187 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1bam s VAL 188 N -1.80 2.60 0.90 3.53 -7.23 -1.26 -5.13 120.40 112.01 1bam s VAL 188 Ca 0.43 -2.12 -0.12 0.00 -1.81 0.00 0.00 61.98 58.36 1bam s VAL 188 Cb 0.28 -2.66 0.13 0.00 0.56 0.00 0.00 36.38 34.69 1bam s VAL 188 CO 0.20 -0.26 1.11 -2.16 -0.31 0.00 0.00 175.10 173.67 1bam s PRO 189 N -3.64 1.22 0.30 4.82 0.04 -1.26 -4.72 135.00 131.75 1bam s PRO 189 Ca 0.33 0.54 -0.12 0.00 0.04 0.00 0.00 61.00 61.79 1bam s PRO 189 Cb -0.01 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.62 1bam s PRO 189 CO 0.18 -2.20 0.66 -0.51 0.04 0.00 0.00 177.00 175.17 1bam s LEU 190 N -6.12 4.07 -0.08 -3.56 1.43 -1.26 -4.47 118.68 108.69 1bam s LEU 190 Ca 0.63 1.08 -0.23 0.00 -1.03 0.00 0.00 54.13 54.59 1bam s LEU 190 Cb -0.16 -3.88 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 1bam s LEU 190 CO 0.55 -0.18 0.67 -0.63 0.23 0.00 0.00 176.35 176.99 1bam s ILE 191 N -1.99 5.06 0.62 -0.59 1.01 -1.26 -4.99 121.20 119.06 1bam s ILE 191 Ca 0.50 1.38 -0.18 0.00 0.00 0.00 0.00 60.65 62.35 1bam s ILE 191 Cb -0.11 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 1bam s ILE 191 CO 0.22 0.25 1.27 -2.84 0.00 0.00 0.00 174.94 173.83 1bam s PRO 192 N 0.84 2.73 0.27 2.79 0.02 -1.26 -1.00 135.00 139.38 1bam s PRO 192 Ca 0.36 1.99 -0.02 0.00 0.02 0.00 0.00 61.00 63.34 1bam s PRO 192 Cb -0.17 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 1bam s PRO 192 CO 0.17 -1.44 0.49 0.15 -0.33 0.00 0.00 177.00 176.04 1bam s LYS 193 N -3.34 3.55 0.00 5.54 1.02 -1.26 -3.80 119.74 121.45 1bam s LYS 193 Ca 0.80 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.59 1bam s LYS 193 Cb -0.35 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 1bam s LYS 193 CO 0.37 0.27 0.00 0.41 -0.92 0.00 0.00 175.35 175.48 1bam n GLY 194 N -1.05 -0.04 0.22 -3.33 0.00 -1.26 -3.37 105.19 96.35 1bam n GLY 194 Ca -0.04 -1.79 -0.03 0.00 0.00 0.00 0.00 46.02 44.16 1bam n GLY 194 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1bam h SER 195 N 0.00 0.40 -0.63 1.61 0.87 -1.96 -2.73 113.55 111.11 1bam h SER 195 Ca 0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1bam h SER 195 Cb 0.00 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1bam h SER 195 CO 0.00 0.72 0.00 -0.90 -0.53 0.00 0.00 176.83 176.12 1bam n ASP 196 N -4.07 4.30 -0.17 6.23 5.68 -1.26 -4.41 116.55 122.86 1bam n ASP 196 Ca -0.01 -2.31 0.09 0.00 -0.50 0.00 0.00 54.79 52.06 1bam n ASP 196 Cb 0.45 -0.54 0.40 0.00 -1.14 0.00 0.00 41.12 40.30 1bam n ASP 196 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1bam h GLY 197 N 4.36 0.88 -5.49 6.12 0.00 -1.49 -3.40 103.07 104.04 1bam h GLY 197 Ca 0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 47.33 46.72 1bam h GLY 197 CO 0.17 0.16 -0.76 1.06 0.00 0.00 0.00 176.54 177.17 1bam s MET 198 N -5.58 0.53 0.79 4.80 -1.94 -1.26 -4.79 119.30 111.84 1bam s MET 198 Ca -0.09 -0.19 -0.12 0.00 -1.71 0.00 0.00 55.69 53.58 1bam s MET 198 Cb 0.20 -0.52 0.06 0.00 2.01 0.00 0.00 34.83 36.58 1bam s MET 198 CO 0.77 0.09 1.13 -1.54 -0.01 0.00 0.00 175.02 175.46 1bam s SER 199 N 0.05 4.67 0.40 3.03 1.04 -1.26 -4.84 113.70 116.77 1bam s SER 199 Ca -0.00 1.04 0.12 0.00 0.48 0.00 0.00 55.95 57.59 1bam s SER 199 Cb -0.04 -1.71 0.81 0.00 0.10 0.00 0.00 66.02 65.18 1bam s SER 199 CO -0.00 -1.83 1.90 0.11 0.98 0.00 0.00 173.24 174.40 1bam h LYS 200 N -1.00 0.09 -0.61 4.02 1.57 -1.98 -0.53 116.57 118.13 1bam h LYS 200 Ca -0.47 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.21 1bam h LYS 200 Cb 1.29 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 1bam h LYS 200 CO 0.63 0.33 0.07 0.00 -0.57 0.00 0.00 179.45 179.91 1bam h ARG 201 N 0.09 1.01 -0.14 3.15 3.08 -1.98 0.10 114.38 119.68 1bam h ARG 201 Ca 0.01 -0.27 -0.16 0.00 0.07 0.00 0.00 59.98 59.64 1bam h ARG 201 Cb 0.47 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1bam h ARG 201 CO 0.03 0.94 -0.57 0.77 -1.07 0.00 0.00 179.97 180.07 1bam h SER 202 N 0.94 0.50 -0.25 7.04 0.02 -1.63 -0.95 113.55 119.23 1bam h SER 202 Ca 0.19 -0.28 -0.14 0.00 -0.84 0.00 0.00 61.79 60.72 1bam h SER 202 Cb 0.44 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1bam h SER 202 CO 0.01 0.97 -0.40 0.40 -1.14 0.00 0.00 176.83 176.67 1bam h ILE 203 N 0.34 1.31 -0.25 3.27 1.08 -0.85 -1.31 117.51 121.09 1bam h ILE 203 Ca 0.00 -1.60 -0.10 0.00 -0.39 0.00 0.00 64.86 62.77 1bam h ILE 203 Cb 1.10 1.73 -0.01 0.00 -3.07 0.00 0.00 36.82 36.57 1bam h ILE 203 CO 0.10 0.51 -0.25 0.11 -0.69 0.00 0.00 178.15 177.93 1bam h LYS 204 N 0.43 0.47 -0.51 2.37 1.57 -0.73 0.29 116.57 120.47 1bam h LYS 204 Ca 0.02 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 1bam h LYS 204 Cb 1.00 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 1bam h LYS 204 CO 0.09 0.69 -0.14 0.87 -0.57 0.00 0.00 179.45 180.39 1bam h LYS 205 N 0.42 0.99 -0.45 3.15 1.57 -1.07 -1.24 116.57 119.93 1bam h LYS 205 Ca 0.06 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 1bam h LYS 205 Cb 0.67 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1bam h LYS 205 CO 0.05 1.05 0.17 2.35 -0.57 0.00 0.00 179.45 182.50 1bam h TRP 206 N 0.87 0.70 -0.74 -1.35 7.01 -0.77 -2.44 115.95 119.23 1bam h TRP 206 Ca 0.13 -0.06 0.03 0.00 2.11 0.00 0.00 58.89 61.10 1bam h TRP 206 Cb 0.71 -0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 27.51 1bam h TRP 206 CO 0.05 0.61 0.47 -0.22 -2.79 0.00 0.00 178.44 176.55 1bam h LYS 207 N 0.59 0.88 -0.37 2.65 3.64 -0.02 -0.86 116.57 123.09 1bam h LYS 207 Ca 0.15 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1bam h LYS 207 Cb 0.21 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1bam h LYS 207 CO -0.01 0.59 0.24 -0.44 -2.27 0.00 0.00 179.45 177.55 1bam h ASP 208 N 0.91 0.43 -0.93 4.20 3.32 -0.95 -0.06 116.42 123.34 1bam h ASP 208 Ca 0.30 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.36 1bam h ASP 208 Cb 0.01 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.40 1bam h ASP 208 CO -0.11 0.33 0.60 0.11 -1.72 0.00 0.00 179.24 178.45 1bam h LYS 209 N 0.49 1.13 -0.93 3.56 1.79 -0.95 1.12 116.57 122.78 1bam h LYS 209 Ca 0.13 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1bam h LYS 209 Cb -0.04 -0.25 -0.05 0.00 -1.58 0.00 0.00 32.23 30.31 1bam h LYS 209 CO -0.03 0.75 0.61 0.28 -1.08 0.00 0.00 179.45 179.98 1bam h VAL 210 N 1.16 1.24 -0.23 0.50 2.07 -0.47 -2.55 116.25 117.97 1bam h VAL 210 Ca 0.37 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1bam h VAL 210 Cb 0.02 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.66 1bam h VAL 210 CO -0.13 0.24 0.00 -0.62 0.02 0.00 0.00 177.57 177.08 1bam n GLU 211 N -4.39 2.27 -2.96 1.57 1.02 -0.10 -5.00 120.64 113.05 1bam n GLU 211 Ca 0.11 -1.90 -0.03 0.00 -0.02 0.00 0.00 57.16 55.33 1bam n GLU 211 Cb 0.02 -1.48 0.01 0.00 -0.02 0.00 0.00 31.44 29.97 1bam n GLU 211 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1bam n ASN 212 N 1.16 -7.13 0.00 1.62 3.02 0.37 -5.03 115.26 109.27 1bam n ASN 212 Ca 0.17 -0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1bam n ASN 212 Cb 0.54 -4.94 0.00 0.00 -0.61 0.00 0.00 39.78 34.77 1bam n ASN 212 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93