#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m7h s PHE 7 N 0.00 0.21 -0.23 4.78 -0.12 -1.26 -5.14 117.98 116.22 1m7h s PHE 7 Ca 0.00 -0.57 -0.24 0.00 -0.05 0.00 0.00 56.93 56.07 1m7h s PHE 7 Cb 0.00 0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.52 1m7h s PHE 7 CO 0.00 -0.83 0.78 -1.01 -0.05 0.00 0.00 175.22 174.11 1m7h s HIS 8 N -3.94 3.33 -0.21 3.49 3.76 -1.26 -4.92 115.29 115.54 1m7h s HIS 8 Ca 0.15 1.08 0.20 0.00 -0.15 0.00 0.00 55.06 56.34 1m7h s HIS 8 Cb 0.01 -2.98 -0.02 0.00 1.11 0.00 0.00 32.58 30.70 1m7h s HIS 8 CO 0.00 -0.34 1.04 0.00 -0.85 0.00 0.00 174.74 174.59 1m7h h ALA 9 N 7.64 0.60 -3.13 -1.40 0.00 -2.08 -3.46 119.26 117.44 1m7h h ALA 9 Ca -0.25 -0.32 -0.66 0.00 0.00 0.00 0.00 54.91 53.67 1m7h h ALA 9 Cb 1.11 0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.86 1m7h h ALA 9 CO 0.84 0.36 -0.57 -1.12 0.00 0.00 0.00 179.25 178.76 1m7h s SER 10 N -5.65 5.65 0.59 0.00 0.01 -1.26 -5.10 113.70 107.94 1m7h s SER 10 Ca -0.00 0.20 -0.18 0.00 1.31 0.00 0.00 55.95 57.28 1m7h s SER 10 Cb 0.09 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 1m7h s SER 10 CO 0.79 0.32 1.15 0.00 0.41 0.00 0.00 173.24 175.90 1m7h s ALA 11 N -0.52 2.58 0.27 1.44 0.00 -1.26 -4.93 121.76 119.34 1m7h s ALA 11 Ca 0.10 0.81 -0.28 0.00 0.00 0.00 0.00 51.96 52.59 1m7h s ALA 11 Cb -0.12 -3.38 -0.15 0.00 0.00 0.00 0.00 23.12 19.48 1m7h s ALA 11 CO 0.02 -1.02 0.92 1.28 0.00 0.00 0.00 175.76 176.96 1m7h n LEU 12 N -1.67 1.19 -4.95 0.00 4.77 -1.26 -4.97 117.00 110.11 1m7h n LEU 12 Ca 0.12 1.17 -0.23 0.00 -0.03 0.00 0.00 56.01 57.03 1m7h n LEU 12 Cb 0.51 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 1m7h n LEU 12 CO 0.44 -1.71 0.27 0.42 -1.33 0.00 0.00 177.39 175.48 1m7h s THR 13 N -1.02 4.36 0.16 -5.08 -4.23 -1.26 -4.91 115.64 103.66 1m7h s THR 13 Ca 0.60 -0.44 -0.15 0.00 -1.18 0.00 0.00 61.69 60.52 1m7h s THR 13 Cb -0.75 -3.61 0.03 0.00 1.34 0.00 0.00 72.50 69.51 1m7h s THR 13 CO 0.59 -0.43 1.82 0.03 -0.54 0.00 0.00 174.62 176.08 1m7h h ARG 14 N 0.48 0.56 -0.70 3.99 3.08 -1.93 0.12 114.38 119.98 1m7h h ARG 14 Ca -0.47 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 59.65 1m7h h ARG 14 Cb 1.24 -0.13 -0.08 0.00 0.08 0.00 0.00 29.97 31.09 1m7h h ARG 14 CO 0.59 0.37 0.32 1.03 -1.07 0.00 0.00 179.97 181.21 1m7h h SER 15 N 0.58 0.39 -0.18 7.04 0.87 -1.98 0.43 113.55 120.70 1m7h h SER 15 Ca 0.16 0.07 -0.18 0.00 -1.23 0.00 0.00 61.79 60.61 1m7h h SER 15 Cb -0.05 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1m7h h SER 15 CO -0.04 0.21 -0.60 -0.33 -0.53 0.00 0.00 176.83 175.53 1m7h h GLU 16 N 0.54 0.72 -0.35 2.24 5.08 -1.82 -2.07 114.58 118.92 1m7h h GLU 16 Ca 0.36 -0.54 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 1m7h h GLU 16 Cb 0.42 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1m7h h GLU 16 CO -0.30 1.16 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.72 1m7h h ARG 17 N 0.43 0.57 -0.25 2.33 2.43 -0.30 -0.39 114.38 119.20 1m7h h ARG 17 Ca -0.03 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1m7h h ARG 17 Cb 1.23 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1m7h h ARG 17 CO 0.13 0.63 0.03 1.15 -1.51 0.00 0.00 179.97 180.40 1m7h h THR 18 N 0.54 1.24 0.88 0.20 2.02 -0.07 0.28 112.91 118.00 1m7h h THR 18 Ca 0.11 -0.82 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 1m7h h THR 18 Cb 0.42 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1m7h h THR 18 CO 0.02 0.26 -0.49 -0.33 0.37 0.00 0.00 175.52 175.35 1m7h h GLU 19 N 0.23 -1.23 -0.70 6.66 5.08 -1.06 0.41 114.58 123.97 1m7h h GLU 19 Ca 0.08 0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 1m7h h GLU 19 Cb 0.36 0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1m7h h GLU 19 CO 0.01 -0.82 0.46 -0.07 -1.00 0.00 0.00 179.01 177.59 1m7h h LEU 20 N -1.27 0.53 0.00 1.33 -0.00 -1.05 -2.42 115.31 112.44 1m7h h LEU 20 Ca -0.12 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1m7h h LEU 20 Cb 1.00 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.56 1m7h h LEU 20 CO 0.15 0.32 -0.70 0.54 -0.00 0.00 0.00 178.44 178.75 1m7h n ARG 21 N -4.49 0.24 -3.32 1.13 5.12 1.00 -4.98 116.66 111.35 1m7h n ARG 21 Ca 0.11 0.05 -0.24 0.00 -1.93 0.00 0.00 57.85 55.85 1m7h n ARG 21 Cb 0.33 -1.63 0.05 0.00 -1.16 0.00 0.00 32.46 30.06 1m7h n ARG 21 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1m7h n ASN 22 N -1.97 -6.05 -3.52 0.55 5.15 0.13 -4.98 115.26 104.58 1m7h n ASN 22 Ca 0.03 -0.42 -0.08 0.00 -0.60 0.00 0.00 54.58 53.51 1m7h n ASN 22 Cb 0.42 -4.84 -0.02 0.00 -0.53 0.00 0.00 39.78 34.81 1m7h n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1m7h s GLN 23 N -6.02 0.75 0.33 1.20 -2.07 -1.19 -4.75 119.66 107.91 1m7h s GLN 23 Ca 0.45 -0.27 0.02 0.00 -1.82 0.00 0.00 55.36 53.73 1m7h s GLN 23 Cb -0.20 0.35 -0.03 0.00 -1.09 0.00 0.00 33.01 32.04 1m7h s GLN 23 CO 0.55 -0.33 0.51 1.03 -1.32 0.00 0.00 175.29 175.73 1m7h s ARG 24 N -3.02 3.42 0.07 9.60 0.52 -1.26 -4.59 118.95 123.68 1m7h s ARG 24 Ca 0.06 -0.48 0.04 0.00 -0.52 0.00 0.00 55.73 54.83 1m7h s ARG 24 Cb -0.01 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 1m7h s ARG 24 CO -0.08 0.17 0.00 0.20 0.02 0.00 0.00 175.30 175.61 1m7h s GLY 25 N -4.05 1.91 0.07 -3.53 0.00 -1.26 -4.48 107.32 95.99 1m7h s GLY 25 Ca 0.40 -1.07 -0.28 0.00 0.00 0.00 0.00 44.72 43.77 1m7h s GLY 25 CO 0.34 -1.03 1.10 0.48 0.00 0.00 0.00 173.10 173.99 1m7h s LEU 26 N -2.14 -0.13 -0.10 0.66 2.34 -0.88 -4.47 118.68 113.96 1m7h s LEU 26 Ca 0.25 -0.27 0.03 0.00 0.06 0.00 0.00 54.13 54.20 1m7h s LEU 26 Cb -0.12 1.82 0.00 0.00 -0.56 0.00 0.00 46.19 47.33 1m7h s LEU 26 CO 0.17 -0.63 -0.21 -0.89 -1.06 0.00 0.00 176.35 173.73 1m7h s THR 27 N -2.91 1.86 -0.42 5.48 2.01 -0.87 -1.05 115.64 119.74 1m7h s THR 27 Ca 0.13 -0.90 -0.08 0.00 0.31 0.00 0.00 61.69 61.15 1m7h s THR 27 Cb 0.01 -1.62 0.08 0.00 0.01 0.00 0.00 72.50 70.98 1m7h s THR 27 CO -0.01 0.51 0.25 -0.63 -0.69 0.00 0.00 174.62 174.06 1m7h s ILE 28 N 0.47 4.11 -0.44 1.82 1.01 0.19 -0.57 121.20 127.78 1m7h s ILE 28 Ca -0.17 -1.48 -0.18 0.00 0.00 0.00 0.00 60.65 58.82 1m7h s ILE 28 Cb -0.17 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.78 1m7h s ILE 28 CO 0.07 -0.53 0.50 0.86 0.00 0.00 0.00 174.94 175.84 1m7h s TRP 29 N 1.39 3.14 0.12 3.97 -0.11 0.16 -1.64 118.94 125.97 1m7h s TRP 29 Ca 0.03 -0.39 -0.22 0.00 1.22 0.00 0.00 56.10 56.74 1m7h s TRP 29 Cb -0.23 -3.10 -0.07 0.00 -1.50 0.00 0.00 33.47 28.56 1m7h s TRP 29 CO 0.01 -0.80 0.68 -0.51 -4.62 0.00 0.00 176.95 171.72 1m7h s LEU 30 N 2.31 4.56 -0.05 5.86 1.43 -0.16 -0.08 118.68 132.56 1m7h s LEU 30 Ca 0.14 1.46 -0.04 0.00 -1.03 0.00 0.00 54.13 54.66 1m7h s LEU 30 Cb -0.17 -3.11 0.01 0.00 0.03 0.00 0.00 46.19 42.95 1m7h s LEU 30 CO 0.14 0.24 0.12 0.28 0.23 0.00 0.00 176.35 177.36 1m7h s THR 31 N -1.12 0.00 0.00 5.49 -1.32 -0.24 -3.76 115.64 114.69 1m7h s THR 31 Ca 0.33 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 1m7h s THR 31 Cb -0.21 -0.19 0.00 0.00 -1.51 0.00 0.00 72.50 70.59 1m7h s THR 31 CO 0.23 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.24 1m7h n GLY 32 N 2.97 2.30 3.47 6.08 0.00 -1.14 -0.46 105.19 118.41 1m7h n GLY 32 Ca -0.13 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 1m7h n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1m7h n LEU 33 N 0.00 0.31 -4.76 0.99 4.77 -1.26 -4.25 117.00 112.79 1m7h n LEU 33 Ca 0.00 0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.79 1m7h n LEU 33 Cb 0.00 -1.25 -0.02 0.00 -2.33 0.00 0.00 43.42 39.82 1m7h n LEU 33 CO 0.00 -3.09 1.08 -0.55 -1.33 0.00 0.00 177.39 173.51 1m7h s SER 34 N -2.22 6.60 -0.31 -1.43 0.15 -1.26 -1.72 113.70 113.51 1m7h s SER 34 Ca 0.61 2.77 0.00 0.00 0.70 0.00 0.00 55.95 60.04 1m7h s SER 34 Cb -0.21 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.46 1m7h s SER 34 CO 0.64 -0.70 0.00 0.00 1.20 0.00 0.00 173.24 174.38 1m7h n ALA 35 N 1.47 -0.04 0.34 5.45 0.00 -1.26 -4.82 120.51 121.64 1m7h n ALA 35 Ca 0.04 0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.67 1m7h n ALA 35 Cb 0.40 -0.83 0.52 0.00 0.00 0.00 0.00 19.45 19.55 1m7h n ALA 35 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1m7h h SER 36 N 0.00 0.00 0.00 0.00 4.64 -1.66 -3.44 113.55 113.09 1m7h h SER 36 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1m7h h SER 36 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1m7h h SER 36 CO 0.09 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1m7h n GLY 37 N 0.33 1.29 0.17 -0.77 0.00 -1.26 -4.84 105.19 100.11 1m7h n GLY 37 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1m7h n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1m7h h LYS 38 N 1.49 -0.10 -0.70 1.61 1.57 -1.90 -1.70 116.57 116.84 1m7h h LYS 38 Ca 0.00 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1m7h h LYS 38 Cb 0.00 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1m7h h LYS 38 CO 0.00 -0.07 0.23 0.77 -0.57 0.00 0.00 179.45 179.81 1m7h h SER 39 N -0.11 1.01 -0.41 0.86 0.02 -1.97 0.17 113.55 113.12 1m7h h SER 39 Ca 0.12 -0.20 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1m7h h SER 39 Cb 0.29 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1m7h h SER 39 CO -0.28 0.94 0.19 0.74 -1.14 0.00 0.00 176.83 177.28 1m7h h THR 40 N 1.02 0.95 -0.57 -2.27 2.02 -1.95 0.26 112.91 112.37 1m7h h THR 40 Ca 0.23 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 67.17 1m7h h THR 40 Cb 0.28 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1m7h h THR 40 CO -0.01 0.07 -0.05 -0.07 0.37 0.00 0.00 175.52 175.83 1m7h h LEU 41 N 0.39 1.02 -0.20 2.58 4.07 -0.94 -2.53 115.31 119.70 1m7h h LEU 41 Ca 0.18 -0.31 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 1m7h h LEU 41 Cb 0.11 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 1m7h h LEU 41 CO -0.14 1.10 0.09 0.00 -1.08 0.00 0.00 178.44 178.40 1m7h h ALA 42 N 1.00 0.26 0.12 1.53 0.00 0.28 0.75 119.26 123.20 1m7h h ALA 42 Ca 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1m7h h ALA 42 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1m7h h ALA 42 CO 0.04 -0.16 -0.09 0.28 0.00 0.00 0.00 179.25 179.32 1m7h h VAL 43 N 0.18 0.80 -0.54 0.00 2.07 -0.49 0.65 116.25 118.93 1m7h h VAL 43 Ca 0.07 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 1m7h h VAL 43 Cb 0.15 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1m7h h VAL 43 CO -0.01 0.00 0.07 -0.08 0.02 0.00 0.00 177.57 177.57 1m7h h GLU 44 N -0.22 0.87 -0.38 1.57 4.57 -1.40 -1.04 114.58 118.55 1m7h h GLU 44 Ca -0.01 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 57.94 1m7h h GLU 44 Cb 0.19 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1m7h h GLU 44 CO -0.00 0.83 0.18 1.25 -1.18 0.00 0.00 179.01 180.08 1m7h h LEU 45 N 0.82 0.51 -0.76 1.64 5.85 -0.60 -1.26 115.31 121.51 1m7h h LEU 45 Ca 0.17 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1m7h h LEU 45 Cb 0.40 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1m7h h LEU 45 CO 0.01 0.51 0.37 -0.08 -0.34 0.00 0.00 178.44 178.91 1m7h h GLU 46 N 0.48 1.09 0.05 1.25 4.81 -0.54 -0.44 114.58 121.27 1m7h h GLU 46 Ca 0.13 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1m7h h GLU 46 Cb 0.14 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1m7h h GLU 46 CO -0.01 0.84 -0.11 0.45 -0.73 0.00 0.00 179.01 179.45 1m7h h HIS 47 N 1.07 -0.27 -0.46 0.92 3.86 -0.86 -1.23 115.15 118.19 1m7h h HIS 47 Ca 0.26 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.46 1m7h h HIS 47 Cb 0.11 0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1m7h h HIS 47 CO 0.01 -0.16 0.22 1.96 0.86 0.00 0.00 177.93 180.81 1m7h h GLN 48 N -0.21 0.66 -0.31 2.45 4.20 -0.93 0.18 115.11 121.15 1m7h h GLN 48 Ca 0.02 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1m7h h GLN 48 Cb 0.23 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1m7h h GLN 48 CO -0.07 0.57 0.10 -0.07 -0.67 0.00 0.00 178.83 178.69 1m7h h LEU 49 N 0.60 0.44 -0.07 1.46 3.38 -0.96 -0.46 115.31 119.70 1m7h h LEU 49 Ca 0.16 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1m7h h LEU 49 Cb 0.13 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1m7h h LEU 49 CO -0.02 0.52 -0.36 0.58 0.09 0.00 0.00 178.44 179.25 1m7h h VAL 50 N 0.34 1.42 0.02 1.22 2.07 -1.18 -1.60 116.25 118.54 1m7h h VAL 50 Ca 0.10 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 65.86 1m7h h VAL 50 Cb 0.23 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1m7h h VAL 50 CO -0.00 0.51 -0.01 -0.09 0.02 0.00 0.00 177.57 177.99 1m7h h ARG 51 N -0.12 -0.03 -0.03 1.57 2.43 -0.69 -3.10 114.38 114.41 1m7h h ARG 51 Ca -0.02 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.96 1m7h h ARG 51 Cb 1.01 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 1m7h h ARG 51 CO 0.07 -0.02 -0.79 -0.44 -1.51 0.00 0.00 179.97 177.28 1m7h h ASP 52 N -0.60 0.36 0.13 -3.80 3.32 -1.25 -3.27 116.42 111.30 1m7h h ASP 52 Ca -0.00 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1m7h h ASP 52 Cb 0.02 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1m7h h ASP 52 CO 0.01 1.01 -0.65 0.54 -1.72 0.00 0.00 179.24 178.42 1m7h n ARG 53 N -3.76 0.45 -2.44 3.56 5.12 -0.53 -4.41 116.66 114.64 1m7h n ARG 53 Ca -0.04 -0.34 -0.17 0.00 -1.93 0.00 0.00 57.85 55.37 1m7h n ARG 53 Cb 0.75 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.55 1m7h n ARG 53 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1m7h n ARG 54 N -0.98 -1.93 -4.05 5.56 5.12 -0.90 -4.84 116.66 114.65 1m7h n ARG 54 Ca 0.07 0.81 -0.25 0.00 -1.93 0.00 0.00 57.85 56.55 1m7h n ARG 54 Cb 0.37 -5.26 -0.06 0.00 -1.16 0.00 0.00 32.46 26.35 1m7h n ARG 54 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1m7h s VAL 55 N -2.89 2.21 -0.27 1.55 -7.23 -0.65 -4.99 120.40 108.13 1m7h s VAL 55 Ca 0.05 -1.63 -0.19 0.00 -1.81 0.00 0.00 61.98 58.40 1m7h s VAL 55 Cb -0.02 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 1m7h s VAL 55 CO 0.07 0.00 0.57 -2.28 -0.31 0.00 0.00 175.10 173.14 1m7h s HIS 56 N -2.62 3.26 0.04 2.82 5.65 -1.26 -3.93 115.29 119.25 1m7h s HIS 56 Ca 0.39 0.67 -0.01 0.00 0.25 0.00 0.00 55.06 56.36 1m7h s HIS 56 Cb 0.02 -2.80 -0.03 0.00 -1.18 0.00 0.00 32.58 28.59 1m7h s HIS 56 CO 0.22 -0.33 -0.02 0.00 -0.65 0.00 0.00 174.74 173.96 1m7h s ALA 57 N 2.42 0.32 -0.13 1.58 0.00 -1.26 -1.55 121.76 123.13 1m7h s ALA 57 Ca 0.23 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 51.17 1m7h s ALA 57 Cb -0.15 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.24 1m7h s ALA 57 CO 0.09 -0.29 0.32 -0.47 0.00 0.00 0.00 175.76 175.41 1m7h s TYR 58 N -2.96 -0.41 -0.03 0.00 5.04 -0.62 -4.90 117.35 113.47 1m7h s TYR 58 Ca -0.02 0.94 -0.23 0.00 -2.44 0.00 0.00 57.07 55.33 1m7h s TYR 58 Cb 0.01 0.13 -0.05 0.00 0.35 0.00 0.00 41.96 42.41 1m7h s TYR 58 CO -0.06 -0.24 0.67 1.03 -1.34 0.00 0.00 175.55 175.61 1m7h s ARG 59 N 0.88 4.41 -0.29 4.97 0.52 -1.26 -1.26 118.95 126.92 1m7h s ARG 59 Ca -0.06 0.85 -0.04 0.00 -0.52 0.00 0.00 55.73 55.96 1m7h s ARG 59 Cb -0.07 -3.40 0.03 0.00 0.52 0.00 0.00 34.95 32.04 1m7h s ARG 59 CO -0.06 0.21 0.02 -0.51 0.02 0.00 0.00 175.30 174.98 1m7h s LEU 60 N 0.31 3.77 0.00 2.53 1.43 0.14 -4.93 118.68 121.93 1m7h s LEU 60 Ca 0.35 -0.99 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 1m7h s LEU 60 Cb -0.18 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 1m7h s LEU 60 CO 0.18 -0.22 0.11 -0.67 0.23 0.00 0.00 176.35 175.98 1m7h n ASP 61 N 4.74 0.77 -0.21 2.29 -0.08 -1.26 -1.66 116.55 121.14 1m7h n ASP 61 Ca -0.14 -2.32 -0.06 0.00 -1.51 0.00 0.00 54.79 50.76 1m7h n ASP 61 Cb 0.46 0.71 0.03 0.00 2.34 0.00 0.00 41.12 44.66 1m7h n ASP 61 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1m7h h GLY 62 N 1.04 0.85 -0.05 0.27 0.00 -1.98 -2.89 103.07 100.30 1m7h h GLY 62 Ca -0.18 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 46.82 1m7h h GLY 62 CO 0.28 0.33 -0.04 -0.55 0.00 0.00 0.00 176.54 176.55 1m7h h ASP 63 N 0.80 -0.16 0.44 0.19 3.32 -1.97 0.13 116.42 119.17 1m7h h ASP 63 Ca 0.22 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1m7h h ASP 63 Cb -0.06 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1m7h h ASP 63 CO -0.04 -0.02 0.00 -0.46 -1.72 0.00 0.00 179.24 176.99 1m7h n ASN 64 N -3.04 0.00 -0.09 6.45 6.94 -1.24 -4.06 115.26 120.22 1m7h n ASN 64 Ca -0.00 -0.25 -0.18 0.00 -0.02 0.00 0.00 54.58 54.12 1m7h n ASN 64 Cb 0.02 -0.24 -0.06 0.00 -2.36 0.00 0.00 39.78 37.15 1m7h n ASN 64 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1m7h n ILE 65 N -1.24 0.99 0.26 1.53 2.08 -0.91 -4.33 119.36 117.74 1m7h n ILE 65 Ca 0.15 -0.22 0.12 0.00 0.56 0.00 0.00 62.75 63.35 1m7h n ILE 65 Cb 0.20 -1.76 0.76 0.00 -0.75 0.00 0.00 39.64 38.09 1m7h n ILE 65 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1m7h h ARG 66 N -0.63 0.00 -0.02 0.38 2.47 -0.94 -0.95 114.38 114.68 1m7h h ARG 66 Ca -0.42 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 1m7h h ARG 66 Cb 1.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.67 1m7h h ARG 66 CO -0.26 0.00 -0.25 1.19 0.56 0.00 0.00 179.97 181.21 1m7h n PHE 67 N -4.23 0.00 0.00 3.04 0.99 -1.26 -2.90 117.46 113.11 1m7h n PHE 67 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 1m7h n PHE 67 Cb 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.60 1m7h n PHE 67 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1m7h n GLY 68 N 1.38 1.19 0.27 1.37 0.00 -0.85 -4.68 105.19 103.88 1m7h n GLY 68 Ca 0.11 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1m7h n GLY 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1m7h h LEU 69 N 0.00 -0.33 -3.73 0.99 5.85 -1.77 -2.19 115.31 114.13 1m7h h LEU 69 Ca 0.00 0.19 -0.33 0.00 0.84 0.00 0.00 57.88 58.58 1m7h h LEU 69 Cb 0.00 0.33 -0.20 0.00 0.37 0.00 0.00 40.66 41.16 1m7h h LEU 69 CO 0.00 -0.17 0.34 0.59 -0.34 0.00 0.00 178.44 178.86 1m7h n ASN 70 N -5.33 3.73 0.26 1.25 3.02 -0.42 -4.57 115.26 113.20 1m7h n ASN 70 Ca 0.13 -3.52 0.13 0.00 -0.03 0.00 0.00 54.58 51.29 1m7h n ASN 70 Cb 0.45 -0.75 0.73 0.00 -0.61 0.00 0.00 39.78 39.60 1m7h n ASN 70 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1m7h h LYS 71 N 1.48 0.00 -0.00 3.52 2.10 -1.26 -2.40 116.57 120.02 1m7h h LYS 71 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 1m7h h LYS 71 Cb 2.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.69 1m7h h LYS 71 CO 0.79 0.11 -0.01 -0.40 -2.00 0.00 0.00 179.45 177.94 1m7h n ASP 72 N -3.53 0.03 -4.70 7.07 5.75 -1.26 -4.81 116.55 115.11 1m7h n ASP 72 Ca -0.01 -0.07 -0.38 0.00 -0.01 0.00 0.00 54.79 54.32 1m7h n ASP 72 Cb 0.25 -0.30 -0.07 0.00 -1.03 0.00 0.00 41.12 39.97 1m7h n ASP 72 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1m7h s LEU 73 N -2.64 4.21 0.00 -2.12 1.43 -0.90 -5.04 118.68 113.62 1m7h s LEU 73 Ca 0.26 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 1m7h s LEU 73 Cb 0.20 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1m7h s LEU 73 CO 0.48 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.66 1m7h n GLY 74 N 3.60 0.52 0.00 -3.19 0.00 -1.26 -5.07 105.19 99.79 1m7h n GLY 74 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1m7h n GLY 74 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1m7h n PHE 75 N 0.00 0.00 -1.41 1.61 3.72 -1.26 -4.75 117.46 115.37 1m7h n PHE 75 Ca 0.00 -0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.04 1m7h n PHE 75 Cb 0.00 -0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.63 1m7h n PHE 75 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1m7h n SER 76 N -0.00 0.87 0.25 4.37 3.41 -1.26 -4.61 113.62 116.64 1m7h n SER 76 Ca 0.00 0.70 0.08 0.00 -0.26 0.00 0.00 58.87 59.38 1m7h n SER 76 Cb 0.20 -1.45 0.61 0.00 -0.26 0.00 0.00 64.21 63.31 1m7h n SER 76 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1m7h h GLU 77 N -0.14 0.00 -0.00 4.33 5.08 -1.99 0.30 114.58 122.15 1m7h h GLU 77 Ca -0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1m7h h GLU 77 Cb 1.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1m7h h GLU 77 CO 0.48 0.07 -0.05 0.00 -1.00 0.00 0.00 179.01 178.52 1m7h h ALA 78 N 1.93 1.92 0.22 3.43 0.00 -2.00 -1.54 119.26 123.21 1m7h h ALA 78 Ca -0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 1m7h h ALA 78 Cb 0.13 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 17.95 1m7h h ALA 78 CO 0.01 0.06 -1.36 -0.44 0.00 0.00 0.00 179.25 177.52 1m7h h ASP 79 N 0.00 0.82 0.43 0.00 5.19 -0.77 -2.61 116.42 119.48 1m7h h ASP 79 Ca -0.00 -0.90 -0.09 0.00 -0.62 0.00 0.00 57.03 55.41 1m7h h ASP 79 Cb 0.08 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.32 1m7h h ASP 79 CO 0.01 1.66 -0.43 -0.09 -3.12 0.00 0.00 179.24 177.26 1m7h h ARG 80 N 0.11 0.01 -0.12 3.56 2.43 -0.88 0.18 114.38 119.66 1m7h h ARG 80 Ca -0.23 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 1m7h h ARG 80 Cb 2.06 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.61 1m7h h ARG 80 CO 0.26 0.44 -0.13 -0.91 -1.51 0.00 0.00 179.97 178.11 1m7h h ASN 81 N 0.01 0.33 -0.61 -3.80 2.35 -1.37 -2.85 115.58 109.65 1m7h h ASN 81 Ca -0.00 -0.49 -0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1m7h h ASN 81 Cb 0.77 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 1m7h h ASN 81 CO 0.06 0.76 0.37 -0.08 -1.65 0.00 0.00 177.43 176.88 1m7h h GLU 82 N -0.08 0.82 -0.44 0.81 4.57 -1.18 0.19 114.58 119.27 1m7h h GLU 82 Ca 0.02 -0.07 0.09 0.00 -1.18 0.00 0.00 59.36 58.21 1m7h h GLU 82 Cb 0.67 -0.17 -0.08 0.00 -0.16 0.00 0.00 28.75 29.01 1m7h h GLU 82 CO 0.03 0.59 -0.03 -0.97 -1.18 0.00 0.00 179.01 177.45 1m7h h ASN 83 N 0.82 -0.25 -0.35 1.04 -1.24 -0.65 -0.18 115.58 114.77 1m7h h ASN 83 Ca 0.22 0.11 -0.06 0.00 0.71 0.00 0.00 56.30 57.28 1m7h h ASN 83 Cb -0.02 0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 1m7h h ASN 83 CO -0.04 -0.09 -0.03 0.40 -1.29 0.00 0.00 177.43 176.39 1m7h h ILE 84 N 0.07 1.27 -0.16 2.57 1.08 -1.22 -2.46 117.51 118.66 1m7h h ILE 84 Ca 0.22 -1.04 0.02 0.00 -0.39 0.00 0.00 64.86 63.68 1m7h h ILE 84 Cb 0.33 1.23 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 1m7h h ILE 84 CO -0.39 0.34 0.02 -0.09 -0.69 0.00 0.00 178.15 177.33 1m7h h ARG 85 N 0.44 0.07 -0.59 2.37 2.43 -0.20 -0.83 114.38 118.07 1m7h h ARG 85 Ca 0.10 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1m7h h ARG 85 Cb 0.50 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1m7h h ARG 85 CO 0.02 0.05 0.31 0.00 -1.51 0.00 0.00 179.97 178.84 1m7h h ARG 86 N 0.07 0.83 -0.98 0.20 3.08 -1.05 -1.41 114.38 115.13 1m7h h ARG 86 Ca 0.07 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1m7h h ARG 86 Cb 0.07 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 1m7h h ARG 86 CO -0.11 0.65 0.65 0.82 -1.07 0.00 0.00 179.97 180.91 1m7h h ILE 87 N 0.80 1.23 -0.52 2.04 2.04 -1.17 -0.02 117.51 121.92 1m7h h ILE 87 Ca 0.21 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 1m7h h ILE 87 Cb 0.07 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 35.93 1m7h h ILE 87 CO -0.03 0.24 0.10 0.00 0.00 0.00 0.00 178.15 178.46 1m7h h ALA 88 N 1.37 0.69 -0.57 1.87 0.00 -0.72 0.38 119.26 122.27 1m7h h ALA 88 Ca 0.37 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1m7h h ALA 88 Cb -0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1m7h h ALA 88 CO -0.09 0.40 -0.02 0.93 0.00 0.00 0.00 179.25 180.47 1m7h h GLU 89 N 0.73 1.03 -0.58 0.00 4.39 -0.61 -1.26 114.58 118.27 1m7h h GLU 89 Ca 0.16 -0.34 -0.06 0.00 0.34 0.00 0.00 59.36 59.46 1m7h h GLU 89 Cb 0.37 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1m7h h GLU 89 CO 0.01 1.03 0.12 0.28 -1.16 0.00 0.00 179.01 179.28 1m7h h VAL 90 N 0.92 1.25 -0.89 3.13 2.07 -0.76 -2.15 116.25 119.82 1m7h h VAL 90 Ca 0.16 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.77 1m7h h VAL 90 Cb 0.58 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1m7h h VAL 90 CO 0.03 0.34 0.58 0.00 0.02 0.00 0.00 177.57 178.55 1m7h h ALA 91 N 1.02 1.16 -0.76 1.67 0.00 -0.69 -1.82 119.26 119.84 1m7h h ALA 91 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1m7h h ALA 91 Cb 0.38 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1m7h h ALA 91 CO 0.01 0.46 0.36 -0.22 0.00 0.00 0.00 179.25 179.85 1m7h h LYS 92 N 1.14 1.09 -0.56 0.00 3.64 -0.84 0.09 116.57 121.13 1m7h h LYS 92 Ca 0.35 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1m7h h LYS 92 Cb -0.03 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.56 1m7h h LYS 92 CO -0.11 0.85 0.27 -0.07 -2.27 0.00 0.00 179.45 178.13 1m7h h LEU 93 N 1.07 0.73 -0.19 5.20 3.38 -0.90 0.40 115.31 124.99 1m7h h LEU 93 Ca 0.26 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1m7h h LEU 93 Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1m7h h LEU 93 CO -0.03 0.65 0.12 -0.26 0.09 0.00 0.00 178.44 179.01 1m7h h PHE 94 N 0.76 0.25 -0.69 1.13 0.04 -0.84 -0.86 116.94 116.73 1m7h h PHE 94 Ca 0.19 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.97 1m7h h PHE 94 Cb 0.11 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 1m7h h PHE 94 CO -0.00 0.19 0.46 0.00 -0.60 0.00 0.00 178.31 178.35 1m7h h ALA 95 N 1.04 0.87 -0.15 2.45 0.00 -0.55 -0.80 119.26 122.13 1m7h h ALA 95 Ca 0.07 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1m7h h ALA 95 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1m7h h ALA 95 CO -0.01 0.30 0.11 0.22 0.00 0.00 0.00 179.25 179.86 1m7h h ASP 96 N 0.93 0.02 -0.04 0.00 3.58 0.17 0.73 116.42 121.82 1m7h h ASP 96 Ca 0.25 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1m7h h ASP 96 Cb -0.11 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 40.94 1m7h h ASP 96 CO -0.06 0.02 0.00 -1.54 -2.88 0.00 0.00 179.24 174.78 1m7h n SER 97 N -4.50 0.44 -2.23 2.28 3.41 -0.36 -4.87 113.62 107.79 1m7h n SER 97 Ca 0.00 -1.45 -0.10 0.00 -0.26 0.00 0.00 58.87 57.06 1m7h n SER 97 Cb 0.21 -0.02 0.05 0.00 -0.26 0.00 0.00 64.21 64.19 1m7h n SER 97 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1m7h n ASN 98 N -0.51 -2.78 -4.48 4.04 3.02 0.25 -5.02 115.26 109.78 1m7h n ASN 98 Ca 0.16 -0.31 -0.24 0.00 -0.03 0.00 0.00 54.58 54.15 1m7h n ASN 98 Cb 0.14 -2.91 -0.10 0.00 -0.61 0.00 0.00 39.78 36.30 1m7h n ASN 98 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1m7h s SER 99 N -3.53 3.57 -0.41 6.41 0.15 -0.71 -4.59 113.70 114.58 1m7h s SER 99 Ca 0.10 -1.07 -0.10 0.00 0.70 0.00 0.00 55.95 55.58 1m7h s SER 99 Cb -0.05 -0.30 0.06 0.00 -1.71 0.00 0.00 66.02 64.02 1m7h s SER 99 CO 0.38 -0.03 0.25 -0.63 1.20 0.00 0.00 173.24 174.42 1m7h s ILE 100 N -2.56 4.43 0.28 6.45 1.01 -0.60 -2.08 121.20 128.14 1m7h s ILE 100 Ca 0.30 -1.19 -0.26 0.00 0.00 0.00 0.00 60.65 59.51 1m7h s ILE 100 Cb -0.03 -3.63 -0.09 0.00 0.01 0.00 0.00 42.46 38.72 1m7h s ILE 100 CO 0.15 -0.42 0.90 0.00 0.00 0.00 0.00 174.94 175.57 1m7h s ALA 101 N 1.49 3.28 -0.23 9.38 0.00 -0.21 -1.59 121.76 133.88 1m7h s ALA 101 Ca 0.03 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.46 1m7h s ALA 101 Cb -0.22 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 19.84 1m7h s ALA 101 CO 0.04 0.21 -0.01 0.42 0.00 0.00 0.00 175.76 176.42 1m7h s ILE 102 N -1.49 1.14 -0.07 0.00 1.01 -0.39 -0.64 121.20 120.76 1m7h s ILE 102 Ca 0.47 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 1m7h s ILE 102 Cb -0.20 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1m7h s ILE 102 CO 0.25 -0.18 0.03 0.42 0.00 0.00 0.00 174.94 175.46 1m7h s THR 103 N 1.57 4.52 -0.38 2.92 -4.23 -0.65 0.26 115.64 119.64 1m7h s THR 103 Ca -0.03 -0.23 0.01 0.00 -1.18 0.00 0.00 61.69 60.26 1m7h s THR 103 Cb -0.18 -2.94 0.14 0.00 1.34 0.00 0.00 72.50 70.86 1m7h s THR 103 CO -0.08 0.56 0.21 -0.94 -0.54 0.00 0.00 174.62 173.84 1m7h s SER 104 N -1.05 3.25 0.02 3.99 1.04 -0.66 -0.98 113.70 119.30 1m7h s SER 104 Ca 0.15 -2.30 0.02 0.00 0.48 0.00 0.00 55.95 54.31 1m7h s SER 104 Cb -0.11 -0.63 -0.01 0.00 0.10 0.00 0.00 66.02 65.36 1m7h s SER 104 CO 0.04 -0.30 -0.07 -0.36 0.98 0.00 0.00 173.24 173.53 1m7h s PHE 105 N 0.87 0.66 0.25 5.02 0.08 -1.25 -4.44 117.98 119.17 1m7h s PHE 105 Ca 0.17 -0.26 -0.05 0.00 0.12 0.00 0.00 56.93 56.92 1m7h s PHE 105 Cb -0.23 -0.41 0.49 0.00 -0.57 0.00 0.00 43.02 42.30 1m7h s PHE 105 CO -0.01 -0.03 1.65 0.82 -0.10 0.00 0.00 175.22 177.55 1m7h h ILE 106 N 4.78 0.38 -6.89 0.64 2.04 -1.85 -3.39 117.51 113.22 1m7h h ILE 106 Ca -0.32 -0.05 -0.57 0.00 1.00 0.00 0.00 64.86 64.92 1m7h h ILE 106 Cb 1.19 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1m7h h ILE 106 CO 0.46 0.03 -1.05 -1.54 0.00 0.00 0.00 178.15 176.05 1m7h n SER 107 N -5.28 -4.37 0.03 1.72 3.41 -1.26 -2.89 113.62 104.98 1m7h n SER 107 Ca 0.15 -1.19 0.08 0.00 -0.26 0.00 0.00 58.87 57.65 1m7h n SER 107 Cb 0.51 -1.62 0.51 0.00 -0.26 0.00 0.00 64.21 63.34 1m7h n SER 107 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1m7h h PRO 108 N -1.81 0.36 -5.67 4.33 0.13 -1.88 -3.44 132.00 124.02 1m7h h PRO 108 Ca -0.69 -0.02 -0.58 0.00 -0.87 0.00 0.00 66.00 63.83 1m7h h PRO 108 Cb 1.41 -0.08 -0.09 0.00 0.13 0.00 0.00 31.00 32.37 1m7h h PRO 108 CO 0.46 0.24 -0.13 0.71 -0.23 0.00 0.00 178.00 179.05 1m7h s TYR 109 N -5.35 3.47 0.29 1.56 2.02 -1.26 0.63 117.35 118.72 1m7h s TYR 109 Ca -0.07 0.84 0.02 0.00 -0.37 0.00 0.00 57.07 57.49 1m7h s TYR 109 Cb 0.18 -2.57 0.60 0.00 -0.40 0.00 0.00 41.96 39.77 1m7h s TYR 109 CO 0.72 0.10 1.84 0.00 -1.57 0.00 0.00 175.55 176.65 1m7h h ARG 110 N 6.92 0.92 -0.70 -0.62 3.08 -1.85 -2.10 114.38 120.03 1m7h h ARG 110 Ca -0.39 -0.06 0.11 0.00 0.07 0.00 0.00 59.98 59.72 1m7h h ARG 110 Cb 1.17 -0.21 -0.08 0.00 0.08 0.00 0.00 29.97 30.93 1m7h h ARG 110 CO 0.75 0.61 0.30 -0.22 -1.07 0.00 0.00 179.97 180.34 1m7h h LYS 111 N 0.95 0.47 -0.14 0.04 1.63 -1.96 0.20 116.57 117.76 1m7h h LYS 111 Ca 0.49 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 60.21 1m7h h LYS 111 Cb 0.52 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1m7h h LYS 111 CO -0.25 0.31 -0.09 -0.44 -3.45 0.00 0.00 179.45 175.53 1m7h h ASP 112 N 0.48 0.32 -0.79 4.20 3.32 -1.77 0.37 116.42 122.54 1m7h h ASP 112 Ca 0.37 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1m7h h ASP 112 Cb 0.48 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1m7h h ASP 112 CO -0.34 0.69 0.37 0.03 -1.72 0.00 0.00 179.24 178.27 1m7h h ARG 113 N -0.06 1.15 -0.63 3.56 3.08 -1.35 0.19 114.38 120.32 1m7h h ARG 113 Ca 0.03 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1m7h h ARG 113 Cb 0.58 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1m7h h ARG 113 CO 0.02 0.89 0.20 -0.44 -1.07 0.00 0.00 179.97 179.57 1m7h h ASP 114 N 1.14 0.92 -0.67 7.04 5.19 -0.48 0.12 116.42 129.67 1m7h h ASP 114 Ca 0.27 -0.21 -0.06 0.00 -0.62 0.00 0.00 57.03 56.42 1m7h h ASP 114 Cb 0.13 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.37 1m7h h ASP 114 CO -0.03 0.88 0.19 0.74 -3.12 0.00 0.00 179.24 177.90 1m7h h THR 115 N 0.91 1.26 -0.38 0.35 2.02 -0.21 -1.17 112.91 115.67 1m7h h THR 115 Ca 0.20 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1m7h h THR 115 Cb 0.29 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1m7h h THR 115 CO -0.01 0.35 0.21 0.00 0.37 0.00 0.00 175.52 176.44 1m7h h ALA 116 N 1.08 0.49 -0.04 6.16 0.00 -0.14 -2.23 119.26 124.58 1m7h h ALA 116 Ca 0.21 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1m7h h ALA 116 Cb 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1m7h h ALA 116 CO -0.00 0.02 -0.03 -0.09 0.00 0.00 0.00 179.25 179.15 1m7h h ARG 117 N 0.49 -0.04 0.00 0.00 2.43 -0.48 -2.54 114.38 114.24 1m7h h ARG 117 Ca 0.13 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1m7h h ARG 117 Cb 0.07 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1m7h h ARG 117 CO -0.02 -0.03 -0.16 -0.56 -1.51 0.00 0.00 179.97 177.70 1m7h h GLN 118 N -0.04 0.00 -0.32 0.20 3.07 -1.13 0.21 115.11 117.09 1m7h h GLN 118 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.75 1m7h h GLN 118 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.62 1m7h h GLN 118 CO -0.06 0.16 0.14 1.25 0.09 0.00 0.00 178.83 180.40 1m7h h LEU 119 N 0.00 0.40 0.01 0.06 5.85 -0.97 -0.21 115.31 120.44 1m7h h LEU 119 Ca -0.00 -0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.48 1m7h h LEU 119 Cb 0.31 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1m7h h LEU 119 CO 0.02 0.36 -1.11 0.45 -0.34 0.00 0.00 178.44 177.82 1m7h h HIS 120 N 0.45 0.03 0.00 1.25 3.86 -0.77 -3.40 115.15 116.58 1m7h h HIS 120 Ca 0.11 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1m7h h HIS 120 Cb 0.08 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 1m7h h HIS 120 CO 0.00 1.43 -0.14 0.93 0.86 0.00 0.00 177.93 181.02 1m7h h GLU 121 N -0.94 0.00 -2.59 2.45 5.08 -0.70 0.30 114.58 118.18 1m7h h GLU 121 Ca -0.30 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.95 1m7h h GLU 121 Cb 1.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 1m7h h GLU 121 CO -0.16 0.14 0.25 1.33 -1.00 0.00 0.00 179.01 179.56 1m7h n VAL 122 N -3.20 1.54 0.00 3.13 0.24 -0.09 -4.62 118.33 115.33 1m7h n VAL 122 Ca 0.02 -0.79 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1m7h n VAL 122 Cb 0.47 -1.77 0.00 0.00 -1.47 0.00 0.00 33.84 31.06 1m7h n VAL 122 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1m7h n THR 129 N 2.88 0.00 -1.31 3.34 -1.04 -1.26 -4.82 114.28 112.06 1m7h n THR 129 Ca 0.23 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.40 1m7h n THR 129 Cb 0.43 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.86 1m7h n THR 129 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1m7h n GLY 130 N 0.00 -3.13 3.68 3.41 0.00 -1.26 -4.94 105.19 102.95 1m7h n GLY 130 Ca 0.00 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 1m7h n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1m7h s LEU 131 N -6.99 3.49 0.41 0.99 2.01 0.11 -4.95 118.68 113.74 1m7h s LEU 131 Ca 0.00 -0.06 -0.25 0.00 0.01 0.00 0.00 54.13 53.82 1m7h s LEU 131 Cb 0.00 -2.08 -0.08 0.00 0.01 0.00 0.00 46.19 44.04 1m7h s LEU 131 CO 0.00 0.25 1.20 -2.84 1.01 0.00 0.00 176.35 175.97 1m7h s PRO 132 N -1.80 4.00 -0.27 1.29 0.02 -1.26 -3.60 135.00 133.39 1m7h s PRO 132 Ca 0.22 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.15 1m7h s PRO 132 Cb -0.12 -2.68 0.08 0.00 0.02 0.00 0.00 34.50 31.81 1m7h s PRO 132 CO 0.13 -0.39 0.02 0.12 -0.33 0.00 0.00 177.00 176.56 1m7h s PHE 133 N -1.38 2.19 -0.65 6.54 2.19 -1.26 -2.06 117.98 123.55 1m7h s PHE 133 Ca 0.58 -1.81 -0.16 0.00 0.33 0.00 0.00 56.93 55.86 1m7h s PHE 133 Cb -0.32 -1.75 0.15 0.00 -1.31 0.00 0.00 43.02 39.78 1m7h s PHE 133 CO 0.41 -0.81 0.65 0.08 1.83 0.00 0.00 175.22 177.38 1m7h s VAL 134 N 1.46 5.19 -0.28 3.12 1.01 0.26 -4.94 120.40 126.22 1m7h s VAL 134 Ca 0.02 -1.63 -0.29 0.00 0.00 0.00 0.00 61.98 60.09 1m7h s VAL 134 Cb -0.18 -4.43 0.01 0.00 0.00 0.00 0.00 36.38 31.78 1m7h s VAL 134 CO -0.13 -1.01 1.10 -0.70 0.00 0.00 0.00 175.10 174.36 1m7h s GLU 135 N 1.56 4.12 -0.25 2.72 2.12 -1.26 -0.66 118.70 127.05 1m7h s GLU 135 Ca 0.10 1.20 -0.05 0.00 0.36 0.00 0.00 54.97 56.59 1m7h s GLU 135 Cb -0.22 -3.73 -0.01 0.00 0.26 0.00 0.00 34.13 30.44 1m7h s GLU 135 CO 0.00 -0.84 0.01 0.08 -0.54 0.00 0.00 175.26 173.98 1m7h s VAL 136 N 3.59 3.72 -0.47 3.70 1.01 0.88 -1.54 120.40 131.29 1m7h s VAL 136 Ca 0.47 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 1m7h s VAL 136 Cb -0.14 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.50 1m7h s VAL 136 CO 0.13 0.30 0.73 -0.47 0.00 0.00 0.00 175.10 175.80 1m7h s TYR 137 N 1.51 2.99 -0.77 5.22 5.04 -0.11 -1.08 117.35 130.16 1m7h s TYR 137 Ca 0.05 -0.06 -0.20 0.00 -2.44 0.00 0.00 57.07 54.42 1m7h s TYR 137 Cb -0.15 -3.60 0.11 0.00 0.35 0.00 0.00 41.96 38.67 1m7h s TYR 137 CO -0.00 -1.02 0.97 0.08 -1.34 0.00 0.00 175.55 174.24 1m7h s VAL 138 N 3.12 4.65 -0.22 3.14 1.01 0.39 -0.83 120.40 131.67 1m7h s VAL 138 Ca 0.25 -1.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 1m7h s VAL 138 Cb -0.14 -4.68 -0.04 0.00 0.00 0.00 0.00 36.38 31.52 1m7h s VAL 138 CO 0.19 -1.39 0.10 -0.62 0.00 0.00 0.00 175.10 173.38 1m7h s ASP 139 N 3.58 5.71 -0.02 3.32 2.15 0.62 -4.35 116.67 127.67 1m7h s ASP 139 Ca 0.24 0.03 -0.03 0.00 0.43 0.00 0.00 52.55 53.22 1m7h s ASP 139 Cb -0.13 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 1m7h s ASP 139 CO 0.00 0.09 0.07 0.68 -0.17 0.00 0.00 175.17 175.84 1m7h s VAL 140 N 0.90 0.03 0.68 1.11 -7.23 -1.26 -0.93 120.40 113.70 1m7h s VAL 140 Ca 0.05 -0.29 -0.15 0.00 -1.81 0.00 0.00 61.98 59.79 1m7h s VAL 140 Cb -0.13 -0.20 0.01 0.00 0.56 0.00 0.00 36.38 36.61 1m7h s VAL 140 CO 0.03 -0.16 1.12 -2.16 -0.31 0.00 0.00 175.10 173.62 1m7h s PRO 141 N -0.48 2.64 0.40 4.82 0.04 -1.26 -4.84 135.00 136.32 1m7h s PRO 141 Ca -0.06 1.43 0.12 0.00 0.04 0.00 0.00 61.00 62.54 1m7h s PRO 141 Cb -0.04 -1.93 0.94 0.00 0.04 0.00 0.00 34.50 33.51 1m7h s PRO 141 CO 0.00 -1.38 1.92 -0.24 0.04 0.00 0.00 177.00 177.34 1m7h h VAL 142 N -0.12 0.85 -0.33 -0.36 3.04 -2.00 -0.91 116.25 116.42 1m7h h VAL 142 Ca -0.47 -0.19 0.01 0.00 -1.01 0.00 0.00 66.70 65.04 1m7h h VAL 142 Cb 1.25 0.26 -0.02 0.00 -2.01 0.00 0.00 31.29 30.77 1m7h h VAL 142 CO 0.53 0.10 0.22 -0.33 -1.01 0.00 0.00 177.57 177.08 1m7h h GLU 143 N 0.54 0.42 -0.12 4.17 3.07 -1.98 0.16 114.58 120.83 1m7h h GLU 143 Ca 0.37 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 59.13 1m7h h GLU 143 Cb 0.69 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1m7h h GLU 143 CO -0.14 0.28 -0.23 0.28 -1.40 0.00 0.00 179.01 177.80 1m7h h VAL 144 N 0.43 1.38 -0.16 3.13 2.07 -1.51 -1.89 116.25 119.69 1m7h h VAL 144 Ca 0.12 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 1m7h h VAL 144 Cb -0.03 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1m7h h VAL 144 CO -0.03 0.44 0.10 0.00 0.02 0.00 0.00 177.57 178.10 1m7h h ALA 145 N 0.54 0.21 -0.01 1.67 0.00 -1.30 -2.24 119.26 118.13 1m7h h ALA 145 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1m7h h ALA 145 Cb 0.81 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1m7h h ALA 145 CO 0.05 -0.28 0.01 1.49 0.00 0.00 0.00 179.25 180.52 1m7h h GLU 146 N 0.18 0.00 0.00 0.00 4.81 -0.69 -0.27 114.58 118.61 1m7h h GLU 146 Ca 0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1m7h h GLU 146 Cb 0.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1m7h h GLU 146 CO -0.01 0.00 -0.08 1.96 -0.73 0.00 0.00 179.01 180.15 1m7h h GLN 147 N 0.00 0.00 0.03 1.92 1.08 -0.92 -3.30 115.11 113.92 1m7h h GLN 147 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1m7h h GLN 147 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1m7h h GLN 147 CO -0.00 0.04 -0.01 0.00 -0.95 0.00 0.00 178.83 177.91 1m7h h ARG 148 N 0.00 -0.04 -6.95 1.46 3.08 -0.56 -3.47 114.38 107.90 1m7h h ARG 148 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 1m7h h ARG 148 Cb 1.03 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1m7h h ARG 148 CO 0.01 0.28 -0.38 -3.47 -1.07 0.00 0.00 179.97 175.33 1m7h n ASP 149 N -4.76 -1.13 0.30 7.04 2.03 -0.26 -4.77 116.55 114.99 1m7h n ASP 149 Ca -0.04 -0.50 0.19 0.00 0.52 0.00 0.00 54.79 54.96 1m7h n ASP 149 Cb 0.16 -0.60 1.01 0.00 -0.72 0.00 0.00 41.12 40.97 1m7h n ASP 149 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1m7h h PRO 150 N 0.71 0.00 -0.08 -0.67 0.13 -1.91 -2.27 132.00 127.90 1m7h h PRO 150 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1m7h h PRO 150 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1m7h h PRO 150 CO 0.21 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.61 1m7h n LYS 151 N -3.39 2.42 -1.19 0.86 5.02 -1.26 -4.97 118.16 115.65 1m7h n LYS 151 Ca -0.02 -2.09 -0.06 0.00 -2.02 0.00 0.00 58.31 54.12 1m7h n LYS 151 Cb 0.17 -1.30 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 1m7h n LYS 151 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1m7h n GLY 152 N -0.66 0.72 0.32 0.72 0.00 -0.86 -4.88 105.19 100.56 1m7h n GLY 152 Ca 0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 1m7h n GLY 152 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1m7h h LEU 153 N 0.00 1.08 -0.49 0.99 3.38 -1.93 -1.85 115.31 116.49 1m7h h LEU 153 Ca -0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1m7h h LEU 153 Cb 0.87 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1m7h h LEU 153 CO 0.19 1.03 0.19 1.88 0.09 0.00 0.00 178.44 181.82 1m7h h TYR 154 N 1.08 0.74 -0.36 1.13 0.05 -1.91 0.18 116.97 117.88 1m7h h TYR 154 Ca 0.22 -0.06 0.04 0.00 0.05 0.00 0.00 58.73 58.99 1m7h h TYR 154 Cb 0.37 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 37.85 1m7h h TYR 154 CO 0.03 0.63 0.13 -0.22 -1.05 0.00 0.00 178.16 177.67 1m7h h LYS 155 N 0.65 0.27 -0.86 4.88 3.64 -1.87 0.64 116.57 123.92 1m7h h LYS 155 Ca 0.16 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1m7h h LYS 155 Cb 0.20 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1m7h h LYS 155 CO -0.01 0.18 0.51 0.87 -2.27 0.00 0.00 179.45 178.73 1m7h h LYS 156 N 0.28 1.16 -0.57 1.90 1.57 -0.99 -1.87 116.57 118.05 1m7h h LYS 156 Ca 0.17 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1m7h h LYS 156 Cb 0.14 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1m7h h LYS 156 CO -0.17 0.82 0.15 0.00 -0.57 0.00 0.00 179.45 179.68 1m7h h ALA 157 N 1.38 0.76 -0.69 3.86 0.00 0.11 -0.43 119.26 124.25 1m7h h ALA 157 Ca 0.31 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1m7h h ALA 157 Cb -0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1m7h h ALA 157 CO -0.06 0.45 0.44 0.00 0.00 0.00 0.00 179.25 180.08 1m7h h ARG 158 N 0.82 0.91 -0.01 0.00 2.47 -0.42 -2.20 114.38 115.95 1m7h h ARG 158 Ca 0.18 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1m7h h ARG 158 Cb 0.34 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1m7h h ARG 158 CO 0.00 0.62 -0.01 0.39 0.56 0.00 0.00 179.97 181.53 1m7h n GLU 159 N -4.42 1.23 -1.02 0.04 1.02 -0.75 -4.91 120.64 111.84 1m7h n GLU 159 Ca 0.07 -0.41 -0.01 0.00 -0.02 0.00 0.00 57.16 56.79 1m7h n GLU 159 Cb 0.05 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1m7h n GLU 159 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1m7h n GLY 160 N 1.10 0.46 0.13 0.62 0.00 -0.83 -4.89 105.19 101.78 1m7h n GLY 160 Ca 0.21 -0.16 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 1m7h n GLY 160 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1m7h h VAL 161 N 0.00 1.49 -3.12 1.61 2.07 -1.34 -3.40 116.25 113.55 1m7h h VAL 161 Ca -0.01 -2.46 -0.66 0.00 0.82 0.00 0.00 66.70 64.39 1m7h h VAL 161 Cb 0.17 2.33 -0.35 0.00 -1.52 0.00 0.00 31.29 31.93 1m7h h VAL 161 CO 0.02 0.71 -0.86 -0.63 0.02 0.00 0.00 177.57 176.83 1m7h s ILE 162 N -3.36 1.99 0.48 4.57 1.01 -1.15 -4.98 121.20 119.75 1m7h s ILE 162 Ca -0.02 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 1m7h s ILE 162 Cb 0.11 -1.79 -0.00 0.00 0.01 0.00 0.00 42.46 40.79 1m7h s ILE 162 CO 0.80 0.53 0.72 -0.54 0.00 0.00 0.00 174.94 176.46 1m7h s LYS 163 N 1.14 3.04 -1.38 2.79 -0.14 -1.26 -4.36 119.74 119.57 1m7h s LYS 163 Ca 0.01 -0.38 -0.11 0.00 -1.36 0.00 0.00 55.97 54.13 1m7h s LYS 163 Cb -0.14 -2.49 0.01 0.00 -1.68 0.00 0.00 37.83 33.53 1m7h s LYS 163 CO -0.09 -0.36 0.37 0.39 -0.76 0.00 0.00 175.35 174.90 1m7h n GLU 164 N -2.19 -1.44 -3.21 1.68 1.02 -1.26 -4.90 120.64 110.34 1m7h n GLU 164 Ca 0.02 0.21 -0.40 0.00 -0.02 0.00 0.00 57.16 56.98 1m7h n GLU 164 Cb 0.58 -3.64 -0.07 0.00 -0.02 0.00 0.00 31.44 28.28 1m7h n GLU 164 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1m7h s PHE 165 N -3.95 3.30 -0.01 -0.32 5.36 -1.26 -4.65 117.98 116.45 1m7h s PHE 165 Ca 0.18 0.72 -0.38 0.00 -0.96 0.00 0.00 56.93 56.49 1m7h s PHE 165 Cb -0.09 -2.73 -0.16 0.00 -0.34 0.00 0.00 43.02 39.70 1m7h s PHE 165 CO 0.95 -0.23 1.46 2.41 -1.46 0.00 0.00 175.22 178.34 1m7h n THR 166 N 4.97 0.09 -0.06 0.12 -1.04 -1.26 -0.32 114.28 116.78 1m7h n THR 166 Ca -0.03 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1m7h n THR 166 Cb 0.50 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 1m7h n THR 166 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1m7h n GLY 167 N 3.00 2.06 1.22 3.41 0.00 0.70 -4.75 105.19 110.83 1m7h n GLY 167 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1m7h n GLY 167 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1m7h n ILE 168 N -2.00 0.69 -0.87 -0.61 2.08 -0.16 -4.89 119.36 113.60 1m7h n ILE 168 Ca 0.00 0.23 0.04 0.00 0.56 0.00 0.00 62.75 63.58 1m7h n ILE 168 Cb 0.00 -1.36 0.06 0.00 -0.75 0.00 0.00 39.64 37.58 1m7h n ILE 168 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1m7h n SER 169 N -3.31 1.58 -3.66 4.38 3.41 0.56 -4.96 113.62 111.63 1m7h n SER 169 Ca 0.00 -2.32 -0.12 0.00 -0.26 0.00 0.00 58.87 56.17 1m7h n SER 169 Cb 0.13 -0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 1m7h n SER 169 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m7h s ALA 170 N -1.48 -1.00 0.53 7.33 0.00 -0.90 -4.15 121.76 122.07 1m7h s ALA 170 Ca 0.13 0.25 -0.08 0.00 0.00 0.00 0.00 51.96 52.26 1m7h s ALA 170 Cb 0.11 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 1m7h s ALA 170 CO 0.01 -0.49 0.87 -1.25 0.00 0.00 0.00 175.76 174.90 1m7h s PRO 171 N -2.74 3.58 -0.15 0.00 0.04 -1.26 -0.22 135.00 134.26 1m7h s PRO 171 Ca -0.04 0.42 -0.00 0.00 0.04 0.00 0.00 61.00 61.42 1m7h s PRO 171 Cb -0.00 -2.27 0.03 0.00 0.04 0.00 0.00 34.50 32.30 1m7h s PRO 171 CO -0.04 -0.32 -0.08 -0.47 0.04 0.00 0.00 177.00 176.12 1m7h s TYR 172 N -2.87 1.76 -0.57 0.56 5.04 -1.26 -4.46 117.35 115.55 1m7h s TYR 172 Ca 0.50 -1.03 -0.18 0.00 -2.44 0.00 0.00 57.07 53.93 1m7h s TYR 172 Cb -0.11 -1.36 0.11 0.00 0.35 0.00 0.00 41.96 40.96 1m7h s TYR 172 CO 0.47 -0.60 0.63 -1.21 -1.34 0.00 0.00 175.55 173.50 1m7h s GLU 173 N 1.62 3.02 0.45 4.97 2.02 0.21 -5.02 118.70 125.97 1m7h s GLU 173 Ca 0.03 -1.46 -0.25 0.00 0.02 0.00 0.00 54.97 53.31 1m7h s GLU 173 Cb -0.14 -4.28 -0.08 0.00 0.10 0.00 0.00 34.13 29.74 1m7h s GLU 173 CO -0.08 -1.46 1.37 0.00 0.02 0.00 0.00 175.26 175.11 1m7h s ALA 174 N 2.29 3.18 0.19 5.21 0.00 -1.26 -4.31 121.76 127.05 1m7h s ALA 174 Ca 0.08 1.36 -0.30 0.00 0.00 0.00 0.00 51.96 53.10 1m7h s ALA 174 Cb -0.26 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.22 1m7h s ALA 174 CO 0.05 -1.09 1.34 -1.25 0.00 0.00 0.00 175.76 174.81 1m7h s PRO 175 N -2.46 4.36 -0.01 0.00 0.04 -1.26 -4.92 135.00 130.74 1m7h s PRO 175 Ca 0.61 2.09 -0.23 0.00 0.04 0.00 0.00 61.00 63.51 1m7h s PRO 175 Cb -0.41 -3.20 -0.20 0.00 0.04 0.00 0.00 34.50 30.74 1m7h s PRO 175 CO 0.52 -0.31 1.19 0.00 0.04 0.00 0.00 177.00 178.44 1m7h h ALA 176 N 5.66 0.09 -2.24 8.56 0.00 -2.03 -3.40 119.26 125.90 1m7h h ALA 176 Ca -0.44 -0.37 -0.58 0.00 0.00 0.00 0.00 54.91 53.52 1m7h h ALA 176 Cb 1.21 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.59 1m7h h ALA 176 CO 0.79 0.01 -0.90 -1.71 0.00 0.00 0.00 179.25 177.45 1m7h n ASN 177 N -4.60 1.21 -4.83 0.00 5.15 -1.26 -5.11 115.26 105.82 1m7h n ASN 177 Ca -0.08 -2.87 -0.33 0.00 -0.60 0.00 0.00 54.58 50.71 1m7h n ASN 177 Cb 0.40 -0.64 -0.06 0.00 -0.53 0.00 0.00 39.78 38.95 1m7h n ASN 177 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1m7h s PRO 178 N -1.28 4.10 0.35 1.20 0.04 -1.26 -4.96 135.00 133.20 1m7h s PRO 178 Ca 0.35 1.02 0.04 0.00 0.04 0.00 0.00 61.00 62.44 1m7h s PRO 178 Cb 0.12 -2.18 0.69 0.00 0.04 0.00 0.00 34.50 33.16 1m7h s PRO 178 CO -0.11 -0.10 1.98 0.93 0.04 0.00 0.00 177.00 179.73 1m7h h GLU 179 N 1.56 0.79 -3.89 4.56 3.07 -1.64 -3.41 114.58 115.62 1m7h h GLU 179 Ca -0.48 -0.05 -0.38 0.00 -0.50 0.00 0.00 59.36 57.95 1m7h h GLU 179 Cb 1.18 -0.18 -0.34 0.00 -0.84 0.00 0.00 28.75 28.58 1m7h h GLU 179 CO 0.61 0.52 -0.76 0.08 -1.40 0.00 0.00 179.01 178.07 1m7h s VAL 180 N -5.71 0.37 -0.31 3.13 1.01 -0.96 -5.02 120.40 112.91 1m7h s VAL 180 Ca -0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1m7h s VAL 180 Cb 0.19 -0.42 0.06 0.00 0.00 0.00 0.00 36.38 36.20 1m7h s VAL 180 CO 0.77 0.19 0.01 -2.28 0.00 0.00 0.00 175.10 173.78 1m7h s HIS 181 N 0.94 3.33 -0.35 5.22 2.46 -1.26 -0.94 115.29 124.70 1m7h s HIS 181 Ca -0.11 -2.08 -0.11 0.00 0.47 0.00 0.00 55.06 53.22 1m7h s HIS 181 Cb -0.14 -2.25 0.00 0.00 -0.13 0.00 0.00 32.58 30.06 1m7h s HIS 181 CO -0.01 -0.84 0.21 0.08 -2.47 0.00 0.00 174.74 171.71 1m7h s VAL 182 N 1.19 4.85 -1.28 0.89 1.01 -0.01 -4.98 120.40 122.08 1m7h s VAL 182 Ca -0.03 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 1m7h s VAL 182 Cb -0.20 -3.56 0.10 0.00 0.00 0.00 0.00 36.38 32.72 1m7h s VAL 182 CO -0.03 -0.07 1.68 0.29 0.00 0.00 0.00 175.10 176.97 1m7h n LYS 183 N 5.04 3.25 -0.72 2.72 5.02 -1.26 -0.28 118.16 131.93 1m7h n LYS 183 Ca -0.13 -3.43 -0.08 0.00 -2.02 0.00 0.00 58.31 52.65 1m7h n LYS 183 Cb 0.48 -3.32 -0.12 0.00 -0.02 0.00 0.00 35.03 32.06 1m7h n LYS 183 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1m7h n ASN 184 N 7.22 4.01 -4.02 4.39 5.15 -0.11 -4.78 115.26 127.12 1m7h n ASN 184 Ca 0.45 -2.23 -0.17 0.00 -0.60 0.00 0.00 54.58 52.03 1m7h n ASN 184 Cb 0.44 -1.06 -0.14 0.00 -0.53 0.00 0.00 39.78 38.49 1m7h n ASN 184 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1m7h s TYR 185 N 1.37 0.72 -1.58 1.20 -0.85 -1.26 -4.77 117.35 112.18 1m7h s TYR 185 Ca 0.46 -0.21 -0.08 0.00 -0.52 0.00 0.00 57.07 56.71 1m7h s TYR 185 Cb 0.22 -0.45 0.07 0.00 0.38 0.00 0.00 41.96 42.18 1m7h s TYR 185 CO 0.00 -0.02 0.45 0.39 -1.52 0.00 0.00 175.55 174.85 1m7h n GLU 186 N 2.54 -2.43 -3.77 -3.49 1.02 -1.26 -4.93 120.64 108.31 1m7h n GLU 186 Ca -0.15 0.29 -0.18 0.00 -0.02 0.00 0.00 57.16 57.10 1m7h n GLU 186 Cb 0.57 -4.49 -0.17 0.00 -0.02 0.00 0.00 31.44 27.32 1m7h n GLU 186 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1m7h s LEU 187 N -7.19 0.73 0.38 -4.62 2.96 -1.26 -5.14 118.68 104.54 1m7h s LEU 187 Ca 0.31 0.03 -0.28 0.00 -0.22 0.00 0.00 54.13 53.97 1m7h s LEU 187 Cb -0.17 -0.16 -0.10 0.00 0.50 0.00 0.00 46.19 46.26 1m7h s LEU 187 CO 0.94 -0.17 1.41 -2.84 -1.32 0.00 0.00 176.35 174.37 1m7h s PRO 188 N 1.52 4.10 0.28 0.98 0.02 -1.26 -4.88 135.00 135.76 1m7h s PRO 188 Ca -0.03 2.40 0.02 0.00 0.02 0.00 0.00 61.00 63.41 1m7h s PRO 188 Cb -0.13 -2.93 0.58 0.00 0.02 0.00 0.00 34.50 32.05 1m7h s PRO 188 CO -0.03 -0.47 1.82 0.28 -0.33 0.00 0.00 177.00 178.27 1m7h h VAL 189 N 2.83 0.88 -0.85 3.83 2.07 -2.00 -1.23 116.25 121.77 1m7h h VAL 189 Ca -0.50 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 66.72 1m7h h VAL 189 Cb 1.24 -0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1m7h h VAL 189 CO 0.64 0.17 0.55 1.56 0.02 0.00 0.00 177.57 180.51 1m7h h GLN 190 N 0.94 1.06 -0.65 1.57 1.08 -2.00 -0.88 115.11 116.24 1m7h h GLN 190 Ca 0.51 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.56 1m7h h GLN 190 Cb 0.57 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 1m7h h GLN 190 CO -0.29 0.70 0.08 -0.44 -0.95 0.00 0.00 178.83 177.93 1m7h h ASP 191 N 1.09 1.05 -0.16 1.46 5.19 -1.61 -1.49 116.42 121.95 1m7h h ASP 191 Ca 0.33 -0.26 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 1m7h h ASP 191 Cb -0.04 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.19 1m7h h ASP 191 CO -0.10 1.05 0.04 0.00 -3.12 0.00 0.00 179.24 177.11 1m7h h ALA 192 N 1.06 0.21 -0.86 3.45 0.00 -0.91 -1.92 119.26 120.30 1m7h h ALA 192 Ca 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1m7h h ALA 192 Cb 0.47 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1m7h h ALA 192 CO 0.02 -0.14 0.48 0.28 0.00 0.00 0.00 179.25 179.88 1m7h h VAL 193 N 0.06 1.25 -0.57 0.00 2.07 -1.12 -1.47 116.25 116.47 1m7h h VAL 193 Ca 0.05 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1m7h h VAL 193 Cb 0.27 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1m7h h VAL 193 CO 0.00 0.28 0.32 0.50 0.02 0.00 0.00 177.57 178.69 1m7h h LYS 194 N 1.19 0.77 -0.85 1.57 3.64 -1.12 -0.41 116.57 121.36 1m7h h LYS 194 Ca 0.30 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1m7h h LYS 194 Cb 0.02 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 1m7h h LYS 194 CO -0.05 0.56 0.48 0.37 -2.27 0.00 0.00 179.45 178.54 1m7h h GLN 195 N 0.78 1.18 -0.01 1.90 4.15 -0.45 0.16 115.11 122.82 1m7h h GLN 195 Ca 0.20 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 1m7h h GLN 195 Cb 0.00 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.46 1m7h h GLN 195 CO -0.04 0.86 -0.01 0.82 -1.93 0.00 0.00 178.83 178.54 1m7h h ILE 196 N 1.19 1.36 -0.73 2.39 2.04 -0.97 -2.46 117.51 120.32 1m7h h ILE 196 Ca 0.30 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 1m7h h ILE 196 Cb 0.01 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 1m7h h ILE 196 CO -0.05 0.28 0.41 0.40 0.00 0.00 0.00 178.15 179.19 1m7h h ILE 197 N -0.43 1.22 -0.81 -0.67 2.04 -0.98 -1.49 117.51 116.39 1m7h h ILE 197 Ca 0.00 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1m7h h ILE 197 Cb 0.46 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1m7h h ILE 197 CO 0.00 0.24 0.52 0.44 0.00 0.00 0.00 178.15 179.35 1m7h h ASP 198 N 1.01 0.96 -0.96 1.72 3.32 -0.71 -1.38 116.42 120.38 1m7h h ASP 198 Ca 0.26 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1m7h h ASP 198 Cb 0.02 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.28 1m7h h ASP 198 CO -0.04 0.71 0.59 0.22 -1.72 0.00 0.00 179.24 179.00 1m7h h TYR 199 N 1.11 1.25 -0.72 4.55 3.20 -0.90 -1.54 116.97 123.92 1m7h h TYR 199 Ca 0.30 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 1m7h h TYR 199 Cb -0.09 -0.41 -0.03 0.00 1.54 0.00 0.00 36.73 37.73 1m7h h TYR 199 CO -0.01 0.83 0.38 -0.07 -1.64 0.00 0.00 178.16 177.65 1m7h h LEU 200 N 1.32 0.89 -0.39 2.82 3.38 -0.34 -2.46 115.31 120.53 1m7h h LEU 200 Ca 0.35 -0.08 -0.17 0.00 0.09 0.00 0.00 57.88 58.07 1m7h h LEU 200 Cb -0.07 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 1m7h h LEU 200 CO -0.07 0.73 -0.52 0.44 0.09 0.00 0.00 178.44 179.11 1m7h h ASP 201 N 1.00 0.86 0.01 -0.43 3.32 -0.58 -0.90 116.42 119.70 1m7h h ASP 201 Ca 0.25 -0.45 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 1m7h h ASP 201 Cb 0.04 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 1m7h h ASP 201 CO -0.04 1.22 -0.00 0.71 -1.72 0.00 0.00 179.24 179.41 1m7h h THR 202 N 0.60 0.00 -0.02 0.35 1.35 -0.84 0.34 112.91 114.70 1m7h h THR 202 Ca 0.02 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1m7h h THR 202 Cb 1.11 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1m7h h THR 202 CO 0.11 0.00 -0.35 0.29 -0.25 0.00 0.00 175.52 175.33 1m7h n LYS 203 N -3.08 1.51 -2.05 4.72 4.76 -1.00 -4.96 118.16 118.05 1m7h n LYS 203 Ca -0.03 -1.22 -0.13 0.00 -2.87 0.00 0.00 58.31 54.06 1m7h n LYS 203 Cb 0.07 -1.46 -0.02 0.00 -1.84 0.00 0.00 35.03 31.79 1m7h n LYS 203 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1m7h n GLY 204 N 1.38 0.17 0.22 0.72 0.00 0.12 -4.92 105.19 102.88 1m7h n GLY 204 Ca 0.10 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.85 1m7h n GLY 204 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1m7h h TYR 205 N 0.00 0.00 -2.72 1.61 0.05 -1.41 -3.46 116.97 111.04 1m7h h TYR 205 Ca -0.29 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 57.91 1m7h h TYR 205 Cb 1.13 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.79 1m7h h TYR 205 CO 0.34 0.17 -0.60 -0.51 -1.05 0.00 0.00 178.16 176.51 1m7h s LEU 206 N -6.43 3.62 1.06 3.88 1.43 -1.26 -4.30 118.68 116.67 1m7h s LEU 206 Ca 0.03 -0.24 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 1m7h s LEU 206 Cb 0.08 -2.23 0.22 0.00 0.03 0.00 0.00 46.19 44.28 1m7h s LEU 206 CO 0.65 0.07 1.13 -2.16 0.23 0.00 0.00 176.35 176.27 1m7h s PRO 207 N -3.10 -0.05 0.45 1.29 0.04 -1.26 -4.93 135.00 127.45 1m7h s PRO 207 Ca 0.30 0.16 -0.24 0.00 0.04 0.00 0.00 61.00 61.25 1m7h s PRO 207 Cb -0.10 -1.71 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 1m7h s PRO 207 CO 0.22 -2.97 1.17 0.00 0.04 0.00 0.00 177.00 175.46 1m7h n ALA 208 N -4.28 0.89 -1.75 8.56 0.00 -1.26 -4.93 120.51 117.73 1m7h n ALA 208 Ca 0.09 0.21 -0.38 0.00 0.00 0.00 0.00 53.44 53.36 1m7h n ALA 208 Cb 0.59 -2.21 0.04 0.00 0.00 0.00 0.00 19.45 17.87 1m7h n ALA 208 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1m7h s LYS 209 N -2.28 3.17 0.28 0.00 1.02 -1.26 -4.95 119.74 115.72 1m7h s LYS 209 Ca 0.64 2.18 -0.29 0.00 0.02 0.00 0.00 55.97 58.52 1m7h s LYS 209 Cb -0.50 -2.25 -0.09 0.00 -0.52 0.00 0.00 37.83 34.46 1m7h s LYS 209 CO 0.56 -1.15 1.14 0.15 -0.92 0.00 0.00 175.35 175.13 1m7h s LYS 210 N -2.91 4.58 0.00 1.68 3.01 -1.26 -5.16 119.74 119.68 1m7h s LYS 210 Ca 0.71 1.87 0.29 0.00 -1.01 0.00 0.00 55.97 57.84 1m7h s LYS 210 Cb -0.39 -3.18 1.31 0.00 -1.01 0.00 0.00 37.83 34.56 1m7h s LYS 210 CO 0.46 0.12 1.89 0.39 0.51 0.00 0.00 175.35 178.72