#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b0f h PRO 2 N 0.00 -0.01 0.09 1.61 0.11 -2.02 0.32 132.00 132.10 2b0f h PRO 2 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 2b0f h PRO 2 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2b0f h PRO 2 CO 0.00 -0.00 -0.04 -0.97 -0.21 0.00 0.00 178.00 176.77 2b0f h ASN 3 N -0.01 -0.10 0.13 -2.05 -1.24 -1.93 -0.34 115.58 110.04 2b0f h ASN 3 Ca 0.38 -0.09 0.01 0.00 0.71 0.00 0.00 56.30 57.31 2b0f h ASN 3 Cb 0.59 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.64 2b0f h ASN 3 CO -0.83 0.03 -0.20 0.74 -1.29 0.00 0.00 177.43 175.88 2b0f h THR 4 N -0.23 0.56 0.00 -3.57 2.02 -1.56 -0.73 112.91 109.41 2b0f h THR 4 Ca -0.01 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 2b0f h THR 4 Cb 0.19 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2b0f h THR 4 CO 0.02 0.00 -0.39 -0.33 0.37 0.00 0.00 175.52 175.19 2b0f h GLU 5 N -0.39 0.00 -0.25 6.66 3.07 -0.46 -1.81 114.58 121.40 2b0f h GLU 5 Ca 0.02 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 2b0f h GLU 5 Cb 0.40 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2b0f h GLU 5 CO -0.09 0.39 -0.02 0.35 -1.40 0.00 0.00 179.01 178.24 2b0f h PHE 6 N 0.00 0.51 -0.55 4.33 3.57 -0.73 0.11 116.94 124.18 2b0f h PHE 6 Ca -0.00 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.45 2b0f h PHE 6 Cb 0.86 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.43 2b0f h PHE 6 CO 0.00 0.64 0.28 0.00 -2.23 0.00 0.00 178.31 177.00 2b0f h ALA 7 N 0.80 0.71 -0.78 2.41 0.00 -0.94 0.28 119.26 121.75 2b0f h ALA 7 Ca 0.07 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2b0f h ALA 7 Cb 0.45 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2b0f h ALA 7 CO 0.02 -0.07 0.51 1.25 0.00 0.00 0.00 179.25 180.96 2b0f h LEU 8 N 0.53 0.88 -0.57 0.00 6.46 -1.08 0.01 115.31 121.54 2b0f h LEU 8 Ca 0.25 -0.02 -0.15 0.00 -0.12 0.00 0.00 57.88 57.84 2b0f h LEU 8 Cb 0.16 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 2b0f h LEU 8 CO -0.17 0.63 -0.47 0.28 -0.62 0.00 0.00 178.44 178.09 2b0f h SER 9 N 1.04 0.65 -0.09 1.25 0.02 0.01 -3.17 113.55 113.25 2b0f h SER 9 Ca 0.29 -0.32 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2b0f h SER 9 Cb -0.10 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.26 2b0f h SER 9 CO -0.07 1.02 -0.11 0.25 -1.14 0.00 0.00 176.83 176.78 2b0f h LEU 10 N 0.48 0.26 -1.90 5.07 5.85 -0.05 -3.29 115.31 121.74 2b0f h LEU 10 Ca 0.03 -0.51 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 2b0f h LEU 10 Cb 1.00 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 2b0f h LEU 10 CO 0.09 0.71 -0.12 0.17 -0.34 0.00 0.00 178.44 178.96 2b0f h LEU 11 N -0.19 0.00 0.00 2.25 8.10 -1.06 -0.43 115.31 123.99 2b0f h LEU 11 Ca 0.01 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.00 2b0f h LEU 11 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.87 2b0f h LEU 11 CO 0.03 0.12 -0.00 0.03 -4.11 0.00 0.00 178.44 174.51 2b0f h ARG 12 N 0.00 -0.00 0.00 0.17 3.08 -1.61 -2.95 114.38 113.06 2b0f h ARG 12 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 2b0f h ARG 12 Cb 0.33 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2b0f h ARG 12 CO 0.02 0.49 -2.14 1.63 -1.07 0.00 0.00 179.97 178.90 2b0f n LYS 13 N -4.85 0.69 0.00 0.04 5.02 -1.21 -4.53 118.16 113.31 2b0f n LYS 13 Ca -0.09 -0.12 0.06 0.00 -2.02 0.00 0.00 58.31 56.15 2b0f n LYS 13 Cb 0.26 -1.51 -0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2b0f n LYS 13 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2b0f n ASN 14 N -2.44 1.43 -4.23 4.39 4.13 -0.18 -4.67 115.26 113.70 2b0f n ASN 14 Ca -0.15 -1.22 -0.35 0.00 1.68 0.00 0.00 54.58 54.55 2b0f n ASN 14 Cb 0.80 0.45 -0.14 0.00 -1.54 0.00 0.00 39.78 39.35 2b0f n ASN 14 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2b0f s ILE 15 N -1.60 2.96 -0.04 2.41 -1.09 -1.11 -0.32 121.20 122.40 2b0f s ILE 15 Ca 0.11 -0.85 0.07 0.00 -2.23 0.00 0.00 60.65 57.74 2b0f s ILE 15 Cb 0.10 -2.43 -0.01 0.00 -1.58 0.00 0.00 42.46 38.54 2b0f s ILE 15 CO 0.32 0.30 -0.24 -0.04 -1.23 0.00 0.00 174.94 174.04 2b0f s MET 16 N 1.37 2.27 -0.61 2.79 -1.94 -0.55 -4.69 119.30 117.94 2b0f s MET 16 Ca 0.02 -0.88 -0.27 0.00 -1.71 0.00 0.00 55.69 52.85 2b0f s MET 16 Cb -0.16 -2.03 0.01 0.00 2.01 0.00 0.00 34.83 34.67 2b0f s MET 16 CO -0.05 0.44 1.42 0.99 -0.01 0.00 0.00 175.02 177.81 2b0f s THR 17 N -0.33 3.73 -0.58 2.05 2.01 -1.26 -0.27 115.64 120.99 2b0f s THR 17 Ca 0.02 0.56 -0.22 0.00 0.31 0.00 0.00 61.69 62.37 2b0f s THR 17 Cb -0.12 -4.52 0.06 0.00 0.01 0.00 0.00 72.50 67.94 2b0f s THR 17 CO 0.02 -1.32 0.84 -0.63 -0.69 0.00 0.00 174.62 172.83 2b0f s ILE 18 N 6.26 4.54 -0.63 1.82 1.01 0.72 -0.17 121.20 134.76 2b0f s ILE 18 Ca 0.49 -0.30 -0.27 0.00 0.00 0.00 0.00 60.65 60.57 2b0f s ILE 18 Cb -0.10 -4.53 -0.01 0.00 0.01 0.00 0.00 42.46 37.83 2b0f s ILE 18 CO 0.22 -1.16 1.79 -0.89 0.00 0.00 0.00 174.94 174.89 2b0f s THR 19 N 3.50 3.40 0.51 2.92 2.01 0.68 -1.16 115.64 127.50 2b0f s THR 19 Ca 0.21 0.23 0.07 0.00 0.31 0.00 0.00 61.69 62.51 2b0f s THR 19 Cb -0.17 -4.07 0.03 0.00 0.01 0.00 0.00 72.50 68.30 2b0f s THR 19 CO 0.13 -1.03 0.45 -0.89 -0.69 0.00 0.00 174.62 172.58 2b0f s THR 20 N 8.65 2.06 0.17 -0.82 2.01 0.15 -2.25 115.64 125.62 2b0f s THR 20 Ca 0.63 -1.37 -0.14 0.00 0.31 0.00 0.00 61.69 61.12 2b0f s THR 20 Cb -0.12 -2.43 0.07 0.00 0.01 0.00 0.00 72.50 70.03 2b0f s THR 20 CO 0.20 0.00 1.74 0.28 -0.69 0.00 0.00 174.62 176.15 2b0f h SER 21 N 0.76 0.09 -0.09 3.53 0.02 -1.67 -2.48 113.55 113.71 2b0f h SER 21 Ca -0.37 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2b0f h SER 21 Cb 1.29 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.90 2b0f h SER 21 CO 0.55 0.08 0.00 0.29 -1.14 0.00 0.00 176.83 176.61 2b0f n LYS 22 N -5.05 1.70 -1.74 3.45 4.76 -0.92 -5.01 118.16 115.34 2b0f n LYS 22 Ca 0.04 -1.03 0.00 0.00 -2.87 0.00 0.00 58.31 54.45 2b0f n LYS 22 Cb 0.19 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 2b0f n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b0f n GLY 23 N 1.15 -0.44 3.46 0.72 0.00 -0.93 -5.06 105.19 104.09 2b0f n GLY 23 Ca 0.18 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 2b0f n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b0f s GLU 24 N -1.66 3.17 0.30 1.61 2.02 -1.26 0.32 118.70 123.19 2b0f s GLU 24 Ca 0.00 -0.87 0.07 0.00 0.02 0.00 0.00 54.97 54.20 2b0f s GLU 24 Cb 0.00 -3.82 -0.03 0.00 0.10 0.00 0.00 34.13 30.38 2b0f s GLU 24 CO 0.00 -0.59 0.22 -0.06 0.02 0.00 0.00 175.26 174.85 2b0f s PHE 25 N 1.66 2.96 -0.56 1.61 0.40 -0.31 -2.07 117.98 121.68 2b0f s PHE 25 Ca 0.05 -0.22 -0.28 0.00 -0.60 0.00 0.00 56.93 55.88 2b0f s PHE 25 Cb -0.18 -1.58 0.03 0.00 0.51 0.00 0.00 43.02 41.80 2b0f s PHE 25 CO 0.09 0.37 1.15 0.99 0.70 0.00 0.00 175.22 178.52 2b0f s THR 26 N -2.24 4.09 -0.32 0.64 2.01 -1.26 -0.20 115.64 118.35 2b0f s THR 26 Ca 0.37 0.89 -0.20 0.00 0.31 0.00 0.00 61.69 63.06 2b0f s THR 26 Cb -0.06 -4.69 -0.01 0.00 0.01 0.00 0.00 72.50 67.75 2b0f s THR 26 CO 0.25 -1.26 0.60 -0.83 -0.69 0.00 0.00 174.62 172.69 2b0f s GLY 27 N 2.86 1.78 -0.45 4.40 0.00 0.63 -4.77 107.32 111.78 2b0f s GLY 27 Ca 0.42 -0.76 -0.19 0.00 0.00 0.00 0.00 44.72 44.19 2b0f s GLY 27 CO 0.26 1.41 0.55 -2.27 0.00 0.00 0.00 173.10 173.05 2b0f s LEU 28 N 2.57 4.76 -0.45 0.66 2.96 -1.16 -1.48 118.68 126.55 2b0f s LEU 28 Ca 0.23 -0.61 -0.28 0.00 -0.22 0.00 0.00 54.13 53.25 2b0f s LEU 28 Cb -0.15 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 44.02 2b0f s LEU 28 CO 0.13 -0.72 1.51 -0.83 -1.32 0.00 0.00 176.35 175.11 2b0f s GLY 29 N 2.08 0.93 -0.07 7.98 0.00 0.56 -1.13 107.32 117.67 2b0f s GLY 29 Ca 0.16 -0.25 -0.16 0.00 0.00 0.00 0.00 44.72 44.47 2b0f s GLY 29 CO 0.15 2.91 0.62 -2.22 0.00 0.00 0.00 173.10 174.55 2b0f h ILE 30 N 6.53 0.66 -1.85 0.90 1.08 -0.58 -3.41 117.51 120.85 2b0f h ILE 30 Ca -0.28 -1.20 0.00 0.00 -0.39 0.00 0.00 64.86 62.99 2b0f h ILE 30 Cb 1.12 1.17 -0.23 0.00 -3.07 0.00 0.00 36.82 35.81 2b0f h ILE 30 CO 1.11 0.19 0.24 -1.38 -0.69 0.00 0.00 178.15 177.62 2b0f s HIS 31 N -2.79 -0.70 0.00 1.37 -3.43 -1.04 -0.56 115.29 108.13 2b0f s HIS 31 Ca -0.10 1.66 0.00 0.00 -0.80 0.00 0.00 55.06 55.82 2b0f s HIS 31 Cb -0.00 0.33 0.00 0.00 -1.43 0.00 0.00 32.58 31.48 2b0f s HIS 31 CO 0.36 -0.34 0.00 -3.47 -2.00 0.00 0.00 174.74 169.29 2b0f n ASP 32 N 2.69 0.00 0.00 7.38 -0.08 -0.74 -0.15 116.55 125.64 2b0f n ASP 32 Ca -0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 2b0f n ASP 32 Cb 0.56 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.02 2b0f n ASP 32 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2b0f n ARG 33 N 0.00 1.71 -3.18 -0.67 1.74 -1.26 0.77 116.66 115.77 2b0f n ARG 33 Ca 0.00 -1.08 -0.42 0.00 -0.77 0.00 0.00 57.85 55.58 2b0f n ARG 33 Cb 0.00 -0.84 -0.07 0.00 -1.02 0.00 0.00 32.46 30.52 2b0f n ARG 33 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2b0f s VAL 34 N -0.60 4.94 0.02 1.55 1.01 0.78 -1.45 120.40 126.65 2b0f s VAL 34 Ca 0.00 0.29 0.07 0.00 0.00 0.00 0.00 61.98 62.34 2b0f s VAL 34 Cb 0.00 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2b0f s VAL 34 CO 0.00 -0.36 -0.21 0.00 0.00 0.00 0.00 175.10 174.53 2b0f s VAL 36 N -0.67 5.31 -0.07 0.00 -7.23 -0.28 -0.70 120.40 116.76 2b0f s VAL 36 Ca 0.08 0.48 -0.06 0.00 -1.81 0.00 0.00 61.98 60.66 2b0f s VAL 36 Cb -0.09 -3.55 0.02 0.00 0.56 0.00 0.00 36.38 33.32 2b0f s VAL 36 CO 0.01 0.54 0.18 -0.51 -0.31 0.00 0.00 175.10 175.01 2b0f s ILE 37 N -0.61 -0.00 0.45 -0.62 2.07 -1.00 -2.98 121.20 118.51 2b0f s ILE 37 Ca 0.17 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.18 2b0f s ILE 37 Cb -0.14 -0.26 -0.09 0.00 0.13 0.00 0.00 42.46 42.11 2b0f s ILE 37 CO 0.06 0.00 1.14 -2.65 -1.91 0.00 0.00 174.94 171.58 2b0f n PRO 38 N 2.99 1.56 -0.16 3.50 -0.02 -1.26 -0.51 135.00 141.10 2b0f n PRO 38 Ca -0.13 0.56 -0.04 0.00 -2.02 0.00 0.00 63.50 61.88 2b0f n PRO 38 Cb 0.59 -2.24 0.16 0.00 -0.02 0.00 0.00 33.50 31.99 2b0f n PRO 38 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2b0f h THR 39 N 1.64 1.23 0.00 3.45 2.02 -1.41 -2.27 112.91 117.57 2b0f h THR 39 Ca -0.47 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 65.86 2b0f h THR 39 Cb 1.32 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2b0f h THR 39 CO 0.57 0.32 0.00 0.00 0.37 0.00 0.00 175.52 176.78 2b0f n HIS 40 N -4.27 0.00 0.23 3.16 -0.00 -1.26 -2.39 115.22 110.69 2b0f n HIS 40 Ca 0.04 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.88 2b0f n HIS 40 Cb 0.23 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.32 2b0f n HIS 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2b0f h ALA 41 N 2.60 0.69 -4.78 1.59 0.00 -1.77 -3.45 119.26 114.13 2b0f h ALA 41 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2b0f h ALA 41 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2b0f h ALA 41 CO 0.00 0.00 -0.03 1.04 0.00 0.00 0.00 179.25 180.26 2b0f n GLN 42 N -2.72 -1.03 -2.14 0.00 6.02 -1.00 -2.17 117.38 114.34 2b0f n GLN 42 Ca 0.02 1.22 -0.43 0.00 -0.01 0.00 0.00 57.00 57.80 2b0f n GLN 42 Cb 0.52 -4.71 -0.02 0.00 1.02 0.00 0.00 30.24 27.05 2b0f n GLN 42 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2b0f s PRO 43 N -3.05 3.48 0.00 -1.09 0.04 -1.26 -3.90 135.00 129.21 2b0f s PRO 43 Ca 0.02 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2b0f s PRO 43 Cb -0.00 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2b0f s PRO 43 CO 0.56 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 176.33 2b0f n GLY 44 N 5.22 0.25 0.09 0.56 0.00 -1.26 -4.97 105.19 105.07 2b0f n GLY 44 Ca 0.20 -1.29 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 2b0f n GLY 44 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2b0f n ASP 45 N 0.00 0.53 -3.86 1.61 2.03 -1.26 -4.82 116.55 110.77 2b0f n ASP 45 Ca 0.00 0.24 -0.17 0.00 0.52 0.00 0.00 54.79 55.38 2b0f n ASP 45 Cb 0.00 0.47 -0.16 0.00 -0.72 0.00 0.00 41.12 40.71 2b0f n ASP 45 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2b0f s ASP 46 N -5.72 0.53 0.12 1.67 2.15 -1.26 -1.09 116.67 113.07 2b0f s ASP 46 Ca -0.06 -0.06 0.07 0.00 0.43 0.00 0.00 52.55 52.93 2b0f s ASP 46 Cb 0.08 -0.23 -0.04 0.00 -0.30 0.00 0.00 42.92 42.44 2b0f s ASP 46 CO 0.83 -0.05 -0.16 0.68 -0.17 0.00 0.00 175.17 176.29 2b0f s VAL 47 N 0.71 1.48 -0.51 1.11 -7.23 -0.38 -4.93 120.40 110.65 2b0f s VAL 47 Ca -0.08 -1.66 -0.17 0.00 -1.81 0.00 0.00 61.98 58.26 2b0f s VAL 47 Cb -0.11 -1.53 0.08 0.00 0.56 0.00 0.00 36.38 35.38 2b0f s VAL 47 CO -0.01 -0.30 0.54 -0.76 -0.31 0.00 0.00 175.10 174.27 2b0f s LEU 48 N -2.28 5.40 -0.83 1.32 1.02 -0.95 0.07 118.68 122.42 2b0f s LEU 48 Ca 0.08 -1.23 -0.24 0.00 0.02 0.00 0.00 54.13 52.76 2b0f s LEU 48 Cb -0.07 -2.30 0.05 0.00 0.02 0.00 0.00 46.19 43.89 2b0f s LEU 48 CO 0.04 -0.83 1.27 0.54 0.02 0.00 0.00 176.35 177.39 2b0f s VAL 49 N 2.17 3.96 -0.08 -1.59 0.11 0.12 -0.23 120.40 124.86 2b0f s VAL 49 Ca 0.09 -0.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 2b0f s VAL 49 Cb -0.23 -4.92 0.00 0.00 -1.53 0.00 0.00 36.38 29.70 2b0f s VAL 49 CO 0.08 -1.79 0.00 -3.20 -3.33 0.00 0.00 175.10 166.86 2b0f n ASN 50 N 8.74 -5.03 0.00 3.54 4.05 0.77 -2.30 115.26 125.02 2b0f n ASN 50 Ca 0.13 0.02 0.00 0.00 0.45 0.00 0.00 54.58 55.18 2b0f n ASN 50 Cb 0.49 -2.60 0.00 0.00 1.23 0.00 0.00 39.78 38.90 2b0f n ASN 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2b0f n GLY 51 N -0.32 1.02 3.65 8.20 0.00 -1.24 -5.06 105.19 111.44 2b0f n GLY 51 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2b0f n GLY 51 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2b0f s GLN 52 N 0.00 4.16 -0.44 1.61 0.74 -0.97 -4.88 119.66 119.87 2b0f s GLN 52 Ca 0.00 1.30 -0.28 0.00 0.05 0.00 0.00 55.36 56.43 2b0f s GLN 52 Cb 0.00 -3.71 -0.00 0.00 1.10 0.00 0.00 33.01 30.40 2b0f s GLN 52 CO 0.00 -0.78 1.58 0.15 -0.55 0.00 0.00 175.29 175.70 2b0f s LYS 53 N 3.48 3.33 -0.13 1.67 1.02 -1.26 0.14 119.74 127.99 2b0f s LYS 53 Ca 0.47 0.95 0.03 0.00 0.02 0.00 0.00 55.97 57.43 2b0f s LYS 53 Cb -0.15 -4.14 0.01 0.00 -0.52 0.00 0.00 37.83 33.02 2b0f s LYS 53 CO 0.12 -1.87 -0.21 0.42 -0.92 0.00 0.00 175.35 172.89 2b0f s ILE 54 N 6.43 2.16 0.38 2.17 1.01 0.11 -4.93 121.20 128.53 2b0f s ILE 54 Ca 0.66 -0.96 -0.24 0.00 0.00 0.00 0.00 60.65 60.11 2b0f s ILE 54 Cb -0.16 -1.86 -0.10 0.00 0.01 0.00 0.00 42.46 40.36 2b0f s ILE 54 CO 0.30 0.55 1.00 0.00 0.00 0.00 0.00 174.94 176.79 2b0f s ARG 55 N 0.69 4.30 0.19 2.79 1.70 -1.26 -1.25 118.95 126.11 2b0f s ARG 55 Ca -0.10 1.38 -0.29 0.00 -0.47 0.00 0.00 55.73 56.26 2b0f s ARG 55 Cb -0.16 -2.56 -0.08 0.00 -0.57 0.00 0.00 34.95 31.58 2b0f s ARG 55 CO 0.01 0.01 0.89 0.54 -1.08 0.00 0.00 175.30 175.67 2b0f s VAL 56 N -1.74 4.26 -0.11 4.99 0.11 -0.25 -2.93 120.40 124.73 2b0f s VAL 56 Ca 0.56 1.97 -0.20 0.00 -2.93 0.00 0.00 61.98 61.38 2b0f s VAL 56 Cb -0.19 -4.27 -0.27 0.00 -1.53 0.00 0.00 36.38 30.13 2b0f s VAL 56 CO 0.24 0.46 0.61 0.11 -3.33 0.00 0.00 175.10 173.19 2b0f h LYS 57 N 4.55 0.19 -2.02 1.54 1.79 -0.99 -3.47 116.57 118.16 2b0f h LYS 57 Ca -0.45 -0.32 -0.05 0.00 -2.18 0.00 0.00 60.65 57.64 2b0f h LYS 57 Cb 1.20 0.12 -0.20 0.00 -1.58 0.00 0.00 32.23 31.77 2b0f h LYS 57 CO 0.68 1.16 0.15 0.34 -1.08 0.00 0.00 179.45 180.70 2b0f s ASP 58 N -6.89 -0.70 -0.15 0.86 2.15 -0.95 -5.04 116.67 105.95 2b0f s ASP 58 Ca -0.20 1.11 -0.03 0.00 0.43 0.00 0.00 52.55 53.86 2b0f s ASP 58 Cb 0.03 1.04 0.05 0.00 -0.30 0.00 0.00 42.92 43.74 2b0f s ASP 58 CO 0.75 -0.41 0.05 -1.59 -0.17 0.00 0.00 175.17 173.79 2b0f s LYS 59 N -0.33 0.42 -0.14 4.34 -2.85 -1.26 -0.19 119.74 119.74 2b0f s LYS 59 Ca -0.05 -0.17 -0.01 0.00 -1.00 0.00 0.00 55.97 54.74 2b0f s LYS 59 Cb -0.03 -1.70 -0.02 0.00 -2.06 0.00 0.00 37.83 34.03 2b0f s LYS 59 CO 0.05 -0.56 -0.11 -0.47 0.10 0.00 0.00 175.35 174.36 2b0f s TYR 60 N 1.98 2.86 -0.46 1.78 5.04 -0.49 -4.91 117.35 123.15 2b0f s TYR 60 Ca 0.01 -0.59 -0.29 0.00 -2.44 0.00 0.00 57.07 53.76 2b0f s TYR 60 Cb -0.15 -1.88 0.03 0.00 0.35 0.00 0.00 41.96 40.30 2b0f s TYR 60 CO -0.07 -0.20 1.11 0.15 -1.34 0.00 0.00 175.55 175.20 2b0f s LYS 61 N 0.42 3.75 -0.35 4.97 3.01 -1.26 0.10 119.74 130.38 2b0f s LYS 61 Ca -0.08 0.59 -0.28 0.00 -1.01 0.00 0.00 55.97 55.18 2b0f s LYS 61 Cb -0.15 -3.89 0.02 0.00 -1.01 0.00 0.00 37.83 32.79 2b0f s LYS 61 CO 0.04 -1.32 1.04 -1.17 0.51 0.00 0.00 175.35 174.46 2b0f s LEU 62 N 4.31 3.91 0.38 3.17 2.96 0.39 -4.95 118.68 128.86 2b0f s LEU 62 Ca 0.47 0.85 0.08 0.00 -0.22 0.00 0.00 54.13 55.31 2b0f s LEU 62 Cb -0.08 -3.46 -0.06 0.00 0.50 0.00 0.00 46.19 43.09 2b0f s LEU 62 CO 0.30 -0.92 0.03 0.68 -1.32 0.00 0.00 176.35 175.12 2b0f s VAL 63 N 3.70 2.27 0.18 1.68 -7.23 -1.26 -2.70 120.40 117.03 2b0f s VAL 63 Ca 0.44 -1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.46 2b0f s VAL 63 Cb -0.11 -2.89 -0.08 0.00 0.56 0.00 0.00 36.38 33.86 2b0f s VAL 63 CO 0.18 -0.09 0.67 -0.62 -0.31 0.00 0.00 175.10 174.94 2b0f s ASP 64 N -3.74 7.05 0.47 4.85 2.15 0.22 -4.76 116.67 122.90 2b0f s ASP 64 Ca 0.36 1.35 0.20 0.00 0.43 0.00 0.00 52.55 54.89 2b0f s ASP 64 Cb 0.05 -2.39 1.09 0.00 -0.30 0.00 0.00 42.92 41.36 2b0f s ASP 64 CO 0.19 0.11 1.56 1.55 -0.17 0.00 0.00 175.17 178.41 2b0f h PRO 65 N 3.74 0.00 0.00 4.34 0.13 -2.01 0.61 132.00 138.80 2b0f h PRO 65 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2b0f h PRO 65 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2b0f h PRO 65 CO 0.65 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.51 2b0f n GLU 66 N -2.41 0.99 -3.17 0.86 2.13 -1.26 -4.84 120.64 112.95 2b0f n GLU 66 Ca -0.01 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.66 2b0f n GLU 66 Cb 0.35 -1.14 0.05 0.00 0.27 0.00 0.00 31.44 30.96 2b0f n GLU 66 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2b0f n ASN 67 N -0.64 -4.68 -4.36 4.31 5.15 0.21 -5.04 115.26 110.22 2b0f n ASN 67 Ca 0.07 -0.33 -0.27 0.00 -0.60 0.00 0.00 54.58 53.45 2b0f n ASN 67 Cb 0.03 -3.26 -0.13 0.00 -0.53 0.00 0.00 39.78 35.90 2b0f n ASN 67 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2b0f s ILE 68 N -3.19 2.06 0.29 -1.44 1.01 -1.10 -4.96 121.20 113.86 2b0f s ILE 68 Ca 0.36 -1.72 -0.29 0.00 0.00 0.00 0.00 60.65 59.00 2b0f s ILE 68 Cb -0.16 -1.85 -0.10 0.00 0.01 0.00 0.00 42.46 40.36 2b0f s ILE 68 CO 0.44 0.00 1.36 0.21 0.00 0.00 0.00 174.94 176.96 2b0f s ASN 69 N -2.09 6.73 -0.13 3.58 2.47 -1.09 0.69 114.94 125.09 2b0f s ASN 69 Ca 0.12 2.66 0.14 0.00 0.42 0.00 0.00 52.86 56.20 2b0f s ASN 69 Cb -0.10 -2.64 -0.19 0.00 -1.45 0.00 0.00 41.25 36.88 2b0f s ASN 69 CO 0.06 -0.61 0.10 0.18 -3.72 0.00 0.00 177.10 173.11 2b0f n LEU 70 N 1.60 0.00 0.00 3.21 4.77 -1.15 -1.23 117.00 124.20 2b0f n LEU 70 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2b0f n LEU 70 Cb 0.41 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 2b0f n LEU 70 CO 0.60 0.31 0.00 1.21 -1.33 0.00 0.00 177.39 178.17 2b0f n GLU 71 N -2.47 0.00 -3.55 3.23 4.07 -1.10 -4.91 120.64 115.92 2b0f n GLU 71 Ca -0.21 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.52 2b0f n GLU 71 Cb 0.89 -2.85 -0.07 0.00 -0.06 0.00 0.00 31.44 29.36 2b0f n GLU 71 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2b0f s LEU 72 N 0.00 4.31 -0.30 4.31 2.01 -1.19 -1.06 118.68 126.76 2b0f s LEU 72 Ca 0.00 0.63 -0.09 0.00 0.01 0.00 0.00 54.13 54.69 2b0f s LEU 72 Cb 0.00 -2.42 -0.00 0.00 0.01 0.00 0.00 46.19 43.78 2b0f s LEU 72 CO 0.00 0.17 0.13 -0.89 1.01 0.00 0.00 176.35 176.77 2b0f s THR 73 N -0.03 4.40 -0.76 5.49 2.01 0.33 0.15 115.64 127.22 2b0f s THR 73 Ca 0.19 -0.49 -0.26 0.00 0.31 0.00 0.00 61.69 61.44 2b0f s THR 73 Cb -0.14 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.13 2b0f s THR 73 CO 0.07 0.08 1.63 -0.69 -0.69 0.00 0.00 174.62 175.01 2b0f s VAL 74 N 1.58 3.57 -0.55 3.82 1.01 0.29 -2.36 120.40 127.76 2b0f s VAL 74 Ca 0.04 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 2b0f s VAL 74 Cb -0.17 -4.44 0.07 0.00 0.00 0.00 0.00 36.38 31.85 2b0f s VAL 74 CO 0.05 -1.38 0.70 -0.22 0.00 0.00 0.00 175.10 174.25 2b0f s LEU 75 N 7.56 4.97 -0.59 3.92 2.96 0.13 -1.40 118.68 136.23 2b0f s LEU 75 Ca 0.54 -1.02 -0.19 0.00 -0.22 0.00 0.00 54.13 53.24 2b0f s LEU 75 Cb -0.08 -2.43 0.10 0.00 0.50 0.00 0.00 46.19 44.27 2b0f s LEU 75 CO 0.11 -1.02 0.71 -0.89 -1.32 0.00 0.00 176.35 173.93 2b0f s THR 76 N 2.86 4.80 0.31 3.68 2.01 0.74 -1.00 115.64 129.04 2b0f s THR 76 Ca 0.16 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.20 2b0f s THR 76 Cb -0.20 -4.48 -0.04 0.00 0.01 0.00 0.00 72.50 67.79 2b0f s THR 76 CO 0.11 -1.11 0.54 -0.76 -0.69 0.00 0.00 174.62 172.71 2b0f s LEU 77 N 2.74 4.04 -0.62 4.42 1.43 -0.53 -0.35 118.68 129.81 2b0f s LEU 77 Ca 0.12 0.60 -0.25 0.00 -1.03 0.00 0.00 54.13 53.57 2b0f s LEU 77 Cb -0.23 -3.44 0.04 0.00 0.03 0.00 0.00 46.19 42.59 2b0f s LEU 77 CO 0.07 -0.23 1.08 -0.62 0.23 0.00 0.00 176.35 176.87 2b0f s ASP 78 N -3.49 6.29 0.02 2.29 2.15 -1.15 -4.75 116.67 118.03 2b0f s ASP 78 Ca 0.42 -0.39 0.04 0.00 0.43 0.00 0.00 52.55 53.06 2b0f s ASP 78 Cb -0.10 -2.49 -0.02 0.00 -0.30 0.00 0.00 42.92 40.01 2b0f s ASP 78 CO 0.33 -1.46 -0.14 -0.60 -0.17 0.00 0.00 175.17 173.13 2b0f s ARG 79 N 4.58 1.00 -0.14 4.34 6.06 -1.26 -4.81 118.95 128.72 2b0f s ARG 79 Ca 0.33 -0.63 -0.08 0.00 -2.50 0.00 0.00 55.73 52.85 2b0f s ARG 79 Cb -0.11 -0.99 -0.04 0.00 0.06 0.00 0.00 34.95 33.87 2b0f s ARG 79 CO 0.18 0.26 -0.08 -0.97 -2.50 0.00 0.00 175.30 172.19 2b0f h ASN 80 N 5.34 0.00 -1.14 -2.12 -1.24 -1.98 -3.40 115.58 111.03 2b0f h ASN 80 Ca -0.36 -0.06 -0.56 0.00 0.71 0.00 0.00 56.30 56.03 2b0f h ASN 80 Cb 1.17 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 40.13 2b0f h ASN 80 CO 0.46 0.75 1.39 -1.61 -1.29 0.00 0.00 177.43 177.13 2b0f s GLU 81 N -2.08 3.44 0.89 6.67 2.02 -1.26 -4.97 118.70 123.42 2b0f s GLU 81 Ca -0.12 -0.96 -0.11 0.00 0.02 0.00 0.00 54.97 53.79 2b0f s GLU 81 Cb 0.02 -5.25 0.13 0.00 0.10 0.00 0.00 34.13 29.12 2b0f s GLU 81 CO 0.20 -2.34 1.09 -1.59 0.02 0.00 0.00 175.26 172.64 2b0f s LYS 82 N 5.27 1.29 0.36 1.61 -2.85 -1.26 -4.99 119.74 119.16 2b0f s LYS 82 Ca 0.48 0.98 -0.25 0.00 -1.00 0.00 0.00 55.97 56.19 2b0f s LYS 82 Cb -0.01 -1.80 -0.10 0.00 -2.06 0.00 0.00 37.83 33.86 2b0f s LYS 82 CO -0.07 -2.26 0.96 -0.06 0.10 0.00 0.00 175.35 174.02 2b0f s PHE 83 N -2.86 3.54 0.20 1.78 0.08 0.23 -4.90 117.98 116.04 2b0f s PHE 83 Ca 0.64 1.72 -0.31 0.00 0.12 0.00 0.00 56.93 59.09 2b0f s PHE 83 Cb -0.19 -2.94 -0.11 0.00 -0.57 0.00 0.00 43.02 39.21 2b0f s PHE 83 CO 0.57 0.00 1.62 0.50 -0.10 0.00 0.00 175.22 177.82 2b0f s ARG 84 N -2.38 4.17 -1.17 0.44 3.52 -1.26 -1.79 118.95 120.48 2b0f s ARG 84 Ca 0.54 2.47 -0.23 0.00 -0.13 0.00 0.00 55.73 58.39 2b0f s ARG 84 Cb -0.17 -3.11 -0.08 0.00 -1.56 0.00 0.00 34.95 30.03 2b0f s ARG 84 CO 0.22 -0.65 1.93 -0.51 -0.81 0.00 0.00 175.30 175.48 2b0f s ASP 85 N 1.04 5.07 -0.08 -2.12 1.11 -1.26 -4.18 116.67 116.25 2b0f s ASP 85 Ca 0.71 -1.61 0.05 0.00 0.18 0.00 0.00 52.55 51.88 2b0f s ASP 85 Cb -0.46 -2.59 0.30 0.00 1.07 0.00 0.00 42.92 41.24 2b0f s ASP 85 CO 0.34 -3.03 0.97 2.30 1.18 0.00 0.00 175.17 176.93 2b0f n ILE 86 N 7.79 1.00 0.38 0.77 -6.64 0.27 -4.09 119.36 118.83 2b0f n ILE 86 Ca 0.45 -0.51 0.10 0.00 -1.77 0.00 0.00 62.75 61.01 2b0f n ILE 86 Cb 0.47 -0.39 0.44 0.00 -1.44 0.00 0.00 39.64 38.71 2b0f n ILE 86 CO 0.00 0.00 0.00 -2.11 -1.77 0.00 0.00 176.55 172.67 2b0f n ARG 87 N 0.24 0.14 0.18 6.28 1.85 -1.21 -1.38 116.66 122.75 2b0f n ARG 87 Ca 0.10 0.41 0.12 0.00 -1.00 0.00 0.00 57.85 57.48 2b0f n ARG 87 Cb 0.59 -1.78 0.19 0.00 -1.05 0.00 0.00 32.46 30.41 2b0f n ARG 87 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2b0f h GLY 88 N 1.98 0.00 1.17 2.89 0.00 -1.93 -3.00 103.07 104.19 2b0f h GLY 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2b0f h GLY 88 CO 0.00 0.00 -0.42 0.69 0.00 0.00 0.00 176.54 176.81 2b0f n PHE 89 N -2.86 0.02 -3.02 5.60 3.72 -0.48 -4.79 117.46 115.65 2b0f n PHE 89 Ca 0.04 0.01 -0.40 0.00 -0.05 0.00 0.00 57.45 57.04 2b0f n PHE 89 Cb 0.51 -0.30 -0.05 0.00 -0.94 0.00 0.00 39.48 38.70 2b0f n PHE 89 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2b0f s ILE 90 N -3.01 4.93 -0.14 4.37 1.01 -1.13 0.17 121.20 127.40 2b0f s ILE 90 Ca 0.11 1.52 -0.05 0.00 0.00 0.00 0.00 60.65 62.23 2b0f s ILE 90 Cb 0.18 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 2b0f s ILE 90 CO 0.67 0.30 0.03 -0.44 0.00 0.00 0.00 174.94 175.50 2b0f s SER 91 N 0.46 5.41 0.28 3.58 0.01 -1.19 -4.49 113.70 117.75 2b0f s SER 91 Ca 0.38 0.09 0.17 0.00 1.31 0.00 0.00 55.95 57.90 2b0f s SER 91 Cb -0.19 -1.79 0.09 0.00 0.21 0.00 0.00 66.02 64.34 2b0f s SER 91 CO 0.20 0.25 1.37 1.05 0.41 0.00 0.00 173.24 176.52 2b0f h GLU 92 N 6.11 0.00 -4.24 12.44 4.11 -1.89 -3.14 114.58 127.97 2b0f h GLU 92 Ca -0.41 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.43 2b0f h GLU 92 Cb 1.18 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.05 2b0f h GLU 92 CO 0.63 0.34 -0.79 0.34 0.07 0.00 0.00 179.01 179.61 2b0f s ASP 93 N -6.25 3.49 0.05 3.06 2.15 -1.26 -4.79 116.67 113.12 2b0f s ASP 93 Ca 0.03 -1.00 -0.19 0.00 0.43 0.00 0.00 52.55 51.82 2b0f s ASP 93 Cb 0.07 -1.06 -0.09 0.00 -0.30 0.00 0.00 42.92 41.55 2b0f s ASP 93 CO 0.74 -0.23 1.30 -0.07 -0.17 0.00 0.00 175.17 176.75 2b0f h LEU 94 N 8.02 -0.83 -2.40 -1.34 3.38 -1.95 -3.48 115.31 116.72 2b0f h LEU 94 Ca -0.20 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2b0f h LEU 94 Cb 1.09 0.29 0.01 0.00 0.09 0.00 0.00 40.66 42.15 2b0f h LEU 94 CO 0.41 -0.33 -0.06 1.21 0.09 0.00 0.00 178.44 179.75 2b0f n GLU 95 N -4.09 -1.34 0.00 1.13 2.13 -1.26 -4.96 120.64 112.25 2b0f n GLU 95 Ca -0.06 1.42 0.00 0.00 0.66 0.00 0.00 57.16 59.18 2b0f n GLU 95 Cb 0.24 -5.62 0.00 0.00 0.27 0.00 0.00 31.44 26.32 2b0f n GLU 95 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2b0f n GLY 96 N -1.71 -0.80 0.85 8.31 0.00 -1.26 -5.01 105.19 105.58 2b0f n GLY 96 Ca -0.01 0.83 0.03 0.00 0.00 0.00 0.00 46.02 46.88 2b0f n GLY 96 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2b0f n VAL 97 N 0.00 0.79 -3.80 1.61 3.14 -1.26 -4.74 118.33 114.07 2b0f n VAL 97 Ca 0.00 -0.43 -0.14 0.00 -2.96 0.00 0.00 64.34 60.81 2b0f n VAL 97 Cb 0.00 -0.30 -0.15 0.00 -1.06 0.00 0.00 33.84 32.33 2b0f n VAL 97 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2b0f s ASP 98 N -0.42 0.03 0.25 6.55 -1.08 -1.26 -1.78 116.67 118.97 2b0f s ASP 98 Ca 0.18 0.05 -0.09 0.00 -0.52 0.00 0.00 52.55 52.17 2b0f s ASP 98 Cb 0.13 -0.02 -0.01 0.00 -1.46 0.00 0.00 42.92 41.55 2b0f s ASP 98 CO 0.07 -0.09 0.42 0.00 0.52 0.00 0.00 175.17 176.08 2b0f s ALA 99 N 0.77 0.13 0.01 3.66 0.00 0.84 -4.88 121.76 122.29 2b0f s ALA 99 Ca -0.06 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 50.85 2b0f s ALA 99 Cb -0.09 1.13 -0.02 0.00 0.00 0.00 0.00 23.12 24.14 2b0f s ALA 99 CO -0.02 -0.80 -0.16 0.99 0.00 0.00 0.00 175.76 175.77 2b0f s THR 100 N -3.90 1.24 -0.31 0.00 2.01 0.03 -2.05 115.64 112.67 2b0f s THR 100 Ca 0.26 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 2b0f s THR 100 Cb 0.01 -1.06 0.04 0.00 0.01 0.00 0.00 72.50 71.49 2b0f s THR 100 CO 0.11 0.24 0.05 -0.22 -0.69 0.00 0.00 174.62 174.11 2b0f s LEU 101 N -0.66 4.02 -0.13 4.42 1.98 0.17 0.16 118.68 128.63 2b0f s LEU 101 Ca 0.05 -1.12 -0.05 0.00 -2.89 0.00 0.00 54.13 50.12 2b0f s LEU 101 Cb -0.07 -1.80 -0.04 0.00 0.66 0.00 0.00 46.19 44.95 2b0f s LEU 101 CO 0.00 -0.27 0.06 0.68 -1.89 0.00 0.00 176.35 174.93 2b0f s VAL 102 N 1.35 4.83 -0.06 1.68 -7.23 0.46 -0.16 120.40 121.28 2b0f s VAL 102 Ca -0.02 -0.04 0.05 0.00 -1.81 0.00 0.00 61.98 60.16 2b0f s VAL 102 Cb -0.19 -3.11 -0.00 0.00 0.56 0.00 0.00 36.38 33.64 2b0f s VAL 102 CO 0.01 0.56 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.45 2b0f s VAL 103 N -0.45 1.79 -0.30 1.32 1.01 0.39 0.15 120.40 124.31 2b0f s VAL 103 Ca 0.10 -0.90 0.20 0.00 0.00 0.00 0.00 61.98 61.37 2b0f s VAL 103 Cb -0.12 -1.53 0.48 0.00 0.00 0.00 0.00 36.38 35.21 2b0f s VAL 103 CO 0.02 0.50 1.04 1.57 0.00 0.00 0.00 175.10 178.23 2b0f n HIS 104 N 3.19 1.33 -2.98 5.22 -0.00 -1.18 -0.50 115.22 120.30 2b0f n HIS 104 Ca -0.18 -2.48 0.00 0.00 0.46 0.00 0.00 57.72 55.52 2b0f n HIS 104 Cb 0.52 -0.30 0.00 0.00 -0.12 0.00 0.00 29.99 30.10 2b0f n HIS 104 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2b0f n SER 105 N -0.35 0.88 0.15 0.26 7.64 -0.76 -4.37 113.62 117.08 2b0f n SER 105 Ca 0.10 -0.54 0.12 0.00 1.01 0.00 0.00 58.87 59.56 2b0f n SER 105 Cb 0.81 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 64.18 2b0f n SER 105 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2b0f h ASN 106 N 0.00 0.00 0.02 6.43 -1.07 -1.77 -3.01 115.58 116.18 2b0f h ASN 106 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 56.30 56.34 2b0f h ASN 106 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2b0f h ASN 106 CO 0.00 0.01 -0.01 -0.55 0.07 0.00 0.00 177.43 176.95 2b0f h ASN 107 N 0.00 -0.02 -3.18 6.14 7.08 -1.82 -3.42 115.58 120.36 2b0f h ASN 107 Ca 0.00 -0.36 -0.44 0.00 -3.08 0.00 0.00 56.30 52.41 2b0f h ASN 107 Cb 0.93 0.01 -0.40 0.00 -2.08 0.00 0.00 38.32 36.77 2b0f h ASN 107 CO 0.00 0.35 -0.75 -0.36 -2.08 0.00 0.00 177.43 174.59 2b0f s PHE 108 N -4.69 0.36 -0.71 4.14 0.08 -1.24 -5.07 117.98 110.85 2b0f s PHE 108 Ca -0.15 -0.24 -0.19 0.00 0.12 0.00 0.00 56.93 56.47 2b0f s PHE 108 Cb 0.03 -0.71 0.11 0.00 -0.57 0.00 0.00 43.02 41.88 2b0f s PHE 108 CO 0.66 -0.42 0.86 0.99 -0.10 0.00 0.00 175.22 177.21 2b0f s THR 109 N 2.08 4.76 -0.22 0.64 2.01 -1.14 -1.83 115.64 121.94 2b0f s THR 109 Ca 0.03 -1.12 -0.00 0.00 0.31 0.00 0.00 61.69 60.90 2b0f s THR 109 Cb -0.15 -4.60 0.00 0.00 0.01 0.00 0.00 72.50 67.77 2b0f s THR 109 CO -0.07 -1.28 0.21 -3.20 -0.69 0.00 0.00 174.62 169.59 2b0f n ASN 110 N 6.48 -3.74 -3.95 3.53 5.15 -0.48 -4.96 115.26 117.29 2b0f n ASN 110 Ca 0.01 -0.01 -0.18 0.00 -0.60 0.00 0.00 54.58 53.80 2b0f n ASN 110 Cb 0.45 -2.29 -0.15 0.00 -0.53 0.00 0.00 39.78 37.26 2b0f n ASN 110 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2b0f s THR 111 N -2.93 0.51 -0.26 -0.44 2.01 0.35 -5.01 115.64 109.87 2b0f s THR 111 Ca 0.00 -0.22 -0.06 0.00 0.31 0.00 0.00 61.69 61.72 2b0f s THR 111 Cb -0.00 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 72.04 2b0f s THR 111 CO 0.22 0.17 0.03 -0.51 -0.69 0.00 0.00 174.62 173.85 2b0f s ILE 112 N 0.19 3.76 -0.29 1.82 2.07 -1.26 -0.46 121.20 127.03 2b0f s ILE 112 Ca -0.02 -0.59 -0.04 0.00 -1.41 0.00 0.00 60.65 58.59 2b0f s ILE 112 Cb -0.06 -2.85 0.03 0.00 0.13 0.00 0.00 42.46 39.70 2b0f s ILE 112 CO -0.00 0.22 0.02 -0.76 -1.91 0.00 0.00 174.94 172.51 2b0f s LEU 113 N 1.50 3.73 -0.21 8.50 1.02 0.78 -4.99 118.68 129.01 2b0f s LEU 113 Ca 0.04 -0.94 -0.29 0.00 0.02 0.00 0.00 54.13 52.95 2b0f s LEU 113 Cb -0.16 -1.78 0.01 0.00 0.02 0.00 0.00 46.19 44.28 2b0f s LEU 113 CO 0.00 -0.21 1.06 -1.61 0.02 0.00 0.00 176.35 175.62 2b0f s GLU 114 N 1.38 4.27 -0.07 1.70 2.02 -1.26 0.45 118.70 127.19 2b0f s GLU 114 Ca -0.00 1.40 0.19 0.00 0.02 0.00 0.00 54.97 56.57 2b0f s GLU 114 Cb -0.18 -3.64 -0.24 0.00 0.10 0.00 0.00 34.13 30.17 2b0f s GLU 114 CO -0.00 -0.61 0.41 1.33 0.02 0.00 0.00 175.26 176.41 2b0f n VAL 115 N 5.24 0.93 0.00 2.63 0.24 -1.13 -4.92 118.33 121.32 2b0f n VAL 115 Ca 0.12 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 2b0f n VAL 115 Cb 0.46 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 2b0f n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2b0f n GLY 116 N 1.50 0.69 3.72 7.63 0.00 -0.87 -4.79 105.19 113.08 2b0f n GLY 116 Ca -0.18 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 2b0f n GLY 116 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2b0f s PRO 117 N 0.00 4.17 -0.08 1.61 0.02 -1.25 -0.11 135.00 139.36 2b0f s PRO 117 Ca 0.00 2.47 0.04 0.00 0.02 0.00 0.00 61.00 63.54 2b0f s PRO 117 Cb 0.00 -3.11 -0.00 0.00 0.02 0.00 0.00 34.50 31.41 2b0f s PRO 117 CO 0.00 -0.66 -0.22 0.14 -0.33 0.00 0.00 177.00 175.93 2b0f s VAL 118 N 1.04 1.91 0.05 3.83 -7.23 -0.73 -4.33 120.40 114.93 2b0f s VAL 118 Ca 0.71 -0.95 0.08 0.00 -1.81 0.00 0.00 61.98 60.02 2b0f s VAL 118 Cb -0.46 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 2b0f s VAL 118 CO 0.33 0.53 -0.23 0.42 -0.31 0.00 0.00 175.10 175.84 2b0f s THR 119 N 0.23 1.84 -0.37 5.32 -4.23 0.86 -4.64 115.64 114.66 2b0f s THR 119 Ca -0.14 -1.29 -0.28 0.00 -1.18 0.00 0.00 61.69 58.81 2b0f s THR 119 Cb -0.16 -1.59 0.02 0.00 1.34 0.00 0.00 72.50 72.10 2b0f s THR 119 CO 0.07 0.25 1.04 -0.04 -0.54 0.00 0.00 174.62 175.40 2b0f s MET 120 N -1.24 3.91 -0.18 3.99 -1.94 -1.26 0.92 119.30 123.50 2b0f s MET 120 Ca 0.09 0.80 -0.24 0.00 -1.71 0.00 0.00 55.69 54.62 2b0f s MET 120 Cb -0.09 -3.80 -0.22 0.00 2.01 0.00 0.00 34.83 32.73 2b0f s MET 120 CO 0.02 -1.03 0.44 0.00 -0.01 0.00 0.00 175.02 174.45 2b0f h ALA 121 N 8.48 0.14 0.00 3.03 0.00 -1.48 -3.47 119.26 125.96 2b0f h ALA 121 Ca -0.22 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 53.81 2b0f h ALA 121 Cb 1.07 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2b0f h ALA 121 CO 1.04 0.39 0.00 0.41 0.00 0.00 0.00 179.25 181.09 2b0f n GLY 122 N 1.52 0.60 3.58 0.00 0.00 -0.99 -4.94 105.19 104.96 2b0f n GLY 122 Ca -0.22 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 2b0f n GLY 122 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2b0f s LEU 123 N 0.00 4.18 0.00 0.99 1.98 -1.26 -0.91 118.68 123.66 2b0f s LEU 123 Ca 0.00 0.12 0.04 0.00 -2.89 0.00 0.00 54.13 51.40 2b0f s LEU 123 Cb 0.00 -2.43 -0.01 0.00 0.66 0.00 0.00 46.19 44.40 2b0f s LEU 123 CO 0.00 -0.27 0.13 2.30 -1.89 0.00 0.00 176.35 176.62 2b0f n ILE 124 N 5.19 0.00 -3.82 6.68 -5.35 -0.53 -5.00 119.36 116.54 2b0f n ILE 124 Ca -0.08 -1.11 -0.36 0.00 -0.27 0.00 0.00 62.75 60.93 2b0f n ILE 124 Cb 0.50 0.56 -0.12 0.00 -1.74 0.00 0.00 39.64 38.83 2b0f n ILE 124 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2b0f s ASN 125 N -2.07 5.15 -0.39 7.28 0.01 -1.26 -0.79 114.94 122.87 2b0f s ASN 125 Ca 0.18 -1.69 -0.29 0.00 -0.71 0.00 0.00 52.86 50.35 2b0f s ASN 125 Cb 0.01 -1.80 0.02 0.00 0.41 0.00 0.00 41.25 39.89 2b0f s ASN 125 CO 0.13 -0.43 1.13 -0.76 -1.51 0.00 0.00 177.10 175.66 2b0f s LEU 126 N 1.20 3.79 -1.14 0.60 2.01 0.47 -3.71 118.68 121.89 2b0f s LEU 126 Ca 0.03 0.80 -0.01 0.00 0.01 0.00 0.00 54.13 54.96 2b0f s LEU 126 Cb -0.21 -3.55 0.01 0.00 0.01 0.00 0.00 46.19 42.45 2b0f s LEU 126 CO -0.02 -1.08 0.08 -1.54 1.01 0.00 0.00 176.35 174.80 2b0f n SER 127 N 7.41 -4.09 -2.30 2.29 3.41 -1.26 -1.49 113.62 117.59 2b0f n SER 127 Ca 0.12 0.10 -0.05 0.00 -0.26 0.00 0.00 58.87 58.78 2b0f n SER 127 Cb 0.48 -3.45 0.02 0.00 -0.26 0.00 0.00 64.21 61.00 2b0f n SER 127 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2b0f n SER 128 N -1.90 -4.33 -3.40 4.04 7.64 -1.24 -5.07 113.62 109.35 2b0f n SER 128 Ca -0.14 -0.26 0.02 0.00 1.01 0.00 0.00 58.87 59.50 2b0f n SER 128 Cb 0.61 -2.80 -0.03 0.00 -1.01 0.00 0.00 64.21 60.98 2b0f n SER 128 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2b0f s THR 129 N -3.14 -0.96 -0.20 0.44 2.01 -0.55 -5.11 115.64 108.13 2b0f s THR 129 Ca 0.16 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 2b0f s THR 129 Cb -0.02 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.42 2b0f s THR 129 CO 0.35 0.00 2.16 -0.81 -0.69 0.00 0.00 174.62 175.63 2b0f n PRO 130 N 5.42 1.96 -4.71 4.92 -0.04 -1.26 -0.40 135.00 140.90 2b0f n PRO 130 Ca -0.07 0.58 -0.27 0.00 -0.04 0.00 0.00 63.50 63.70 2b0f n PRO 130 Cb 0.50 -3.05 -0.17 0.00 -0.04 0.00 0.00 33.50 30.75 2b0f n PRO 130 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2b0f s THR 131 N 7.37 1.44 0.30 0.52 2.01 0.03 -2.69 115.64 124.62 2b0f s THR 131 Ca 1.00 -0.65 0.07 0.00 0.31 0.00 0.00 61.69 62.43 2b0f s THR 131 Cb -0.45 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 2b0f s THR 131 CO 0.39 0.43 0.23 0.21 -0.69 0.00 0.00 174.62 175.19 2b0f s ASN 132 N 0.67 5.29 -0.72 3.53 2.47 -0.37 -1.45 114.94 124.36 2b0f s ASN 132 Ca -0.14 -0.43 -0.02 0.00 0.42 0.00 0.00 52.86 52.69 2b0f s ASN 132 Cb -0.16 -1.11 0.00 0.00 -1.45 0.00 0.00 41.25 38.53 2b0f s ASN 132 CO 0.04 -0.21 0.26 -1.14 -3.72 0.00 0.00 177.10 172.33 2b0f n ARG 133 N -1.25 -2.16 -3.16 0.43 0.63 -0.09 -4.69 116.66 106.37 2b0f n ARG 133 Ca -0.05 0.42 -0.39 0.00 -0.92 0.00 0.00 57.85 56.92 2b0f n ARG 133 Cb 0.59 -4.28 -0.06 0.00 0.45 0.00 0.00 32.46 29.16 2b0f n ARG 133 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 2b0f s MET 134 N -5.02 4.34 -0.14 -0.14 -1.94 -0.51 -0.11 119.30 115.79 2b0f s MET 134 Ca 0.13 0.89 -0.11 0.00 -1.71 0.00 0.00 55.69 54.89 2b0f s MET 134 Cb -0.06 -3.26 -0.05 0.00 2.01 0.00 0.00 34.83 33.48 2b0f s MET 134 CO 0.16 0.59 0.22 0.42 -0.01 0.00 0.00 175.02 176.40 2b0f s ILE 135 N -1.02 5.36 -0.18 2.53 -1.09 0.40 -1.18 121.20 126.02 2b0f s ILE 135 Ca 0.32 0.39 -0.03 0.00 -2.23 0.00 0.00 60.65 59.10 2b0f s ILE 135 Cb -0.21 -3.53 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 2b0f s ILE 135 CO 0.21 0.50 -0.07 -0.60 -1.23 0.00 0.00 174.94 173.76 2b0f s ARG 136 N -0.23 3.46 -0.04 2.79 3.52 0.26 -2.30 118.95 126.40 2b0f s ARG 136 Ca 0.15 -0.62 -0.00 0.00 -0.13 0.00 0.00 55.73 55.13 2b0f s ARG 136 Cb -0.13 -2.88 0.03 0.00 -1.56 0.00 0.00 34.95 30.41 2b0f s ARG 136 CO 0.04 0.03 0.01 1.52 -0.81 0.00 0.00 175.30 176.09 2b0f s TYR 137 N 0.87 0.39 -0.68 5.12 1.13 -1.07 -0.10 117.35 123.01 2b0f s TYR 137 Ca -0.02 -0.01 -0.27 0.00 -1.41 0.00 0.00 57.07 55.37 2b0f s TYR 137 Cb -0.15 -0.53 0.00 0.00 -1.10 0.00 0.00 41.96 40.18 2b0f s TYR 137 CO 0.01 -0.19 1.59 0.34 -2.51 0.00 0.00 175.55 174.78 2b0f s ASP 138 N 1.43 5.70 -0.29 -0.18 2.15 -1.26 -0.46 116.67 123.76 2b0f s ASP 138 Ca -0.04 -0.06 -0.16 0.00 0.43 0.00 0.00 52.55 52.73 2b0f s ASP 138 Cb -0.13 -2.54 0.13 0.00 -0.30 0.00 0.00 42.92 40.08 2b0f s ASP 138 CO -0.03 -2.12 0.89 -0.47 -0.17 0.00 0.00 175.17 173.27 2b0f s TYR 139 N 7.49 -0.75 -0.91 -5.34 5.04 0.14 -4.96 117.35 118.07 2b0f s TYR 139 Ca 0.52 1.45 -0.24 0.00 -2.44 0.00 0.00 57.07 56.35 2b0f s TYR 139 Cb -0.10 0.45 -0.01 0.00 0.35 0.00 0.00 41.96 42.64 2b0f s TYR 139 CO 0.17 -0.37 1.75 0.00 -1.34 0.00 0.00 175.55 175.77 2b0f s ALA 140 N 1.64 2.08 0.46 3.97 0.00 -1.23 -2.98 121.76 125.70 2b0f s ALA 140 Ca -0.08 -1.67 -0.02 0.00 0.00 0.00 0.00 51.96 50.18 2b0f s ALA 140 Cb -0.05 -4.51 -0.02 0.00 0.00 0.00 0.00 23.12 18.54 2b0f s ALA 140 CO -0.17 -4.30 0.71 0.95 0.00 0.00 0.00 175.76 172.96 2b0f s THR 141 N 8.19 4.41 0.07 0.00 -4.23 -1.26 -5.05 115.64 117.77 2b0f s THR 141 Ca 0.61 -0.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.94 2b0f s THR 141 Cb -0.05 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.11 2b0f s THR 141 CO -0.01 -0.54 -0.12 -0.54 -0.54 0.00 0.00 174.62 172.87 2b0f s LYS 142 N -4.63 0.75 0.72 3.99 -0.14 -1.26 -4.88 119.74 114.28 2b0f s LYS 142 Ca 0.47 -0.92 -0.17 0.00 -1.36 0.00 0.00 55.97 54.00 2b0f s LYS 142 Cb -0.10 -0.67 -0.11 0.00 -1.68 0.00 0.00 37.83 35.27 2b0f s LYS 142 CO 0.41 0.14 -0.06 2.41 -0.76 0.00 0.00 175.35 177.49 2b0f n THR 143 N 1.28 0.61 0.00 2.17 -1.04 -1.26 -2.05 114.28 113.99 2b0f n THR 143 Ca -0.21 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 2b0f n THR 143 Cb 0.54 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 2b0f n THR 143 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2b0f n GLY 144 N 2.44 2.75 0.00 3.41 0.00 -1.26 -4.83 105.19 107.70 2b0f n GLY 144 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2b0f n GLY 144 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2b0f n GLN 145 N 0.00 0.88 -2.05 1.61 6.02 -0.87 -4.53 117.38 118.44 2b0f n GLN 145 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 2b0f n GLN 145 Cb 0.00 -1.00 -0.02 0.00 1.02 0.00 0.00 30.24 30.24 2b0f n GLN 145 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b0f n GLY 147 N 0.84 1.79 3.70 0.00 0.00 -0.47 -4.48 105.19 106.57 2b0f n GLY 147 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2b0f n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b0f n GLY 148 N -1.11 0.50 3.62 -0.02 0.00 -1.19 -4.12 105.19 102.87 2b0f n GLY 148 Ca 0.00 0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 2b0f n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b0f s VAL 149 N -1.28 5.31 -0.46 1.61 1.01 0.12 0.14 120.40 126.85 2b0f s VAL 149 Ca 0.67 0.23 -0.22 0.00 0.00 0.00 0.00 61.98 62.67 2b0f s VAL 149 Cb -0.46 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.41 2b0f s VAL 149 CO 0.53 0.28 0.72 -0.22 0.00 0.00 0.00 175.10 176.41 2b0f s LEU 150 N 1.49 4.43 0.36 3.92 2.96 0.18 -0.40 118.68 131.62 2b0f s LEU 150 Ca 0.08 -0.34 -0.05 0.00 -0.22 0.00 0.00 54.13 53.60 2b0f s LEU 150 Cb -0.15 -2.78 0.01 0.00 0.50 0.00 0.00 46.19 43.78 2b0f s LEU 150 CO 0.08 -0.89 0.55 0.00 -1.32 0.00 0.00 176.35 174.77 2b0f s ALA 152 N -2.86 0.17 -0.43 0.00 0.00 0.11 -0.79 121.76 117.97 2b0f s ALA 152 Ca 0.27 -1.22 -0.27 0.00 0.00 0.00 0.00 51.96 50.75 2b0f s ALA 152 Cb -0.01 0.95 -0.06 0.00 0.00 0.00 0.00 23.12 23.99 2b0f s ALA 152 CO 0.19 -0.87 2.33 -0.08 0.00 0.00 0.00 175.76 177.33 2b0f s THR 153 N -2.65 3.03 0.00 0.00 -1.32 -1.26 -1.81 115.64 111.63 2b0f s THR 153 Ca 0.24 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.74 2b0f s THR 153 Cb -0.03 -3.06 0.00 0.00 -1.51 0.00 0.00 72.50 67.91 2b0f s THR 153 CO 0.17 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 2b0f n GLY 154 N 5.93 0.97 2.75 6.08 0.00 -1.26 -4.98 105.19 114.69 2b0f n GLY 154 Ca 0.34 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.13 2b0f n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b0f s LYS 155 N -0.29 0.52 -0.24 1.61 1.02 -0.75 -4.61 119.74 117.00 2b0f s LYS 155 Ca 0.00 0.11 -0.11 0.00 0.02 0.00 0.00 55.97 55.99 2b0f s LYS 155 Cb 0.00 -0.99 -0.05 0.00 -0.52 0.00 0.00 37.83 36.28 2b0f s LYS 155 CO 0.00 -0.33 0.19 0.42 -0.92 0.00 0.00 175.35 174.71 2b0f s ILE 156 N 1.99 5.34 -0.15 2.17 1.01 0.13 0.06 121.20 131.75 2b0f s ILE 156 Ca 0.05 0.24 0.06 0.00 0.00 0.00 0.00 60.65 61.00 2b0f s ILE 156 Cb -0.12 -3.53 -0.23 0.00 0.01 0.00 0.00 42.46 38.59 2b0f s ILE 156 CO -0.05 0.33 0.25 0.49 0.00 0.00 0.00 174.94 175.96 2b0f n PHE 157 N 4.34 0.63 -3.95 3.97 3.72 0.43 -3.18 117.46 123.42 2b0f n PHE 157 Ca -0.14 0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2b0f n PHE 157 Cb 0.52 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.96 2b0f n PHE 157 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b0f n GLY 158 N 1.88 -0.77 3.21 1.37 0.00 -0.80 -0.00 105.19 110.07 2b0f n GLY 158 Ca -0.31 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.40 2b0f n GLY 158 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2b0f s ILE 159 N -3.00 1.24 0.06 -0.61 -4.36 -1.12 0.49 121.20 113.91 2b0f s ILE 159 Ca 0.00 -1.54 -0.30 0.00 -0.26 0.00 0.00 60.65 58.55 2b0f s ILE 159 Cb 0.00 -1.34 -0.09 0.00 1.25 0.00 0.00 42.46 42.28 2b0f s ILE 159 CO 0.00 -0.33 1.81 -2.28 0.24 0.00 0.00 174.94 174.38 2b0f s HIS 160 N -1.75 1.90 -0.05 1.37 5.65 0.38 -0.67 115.29 122.12 2b0f s HIS 160 Ca 0.04 -0.06 0.04 0.00 0.25 0.00 0.00 55.06 55.33 2b0f s HIS 160 Cb -0.07 -4.12 -0.06 0.00 -1.18 0.00 0.00 32.58 27.15 2b0f s HIS 160 CO 0.03 -4.74 0.01 0.28 -0.65 0.00 0.00 174.74 169.67 2b0f n VAL 161 N 5.11 0.34 -1.05 0.89 0.31 -0.40 -1.36 118.33 122.17 2b0f n VAL 161 Ca 0.18 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2b0f n VAL 161 Cb 0.40 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 2b0f n VAL 161 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2b0f n GLY 162 N 2.74 1.68 3.64 2.92 0.00 0.79 -4.93 105.19 112.04 2b0f n GLY 162 Ca -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 2b0f n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b0f s GLY 163 N 0.00 -0.14 -0.46 -0.02 0.00 -1.26 -0.08 107.32 105.35 2b0f s GLY 163 Ca 0.00 2.09 0.03 0.00 0.00 0.00 0.00 44.72 46.84 2b0f s GLY 163 CO 0.00 0.73 0.29 0.21 0.00 0.00 0.00 173.10 174.33 2b0f s ASN 164 N -1.83 3.33 0.43 1.64 2.47 0.21 -4.84 114.94 116.35 2b0f s ASN 164 Ca 0.11 -2.85 0.00 0.00 0.42 0.00 0.00 52.86 50.54 2b0f s ASN 164 Cb -0.01 -0.95 0.00 0.00 -1.45 0.00 0.00 41.25 38.84 2b0f s ASN 164 CO -0.03 -0.23 0.00 0.61 -3.72 0.00 0.00 177.10 173.73 2b0f n GLY 165 N 3.22 1.30 0.52 1.21 0.00 -1.26 -2.57 105.19 107.61 2b0f n GLY 165 Ca 0.15 0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.53 2b0f n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b0f n ARG 166 N 0.00 1.47 -5.13 1.61 5.12 -1.26 -4.42 116.66 114.05 2b0f n ARG 166 Ca 0.00 -1.04 -0.31 0.00 -1.93 0.00 0.00 57.85 54.57 2b0f n ARG 166 Cb 0.00 -1.48 -0.17 0.00 -1.16 0.00 0.00 32.46 29.65 2b0f n ARG 166 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2b0f s GLN 167 N -2.24 2.70 0.36 5.56 -0.21 -1.06 -0.68 119.66 124.09 2b0f s GLN 167 Ca 0.28 -0.81 -0.15 0.00 0.02 0.00 0.00 55.36 54.70 2b0f s GLN 167 Cb 0.20 -2.11 -0.09 0.00 1.00 0.00 0.00 33.01 32.01 2b0f s GLN 167 CO 0.43 0.21 0.78 0.20 -2.12 0.00 0.00 175.29 174.78 2b0f s GLY 168 N 0.26 2.24 -0.18 3.09 0.00 0.40 0.64 107.32 113.76 2b0f s GLY 168 Ca -0.14 0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.60 2b0f s GLY 168 CO 0.07 0.24 -0.04 -1.36 0.00 0.00 0.00 173.10 172.01 2b0f s PHE 169 N -2.13 1.71 0.25 1.90 0.40 0.89 -2.60 117.98 118.40 2b0f s PHE 169 Ca 0.55 -1.13 0.08 0.00 -0.60 0.00 0.00 56.93 55.82 2b0f s PHE 169 Cb -0.10 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 2b0f s PHE 169 CO 0.21 -0.63 0.10 -1.12 0.70 0.00 0.00 175.22 174.48 2b0f s SER 170 N 1.63 5.10 -0.14 1.36 0.01 -0.97 -0.15 113.70 120.54 2b0f s SER 170 Ca -0.00 -0.40 -0.13 0.00 1.31 0.00 0.00 55.95 56.72 2b0f s SER 170 Cb -0.16 -1.17 -0.05 0.00 0.21 0.00 0.00 66.02 64.86 2b0f s SER 170 CO -0.07 -0.01 0.29 0.00 0.41 0.00 0.00 173.24 173.86 2b0f s ALA 171 N -2.15 3.63 -0.42 1.44 0.00 0.16 0.15 121.76 124.58 2b0f s ALA 171 Ca 0.32 -0.45 -0.28 0.00 0.00 0.00 0.00 51.96 51.55 2b0f s ALA 171 Cb -0.08 -2.35 -0.01 0.00 0.00 0.00 0.00 23.12 20.69 2b0f s ALA 171 CO 0.22 0.19 1.67 -1.14 0.00 0.00 0.00 175.76 176.71 2b0f s GLN 172 N 0.12 3.28 -0.86 0.00 0.74 0.85 -2.78 119.66 121.01 2b0f s GLN 172 Ca 0.17 1.07 -0.22 0.00 0.05 0.00 0.00 55.36 56.43 2b0f s GLN 172 Cb -0.13 -4.17 0.08 0.00 1.10 0.00 0.00 33.01 29.89 2b0f s GLN 172 CO 0.05 -1.93 1.18 -0.51 -0.55 0.00 0.00 175.29 173.54 2b0f s LEU 173 N 6.77 4.26 -0.11 3.68 1.43 1.00 -4.95 118.68 130.76 2b0f s LEU 173 Ca 0.70 -1.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.09 2b0f s LEU 173 Cb -0.17 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.57 2b0f s LEU 173 CO 0.30 -1.37 0.97 -0.54 0.23 0.00 0.00 176.35 175.95 2b0f s LYS 174 N 3.99 4.41 0.37 1.70 1.02 -1.26 -4.38 119.74 125.60 2b0f s LYS 174 Ca 0.34 1.33 0.21 0.00 0.02 0.00 0.00 55.97 57.87 2b0f s LYS 174 Cb -0.07 -3.54 1.35 0.00 -0.52 0.00 0.00 37.83 35.05 2b0f s LYS 174 CO -0.02 -0.29 1.58 -0.22 -0.92 0.00 0.00 175.35 175.49 2b0f h LYS 175 N 7.10 0.01 -0.74 1.68 3.64 -1.77 -0.63 116.57 125.86 2b0f h LYS 175 Ca -0.32 -0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.23 2b0f h LYS 175 Cb 1.15 -0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.85 2b0f h LYS 175 CO 0.85 0.01 0.13 1.96 -2.27 0.00 0.00 179.45 180.13 2b0f h GLN 176 N 0.01 0.21 0.00 1.90 4.20 -1.91 -1.75 115.11 117.77 2b0f h GLN 176 Ca 0.85 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.54 2b0f h GLN 176 Cb 2.25 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.98 2b0f h GLN 176 CO -0.75 0.14 0.00 1.88 -0.67 0.00 0.00 178.83 179.43 2b0f h TYR 177 N 0.22 0.00 0.00 2.96 0.05 -1.51 0.54 116.97 119.23 2b0f h TYR 177 Ca 0.42 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.14 2b0f h TYR 177 Cb 0.72 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 2b0f h TYR 177 CO -0.30 0.00 -0.64 0.74 -1.05 0.00 0.00 178.16 176.91 2b0f h PHE 178 N 0.00 0.00 0.00 4.88 0.04 -1.47 -2.25 116.94 118.15 2b0f h PHE 178 Ca 0.00 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.44 2b0f h PHE 178 Cb 0.17 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.26 2b0f h PHE 178 CO 0.00 0.23 -2.17 0.28 -0.60 0.00 0.00 178.31 176.05 2b0f n VAL 179 N -2.99 1.38 -0.14 -0.55 0.31 -0.66 -4.30 118.33 111.38 2b0f n VAL 179 Ca 0.00 -0.82 -0.10 0.00 -0.01 0.00 0.00 64.34 63.41 2b0f n VAL 179 Cb 0.64 -0.59 -0.01 0.00 -0.91 0.00 0.00 33.84 32.97 2b0f n VAL 179 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2b0f h GLU 180 N 0.00 0.71 -6.76 5.55 4.57 -0.01 -3.42 114.58 115.21 2b0f h GLU 180 Ca -0.45 -0.21 -0.53 0.00 -1.18 0.00 0.00 59.36 57.00 2b0f h GLU 180 Cb 2.12 -0.07 0.06 0.00 -0.16 0.00 0.00 28.75 30.69 2b0f h GLU 180 CO 0.04 0.77 0.73 -1.59 -1.18 0.00 0.00 179.01 177.78 2b0f s LYS 181 N -5.10 4.29 0.00 1.92 0.00 -0.85 -5.05 119.74 114.95 2b0f s LYS 181 Ca -0.13 2.27 0.00 0.00 0.00 0.00 0.00 55.97 58.11 2b0f s LYS 181 Cb 0.10 -3.11 0.00 0.00 0.00 0.00 0.00 37.83 34.82 2b0f s LYS 181 CO 0.79 -0.37 0.21 0.00 0.00 0.00 0.00 175.35 175.98