#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bam s GLU 2 N 0.00 1.24 -0.53 2.12 0.41 0.53 -4.28 118.70 118.20 2bam s GLU 2 Ca 0.00 -1.25 -0.18 0.00 -0.41 0.00 0.00 54.97 53.13 2bam s GLU 2 Cb 0.00 -1.57 0.08 0.00 -1.78 0.00 0.00 34.13 30.85 2bam s GLU 2 CO 0.00 0.37 0.61 0.08 -0.49 0.00 0.00 175.26 175.82 2bam s VAL 3 N -1.19 4.93 -0.20 2.63 1.01 -1.26 0.87 120.40 127.19 2bam s VAL 3 Ca 0.10 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 2bam s VAL 3 Cb -0.10 -4.33 -0.20 0.00 0.00 0.00 0.00 36.38 31.76 2bam s VAL 3 CO 0.05 -0.86 0.28 -0.08 0.00 0.00 0.00 175.10 174.49 2bam h GLU 4 N 9.00 0.00 -6.43 2.72 4.81 -1.62 -3.48 114.58 119.58 2bam h GLU 4 Ca -0.28 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.32 2bam h GLU 4 Cb 1.10 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.33 2bam h GLU 4 CO 0.99 0.98 -0.73 0.15 -0.73 0.00 0.00 179.01 179.67 2bam s LYS 5 N -2.34 2.03 -0.29 1.92 1.02 -1.13 -5.01 119.74 115.94 2bam s LYS 5 Ca -0.27 -1.31 -0.16 0.00 0.02 0.00 0.00 55.97 54.25 2bam s LYS 5 Cb 0.05 -2.13 0.13 0.00 -0.52 0.00 0.00 37.83 35.36 2bam s LYS 5 CO 0.60 0.42 0.88 -2.00 -0.92 0.00 0.00 175.35 174.33 2bam s GLU 6 N -2.89 0.47 -0.12 1.68 2.12 -1.26 -0.42 118.70 118.29 2bam s GLU 6 Ca 0.25 0.85 0.01 0.00 0.36 0.00 0.00 54.97 56.44 2bam s GLU 6 Cb -0.08 0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.44 2bam s GLU 6 CO 0.15 -0.11 -0.14 0.12 -0.54 0.00 0.00 175.26 174.75 2bam s PHE 7 N 1.56 2.79 -0.19 5.30 5.99 0.16 -4.97 117.98 128.62 2bam s PHE 7 Ca -0.09 -0.58 -0.01 0.00 0.00 0.00 0.00 56.93 56.25 2bam s PHE 7 Cb -0.04 -1.81 0.05 0.00 0.00 0.00 0.00 43.02 41.22 2bam s PHE 7 CO -0.17 -0.16 -0.01 0.42 -0.00 0.00 0.00 175.22 175.30 2bam s ILE 8 N 0.19 0.95 0.87 3.12 1.01 -1.26 0.32 121.20 126.40 2bam s ILE 8 Ca -0.08 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 59.72 2bam s ILE 8 Cb -0.15 -1.29 0.07 0.00 0.01 0.00 0.00 42.46 41.11 2bam s ILE 8 CO 0.05 -0.07 0.88 0.35 0.00 0.00 0.00 174.94 176.15 2bam n THR 9 N 4.90 0.84 -0.36 2.92 -2.24 -0.66 -4.65 114.28 115.04 2bam n THR 9 Ca -0.10 -0.17 0.07 0.00 -2.27 0.00 0.00 64.05 61.58 2bam n THR 9 Cb 0.47 -0.92 0.23 0.00 -2.10 0.00 0.00 70.33 68.01 2bam n THR 9 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2bam h ASP 10 N -1.32 0.94 0.17 3.42 3.45 -1.90 -0.94 116.42 120.23 2bam h ASP 10 Ca -0.44 0.04 -0.09 0.00 0.43 0.00 0.00 57.03 56.97 2bam h ASP 10 Cb 1.29 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.90 2bam h ASP 10 CO 0.41 0.51 -0.32 -0.33 -1.57 0.00 0.00 179.24 177.94 2bam h GLU 11 N 1.01 0.23 -0.00 3.56 3.07 -1.90 -2.08 114.58 118.48 2bam h GLU 11 Ca 0.49 -0.09 -0.21 0.00 -0.50 0.00 0.00 59.36 59.05 2bam h GLU 11 Cb 0.46 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 2bam h GLU 11 CO -0.26 0.53 -0.91 0.00 -1.40 0.00 0.00 179.01 176.97 2bam h ALA 12 N 1.47 0.43 -0.55 3.43 0.00 -1.53 -3.11 119.26 119.40 2bam h ALA 12 Ca 0.03 -0.71 -0.09 0.00 0.00 0.00 0.00 54.91 54.14 2bam h ALA 12 Cb 0.66 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2bam h ALA 12 CO 0.05 0.85 0.00 0.87 0.00 0.00 0.00 179.25 181.02 2bam h LYS 13 N 0.19 0.94 -0.53 0.00 1.57 -1.00 -1.36 116.57 116.38 2bam h LYS 13 Ca -0.07 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.41 2bam h LYS 13 Cb 1.54 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.73 2bam h LYS 13 CO 0.15 0.93 0.19 1.49 -0.57 0.00 0.00 179.45 181.64 2bam h GLU 14 N 0.87 0.78 0.05 3.15 4.57 -1.38 -2.13 114.58 120.48 2bam h GLU 14 Ca 0.16 -0.12 -0.22 0.00 -1.18 0.00 0.00 59.36 58.00 2bam h GLU 14 Cb 0.51 -0.13 0.02 0.00 -0.16 0.00 0.00 28.75 28.98 2bam h GLU 14 CO 0.02 0.66 -0.89 -0.07 -1.18 0.00 0.00 179.01 177.55 2bam h LEU 15 N 0.76 0.70 -1.98 1.64 3.38 -1.45 -2.64 115.31 115.73 2bam h LEU 15 Ca 0.18 -0.80 -0.00 0.00 0.09 0.00 0.00 57.88 57.35 2bam h LEU 15 Cb 0.19 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2bam h LEU 15 CO -0.01 1.41 -0.02 -0.07 0.09 0.00 0.00 178.44 179.84 2bam h LEU 16 N 0.07 0.00 0.00 1.67 3.38 -1.09 0.49 115.31 119.82 2bam h LEU 16 Ca -0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2bam h LEU 16 Cb 1.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 2bam h LEU 16 CO 0.17 0.02 -1.59 -1.54 0.09 0.00 0.00 178.44 175.60 2bam n SER 17 N -4.48 0.43 -0.00 -0.43 3.41 -0.81 -4.57 113.62 107.17 2bam n SER 17 Ca -0.03 0.17 0.03 0.00 -0.26 0.00 0.00 58.87 58.78 2bam n SER 17 Cb 0.11 1.09 -0.05 0.00 -0.26 0.00 0.00 64.21 65.09 2bam n SER 17 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2bam n LYS 18 N -2.54 0.39 -3.91 4.33 5.02 -0.99 -4.99 118.16 115.46 2bam n LYS 18 Ca -0.06 -0.06 -0.35 0.00 -2.02 0.00 0.00 58.31 55.82 2bam n LYS 18 Cb 0.65 -1.16 -0.14 0.00 -0.02 0.00 0.00 35.03 34.36 2bam n LYS 18 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2bam s ASP 19 N -2.84 4.35 0.13 4.39 -1.08 0.17 -5.00 116.67 116.78 2bam s ASP 19 Ca -0.03 -0.56 -0.20 0.00 -0.52 0.00 0.00 52.55 51.25 2bam s ASP 19 Cb 0.04 -1.73 -0.04 0.00 -1.46 0.00 0.00 42.92 39.74 2bam s ASP 19 CO 0.28 -0.07 1.72 0.50 0.52 0.00 0.00 175.17 178.13 2bam h LYS 20 N 8.10 0.06 -0.94 4.34 3.64 -1.92 -1.87 116.57 127.98 2bam h LYS 20 Ca -0.38 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.11 2bam h LYS 20 Cb 1.14 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.87 2bam h LYS 20 CO 0.60 0.04 0.60 -0.07 -2.27 0.00 0.00 179.45 178.35 2bam h LEU 21 N 0.06 0.80 -0.48 5.20 3.38 -1.94 0.43 115.31 122.75 2bam h LEU 21 Ca 0.09 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 2bam h LEU 21 Cb 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2bam h LEU 21 CO -0.15 0.43 -0.74 0.40 0.09 0.00 0.00 178.44 178.47 2bam h ILE 22 N 0.86 1.46 -0.47 1.22 1.08 -1.78 -0.01 117.51 119.88 2bam h ILE 22 Ca 0.46 -2.35 -0.08 0.00 -0.39 0.00 0.00 64.86 62.50 2bam h ILE 22 Cb 0.55 2.27 -0.02 0.00 -3.07 0.00 0.00 36.82 36.54 2bam h ILE 22 CO -0.22 0.68 -0.01 1.56 -0.69 0.00 0.00 178.15 179.47 2bam h GLN 23 N 0.11 0.84 -0.32 2.37 4.20 -0.09 0.20 115.11 122.42 2bam h GLN 23 Ca -0.02 -0.27 -0.04 0.00 0.06 0.00 0.00 58.65 58.37 2bam h GLN 23 Cb 1.30 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 2bam h GLN 23 CO 0.11 0.89 0.03 0.37 -0.67 0.00 0.00 178.83 179.56 2bam h GLN 24 N 0.69 0.54 -0.73 1.46 4.15 -0.18 -1.03 115.11 120.00 2bam h GLN 24 Ca 0.13 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2bam h GLN 24 Cb 0.52 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.12 2bam h GLN 24 CO 0.03 0.65 0.48 0.00 -1.93 0.00 0.00 178.83 178.05 2bam h ALA 25 N 0.87 0.93 -0.42 3.38 0.00 -0.81 -1.10 119.26 122.11 2bam h ALA 25 Ca 0.09 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2bam h ALA 25 Cb 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2bam h ALA 25 CO 0.01 0.36 -0.25 -0.92 0.00 0.00 0.00 179.25 178.45 2bam h TYR 26 N 1.00 1.00 -0.40 0.00 3.20 -0.50 -2.73 116.97 118.53 2bam h TYR 26 Ca 0.27 -0.25 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 2bam h TYR 26 Cb -0.09 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 2bam h TYR 26 CO -0.02 1.02 0.15 -0.97 -1.64 0.00 0.00 178.16 176.70 2bam h ASN 27 N 0.75 0.55 -0.24 -2.11 -0.00 -0.75 -2.25 115.58 111.54 2bam h ASN 27 Ca 0.09 -0.18 -0.06 0.00 -0.00 0.00 0.00 56.30 56.16 2bam h ASN 27 Cb 0.80 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.96 2bam h ASN 27 CO 0.07 0.58 -0.03 -0.33 -0.00 0.00 0.00 177.43 177.71 2bam h GLU 28 N 0.49 0.57 -0.12 6.67 5.08 -1.17 -2.19 114.58 123.91 2bam h GLU 28 Ca 0.13 -0.14 -0.23 0.00 -1.00 0.00 0.00 59.36 58.12 2bam h GLU 28 Cb 0.21 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.39 2bam h GLU 28 CO -0.01 0.62 -0.83 -0.24 -1.00 0.00 0.00 179.01 177.55 2bam h VAL 29 N 0.54 1.29 -0.11 3.13 3.04 -1.28 -2.63 116.25 120.23 2bam h VAL 29 Ca 0.11 -2.05 -0.01 0.00 -1.01 0.00 0.00 66.70 63.74 2bam h VAL 29 Cb 0.40 2.07 -0.00 0.00 -2.01 0.00 0.00 31.29 31.75 2bam h VAL 29 CO 0.02 0.64 0.04 0.11 -1.01 0.00 0.00 177.57 177.37 2bam h LYS 30 N 0.49 0.17 -0.33 4.17 1.57 -1.31 0.38 116.57 121.70 2bam h LYS 30 Ca -0.07 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2bam h LYS 30 Cb 1.46 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.73 2bam h LYS 30 CO 0.17 0.30 0.20 1.79 -0.57 0.00 0.00 179.45 181.34 2bam h THR 31 N 0.01 1.09 -0.08 -0.16 1.35 -1.48 -2.13 112.91 111.51 2bam h THR 31 Ca 0.04 -0.20 -0.18 0.00 -0.55 0.00 0.00 66.41 65.52 2bam h THR 31 Cb 0.20 0.63 0.01 0.00 -1.73 0.00 0.00 68.15 67.26 2bam h THR 31 CO -0.00 0.09 -0.67 0.28 -0.25 0.00 0.00 175.52 174.97 2bam h SER 32 N 0.44 0.72 0.88 5.36 0.02 -1.04 -2.91 113.55 117.03 2bam h SER 32 Ca 0.12 -0.68 -0.02 0.00 -0.84 0.00 0.00 61.79 60.37 2bam h SER 32 Cb -0.03 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 2bam h SER 32 CO -0.02 1.29 -0.08 -0.29 -1.14 0.00 0.00 176.83 176.59 2bam h ILE 33 N 0.21 0.22 0.00 3.27 6.09 -0.59 -2.06 117.51 124.65 2bam h ILE 33 Ca -0.06 -0.67 0.00 0.00 -1.37 0.00 0.00 64.86 62.76 2bam h ILE 33 Cb 1.32 1.55 0.00 0.00 0.47 0.00 0.00 36.82 40.16 2bam h ILE 33 CO 0.14 0.08 -0.31 0.00 -3.07 0.00 0.00 178.15 174.98 2bam h SER 35 N 0.00 0.89 -1.93 0.00 0.02 -1.16 0.66 113.55 112.03 2bam h SER 35 Ca 0.00 -0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 60.29 2bam h SER 35 Cb 0.85 -0.21 0.06 0.00 0.14 0.00 0.00 62.40 63.24 2bam h SER 35 CO 0.00 0.63 0.50 -2.65 -1.14 0.00 0.00 176.83 174.16 2bam n PRO 36 N -4.56 1.42 -4.39 3.45 -0.02 -1.26 -4.61 135.00 125.04 2bam n PRO 36 Ca 0.09 0.51 -0.20 0.00 -2.02 0.00 0.00 63.50 61.88 2bam n PRO 36 Cb 0.05 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.28 2bam n PRO 36 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2bam s ILE 37 N 0.38 1.69 -0.29 4.25 -5.25 -1.26 -1.58 121.20 119.15 2bam s ILE 37 Ca 0.80 -2.17 -0.15 0.00 -0.99 0.00 0.00 60.65 58.13 2bam s ILE 37 Cb -0.85 -2.24 0.13 0.00 2.95 0.00 0.00 42.46 42.45 2bam s ILE 37 CO 0.46 -0.45 0.86 0.86 -1.79 0.00 0.00 174.94 174.89 2bam s TRP 38 N -2.99 -0.83 0.62 1.37 -0.11 -0.39 -4.65 118.94 111.94 2bam s TRP 38 Ca 0.26 1.57 -0.10 0.00 1.22 0.00 0.00 56.10 59.04 2bam s TRP 38 Cb 0.01 0.50 0.15 0.00 -1.50 0.00 0.00 33.47 32.63 2bam s TRP 38 CO 0.09 -0.41 0.71 -0.35 -4.62 0.00 0.00 176.95 172.37 2bam n PRO 39 N 4.41 -1.33 0.26 5.86 -0.04 -1.26 -1.77 135.00 141.13 2bam n PRO 39 Ca -0.16 -1.11 0.18 0.00 -0.04 0.00 0.00 63.50 62.37 2bam n PRO 39 Cb 0.55 -0.85 0.90 0.00 -0.04 0.00 0.00 33.50 34.07 2bam n PRO 39 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bam h ALA 40 N -2.09 1.53 0.00 0.55 0.00 -1.96 -0.87 119.26 116.42 2bam h ALA 40 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2bam h ALA 40 Cb 0.70 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2bam h ALA 40 CO 0.17 -0.28 -0.02 1.79 0.00 0.00 0.00 179.25 180.91 2bam h THR 41 N 0.00 0.00 -3.60 0.00 1.35 -1.96 -3.47 112.91 105.24 2bam h THR 41 Ca 0.05 -0.93 -0.49 0.00 -0.55 0.00 0.00 66.41 64.50 2bam h THR 41 Cb 0.49 1.92 0.04 0.00 -1.73 0.00 0.00 68.15 68.87 2bam h THR 41 CO -0.00 0.00 0.13 -0.55 -0.25 0.00 0.00 175.52 174.85 2bam s SER 42 N -5.96 6.14 0.00 5.36 0.15 -0.33 -4.99 113.70 114.06 2bam s SER 42 Ca 0.07 0.90 0.23 0.00 0.70 0.00 0.00 55.95 57.85 2bam s SER 42 Cb 0.06 -2.15 0.07 0.00 -1.71 0.00 0.00 66.02 62.29 2bam s SER 42 CO 0.66 -0.67 1.11 1.17 1.20 0.00 0.00 173.24 176.71 2bam n LYS 43 N -2.33 0.00 -4.46 5.44 0.00 -1.26 -4.67 118.16 110.88 2bam n LYS 43 Ca 0.01 -0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.10 2bam n LYS 43 Cb 0.56 -1.50 -0.11 0.00 0.00 0.00 0.00 35.03 33.98 2bam n LYS 43 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2bam s THR 44 N -3.00 1.36 -0.32 3.15 -4.23 -1.26 -4.89 115.64 106.44 2bam s THR 44 Ca 0.09 -2.02 -0.13 0.00 -1.18 0.00 0.00 61.69 58.44 2bam s THR 44 Cb 0.17 -2.74 -0.02 0.00 1.34 0.00 0.00 72.50 71.25 2bam s THR 44 CO 0.80 -0.07 0.28 0.12 -0.54 0.00 0.00 174.62 175.21 2bam s PHE 45 N -3.18 3.22 -0.10 3.99 2.19 -1.26 -1.27 117.98 121.57 2bam s PHE 45 Ca 0.35 -0.04 0.02 0.00 0.33 0.00 0.00 56.93 57.59 2bam s PHE 45 Cb 0.08 -2.53 -0.01 0.00 -1.31 0.00 0.00 43.02 39.25 2bam s PHE 45 CO 0.15 -0.33 -0.18 0.99 1.83 0.00 0.00 175.22 177.67 2bam s THR 46 N 1.86 2.60 -0.16 0.12 2.01 -0.73 0.25 115.64 121.59 2bam s THR 46 Ca 0.09 -0.83 -0.06 0.00 0.31 0.00 0.00 61.69 61.20 2bam s THR 46 Cb -0.17 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 2bam s THR 46 CO 0.11 0.55 0.03 -0.51 -0.69 0.00 0.00 174.62 174.11 2bam s ILE 47 N 0.20 4.51 0.06 1.82 1.10 -0.23 -4.64 121.20 124.02 2bam s ILE 47 Ca -0.11 -0.14 -0.31 0.00 -0.51 0.00 0.00 60.65 59.58 2bam s ILE 47 Cb -0.16 -3.00 -0.07 0.00 0.15 0.00 0.00 42.46 39.37 2bam s ILE 47 CO 0.06 0.49 1.52 0.21 -2.11 0.00 0.00 174.94 175.11 2bam s ASN 48 N 0.20 6.72 -0.31 4.50 3.84 -1.25 -1.83 114.94 126.82 2bam s ASN 48 Ca 0.02 2.35 0.08 0.00 0.21 0.00 0.00 52.86 55.52 2bam s ASN 48 Cb -0.13 -2.57 0.50 0.00 -0.55 0.00 0.00 41.25 38.51 2bam s ASN 48 CO 0.01 -0.79 1.48 -0.46 -2.79 0.00 0.00 177.10 174.55 2bam n ASN 49 N 5.09 2.85 -0.22 -4.21 6.94 -1.17 -4.78 115.26 119.76 2bam n ASN 49 Ca 0.14 -3.80 -0.07 0.00 -0.02 0.00 0.00 54.58 50.84 2bam n ASN 49 Cb 0.42 -0.63 0.04 0.00 -2.36 0.00 0.00 39.78 37.24 2bam n ASN 49 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 2bam h THR 50 N 1.09 1.20 -3.71 5.53 1.35 -1.91 -3.46 112.91 112.99 2bam h THR 50 Ca 0.26 -0.52 -0.08 0.00 -0.55 0.00 0.00 66.41 65.52 2bam h THR 50 Cb 1.64 0.41 -0.13 0.00 -1.73 0.00 0.00 68.15 68.33 2bam h THR 50 CO 0.48 0.22 -0.29 -0.70 -0.25 0.00 0.00 175.52 174.98 2bam s GLU 51 N -5.83 0.95 0.30 4.72 2.12 -1.26 -5.10 118.70 114.60 2bam s GLU 51 Ca -0.13 -0.93 -0.29 0.00 0.36 0.00 0.00 54.97 53.98 2bam s GLU 51 Cb 0.13 0.38 -0.11 0.00 0.26 0.00 0.00 34.13 34.80 2bam s GLU 51 CO 0.78 -0.33 1.48 0.21 -0.54 0.00 0.00 175.26 176.86 2bam s LYS 52 N -3.86 4.20 -1.44 4.30 2.20 -1.26 -2.66 119.74 121.21 2bam s LYS 52 Ca 0.06 2.43 -0.07 0.00 -0.36 0.00 0.00 55.97 58.04 2bam s LYS 52 Cb 0.04 -3.05 0.03 0.00 -1.51 0.00 0.00 37.83 33.34 2bam s LYS 52 CO -0.10 -0.48 0.57 0.09 -0.36 0.00 0.00 175.35 175.08 2bam n ASN 53 N 1.68 -5.13 0.13 1.43 5.03 0.37 -4.91 115.26 113.87 2bam n ASN 53 Ca 0.05 -0.33 0.02 0.00 0.87 0.00 0.00 54.58 55.18 2bam n ASN 53 Cb 0.39 -4.17 0.01 0.00 -1.02 0.00 0.00 39.78 34.99 2bam n ASN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2bam s ASN 55 N -6.45 6.29 0.96 0.00 0.01 0.42 -4.74 114.94 111.43 2bam s ASN 55 Ca 0.03 0.36 -0.16 0.00 -0.71 0.00 0.00 52.86 52.39 2bam s ASN 55 Cb 0.08 -1.98 0.20 0.00 0.41 0.00 0.00 41.25 39.96 2bam s ASN 55 CO 0.75 0.31 1.32 -0.83 -1.51 0.00 0.00 177.10 177.14 2bam s GLY 56 N -1.63 1.79 0.00 0.66 0.00 0.31 -1.07 107.32 107.38 2bam s GLY 56 Ca 0.23 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.70 2bam s GLY 56 CO 0.14 -0.47 0.04 1.55 0.00 0.00 0.00 173.10 174.36 2bam n VAL 57 N -3.76 0.00 -0.15 1.40 3.14 -1.26 -4.71 118.33 112.99 2bam n VAL 57 Ca 0.16 -0.41 -0.05 0.00 -2.96 0.00 0.00 64.34 61.07 2bam n VAL 57 Cb 0.59 1.02 0.01 0.00 -1.06 0.00 0.00 33.84 34.40 2bam n VAL 57 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2bam h VAL 58 N 0.02 0.28 0.00 1.55 2.07 -1.95 -2.65 116.25 115.56 2bam h VAL 58 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2bam h VAL 58 Cb 0.01 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 2bam h VAL 58 CO 0.00 0.00 0.00 -0.65 0.02 0.00 0.00 177.57 176.94 2bam h PRO 59 N -0.16 0.00 -0.80 1.57 0.11 -1.90 -3.33 132.00 127.49 2bam h PRO 59 Ca 0.22 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.44 2bam h PRO 59 Cb 0.51 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.54 2bam h PRO 59 CO -0.58 0.00 0.42 0.82 -0.21 0.00 0.00 178.00 178.45 2bam h ILE 60 N 0.00 0.82 0.00 4.15 2.04 -1.83 -2.88 117.51 119.81 2bam h ILE 60 Ca 0.00 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2bam h ILE 60 Cb 0.23 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2bam h ILE 60 CO 0.00 0.12 -0.06 0.07 0.00 0.00 0.00 178.15 178.28 2bam h LYS 61 N 0.67 0.00 0.00 2.37 2.10 -1.78 -3.40 116.57 116.52 2bam h LYS 61 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 2bam h LYS 61 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 2bam h LYS 61 CO -0.30 0.06 0.00 0.39 -2.00 0.00 0.00 179.45 177.60 2bam n GLU 62 N -3.16 0.00 0.19 0.07 1.02 -1.09 -1.82 120.64 115.84 2bam n GLU 62 Ca 0.01 0.84 0.14 0.00 -0.02 0.00 0.00 57.16 58.13 2bam n GLU 62 Cb 0.38 -1.39 0.72 0.00 -0.02 0.00 0.00 31.44 31.13 2bam n GLU 62 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2bam h LEU 63 N 0.00 0.00 -0.27 -4.62 3.38 -1.81 -0.69 115.31 111.30 2bam h LEU 63 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2bam h LEU 63 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2bam h LEU 63 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 2bam h TYR 65 N 0.26 0.22 0.08 0.00 0.05 -0.47 -2.46 116.97 114.66 2bam h TYR 65 Ca 0.08 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2bam h TYR 65 Cb 0.41 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.11 2bam h TYR 65 CO 0.03 0.64 -0.04 1.15 -1.05 0.00 0.00 178.16 178.90 2bam h THR 66 N 0.15 1.07 -0.19 -2.88 2.02 -1.06 0.83 112.91 112.85 2bam h THR 66 Ca 0.01 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 2bam h THR 66 Cb 0.93 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 2bam h THR 66 CO 0.07 0.13 0.11 0.25 0.37 0.00 0.00 175.52 176.45 2bam h LEU 67 N -0.34 0.23 -0.50 2.58 5.85 -1.44 0.30 115.31 121.98 2bam h LEU 67 Ca -0.01 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.67 2bam h LEU 67 Cb 0.29 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2bam h LEU 67 CO 0.02 0.23 0.28 -0.07 -0.34 0.00 0.00 178.44 178.56 2bam h LEU 68 N 0.21 0.43 0.00 2.25 3.38 -1.42 0.13 115.31 120.29 2bam h LEU 68 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2bam h LEU 68 Cb 0.05 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2bam h LEU 68 CO -0.01 0.30 0.00 -0.62 0.09 0.00 0.00 178.44 178.20 2bam n GLU 69 N -4.84 0.00 0.23 1.13 1.02 0.28 0.44 120.64 118.90 2bam n GLU 69 Ca 0.04 0.43 -0.16 0.00 -0.02 0.00 0.00 57.16 57.44 2bam n GLU 69 Cb 0.10 -1.03 -0.09 0.00 -0.02 0.00 0.00 31.44 30.40 2bam n GLU 69 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2bam h ASP 70 N 0.00 -1.29 0.20 1.62 5.19 -0.54 -0.34 116.42 121.25 2bam h ASP 70 Ca 0.00 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 2bam h ASP 70 Cb 0.00 0.44 0.00 0.00 0.18 0.00 0.00 39.33 39.95 2bam h ASP 70 CO 0.00 -0.58 -0.09 0.74 -3.12 0.00 0.00 179.24 176.18 2bam h THR 71 N -0.87 0.76 -0.01 0.35 2.02 -1.45 -3.36 112.91 110.35 2bam h THR 71 Ca -0.05 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.10 2bam h THR 71 Cb 0.77 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 2bam h THR 71 CO -0.10 0.19 -0.00 -1.22 0.37 0.00 0.00 175.52 174.76 2bam n TYR 72 N -4.96 0.00 -3.65 3.16 0.53 0.41 -4.96 117.16 107.68 2bam n TYR 72 Ca -0.08 0.00 -0.26 0.00 -1.02 0.00 0.00 57.90 56.54 2bam n TYR 72 Cb 0.26 -0.00 0.05 0.00 -1.03 0.00 0.00 39.34 38.62 2bam n TYR 72 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 2bam n ASN 73 N -0.02 -5.63 -4.86 7.72 5.03 -0.14 -4.91 115.26 112.45 2bam n ASN 73 Ca 0.20 -0.60 -0.31 0.00 0.87 0.00 0.00 54.58 54.73 2bam n ASN 73 Cb 0.32 -4.47 0.01 0.00 -1.02 0.00 0.00 39.78 34.61 2bam n ASN 73 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2bam s TRP 74 N -3.28 3.55 -0.30 3.10 0.52 0.17 -4.96 118.94 117.74 2bam s TRP 74 Ca 0.58 1.33 -0.10 0.00 0.02 0.00 0.00 56.10 57.93 2bam s TRP 74 Cb -0.28 -2.75 -0.03 0.00 -1.15 0.00 0.00 33.47 29.27 2bam s TRP 74 CO 0.72 -0.69 0.17 -0.47 0.02 0.00 0.00 176.95 176.70 2bam s TYR 75 N -3.07 3.19 0.56 -1.98 5.04 0.11 -4.52 117.35 116.67 2bam s TYR 75 Ca 0.56 -0.25 -0.15 0.00 -2.44 0.00 0.00 57.07 54.79 2bam s TYR 75 Cb -0.11 -2.37 -0.06 0.00 0.35 0.00 0.00 41.96 39.77 2bam s TYR 75 CO 0.50 -0.33 1.01 1.03 -1.34 0.00 0.00 175.55 176.42 2bam s ARG 76 N 1.68 3.77 -1.04 4.97 1.81 -1.26 -1.03 118.95 127.85 2bam s ARG 76 Ca 0.06 0.92 -0.26 0.00 -1.72 0.00 0.00 55.73 54.73 2bam s ARG 76 Cb -0.16 -2.11 0.04 0.00 -0.45 0.00 0.00 34.95 32.26 2bam s ARG 76 CO 0.08 -0.43 0.61 0.39 -0.68 0.00 0.00 175.30 175.27 2bam n GLU 77 N -1.99 -0.51 -2.96 3.54 -0.58 0.22 -4.89 120.64 113.47 2bam n GLU 77 Ca 0.07 0.15 -0.42 0.00 -0.42 0.00 0.00 57.16 56.54 2bam n GLU 77 Cb 0.54 -2.11 -0.05 0.00 -0.57 0.00 0.00 31.44 29.25 2bam n GLU 77 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2bam s LYS 78 N -6.75 3.91 0.23 3.49 2.36 -0.50 -4.79 119.74 117.70 2bam s LYS 78 Ca 0.36 0.51 -0.30 0.00 -2.55 0.00 0.00 55.97 53.99 2bam s LYS 78 Cb -0.20 -3.75 -0.09 0.00 -1.05 0.00 0.00 37.83 32.75 2bam s LYS 78 CO 0.88 -0.71 1.00 -1.25 1.55 0.00 0.00 175.35 176.82 2bam s PRO 79 N 2.97 4.76 0.26 4.03 0.04 -1.26 -0.77 135.00 145.03 2bam s PRO 79 Ca 0.32 1.59 -0.17 0.00 0.04 0.00 0.00 61.00 62.78 2bam s PRO 79 Cb -0.14 -3.27 -0.08 0.00 0.04 0.00 0.00 34.50 31.05 2bam s PRO 79 CO 0.13 0.36 0.72 -0.51 0.04 0.00 0.00 177.00 177.74 2bam s LEU 80 N -1.03 4.23 0.17 -3.56 1.43 -1.26 -4.94 118.68 113.71 2bam s LEU 80 Ca 0.43 1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 54.76 2bam s LEU 80 Cb -0.28 -3.78 0.07 0.00 0.03 0.00 0.00 46.19 42.24 2bam s LEU 80 CO 0.34 -0.06 1.72 0.44 0.23 0.00 0.00 176.35 179.02 2bam h ASP 81 N 2.94 0.84 -0.98 2.29 3.45 -1.97 -1.25 116.42 121.74 2bam h ASP 81 Ca -0.48 -0.19 0.05 0.00 0.43 0.00 0.00 57.03 56.85 2bam h ASP 81 Cb 1.19 -0.22 -0.06 0.00 -0.56 0.00 0.00 39.33 39.68 2bam h ASP 81 CO 0.65 0.80 0.64 -0.29 -1.57 0.00 0.00 179.24 179.47 2bam h ILE 82 N 0.83 1.12 0.09 0.35 6.09 -1.96 -0.44 117.51 123.59 2bam h ILE 82 Ca 0.19 -0.41 -0.00 0.00 -1.37 0.00 0.00 64.86 63.27 2bam h ILE 82 Cb 0.24 -0.16 0.00 0.00 0.47 0.00 0.00 36.82 37.37 2bam h ILE 82 CO -0.01 0.22 -0.04 -0.07 -3.07 0.00 0.00 178.15 175.17 2bam h LEU 83 N 1.18 -0.10 -1.29 2.19 3.38 -1.74 -1.57 115.31 117.36 2bam h LEU 83 Ca 0.41 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2bam h LEU 83 Cb 0.10 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2bam h LEU 83 CO -0.14 0.52 -0.32 0.29 0.09 0.00 0.00 178.44 178.87 2bam n LYS 84 N -4.82 1.57 -0.10 1.13 5.02 -0.51 -0.56 118.16 119.89 2bam n LYS 84 Ca -0.05 -1.29 -0.19 0.00 -2.02 0.00 0.00 58.31 54.76 2bam n LYS 84 Cb 0.20 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 2bam n LYS 84 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2bam n LEU 85 N 0.41 1.80 -0.02 -0.35 4.77 -0.32 -4.34 117.00 118.96 2bam n LEU 85 Ca 0.11 0.31 -0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2bam n LEU 85 Cb 0.51 -0.72 -0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2bam n LEU 85 CO 0.24 0.16 -0.01 -0.33 -1.33 0.00 0.00 177.39 176.12 2bam h GLU 86 N -0.90 0.00 0.00 3.23 5.08 -1.26 -3.40 114.58 117.34 2bam h GLU 86 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2bam h GLU 86 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2bam h GLU 86 CO -0.22 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.66 2bam h LYS 87 N -0.29 0.00 -6.38 2.33 1.57 -1.43 -3.48 116.57 108.89 2bam h LYS 87 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 2bam h LYS 87 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2bam h LYS 87 CO 0.00 0.00 -0.88 1.63 -0.57 0.00 0.00 179.45 179.63 2bam n LYS 88 N -2.98 -3.54 -3.61 3.15 5.02 -0.20 -4.97 118.16 111.03 2bam n LYS 88 Ca 0.02 0.46 -0.14 0.00 -2.02 0.00 0.00 58.31 56.63 2bam n LYS 88 Cb 0.39 -4.65 -0.07 0.00 -0.02 0.00 0.00 35.03 30.68 2bam n LYS 88 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2bam s LYS 89 N -6.38 0.83 0.00 1.97 2.47 0.28 -4.98 119.74 113.93 2bam s LYS 89 Ca 0.03 0.79 0.00 0.00 -1.56 0.00 0.00 55.97 55.23 2bam s LYS 89 Cb -0.01 0.40 0.00 0.00 -1.46 0.00 0.00 37.83 36.76 2bam s LYS 89 CO 0.87 -0.14 0.00 0.41 0.16 0.00 0.00 175.35 176.65 2bam n GLY 90 N 2.23 0.82 1.16 5.54 0.00 -1.26 -4.40 105.19 109.28 2bam n GLY 90 Ca -0.15 -1.75 -0.06 0.00 0.00 0.00 0.00 46.02 44.06 2bam n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bam n GLY 91 N 0.86 2.04 3.91 -0.02 0.00 -1.26 -4.66 105.19 106.05 2bam n GLY 91 Ca 0.00 -2.16 -0.28 0.00 0.00 0.00 0.00 46.02 43.57 2bam n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bam s PRO 92 N -2.77 2.07 0.26 1.61 0.04 -1.26 -4.70 135.00 130.24 2bam s PRO 92 Ca 0.17 0.04 -0.03 0.00 0.04 0.00 0.00 61.00 61.22 2bam s PRO 92 Cb -0.01 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 2bam s PRO 92 CO 0.11 -1.48 0.50 0.96 0.04 0.00 0.00 177.00 177.13 2bam s ILE 93 N -3.49 5.09 0.14 0.56 -4.36 0.05 -4.84 121.20 114.35 2bam s ILE 93 Ca 0.61 -0.13 -0.28 0.00 -0.26 0.00 0.00 60.65 60.59 2bam s ILE 93 Cb -0.11 -3.75 -0.03 0.00 1.25 0.00 0.00 42.46 39.82 2bam s ILE 93 CO 0.48 -0.29 1.59 0.44 0.24 0.00 0.00 174.94 177.39 2bam h ASP 94 N 1.70 -1.26 -5.16 4.36 3.32 -1.86 -1.30 116.42 116.21 2bam h ASP 94 Ca -0.48 0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.63 2bam h ASP 94 Cb 1.19 0.53 -0.16 0.00 0.22 0.00 0.00 39.33 41.11 2bam h ASP 94 CO 0.66 -0.40 -0.55 -0.69 -1.72 0.00 0.00 179.24 176.55 2bam s VAL 95 N -5.91 0.17 -0.12 -1.35 1.01 -0.81 -0.61 120.40 112.78 2bam s VAL 95 Ca -0.15 -1.40 -0.29 0.00 0.00 0.00 0.00 61.98 60.13 2bam s VAL 95 Cb 0.10 -1.25 0.07 0.00 0.00 0.00 0.00 36.38 35.31 2bam s VAL 95 CO 0.65 -0.77 0.71 -0.47 0.00 0.00 0.00 175.10 175.22 2bam s TYR 96 N -3.45 -0.68 -0.05 5.22 5.04 -0.20 -1.20 117.35 122.04 2bam s TYR 96 Ca 0.02 1.31 -0.25 0.00 -2.44 0.00 0.00 57.07 55.71 2bam s TYR 96 Cb 0.04 0.37 0.05 0.00 0.35 0.00 0.00 41.96 42.78 2bam s TYR 96 CO -0.08 -0.53 0.56 0.21 -1.34 0.00 0.00 175.55 174.37 2bam s LYS 97 N -0.75 0.91 -0.25 4.97 2.20 -0.98 0.04 119.74 125.88 2bam s LYS 97 Ca -0.07 0.15 -0.07 0.00 -0.36 0.00 0.00 55.97 55.62 2bam s LYS 97 Cb -0.01 0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 36.71 2bam s LYS 97 CO 0.07 -0.27 0.07 -1.21 -0.36 0.00 0.00 175.35 173.65 2bam s GLU 98 N -1.14 3.58 -0.35 4.03 2.02 -1.26 -1.59 118.70 123.98 2bam s GLU 98 Ca -0.11 -0.52 -0.14 0.00 0.02 0.00 0.00 54.97 54.22 2bam s GLU 98 Cb -0.02 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.88 2bam s GLU 98 CO 0.08 -0.22 0.29 -0.06 0.02 0.00 0.00 175.26 175.37 2bam s PHE 99 N 1.60 3.22 0.12 1.61 0.40 0.19 -4.96 117.98 120.16 2bam s PHE 99 Ca 0.06 -0.21 0.10 0.00 -0.60 0.00 0.00 56.93 56.27 2bam s PHE 99 Cb -0.15 -2.56 -0.04 0.00 0.51 0.00 0.00 43.02 40.78 2bam s PHE 99 CO 0.03 -0.42 -0.24 0.42 0.70 0.00 0.00 175.22 175.71 2bam s ILE 100 N 1.81 2.00 -0.29 0.64 1.01 -1.26 -0.53 121.20 124.58 2bam s ILE 100 Ca 0.08 -1.65 -0.15 0.00 0.00 0.00 0.00 60.65 58.92 2bam s ILE 100 Cb -0.17 -1.79 0.15 0.00 0.01 0.00 0.00 42.46 40.66 2bam s ILE 100 CO 0.11 0.03 0.98 -1.83 0.00 0.00 0.00 174.94 174.22 2bam s GLU 101 N -1.97 0.35 6.39 2.79 -1.05 -0.83 -5.04 118.70 119.33 2bam s GLU 101 Ca 0.10 0.70 0.00 0.00 -0.15 0.00 0.00 54.97 55.62 2bam s GLU 101 Cb -0.10 0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 2bam s GLU 101 CO 0.05 -0.09 0.00 0.27 0.95 0.00 0.00 175.26 176.44 2bam n ASN 102 N 4.22 0.00 -0.00 0.83 0.23 -1.26 -1.23 115.26 118.05 2bam n ASN 102 Ca -0.15 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.01 2bam n ASN 102 Cb 0.55 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.14 2bam n ASN 102 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2bam n SER 103 N 7.82 0.71 -4.73 0.53 7.64 -1.26 -4.95 113.62 119.37 2bam n SER 103 Ca 0.00 -0.68 -0.41 0.00 1.01 0.00 0.00 58.87 58.79 2bam n SER 103 Cb 0.00 1.23 -0.04 0.00 -1.01 0.00 0.00 64.21 64.39 2bam n SER 103 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2bam s GLU 104 N -3.15 4.64 -0.05 1.43 2.12 -0.37 -5.05 118.70 118.28 2bam s GLU 104 Ca 0.04 1.57 0.00 0.00 0.36 0.00 0.00 54.97 56.94 2bam s GLU 104 Cb 0.15 -3.34 0.02 0.00 0.26 0.00 0.00 34.13 31.23 2bam s GLU 104 CO 0.87 0.13 -0.02 -1.17 -0.54 0.00 0.00 175.26 174.53 2bam s LEU 105 N -0.04 1.10 -0.11 2.70 2.96 -1.26 -1.97 118.68 122.07 2bam s LEU 105 Ca 0.49 -0.08 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 2bam s LEU 105 Cb -0.26 -0.37 0.01 0.00 0.50 0.00 0.00 46.19 46.07 2bam s LEU 105 CO 0.32 -0.10 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.50 2bam s LYS 106 N 1.19 2.69 -0.18 1.98 -0.14 0.31 -4.99 119.74 120.60 2bam s LYS 106 Ca -0.07 -0.74 -0.02 0.00 -1.36 0.00 0.00 55.97 53.77 2bam s LYS 106 Cb -0.14 -2.13 -0.01 0.00 -1.68 0.00 0.00 37.83 33.87 2bam s LYS 106 CO -0.02 0.06 -0.07 1.03 -0.76 0.00 0.00 175.35 175.59 2bam s ARG 107 N 0.63 3.43 -0.17 1.68 0.52 -1.26 0.54 118.95 124.32 2bam s ARG 107 Ca -0.13 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 54.45 2bam s ARG 107 Cb -0.16 -2.85 -0.00 0.00 0.52 0.00 0.00 34.95 32.45 2bam s ARG 107 CO 0.03 0.03 -0.14 0.08 0.02 0.00 0.00 175.30 175.32 2bam s VAL 108 N 0.88 2.74 0.02 3.52 1.01 -0.62 0.94 120.40 128.88 2bam s VAL 108 Ca -0.02 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 2bam s VAL 108 Cb -0.15 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2bam s VAL 108 CO 0.01 0.50 0.16 -0.83 0.00 0.00 0.00 175.10 174.94 2bam s GLY 109 N 1.00 2.14 0.05 4.51 0.00 0.67 -2.33 107.32 113.37 2bam s GLY 109 Ca -0.02 -0.83 -0.16 0.00 0.00 0.00 0.00 44.72 43.71 2bam s GLY 109 CO -0.03 -0.75 0.38 -0.29 0.00 0.00 0.00 173.10 172.41 2bam s MET 110 N -2.11 0.91 -0.02 2.90 0.00 -0.34 -1.85 119.30 118.79 2bam s MET 110 Ca 0.29 -0.46 -0.00 0.00 0.00 0.00 0.00 55.69 55.52 2bam s MET 110 Cb -0.13 0.40 0.03 0.00 0.00 0.00 0.00 34.83 35.13 2bam s MET 110 CO 0.21 -0.31 0.03 -2.00 0.00 0.00 0.00 175.02 172.95 2bam s GLU 111 N -2.69 -0.04 -0.22 4.11 2.56 -0.35 -1.92 118.70 120.15 2bam s GLU 111 Ca -0.04 0.18 -0.08 0.00 0.00 0.00 0.00 54.97 55.03 2bam s GLU 111 Cb -0.00 -0.24 -0.04 0.00 2.00 0.00 0.00 34.13 35.85 2bam s GLU 111 CO -0.04 -0.16 0.10 0.12 -0.56 0.00 0.00 175.26 174.72 2bam s PHE 112 N 1.04 3.22 -0.23 5.30 2.19 -1.26 -0.79 117.98 127.45 2bam s PHE 112 Ca -0.09 -0.01 -0.01 0.00 0.33 0.00 0.00 56.93 57.16 2bam s PHE 112 Cb -0.12 -2.19 0.02 0.00 -1.31 0.00 0.00 43.02 39.42 2bam s PHE 112 CO -0.03 -0.03 -0.11 -1.21 1.83 0.00 0.00 175.22 175.68 2bam s GLU 113 N 0.98 2.88 -0.03 10.12 0.41 0.45 -4.84 118.70 128.67 2bam s GLU 113 Ca 0.05 -0.93 0.04 0.00 -0.41 0.00 0.00 54.97 53.72 2bam s GLU 113 Cb -0.14 -2.85 0.06 0.00 -1.78 0.00 0.00 34.13 29.42 2bam s GLU 113 CO 0.03 -0.34 0.90 0.25 -0.49 0.00 0.00 175.26 175.61 2bam n THR 114 N 4.64 0.49 -2.45 3.63 -2.24 -1.26 -4.18 114.28 112.91 2bam n THR 114 Ca -0.18 -0.57 -0.19 0.00 -2.27 0.00 0.00 64.05 60.84 2bam n THR 114 Cb 0.48 0.48 0.10 0.00 -2.10 0.00 0.00 70.33 69.30 2bam n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bam n GLY 115 N -0.34 0.42 3.57 3.38 0.00 -1.26 -4.62 105.19 106.33 2bam n GLY 115 Ca 0.03 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 2bam n GLY 115 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bam n ASN 116 N -3.01 0.23 -0.06 1.61 2.85 -1.26 -0.38 115.26 115.23 2bam n ASN 116 Ca 0.13 0.81 0.19 0.00 -0.11 0.00 0.00 54.58 55.61 2bam n ASN 116 Cb 0.47 -1.31 0.63 0.00 1.24 0.00 0.00 39.78 40.82 2bam n ASN 116 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 2bam h ILE 117 N 0.53 0.74 0.00 -1.44 6.09 -1.30 0.30 117.51 122.43 2bam h ILE 117 Ca -0.47 -0.04 -0.08 0.00 -1.37 0.00 0.00 64.86 62.90 2bam h ILE 117 Cb 1.37 0.60 -0.01 0.00 0.47 0.00 0.00 36.82 39.25 2bam h ILE 117 CO 0.50 0.02 -0.36 0.77 -3.07 0.00 0.00 178.15 176.02 2bam h SER 118 N 0.13 0.00 0.30 2.19 4.64 -1.88 -2.23 113.55 116.70 2bam h SER 118 Ca 0.30 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.56 2bam h SER 118 Cb 1.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 2bam h SER 118 CO -0.04 0.36 -0.30 -1.28 -0.87 0.00 0.00 176.83 174.70 2bam h SER 119 N 0.00 0.01 0.45 4.97 0.87 -0.71 -2.58 113.55 116.57 2bam h SER 119 Ca -0.00 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 2bam h SER 119 Cb 0.73 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 2bam h SER 119 CO 0.05 0.31 -0.36 0.00 -0.53 0.00 0.00 176.83 176.31 2bam h ALA 120 N 1.69 1.29 -0.52 6.23 0.00 -1.28 -2.05 119.26 124.62 2bam h ALA 120 Ca -0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2bam h ALA 120 Cb 0.54 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2bam h ALA 120 CO 0.04 0.45 -0.08 0.45 0.00 0.00 0.00 179.25 180.11 2bam h HIS 121 N 0.00 1.08 -0.35 0.00 3.86 -1.49 -0.57 115.15 117.69 2bam h HIS 121 Ca -0.00 -0.22 -0.00 0.00 -1.16 0.00 0.00 60.37 58.98 2bam h HIS 121 Cb 0.68 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 2bam h HIS 121 CO 0.00 1.01 0.20 -0.09 0.86 0.00 0.00 177.93 179.91 2bam h ARG 122 N 0.84 0.48 -0.72 2.45 2.43 -1.48 -0.90 114.38 117.49 2bam h ARG 122 Ca 0.14 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 2bam h ARG 122 Cb 0.63 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 2bam h ARG 122 CO 0.04 0.38 0.42 0.77 -1.51 0.00 0.00 179.97 180.08 2bam h SER 123 N 0.45 0.65 -0.51 -3.80 0.02 -1.13 0.24 113.55 109.47 2bam h SER 123 Ca 0.12 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2bam h SER 123 Cb 0.03 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 2bam h SER 123 CO -0.02 0.43 -0.01 -0.03 -1.14 0.00 0.00 176.83 176.06 2bam h MET 124 N 0.79 0.92 -0.37 3.45 1.85 -0.83 -2.56 114.93 118.18 2bam h MET 124 Ca 0.31 -0.30 -0.12 0.00 -0.61 0.00 0.00 59.70 58.98 2bam h MET 124 Cb 0.15 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.08 2bam h MET 124 CO -0.16 0.95 -0.27 -0.91 -0.40 0.00 0.00 176.91 176.12 2bam h ASN 125 N 0.78 0.78 -0.46 1.39 -0.26 -0.48 0.06 115.58 117.39 2bam h ASN 125 Ca 0.14 -0.30 -0.05 0.00 -0.56 0.00 0.00 56.30 55.54 2bam h ASN 125 Cb 0.54 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.57 2bam h ASN 125 CO 0.03 1.00 0.09 0.50 -1.06 0.00 0.00 177.43 177.99 2bam h LYS 126 N 0.65 0.76 -0.24 0.81 3.64 -0.50 0.67 116.57 122.35 2bam h LYS 126 Ca 0.08 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.16 2bam h LYS 126 Cb 0.78 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2bam h LYS 126 CO 0.06 0.76 -0.29 -0.07 -2.27 0.00 0.00 179.45 177.65 2bam h LEU 127 N 0.63 0.49 -0.64 5.20 3.38 -1.33 0.33 115.31 123.37 2bam h LEU 127 Ca 0.14 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2bam h LEU 127 Cb 0.36 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2bam h LEU 127 CO 0.01 0.76 -0.14 -0.07 0.09 0.00 0.00 178.44 179.09 2bam h LEU 128 N 0.42 0.93 -0.15 1.67 3.38 -0.66 -0.17 115.31 120.73 2bam h LEU 128 Ca 0.06 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2bam h LEU 128 Cb 0.72 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2bam h LEU 128 CO 0.06 1.06 0.03 0.25 0.09 0.00 0.00 178.44 179.93 2bam h LEU 129 N 0.82 0.23 -1.64 1.67 5.85 -0.48 0.19 115.31 121.95 2bam h LEU 129 Ca 0.13 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2bam h LEU 129 Cb 0.67 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2bam h LEU 129 CO 0.05 0.41 0.06 1.23 -0.34 0.00 0.00 178.44 179.85 2bam h GLY 130 N 0.05 0.31 0.97 3.75 0.00 -0.73 -1.42 103.07 106.01 2bam h GLY 130 Ca 0.05 -0.14 -0.20 0.00 0.00 0.00 0.00 47.33 47.04 2bam h GLY 130 CO 0.00 0.13 -0.74 1.41 0.00 0.00 0.00 176.54 177.34 2bam h LEU 131 N 0.29 0.71 -0.91 3.11 3.38 -0.68 -0.40 115.31 120.81 2bam h LEU 131 Ca 0.07 -0.72 -0.03 0.00 0.09 0.00 0.00 57.88 57.29 2bam h LEU 131 Cb 0.10 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2bam h LEU 131 CO -0.01 1.33 0.36 0.11 0.09 0.00 0.00 178.44 180.33 2bam h LYS 132 N 0.16 1.15 -0.31 1.13 1.57 -0.55 -2.53 116.57 117.19 2bam h LYS 132 Ca -0.08 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2bam h LYS 132 Cb 1.41 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2bam h LYS 132 CO 0.15 0.90 0.00 0.72 -0.57 0.00 0.00 179.45 180.65 2bam n HIS 133 N -4.30 0.36 -2.56 -1.35 8.25 -0.57 -4.94 115.22 110.11 2bam n HIS 133 Ca 0.08 -0.17 -0.19 0.00 -0.26 0.00 0.00 57.72 57.18 2bam n HIS 133 Cb 0.15 -0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.24 2bam n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bam n GLY 134 N 0.79 -0.41 0.09 -1.41 0.00 -0.95 -4.92 105.19 98.38 2bam n GLY 134 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 2bam n GLY 134 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bam n GLU 135 N -3.11 0.65 -4.22 1.61 1.02 -0.17 -4.93 120.64 111.48 2bam n GLU 135 Ca -0.18 0.21 -0.20 0.00 -0.02 0.00 0.00 57.16 56.97 2bam n GLU 135 Cb 0.65 -1.72 -0.12 0.00 -0.02 0.00 0.00 31.44 30.23 2bam n GLU 135 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2bam s ILE 136 N -2.60 1.24 -0.52 -3.67 -4.36 -1.15 -4.86 121.20 105.28 2bam s ILE 136 Ca -0.06 -1.31 0.22 0.00 -0.26 0.00 0.00 60.65 59.24 2bam s ILE 136 Cb 0.08 -1.16 -0.24 0.00 1.25 0.00 0.00 42.46 42.39 2bam s ILE 136 CO 0.83 -0.16 0.78 0.47 0.24 0.00 0.00 174.94 177.10 2bam n ASP 137 N 1.33 0.52 -3.73 4.36 9.92 0.27 -4.49 116.55 124.72 2bam n ASP 137 Ca -0.20 -0.39 -0.13 0.00 -0.53 0.00 0.00 54.79 53.53 2bam n ASP 137 Cb 0.54 1.31 -0.10 0.00 -0.64 0.00 0.00 41.12 42.23 2bam n ASP 137 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2bam s LEU 138 N -3.86 0.49 -0.00 0.64 2.96 -1.01 -4.68 118.68 113.21 2bam s LEU 138 Ca 0.01 0.68 0.06 0.00 -0.22 0.00 0.00 54.13 54.66 2bam s LEU 138 Cb 0.15 1.40 -0.02 0.00 0.50 0.00 0.00 46.19 48.22 2bam s LEU 138 CO 0.87 -0.21 -0.20 0.00 -1.32 0.00 0.00 176.35 175.48 2bam s ALA 139 N -0.11 1.67 -0.02 5.97 0.00 -0.95 -0.24 121.76 128.08 2bam s ALA 139 Ca -0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 2bam s ALA 139 Cb -0.03 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.70 2bam s ALA 139 CO 0.02 0.40 0.03 0.42 0.00 0.00 0.00 175.76 176.63 2bam s ILE 140 N -0.54 -0.02 -0.04 0.00 1.01 -0.77 -1.55 121.20 119.28 2bam s ILE 140 Ca 0.08 0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.87 2bam s ILE 140 Cb -0.08 -0.07 -0.02 0.00 0.01 0.00 0.00 42.46 42.30 2bam s ILE 140 CO -0.00 0.04 -0.22 -0.63 0.00 0.00 0.00 174.94 174.13 2bam s ILE 141 N 0.46 2.39 -0.07 2.92 1.01 -0.58 -1.22 121.20 126.12 2bam s ILE 141 Ca -0.04 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.69 2bam s ILE 141 Cb -0.05 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 2bam s ILE 141 CO -0.01 0.58 -0.21 -0.76 0.00 0.00 0.00 174.94 174.54 2bam s LEU 142 N -0.46 2.33 0.01 2.97 1.43 0.03 -1.20 118.68 123.78 2bam s LEU 142 Ca 0.05 -0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 52.46 2bam s LEU 142 Cb -0.12 -1.45 0.08 0.00 0.03 0.00 0.00 46.19 44.73 2bam s LEU 142 CO 0.01 0.25 0.74 0.00 0.23 0.00 0.00 176.35 177.58 2bam s MET 143 N -0.20 1.02 0.60 1.70 0.23 -0.35 0.17 119.30 122.46 2bam s MET 143 Ca -0.01 -0.07 -0.16 0.00 -1.03 0.00 0.00 55.69 54.41 2bam s MET 143 Cb -0.13 0.47 -0.03 0.00 -1.53 0.00 0.00 34.83 33.61 2bam s MET 143 CO 0.03 -0.38 1.08 -1.25 -2.03 0.00 0.00 175.02 172.47 2bam s PRO 144 N -2.28 3.21 0.66 3.16 0.04 -1.24 -0.26 135.00 138.28 2bam s PRO 144 Ca -0.03 1.32 -0.08 0.00 0.04 0.00 0.00 61.00 62.24 2bam s PRO 144 Cb -0.01 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.55 2bam s PRO 144 CO -0.01 -0.92 0.99 0.96 0.04 0.00 0.00 177.00 178.06 2bam s ILE 145 N -2.31 3.20 0.26 0.56 -4.36 -0.62 -1.15 121.20 116.79 2bam s ILE 145 Ca 0.66 0.07 -0.02 0.00 -0.26 0.00 0.00 60.65 61.09 2bam s ILE 145 Cb -0.18 -3.33 0.26 0.00 1.25 0.00 0.00 42.46 40.46 2bam s ILE 145 CO 0.36 -0.38 1.86 0.50 0.24 0.00 0.00 174.94 177.52 2bam h LYS 146 N -0.45 1.04 -0.78 0.37 3.64 -1.91 -0.15 116.57 118.33 2bam h LYS 146 Ca -0.45 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 58.91 2bam h LYS 146 Cb 1.27 -0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 2bam h LYS 146 CO 0.62 0.69 0.49 0.37 -2.27 0.00 0.00 179.45 179.34 2bam h GLN 147 N 1.07 0.90 -0.01 1.90 4.15 -1.96 -0.63 115.11 120.53 2bam h GLN 147 Ca 0.44 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.78 2bam h GLN 147 Cb 0.27 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2bam h GLN 147 CO -0.20 0.60 -0.10 1.25 -1.93 0.00 0.00 178.83 178.45 2bam h LEU 148 N 0.93 0.11 -2.26 -2.39 5.85 -1.79 -3.26 115.31 112.49 2bam h LEU 148 Ca 0.32 -0.71 0.04 0.00 0.84 0.00 0.00 57.88 58.37 2bam h LEU 148 Cb 0.07 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 2bam h LEU 148 CO -0.13 0.80 0.24 0.00 -0.34 0.00 0.00 178.44 179.00 2bam h ALA 149 N 0.31 1.56 0.00 1.25 0.00 -0.78 -0.57 119.26 121.03 2bam h ALA 149 Ca -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2bam h ALA 149 Cb 0.80 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2bam h ALA 149 CO 0.02 -0.30 -0.08 -0.92 0.00 0.00 0.00 179.25 177.96 2bam h TYR 150 N 0.00 0.00 -0.23 0.00 5.03 -1.16 -1.56 116.97 119.05 2bam h TYR 150 Ca 0.06 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.37 2bam h TYR 150 Cb 0.54 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.82 2bam h TYR 150 CO 0.00 0.08 0.00 0.66 -1.32 0.00 0.00 178.16 177.58 2bam n TYR 151 N -3.79 0.29 -3.42 -3.82 4.01 -0.22 -0.48 117.16 109.72 2bam n TYR 151 Ca -0.02 -0.16 -0.21 0.00 -0.16 0.00 0.00 57.90 57.36 2bam n TYR 151 Cb 0.18 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.20 2bam n TYR 151 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2bam s LEU 152 N -1.57 3.32 0.17 7.72 1.43 -0.59 -0.44 118.68 128.73 2bam s LEU 152 Ca 0.32 -0.75 -0.32 0.00 -1.03 0.00 0.00 54.13 52.35 2bam s LEU 152 Cb 0.20 -2.02 -0.17 0.00 0.03 0.00 0.00 46.19 44.23 2bam s LEU 152 CO 0.29 -0.82 0.90 0.41 0.23 0.00 0.00 176.35 177.35 2bam n THR 153 N -1.73 1.30 -1.66 5.49 -1.04 -0.23 -3.91 114.28 112.51 2bam n THR 153 Ca 0.05 -0.33 -0.45 0.00 -2.04 0.00 0.00 64.05 61.29 2bam n THR 153 Cb 0.61 -0.43 -0.03 0.00 -1.82 0.00 0.00 70.33 68.66 2bam n THR 153 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2bam n ASP 154 N 1.79 2.52 -1.04 8.00 4.64 -1.26 -3.05 116.55 128.15 2bam n ASP 154 Ca 0.16 1.15 -0.11 0.00 -1.38 0.00 0.00 54.79 54.60 2bam n ASP 154 Cb 0.23 -1.40 -0.03 0.00 -1.04 0.00 0.00 41.12 38.88 2bam n ASP 154 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2bam n ARG 155 N 1.82 -0.84 -1.80 -0.67 5.12 -1.26 -4.99 116.66 114.04 2bam n ARG 155 Ca 0.11 0.78 -0.30 0.00 -1.93 0.00 0.00 57.85 56.51 2bam n ARG 155 Cb 0.31 -4.82 0.05 0.00 -1.16 0.00 0.00 32.46 26.84 2bam n ARG 155 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2bam s VAL 156 N -2.48 3.54 0.05 1.55 -7.23 -1.17 -1.13 120.40 113.52 2bam s VAL 156 Ca 0.00 0.50 -0.33 0.00 -1.81 0.00 0.00 61.98 60.34 2bam s VAL 156 Cb 0.00 -3.43 -0.12 0.00 0.56 0.00 0.00 36.38 33.39 2bam s VAL 156 CO 0.00 -0.65 1.78 0.41 -0.31 0.00 0.00 175.10 176.33 2bam n THR 157 N -3.08 0.36 -4.42 5.32 -1.04 0.48 -4.24 114.28 107.67 2bam n THR 157 Ca 0.07 -0.06 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 2bam n THR 157 Cb 0.57 -1.85 -0.16 0.00 -1.82 0.00 0.00 70.33 67.07 2bam n THR 157 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2bam s ASN 158 N 2.79 1.30 0.21 8.00 2.20 -1.25 -3.59 114.94 124.60 2bam s ASN 158 Ca 0.86 -0.20 -0.18 0.00 -0.94 0.00 0.00 52.86 52.39 2bam s ASN 158 Cb -0.63 -0.39 0.20 0.00 -2.00 0.00 0.00 41.25 38.44 2bam s ASN 158 CO 0.43 0.06 1.57 0.15 -2.94 0.00 0.00 177.10 176.37 2bam h PHE 159 N 6.47 -1.00 -0.41 1.54 3.04 -1.41 -2.22 116.94 122.95 2bam h PHE 159 Ca -0.33 0.09 0.05 0.00 3.98 0.00 0.00 57.97 61.76 2bam h PHE 159 Cb 1.17 0.56 -0.02 0.00 2.56 0.00 0.00 35.95 40.22 2bam h PHE 159 CO 0.45 -0.40 0.28 0.93 -2.02 0.00 0.00 178.31 177.55 2bam h GLU 160 N -0.06 0.35 0.06 1.11 3.07 -1.95 -1.31 114.58 115.84 2bam h GLU 160 Ca 0.30 -0.02 -0.24 0.00 -0.50 0.00 0.00 59.36 58.91 2bam h GLU 160 Cb 0.58 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 2bam h GLU 160 CO -0.86 0.23 -1.08 1.49 -1.40 0.00 0.00 179.01 177.39 2bam h GLU 161 N 0.36 0.18 0.00 2.33 4.81 -1.82 -3.26 114.58 117.19 2bam h GLU 161 Ca 0.18 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2bam h GLU 161 Cb 0.25 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 2bam h GLU 161 CO -0.04 1.09 -0.39 1.25 -0.73 0.00 0.00 179.01 180.19 2bam h LEU 162 N 0.07 0.00 -0.91 1.64 5.85 -1.35 -3.37 115.31 117.24 2bam h LEU 162 Ca -0.08 0.00 0.23 0.00 0.84 0.00 0.00 57.88 58.87 2bam h LEU 162 Cb 1.79 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.69 2bam h LEU 162 CO 0.17 0.05 0.41 -0.08 -0.34 0.00 0.00 178.44 178.64 2bam h GLU 163 N 0.00 0.38 0.00 1.25 4.81 -1.28 -0.22 114.58 119.53 2bam h GLU 163 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2bam h GLU 163 Cb 1.04 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.33 2bam h GLU 163 CO 0.01 0.25 0.00 -0.35 -0.73 0.00 0.00 179.01 178.19 2bam n PRO 164 N -5.05 0.13 0.00 0.92 -0.04 -1.26 -1.88 135.00 127.83 2bam n PRO 164 Ca 0.23 0.14 0.04 0.00 -0.04 0.00 0.00 63.50 63.87 2bam n PRO 164 Cb 0.68 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.64 2bam n PRO 164 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2bam n TYR 165 N -1.18 0.00 -0.02 0.54 4.01 -0.10 -4.63 117.16 115.78 2bam n TYR 165 Ca 0.04 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.96 2bam n TYR 165 Cb 0.04 0.00 0.64 0.00 -0.31 0.00 0.00 39.34 39.71 2bam n TYR 165 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 2bam h PHE 166 N 0.82 0.12 0.00 -0.72 0.04 -1.36 -1.41 116.94 114.42 2bam h PHE 166 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2bam h PHE 166 Cb 0.25 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 2bam h PHE 166 CO 0.00 0.05 -0.05 1.05 -0.60 0.00 0.00 178.31 178.76 2bam h GLU 167 N 0.10 0.00 0.00 1.51 4.11 -1.82 -2.54 114.58 115.95 2bam h GLU 167 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 2bam h GLU 167 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2bam h GLU 167 CO -0.03 0.05 0.00 1.28 0.07 0.00 0.00 179.01 180.38 2bam n LEU 168 N -3.24 0.00 -0.81 3.06 4.77 -0.53 -1.40 117.00 118.85 2bam n LEU 168 Ca -0.01 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.05 2bam n LEU 168 Cb 0.25 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.58 2bam n LEU 168 CO 0.27 0.00 0.69 0.41 -1.33 0.00 0.00 177.39 177.43 2bam n THR 169 N -0.82 2.09 -1.74 -5.08 -1.04 -0.96 -5.05 114.28 101.69 2bam n THR 169 Ca 0.05 -1.78 -0.39 0.00 -2.04 0.00 0.00 64.05 59.89 2bam n THR 169 Cb 0.02 -0.15 0.04 0.00 -1.82 0.00 0.00 70.33 68.42 2bam n THR 169 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2bam n GLU 170 N -0.42 1.67 -1.05 -2.82 0.00 -0.49 -2.45 120.64 115.07 2bam n GLU 170 Ca 0.20 0.61 -0.02 0.00 0.00 0.00 0.00 57.16 57.95 2bam n GLU 170 Cb 0.81 -2.55 -0.01 0.00 0.00 0.00 0.00 31.44 29.69 2bam n GLU 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2bam n GLY 171 N 0.78 0.44 2.91 -1.84 0.00 -1.26 -5.00 105.19 101.22 2bam n GLY 171 Ca 0.10 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 2bam n GLY 171 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2bam s GLN 172 N -1.22 0.36 -0.44 1.61 2.00 -1.03 -5.02 119.66 115.93 2bam s GLN 172 Ca 0.00 -0.09 -0.27 0.00 -2.00 0.00 0.00 55.36 53.00 2bam s GLN 172 Cb 0.00 -0.40 -0.03 0.00 0.80 0.00 0.00 33.01 33.38 2bam s GLN 172 CO 0.00 0.02 1.99 -1.25 -0.50 0.00 0.00 175.29 175.55 2bam s PRO 173 N 0.24 2.85 0.02 1.67 0.04 -1.26 -4.69 135.00 133.86 2bam s PRO 173 Ca -0.02 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.24 2bam s PRO 173 Cb -0.05 -4.35 -0.02 0.00 0.04 0.00 0.00 34.50 30.11 2bam s PRO 173 CO -0.00 -2.44 0.00 0.12 0.04 0.00 0.00 177.00 174.72 2bam s PHE 174 N 8.79 0.24 -0.01 0.56 2.19 -1.26 -2.23 117.98 126.26 2bam s PHE 174 Ca 0.82 -0.50 -0.00 0.00 0.33 0.00 0.00 56.93 57.57 2bam s PHE 174 Cb -0.20 -0.18 0.01 0.00 -1.31 0.00 0.00 43.02 41.35 2bam s PHE 174 CO 0.28 -0.23 0.03 0.42 1.83 0.00 0.00 175.22 177.55 2bam s ILE 175 N -1.66 -0.02 -0.11 3.12 1.01 -0.60 -1.65 121.20 121.28 2bam s ILE 175 Ca -0.14 0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.63 2bam s ILE 175 Cb -0.08 -0.06 -0.00 0.00 0.01 0.00 0.00 42.46 42.33 2bam s ILE 175 CO -0.01 0.04 -0.21 -0.36 0.00 0.00 0.00 174.94 174.39 2bam s PHE 176 N 0.44 2.63 -0.12 3.97 0.40 0.15 -1.53 117.98 123.92 2bam s PHE 176 Ca -0.04 -1.02 0.02 0.00 -0.60 0.00 0.00 56.93 55.30 2bam s PHE 176 Cb -0.05 -1.76 0.01 0.00 0.51 0.00 0.00 43.02 41.73 2bam s PHE 176 CO -0.01 -0.41 -0.18 0.42 0.70 0.00 0.00 175.22 175.73 2bam s ILE 177 N 0.43 1.73 -0.18 0.64 1.01 -0.34 -0.66 121.20 123.84 2bam s ILE 177 Ca -0.15 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 2bam s ILE 177 Cb -0.17 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 2bam s ILE 177 CO 0.06 0.49 0.03 -0.83 0.00 0.00 0.00 174.94 174.70 2bam s GLY 178 N 0.91 1.85 0.23 6.18 0.00 0.44 -1.21 107.32 115.73 2bam s GLY 178 Ca -0.07 -0.77 0.08 0.00 0.00 0.00 0.00 44.72 43.96 2bam s GLY 178 CO -0.02 0.03 0.08 -0.11 0.00 0.00 0.00 173.10 173.08 2bam s PHE 179 N 0.38 2.90 0.02 1.90 -0.12 0.64 -1.60 117.98 122.10 2bam s PHE 179 Ca 0.01 -0.15 -0.04 0.00 -0.05 0.00 0.00 56.93 56.70 2bam s PHE 179 Cb -0.13 -1.33 -0.01 0.00 -0.63 0.00 0.00 43.02 40.92 2bam s PHE 179 CO 0.01 0.56 0.06 1.21 -0.05 0.00 0.00 175.22 177.00 2bam s ASN 180 N -3.54 0.17 0.68 1.98 2.47 0.25 -1.60 114.94 115.36 2bam s ASN 180 Ca 0.31 -0.45 -0.13 0.00 0.42 0.00 0.00 52.86 53.01 2bam s ASN 180 Cb -0.08 0.17 0.01 0.00 -1.45 0.00 0.00 41.25 39.90 2bam s ASN 180 CO 0.22 -0.40 1.09 0.00 -3.72 0.00 0.00 177.10 174.29 2bam s ALA 181 N -1.89 2.52 0.10 1.71 0.00 -1.26 -0.34 121.76 122.60 2bam s ALA 181 Ca -0.11 0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.29 2bam s ALA 181 Cb -0.06 -3.26 -0.19 0.00 0.00 0.00 0.00 23.12 19.60 2bam s ALA 181 CO -0.02 -1.27 1.29 0.93 0.00 0.00 0.00 175.76 176.69 2bam h GLU 182 N -0.26 0.00 -3.77 0.00 3.07 -0.58 -3.45 114.58 109.58 2bam h GLU 182 Ca -0.46 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.27 2bam h GLU 182 Cb 1.23 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 28.95 2bam h GLU 182 CO 0.55 0.96 -0.55 0.00 -1.40 0.00 0.00 179.01 178.57 2bam s ALA 183 N -2.72 -0.08 -0.29 3.43 0.00 -1.14 -5.03 121.76 115.92 2bam s ALA 183 Ca 0.01 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.51 2bam s ALA 183 Cb 0.10 0.19 0.09 0.00 0.00 0.00 0.00 23.12 23.50 2bam s ALA 183 CO 0.82 -0.26 0.03 0.71 0.00 0.00 0.00 175.76 177.05 2bam s TYR 184 N -2.11 2.65 0.07 0.00 2.02 -1.26 -1.07 117.35 117.64 2bam s TYR 184 Ca -0.09 -2.17 -0.12 0.00 -0.37 0.00 0.00 57.07 54.32 2bam s TYR 184 Cb -0.04 -2.07 0.01 0.00 -0.40 0.00 0.00 41.96 39.46 2bam s TYR 184 CO -0.02 -0.86 0.28 0.54 -1.57 0.00 0.00 175.55 173.91 2bam s ASN 185 N 1.30 -0.06 -0.05 2.29 2.20 -0.76 -4.85 114.94 115.01 2bam s ASN 185 Ca 0.04 -0.35 0.08 0.00 -0.94 0.00 0.00 52.86 51.69 2bam s ASN 185 Cb -0.18 0.36 0.33 0.00 -2.00 0.00 0.00 41.25 39.76 2bam s ASN 185 CO -0.12 -0.68 1.16 -1.54 -2.94 0.00 0.00 177.10 172.97 2bam n SER 186 N 0.29 2.39 -0.76 3.54 3.41 -1.26 -3.05 113.62 118.17 2bam n SER 186 Ca -0.17 -2.19 0.10 0.00 -0.26 0.00 0.00 58.87 56.35 2bam n SER 186 Cb 0.61 -0.39 0.30 0.00 -0.26 0.00 0.00 64.21 64.47 2bam n SER 186 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2bam n ASN 187 N 0.38 2.28 -4.55 4.04 3.02 -1.26 -4.92 115.26 114.26 2bam n ASN 187 Ca 0.12 -1.83 -0.25 0.00 -0.03 0.00 0.00 54.58 52.59 2bam n ASN 187 Cb 0.46 -0.17 -0.10 0.00 -0.61 0.00 0.00 39.78 39.37 2bam n ASN 187 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2bam s VAL 188 N -1.66 2.49 0.50 2.41 -7.23 -1.26 -5.12 120.40 110.53 2bam s VAL 188 Ca 0.34 -2.20 -0.20 0.00 -1.81 0.00 0.00 61.98 58.11 2bam s VAL 188 Cb 0.19 -2.59 -0.08 0.00 0.56 0.00 0.00 36.38 34.46 2bam s VAL 188 CO 0.27 -0.28 1.05 -2.16 -0.31 0.00 0.00 175.10 173.68 2bam s PRO 189 N -3.61 3.72 0.28 4.82 0.04 -1.26 -4.80 135.00 134.19 2bam s PRO 189 Ca 0.32 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.47 2bam s PRO 189 Cb -0.01 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 2bam s PRO 189 CO 0.17 -0.50 1.19 -0.51 0.04 0.00 0.00 177.00 177.38 2bam s LEU 190 N -3.54 4.49 -0.06 -3.56 1.43 -1.26 -4.64 118.68 111.54 2bam s LEU 190 Ca 0.68 2.40 -0.30 0.00 -1.03 0.00 0.00 54.13 55.88 2bam s LEU 190 Cb -0.18 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 2bam s LEU 190 CO 0.21 -0.31 1.35 -0.63 0.23 0.00 0.00 176.35 177.20 2bam s ILE 191 N -0.92 3.95 0.71 -0.59 1.01 -1.26 -4.95 121.20 119.14 2bam s ILE 191 Ca 0.48 1.26 -0.16 0.00 0.00 0.00 0.00 60.65 62.23 2bam s ILE 191 Cb -0.35 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 2bam s ILE 191 CO 0.44 -0.04 0.82 -2.65 0.00 0.00 0.00 174.94 173.51 2bam n PRO 192 N 5.83 0.46 -4.31 2.79 -0.02 -1.26 -0.53 135.00 137.96 2bam n PRO 192 Ca 0.13 0.20 -0.30 0.00 -2.02 0.00 0.00 63.50 61.52 2bam n PRO 192 Cb 0.44 -2.09 -0.11 0.00 -0.02 0.00 0.00 33.50 31.73 2bam n PRO 192 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2bam s LYS 193 N -3.10 1.95 0.85 -0.52 1.02 -1.26 -3.53 119.74 115.15 2bam s LYS 193 Ca 0.71 -1.09 -0.09 0.00 0.02 0.00 0.00 55.97 55.51 2bam s LYS 193 Cb -0.35 -2.20 0.16 0.00 -0.52 0.00 0.00 37.83 34.92 2bam s LYS 193 CO 0.53 0.50 1.17 0.20 -0.92 0.00 0.00 175.35 176.82 2bam s GLY 194 N -2.09 1.77 -0.17 -3.33 0.00 -1.26 -4.97 107.32 97.27 2bam s GLY 194 Ca 0.19 -1.42 0.12 0.00 0.00 0.00 0.00 44.72 43.61 2bam s GLY 194 CO 0.11 -0.75 1.53 -1.14 0.00 0.00 0.00 173.10 172.84 2bam n SER 195 N -3.33 4.75 -4.58 1.64 3.41 -1.26 -4.91 113.62 109.34 2bam n SER 195 Ca 0.15 -2.68 -0.33 0.00 -0.26 0.00 0.00 58.87 55.75 2bam n SER 195 Cb 0.60 -0.63 0.13 0.00 -0.26 0.00 0.00 64.21 64.05 2bam n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2bam n ASP 196 N 0.62 -0.27 0.00 4.04 9.92 -1.26 -3.59 116.55 126.00 2bam n ASP 196 Ca 0.23 0.47 0.00 0.00 -0.53 0.00 0.00 54.79 54.96 2bam n ASP 196 Cb 0.98 -1.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 2bam n ASP 196 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bam n GLY 197 N 0.86 1.81 1.02 0.44 0.00 -1.26 -1.61 105.19 106.45 2bam n GLY 197 Ca 0.11 0.38 0.04 0.00 0.00 0.00 0.00 46.02 46.54 2bam n GLY 197 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2bam n MET 198 N 8.34 2.57 -1.75 1.61 2.81 -1.26 -4.69 117.12 124.75 2bam n MET 198 Ca 0.00 -1.43 -0.39 0.00 -1.81 0.00 0.00 57.70 54.08 2bam n MET 198 Cb 0.00 -1.71 0.04 0.00 -0.71 0.00 0.00 33.22 30.84 2bam n MET 198 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2bam s SER 199 N -0.53 5.24 0.32 7.83 0.15 -0.63 -4.83 113.70 121.24 2bam s SER 199 Ca 0.25 2.81 0.23 0.00 0.70 0.00 0.00 55.95 59.94 2bam s SER 199 Cb 0.18 -2.64 1.16 0.00 -1.71 0.00 0.00 66.02 63.01 2bam s SER 199 CO 0.10 -1.60 1.70 1.17 1.20 0.00 0.00 173.24 175.81 2bam n LYS 200 N -1.02 0.16 0.01 5.44 0.00 -1.26 -1.47 118.16 120.02 2bam n LYS 200 Ca 0.10 0.58 0.12 0.00 0.00 0.00 0.00 58.31 59.12 2bam n LYS 200 Cb 0.45 -1.96 0.22 0.00 0.00 0.00 0.00 35.03 33.74 2bam n LYS 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2bam n ARG 201 N -2.29 0.08 -2.49 1.64 1.74 -1.26 -4.92 116.66 109.15 2bam n ARG 201 Ca -0.00 0.02 -0.36 0.00 -0.77 0.00 0.00 57.85 56.73 2bam n ARG 201 Cb 0.09 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 2bam n ARG 201 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bam s SER 202 N -3.30 6.62 -0.25 0.55 1.04 -0.54 -4.97 113.70 112.85 2bam s SER 202 Ca 0.10 2.08 -0.29 0.00 0.48 0.00 0.00 55.95 58.31 2bam s SER 202 Cb 0.17 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.70 2bam s SER 202 CO 0.71 -0.59 1.18 -0.63 0.98 0.00 0.00 173.24 174.89 2bam s ILE 203 N -1.66 4.38 -0.27 -1.02 1.01 -1.26 -4.96 121.20 117.42 2bam s ILE 203 Ca 0.59 1.63 0.01 0.00 0.00 0.00 0.00 60.65 62.89 2bam s ILE 203 Cb -0.23 -4.20 0.05 0.00 0.01 0.00 0.00 42.46 38.10 2bam s ILE 203 CO 0.28 -0.31 -0.08 -0.54 0.00 0.00 0.00 174.94 174.30 2bam s LYS 204 N 3.64 2.33 -0.01 2.79 1.02 -1.26 -5.00 119.74 123.25 2bam s LYS 204 Ca 0.51 -1.30 0.04 0.00 0.02 0.00 0.00 55.97 55.23 2bam s LYS 204 Cb -0.17 -2.98 0.13 0.00 -0.52 0.00 0.00 37.83 34.30 2bam s LYS 204 CO 0.15 -0.57 0.98 1.63 -0.92 0.00 0.00 175.35 176.62 2bam n LYS 205 N 4.50 1.45 -0.01 1.68 5.02 -1.26 -4.30 118.16 125.24 2bam n LYS 205 Ca -0.14 -0.52 0.11 0.00 -2.02 0.00 0.00 58.31 55.74 2bam n LYS 205 Cb 0.43 -1.28 -0.16 0.00 -0.02 0.00 0.00 35.03 34.00 2bam n LYS 205 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 2bam n TRP 206 N -0.03 0.00 1.76 2.13 4.27 -1.26 -5.38 117.44 118.93 2bam n TRP 206 Ca 0.05 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.81 2bam n TRP 206 Cb 0.22 -0.37 0.75 0.00 -1.36 0.00 0.00 31.31 30.54 2bam n TRP 206 CO 0.00 0.00 0.00 0.36 -2.29 0.00 0.00 177.69 175.76