#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 -0.33 -0.51 1.61 0.11 -2.04 -1.75 132.00 129.09 2b0f h PRO 2 Ca 0.00 0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.23 2b0f h PRO 2 Cb 0.00 0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.11 2b0f h PRO 2 CO 0.00 -0.22 0.06 -0.91 -0.21 0.00 0.00 178.00 176.72 2b0f h ASN 3 N -0.34 -0.10 0.04 -2.05 4.21 -1.96 0.32 115.58 115.69 2b0f h ASN 3 Ca 0.13 0.11 0.02 0.00 1.21 0.00 0.00 56.30 57.76 2b0f h ASN 3 Cb 0.55 0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.89 2b0f h ASN 3 CO -0.45 -0.02 -0.17 0.74 -1.29 0.00 0.00 177.43 176.23 2b0f h THR 4 N 0.18 0.59 -0.00 2.81 2.02 -1.88 -0.80 112.91 115.83 2b0f h THR 4 Ca 0.26 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.30 2b0f h THR 4 Cb 0.38 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2b0f h THR 4 CO -0.38 0.00 -0.67 -0.33 0.37 0.00 0.00 175.52 174.51 2b0f h GLU 5 N -0.31 0.02 0.03 6.66 5.08 -0.94 -0.27 114.58 124.85 2b0f h GLU 5 Ca 0.04 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2b0f h GLU 5 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2b0f h GLU 5 CO -0.14 0.68 -0.02 0.35 -1.00 0.00 0.00 179.01 178.88 2b0f h PHE 6 N 0.01 -0.04 -0.67 4.33 3.57 -0.16 -2.35 116.94 121.64 2b0f h PHE 6 Ca -0.01 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 2b0f h PHE 6 Cb 1.18 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 2b0f h PHE 6 CO 0.00 0.13 0.16 0.00 -2.23 0.00 0.00 178.31 176.38 2b0f h ALA 7 N 0.75 0.88 -0.54 2.41 0.00 -1.10 -0.45 119.26 121.20 2b0f h ALA 7 Ca -0.00 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.74 2b0f h ALA 7 Cb 0.19 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2b0f h ALA 7 CO 0.01 0.60 0.19 1.25 0.00 0.00 0.00 179.25 181.29 2b0f h LEU 8 N 0.99 0.18 0.05 0.00 6.46 -0.92 0.45 115.31 122.52 2b0f h LEU 8 Ca 0.21 0.07 -0.24 0.00 -0.12 0.00 0.00 57.88 57.80 2b0f h LEU 8 Cb 0.36 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 2b0f h LEU 8 CO 0.00 0.12 -1.12 -1.28 -0.62 0.00 0.00 178.44 175.55 2b0f h SER 9 N 0.37 0.23 -0.61 1.25 0.87 -1.33 -3.24 113.55 111.09 2b0f h SER 9 Ca 0.27 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2b0f h SER 9 Cb 0.31 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 2b0f h SER 9 CO -0.28 1.19 0.35 0.25 -0.53 0.00 0.00 176.83 177.81 2b0f h LEU 10 N 0.04 0.75 -1.49 2.23 5.85 -0.49 -2.29 115.31 119.92 2b0f h LEU 10 Ca -0.08 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 2b0f h LEU 10 Cb 1.86 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.70 2b0f h LEU 10 CO 0.17 0.61 -0.25 0.17 -0.34 0.00 0.00 178.44 178.80 2b0f h LEU 11 N 0.83 0.00 -0.70 2.25 8.10 -1.01 0.40 115.31 125.18 2b0f h LEU 11 Ca 0.22 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 58.09 2b0f h LEU 11 Cb 0.01 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.22 2b0f h LEU 11 CO -0.04 0.25 -0.54 0.03 -4.11 0.00 0.00 178.44 174.03 2b0f h ARG 12 N 0.00 0.00 0.00 0.17 3.08 -1.45 -2.93 114.38 113.24 2b0f h ARG 12 Ca -0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.67 2b0f h ARG 12 Cb 0.55 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.54 2b0f h ARG 12 CO 0.03 0.54 -2.12 1.63 -1.07 0.00 0.00 179.97 178.98 2b0f n LYS 13 N -3.59 0.58 -0.17 0.04 5.02 -0.87 -4.75 118.16 114.42 2b0f n LYS 13 Ca -0.00 0.33 0.05 0.00 -2.02 0.00 0.00 58.31 56.67 2b0f n LYS 13 Cb 0.61 -1.55 0.13 0.00 -0.02 0.00 0.00 35.03 34.21 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 -4.31 2.81 -4.06 4.39 4.13 0.08 -4.74 115.26 113.56 2b0f n ASN 14 Ca -0.46 -2.38 -0.31 0.00 1.68 0.00 0.00 54.58 53.10 2b0f n ASN 14 Cb 0.80 -0.27 -0.16 0.00 -1.54 0.00 0.00 39.78 38.61 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 -1.68 1.84 0.05 2.41 1.01 -1.11 -0.76 121.20 122.96 2b0f s ILE 15 Ca 0.23 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 59.98 2b0f s ILE 15 Cb 0.16 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 2b0f s ILE 15 CO 0.08 0.36 -0.16 -0.04 0.00 0.00 0.00 174.94 175.19 2b0f s MET 16 N 1.35 0.99 -0.67 2.79 -1.94 -0.65 -4.67 119.30 116.50 2b0f s MET 16 Ca 0.02 -0.86 -0.26 0.00 -1.71 0.00 0.00 55.69 52.88 2b0f s MET 16 Cb -0.14 -1.04 -0.01 0.00 2.01 0.00 0.00 34.83 35.65 2b0f s MET 16 CO -0.10 0.25 1.73 0.99 -0.01 0.00 0.00 175.02 177.88 2b0f s THR 17 N -0.96 3.45 -0.70 2.05 2.01 -1.26 -0.43 115.64 119.79 2b0f s THR 17 Ca 0.02 0.18 -0.21 0.00 0.31 0.00 0.00 61.69 61.99 2b0f s THR 17 Cb -0.09 -4.18 0.09 0.00 0.01 0.00 0.00 72.50 68.33 2b0f s THR 17 CO 0.02 -1.14 0.96 -0.63 -0.69 0.00 0.00 174.62 173.14 2b0f s ILE 18 N 8.34 4.47 -0.73 1.82 1.01 0.54 0.13 121.20 136.77 2b0f s ILE 18 Ca 0.60 -0.68 -0.26 0.00 0.00 0.00 0.00 60.65 60.31 2b0f s ILE 18 Cb -0.11 -4.68 0.00 0.00 0.01 0.00 0.00 42.46 37.69 2b0f s ILE 18 CO 0.17 -1.43 1.61 0.42 0.00 0.00 0.00 174.94 175.71 2b0f s THR 19 N 3.62 3.56 0.63 2.92 -4.23 -0.85 -1.04 115.64 120.25 2b0f s THR 19 Ca 0.23 0.14 0.07 0.00 -1.18 0.00 0.00 61.69 60.94 2b0f s THR 19 Cb -0.16 -4.43 0.11 0.00 1.34 0.00 0.00 72.50 69.36 2b0f s THR 19 CO 0.06 -1.38 0.87 -0.89 -0.54 0.00 0.00 174.62 172.74 2b0f s THR 20 N 7.52 2.06 0.50 3.99 2.01 0.11 -3.93 115.64 127.88 2b0f s THR 20 Ca 0.53 -0.90 0.27 0.00 0.31 0.00 0.00 61.69 61.90 2b0f s THR 20 Cb -0.09 -2.16 0.31 0.00 0.01 0.00 0.00 72.50 70.57 2b0f s THR 20 CO 0.13 0.00 2.15 0.28 -0.69 0.00 0.00 174.62 176.50 2b0f h SER 21 N -0.06 0.00 0.10 3.53 0.02 -1.65 -3.05 113.55 112.44 2b0f h SER 21 Ca -0.30 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.28 2b0f h SER 21 Cb 1.28 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.78 2b0f h SER 21 CO 0.40 0.07 -2.15 1.17 -1.14 0.00 0.00 176.83 175.17 2b0f n LYS 22 N -3.80 0.72 -1.25 3.45 3.00 -1.00 -5.05 118.16 114.23 2b0f n LYS 22 Ca -0.02 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 2b0f n LYS 22 Cb 0.16 -1.65 0.00 0.00 0.00 0.00 0.00 35.03 33.55 2b0f n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2b0f n GLY 23 N 2.05 -0.69 3.58 3.14 0.00 -1.15 -5.11 105.19 107.01 2b0f n GLY 23 Ca -0.36 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.20 3.82 0.14 1.61 0.41 -1.26 0.05 118.70 123.26 2b0f s GLU 24 Ca 0.00 0.01 0.10 0.00 -0.41 0.00 0.00 54.97 54.67 2b0f s GLU 24 Cb 0.00 -3.74 -0.04 0.00 -1.78 0.00 0.00 34.13 28.57 2b0f s GLU 24 CO 0.00 -0.50 -0.19 -0.06 -0.49 0.00 0.00 175.26 174.02 2b0f s PHE 25 N 2.31 2.48 -0.72 1.61 0.40 -0.20 -1.84 117.98 122.01 2b0f s PHE 25 Ca 0.19 -0.29 -0.27 0.00 -0.60 0.00 0.00 56.93 55.96 2b0f s PHE 25 Cb -0.16 -1.29 0.03 0.00 0.51 0.00 0.00 43.02 42.11 2b0f s PHE 25 CO 0.11 0.41 1.33 0.99 0.70 0.00 0.00 175.22 178.77 2b0f s THR 26 N -1.29 3.70 -0.69 0.64 2.01 -1.12 -0.34 115.64 118.55 2b0f s THR 26 Ca 0.19 0.41 -0.26 0.00 0.31 0.00 0.00 61.69 62.33 2b0f s THR 26 Cb -0.10 -4.82 0.04 0.00 0.01 0.00 0.00 72.50 67.63 2b0f s THR 26 CO 0.10 -1.76 1.18 -0.83 -0.69 0.00 0.00 174.62 172.63 2b0f s GLY 27 N 4.12 1.05 -0.40 4.40 0.00 0.42 -4.76 107.32 112.14 2b0f s GLY 27 Ca 0.38 -1.39 -0.17 0.00 0.00 0.00 0.00 44.72 43.54 2b0f s GLY 27 CO 0.16 2.47 0.44 -2.27 0.00 0.00 0.00 173.10 173.90 2b0f s LEU 28 N 5.18 4.73 0.06 0.66 2.96 -1.16 -1.64 118.68 129.47 2b0f s LEU 28 Ca 0.33 -0.53 -0.30 0.00 -0.22 0.00 0.00 54.13 53.41 2b0f s LEU 28 Cb -0.10 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.14 2b0f s LEU 28 CO 0.16 -0.54 1.03 -0.83 -1.32 0.00 0.00 176.35 174.85 2b0f s GLY 29 N 1.80 2.83 -0.21 7.98 0.00 0.06 -0.86 107.32 118.92 2b0f s GLY 29 Ca 0.13 0.64 -0.16 0.00 0.00 0.00 0.00 44.72 45.32 2b0f s GLY 29 CO 0.13 1.70 -0.32 1.39 0.00 0.00 0.00 173.10 176.01 2b0f n ILE 30 N 3.48 1.50 -3.73 0.90 2.08 0.72 -4.72 119.36 119.60 2b0f n ILE 30 Ca 0.05 -0.02 -0.13 0.00 0.56 0.00 0.00 62.75 63.21 2b0f n ILE 30 Cb 0.49 -2.20 -0.14 0.00 -0.75 0.00 0.00 39.64 37.05 2b0f n ILE 30 CO 0.00 0.00 0.00 -1.38 0.56 0.00 0.00 176.55 175.73 2b0f s HIS 31 N -2.72 -0.27 0.00 1.39 -3.43 -1.15 -0.59 115.29 108.53 2b0f s HIS 31 Ca -0.31 0.68 0.00 0.00 -0.80 0.00 0.00 55.06 54.64 2b0f s HIS 31 Cb 0.07 -0.01 0.00 0.00 -1.43 0.00 0.00 32.58 31.22 2b0f s HIS 31 CO 0.44 -0.21 0.00 -0.25 -2.00 0.00 0.00 174.74 172.71 2b0f n ASP 32 N 4.28 0.00 0.00 7.38 9.92 -1.25 -0.37 116.55 136.51 2b0f n ASP 32 Ca -0.25 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.01 2b0f n ASP 32 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 2b0f n ASP 32 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2b0f n ARG 33 N 0.00 1.15 -2.94 -1.24 1.85 -1.26 -1.36 116.66 112.86 2b0f n ARG 33 Ca 0.00 -0.88 -0.43 0.00 -1.00 0.00 0.00 57.85 55.54 2b0f n ARG 33 Cb 0.00 -0.79 -0.05 0.00 -1.05 0.00 0.00 32.46 30.57 2b0f n ARG 33 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2b0f s VAL 34 N -0.43 4.65 0.27 8.89 1.01 0.50 -2.36 120.40 132.93 2b0f s VAL 34 Ca 0.00 0.62 0.12 0.00 0.00 0.00 0.00 61.98 62.71 2b0f s VAL 34 Cb 0.00 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2b0f s VAL 34 CO 0.00 -0.65 -0.19 0.00 0.00 0.00 0.00 175.10 174.27 2b0f s VAL 36 N -2.37 3.03 -0.16 0.00 -7.23 -0.04 0.28 120.40 113.90 2b0f s VAL 36 Ca 0.29 -1.05 -0.16 0.00 -1.81 0.00 0.00 61.98 59.25 2b0f s VAL 36 Cb -0.06 -2.28 0.04 0.00 0.56 0.00 0.00 36.38 34.65 2b0f s VAL 36 CO 0.15 0.37 0.45 -0.51 -0.31 0.00 0.00 175.10 175.25 2b0f s ILE 37 N -0.93 0.00 0.57 -0.62 2.07 -0.86 -2.98 121.20 118.45 2b0f s ILE 37 Ca 0.15 -0.02 -0.20 0.00 -1.41 0.00 0.00 60.65 59.18 2b0f s ILE 37 Cb -0.11 -0.64 -0.06 0.00 0.13 0.00 0.00 42.46 41.78 2b0f s ILE 37 CO 0.06 -0.01 1.01 -2.65 -1.91 0.00 0.00 174.94 171.44 2b0f n PRO 38 N 2.74 1.05 -0.14 3.50 -0.02 -1.26 -0.63 135.00 140.24 2b0f n PRO 38 Ca -0.14 0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 61.62 2b0f n PRO 38 Cb 0.57 -2.19 -0.01 0.00 -0.02 0.00 0.00 33.50 31.85 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 0.76 1.27 0.00 3.45 2.02 -1.50 -2.87 112.91 116.04 2b0f h THR 39 Ca -0.48 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.26 2b0f h THR 39 Cb 1.35 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2b0f h THR 39 CO 0.52 0.49 0.00 0.00 0.37 0.00 0.00 175.52 176.90 2b0f n HIS 40 N -4.11 0.00 0.16 3.16 1.44 -1.26 -1.93 115.22 112.68 2b0f n HIS 40 Ca -0.01 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.74 2b0f n HIS 40 Cb 0.49 0.00 0.16 0.00 0.12 0.00 0.00 29.99 30.76 2b0f n HIS 40 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2b0f h ALA 41 N 2.44 0.79 -5.50 1.59 0.00 -1.88 -3.45 119.26 113.25 2b0f h ALA 41 Ca 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 2b0f h ALA 41 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2b0f h ALA 41 CO 0.00 0.58 -0.16 1.04 0.00 0.00 0.00 179.25 180.71 2b0f n GLN 42 N -3.35 -1.44 -2.61 0.00 6.02 -0.81 -2.37 117.38 112.82 2b0f n GLN 42 Ca 0.01 1.49 -0.42 0.00 -0.01 0.00 0.00 57.00 58.07 2b0f n GLN 42 Cb 0.64 -5.40 -0.03 0.00 1.02 0.00 0.00 30.24 26.47 2b0f n GLN 42 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2b0f s PRO 43 N -3.14 4.54 0.00 -1.09 0.02 -1.26 -3.79 135.00 130.28 2b0f s PRO 43 Ca 0.03 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.60 2b0f s PRO 43 Cb -0.01 -3.40 0.00 0.00 0.02 0.00 0.00 34.50 31.11 2b0f s PRO 43 CO 0.77 -0.07 0.00 0.41 -0.33 0.00 0.00 177.00 177.78 2b0f n GLY 44 N 2.83 -0.23 0.21 0.52 0.00 -1.26 -4.96 105.19 102.30 2b0f n GLY 44 Ca 0.06 -1.72 0.10 0.00 0.00 0.00 0.00 46.02 44.46 2b0f n GLY 44 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2b0f h ASP 45 N 0.00 0.00 -3.68 1.61 2.03 -1.96 -3.44 116.42 110.99 2b0f h ASP 45 Ca 0.00 0.00 -0.42 0.00 -0.73 0.00 0.00 57.03 55.88 2b0f h ASP 45 Cb 0.00 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 38.18 2b0f h ASP 45 CO 0.00 0.13 -0.78 1.51 -1.03 0.00 0.00 179.24 179.07 2b0f s ASP 46 N -6.20 1.10 0.19 4.15 -4.77 -1.26 -0.49 116.67 109.39 2b0f s ASP 46 Ca 0.05 -0.17 0.04 0.00 -3.30 0.00 0.00 52.55 49.17 2b0f s ASP 46 Cb 0.06 -0.38 -0.05 0.00 -1.09 0.00 0.00 42.92 41.47 2b0f s ASP 46 CO 0.67 0.02 -0.03 0.68 0.70 0.00 0.00 175.17 177.21 2b0f s VAL 47 N 0.43 1.01 -0.38 2.11 -7.23 -0.38 -4.96 120.40 111.00 2b0f s VAL 47 Ca -0.06 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 57.95 2b0f s VAL 47 Cb -0.10 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.71 2b0f s VAL 47 CO 0.01 -0.48 0.24 -0.76 -0.31 0.00 0.00 175.10 173.79 2b0f s LEU 48 N -3.24 4.84 -0.84 1.32 1.43 -1.25 -0.88 118.68 120.05 2b0f s LEU 48 Ca 0.24 -0.96 -0.18 0.00 -1.03 0.00 0.00 54.13 52.20 2b0f s LEU 48 Cb 0.05 -2.07 0.13 0.00 0.03 0.00 0.00 46.19 44.33 2b0f s LEU 48 CO 0.05 -0.40 1.00 0.54 0.23 0.00 0.00 176.35 177.77 2b0f s VAL 49 N 1.59 4.83 -1.26 -1.59 0.11 0.81 -2.01 120.40 122.89 2b0f s VAL 49 Ca 0.03 -1.51 0.00 0.00 -2.93 0.00 0.00 61.98 57.57 2b0f s VAL 49 Cb -0.19 -4.69 0.00 0.00 -1.53 0.00 0.00 36.38 29.97 2b0f s VAL 49 CO 0.08 -1.38 0.00 -3.20 -3.33 0.00 0.00 175.10 167.27 2b0f n ASN 50 N 6.25 -4.48 0.00 3.54 2.85 0.34 -2.42 115.26 121.34 2b0f n ASN 50 Ca 0.15 0.29 0.00 0.00 -0.11 0.00 0.00 54.58 54.92 2b0f n ASN 50 Cb 0.48 -3.02 0.00 0.00 1.24 0.00 0.00 39.78 38.47 2b0f n ASN 50 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2b0f n GLY 51 N -1.46 0.80 3.55 8.20 0.00 -1.25 -4.97 105.19 110.06 2b0f n GLY 51 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.52 3.53 0.13 1.61 -0.44 -1.01 -4.96 119.66 117.99 2b0f s GLN 52 Ca 0.00 -0.11 -0.30 0.00 -2.50 0.00 0.00 55.36 52.45 2b0f s GLN 52 Cb 0.00 -3.86 -0.07 0.00 -1.64 0.00 0.00 33.01 27.44 2b0f s GLN 52 CO 0.00 -0.83 1.08 -1.59 0.50 0.00 0.00 175.29 174.45 2b0f s LYS 53 N 2.75 4.58 -0.06 1.67 0.00 -1.26 -0.14 119.74 127.28 2b0f s LYS 53 Ca 0.24 1.65 -0.05 0.00 0.00 0.00 0.00 55.97 57.81 2b0f s LYS 53 Cb -0.14 -3.32 0.02 0.00 0.00 0.00 0.00 37.83 34.39 2b0f s LYS 53 CO 0.16 0.04 0.16 -1.50 0.00 0.00 0.00 175.35 174.21 2b0f s ILE 54 N 0.12 -0.01 -0.03 3.79 1.10 -0.06 -4.94 121.20 121.17 2b0f s ILE 54 Ca 0.51 0.04 -0.15 0.00 -0.51 0.00 0.00 60.65 60.54 2b0f s ILE 54 Cb -0.28 -0.24 -0.05 0.00 0.15 0.00 0.00 42.46 42.04 2b0f s ILE 54 CO 0.32 0.02 0.39 -0.13 -2.11 0.00 0.00 174.94 173.43 2b0f s ARG 55 N 0.36 3.95 0.29 3.50 0.52 -1.26 -1.25 118.95 125.05 2b0f s ARG 55 Ca -0.02 0.37 -0.29 0.00 -0.52 0.00 0.00 55.73 55.26 2b0f s ARG 55 Cb -0.04 -3.25 -0.10 0.00 0.52 0.00 0.00 34.95 32.09 2b0f s ARG 55 CO -0.01 0.62 1.32 0.54 0.02 0.00 0.00 175.30 177.79 2b0f s VAL 56 N -0.84 2.83 -0.16 3.52 0.11 0.35 -4.05 120.40 122.17 2b0f s VAL 56 Ca 0.23 0.78 -0.26 0.00 -2.93 0.00 0.00 61.98 59.80 2b0f s VAL 56 Cb -0.16 -3.50 -0.24 0.00 -1.53 0.00 0.00 36.38 30.95 2b0f s VAL 56 CO 0.12 0.17 0.59 0.50 -3.33 0.00 0.00 175.10 173.14 2b0f h LYS 57 N 4.00 0.02 -2.33 1.54 3.64 -0.37 -3.48 116.57 119.59 2b0f h LYS 57 Ca -0.48 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 58.80 2b0f h LYS 57 Cb 1.22 0.01 -0.23 0.00 -0.41 0.00 0.00 32.23 32.83 2b0f h LYS 57 CO 0.69 1.02 -0.06 0.34 -2.27 0.00 0.00 179.45 179.17 2b0f s ASP 58 N -6.48 -0.64 -0.55 4.20 -1.08 -1.10 -5.03 116.67 105.99 2b0f s ASP 58 Ca -0.22 1.18 0.04 0.00 -0.52 0.00 0.00 52.55 53.03 2b0f s ASP 58 Cb 0.00 1.16 0.15 0.00 -1.46 0.00 0.00 42.92 42.77 2b0f s ASP 58 CO 0.67 -0.21 0.34 -1.59 0.52 0.00 0.00 175.17 174.91 2b0f s LYS 59 N 0.60 1.85 -0.21 4.34 -2.85 -1.25 -0.95 119.74 121.27 2b0f s LYS 59 Ca -0.02 -2.66 -0.19 0.00 -1.00 0.00 0.00 55.97 52.10 2b0f s LYS 59 Cb -0.05 -2.89 -0.03 0.00 -2.06 0.00 0.00 37.83 32.80 2b0f s LYS 59 CO -0.03 -1.21 0.56 -0.47 0.10 0.00 0.00 175.35 174.29 2b0f s TYR 60 N -0.49 3.35 -0.05 1.78 5.04 -0.92 -4.82 117.35 121.24 2b0f s TYR 60 Ca 0.22 0.80 -0.30 0.00 -2.44 0.00 0.00 57.07 55.35 2b0f s TYR 60 Cb -0.15 -2.72 -0.02 0.00 0.35 0.00 0.00 41.96 39.41 2b0f s TYR 60 CO -0.08 -0.16 1.02 0.15 -1.34 0.00 0.00 175.55 175.14 2b0f s LYS 61 N 1.87 4.47 -0.32 4.97 3.01 -1.26 0.99 119.74 133.47 2b0f s LYS 61 Ca 0.25 1.44 -0.21 0.00 -1.01 0.00 0.00 55.97 56.44 2b0f s LYS 61 Cb -0.16 -3.50 -0.01 0.00 -1.01 0.00 0.00 37.83 33.16 2b0f s LYS 61 CO 0.10 -0.22 0.64 -0.51 0.51 0.00 0.00 175.35 175.87 2b0f s LEU 62 N 1.59 4.16 0.25 3.17 1.43 0.55 -4.93 118.68 124.91 2b0f s LEU 62 Ca 0.51 0.38 0.08 0.00 -1.03 0.00 0.00 54.13 54.07 2b0f s LEU 62 Cb -0.20 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 2b0f s LEU 62 CO 0.23 -0.52 0.07 0.68 0.23 0.00 0.00 176.35 177.04 2b0f s VAL 63 N 2.66 3.84 0.36 -1.59 -7.23 -1.26 -2.39 120.40 114.79 2b0f s VAL 63 Ca 0.26 -1.69 -0.25 0.00 -1.81 0.00 0.00 61.98 58.49 2b0f s VAL 63 Cb -0.15 -3.05 -0.09 0.00 0.56 0.00 0.00 36.38 33.65 2b0f s VAL 63 CO 0.13 -0.34 1.02 -0.62 -0.31 0.00 0.00 175.10 174.97 2b0f s ASP 64 N -3.68 7.00 0.00 4.85 2.15 0.45 -4.65 116.67 122.78 2b0f s ASP 64 Ca 0.32 2.00 0.00 0.00 0.43 0.00 0.00 52.55 55.29 2b0f s ASP 64 Cb -0.07 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 2b0f s ASP 64 CO 0.22 -0.32 0.65 -0.81 -0.17 0.00 0.00 175.17 174.74 2b0f n PRO 65 N 0.26 0.00 -0.78 4.34 -0.04 -1.26 -0.00 135.00 137.51 2b0f n PRO 65 Ca 0.03 0.20 0.08 0.00 -0.04 0.00 0.00 63.50 63.78 2b0f n PRO 65 Cb 0.49 -1.55 0.39 0.00 -0.04 0.00 0.00 33.50 32.79 2b0f n PRO 65 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2b0f n GLU 66 N -1.15 4.41 -0.86 0.54 1.02 -1.26 -4.90 120.64 118.43 2b0f n GLU 66 Ca 0.00 -3.02 0.00 0.00 -0.02 0.00 0.00 57.16 54.12 2b0f n GLU 66 Cb 0.05 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 2b0f n GLU 66 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2b0f n ASN 67 N 0.85 -0.01 -4.90 1.62 5.15 1.00 -5.00 115.26 113.97 2b0f n ASN 67 Ca 0.27 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.96 2b0f n ASN 67 Cb 1.07 -0.69 -0.03 0.00 -0.53 0.00 0.00 39.78 39.60 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 -3.17 4.95 0.49 -1.44 -1.09 -1.22 -4.85 121.20 114.86 2b0f s ILE 68 Ca 0.00 0.21 -0.22 0.00 -2.23 0.00 0.00 60.65 58.41 2b0f s ILE 68 Cb 0.00 -3.74 -0.07 0.00 -1.58 0.00 0.00 42.46 37.07 2b0f s ILE 68 CO 0.00 -0.40 1.21 0.21 -1.23 0.00 0.00 174.94 174.73 2b0f s ASN 69 N -3.22 5.91 -0.04 3.58 2.47 -1.21 0.17 114.94 122.60 2b0f s ASN 69 Ca 0.46 2.41 0.12 0.00 0.42 0.00 0.00 52.86 56.27 2b0f s ASN 69 Cb -0.11 -2.61 -0.18 0.00 -1.45 0.00 0.00 41.25 36.91 2b0f s ASN 69 CO 0.31 -1.11 0.21 -0.11 -3.72 0.00 0.00 177.10 172.68 2b0f n LEU 70 N -0.68 0.00 -0.02 3.21 7.94 -1.01 -1.13 117.00 125.32 2b0f n LEU 70 Ca 0.08 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.98 2b0f n LEU 70 Cb 0.47 0.08 -0.00 0.00 0.53 0.00 0.00 43.42 44.50 2b0f n LEU 70 CO 0.49 0.08 -0.00 1.21 -1.11 0.00 0.00 177.39 178.05 2b0f n GLU 71 N -2.07 -0.10 -3.98 1.96 4.07 -1.02 -4.88 120.64 114.63 2b0f n GLU 71 Ca -0.07 0.12 -0.30 0.00 -0.06 0.00 0.00 57.16 56.85 2b0f n GLU 71 Cb 0.47 -3.28 -0.05 0.00 -0.06 0.00 0.00 31.44 28.53 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 -0.04 4.13 -0.15 4.31 2.01 -1.20 -1.35 118.68 126.40 2b0f s LEU 72 Ca 0.00 0.13 0.00 0.00 0.01 0.00 0.00 54.13 54.27 2b0f s LEU 72 Cb 0.00 -2.75 0.02 0.00 0.01 0.00 0.00 46.19 43.47 2b0f s LEU 72 CO 0.00 0.14 -0.14 -0.89 1.01 0.00 0.00 176.35 176.47 2b0f s THR 73 N -1.53 1.58 -0.67 5.49 2.01 0.20 0.21 115.64 122.91 2b0f s THR 73 Ca 0.33 -0.64 -0.27 0.00 0.31 0.00 0.00 61.69 61.42 2b0f s THR 73 Cb -0.12 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 70.93 2b0f s THR 73 CO 0.26 0.46 1.47 -0.69 -0.69 0.00 0.00 174.62 175.43 2b0f s VAL 74 N 1.45 3.62 -0.82 3.82 1.01 0.28 -2.03 120.40 127.74 2b0f s VAL 74 Ca 0.04 0.39 -0.19 0.00 0.00 0.00 0.00 61.98 62.22 2b0f s VAL 74 Cb -0.13 -4.55 0.12 0.00 0.00 0.00 0.00 36.38 31.82 2b0f s VAL 74 CO -0.10 -1.47 1.00 -0.22 0.00 0.00 0.00 175.10 174.31 2b0f s LEU 75 N 6.78 5.15 -0.46 3.92 2.96 0.14 -2.16 118.68 135.02 2b0f s LEU 75 Ca 0.47 -1.82 -0.24 0.00 -0.22 0.00 0.00 54.13 52.32 2b0f s LEU 75 Cb -0.10 -2.37 0.03 0.00 0.50 0.00 0.00 46.19 44.25 2b0f s LEU 75 CO 0.18 -1.09 0.84 -0.89 -1.32 0.00 0.00 176.35 174.07 2b0f s THR 76 N 2.69 4.57 0.11 3.68 2.01 -0.13 -2.07 115.64 126.51 2b0f s THR 76 Ca 0.26 0.53 0.04 0.00 0.31 0.00 0.00 61.69 62.84 2b0f s THR 76 Cb -0.11 -4.37 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 2b0f s THR 76 CO -0.03 -0.78 0.07 -0.76 -0.69 0.00 0.00 174.62 172.43 2b0f s LEU 77 N 3.49 3.68 -0.64 4.42 1.43 -0.99 0.41 118.68 130.48 2b0f s LEU 77 Ca 0.32 -0.11 -0.27 0.00 -1.03 0.00 0.00 54.13 53.04 2b0f s LEU 77 Cb -0.11 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.77 2b0f s LEU 77 CO 0.24 0.14 1.42 -0.62 0.23 0.00 0.00 176.35 177.76 2b0f s ASP 78 N -2.61 6.03 -0.28 2.29 2.15 -1.26 -4.75 116.67 118.24 2b0f s ASP 78 Ca 0.29 0.01 0.03 0.00 0.43 0.00 0.00 52.55 53.30 2b0f s ASP 78 Cb -0.11 -2.55 0.07 0.00 -0.30 0.00 0.00 42.92 40.03 2b0f s ASP 78 CO 0.21 -1.85 -0.07 -0.13 -0.17 0.00 0.00 175.17 173.17 2b0f s ARG 79 N 5.80 2.13 0.08 4.34 1.81 -1.26 -4.89 118.95 126.96 2b0f s ARG 79 Ca 0.47 -1.44 0.09 0.00 -1.72 0.00 0.00 55.73 53.14 2b0f s ARG 79 Cb -0.10 -2.99 -0.20 0.00 -0.45 0.00 0.00 34.95 31.22 2b0f s ARG 79 CO 0.21 -0.65 1.10 -0.97 -0.68 0.00 0.00 175.30 174.30 2b0f h ASN 80 N 7.77 0.00 -3.76 0.23 -1.24 -1.97 -3.36 115.58 113.25 2b0f h ASN 80 Ca -0.17 0.00 -0.78 0.00 0.71 0.00 0.00 56.30 56.07 2b0f h ASN 80 Cb 1.04 0.00 -0.27 0.00 0.73 0.00 0.00 38.32 39.82 2b0f h ASN 80 CO 0.48 0.96 0.01 -1.83 -1.29 0.00 0.00 177.43 175.76 2b0f s GLU 81 N -2.70 3.42 0.62 6.67 1.03 -1.26 -5.04 118.70 121.45 2b0f s GLU 81 Ca -0.01 -2.38 0.07 0.00 0.03 0.00 0.00 54.97 52.69 2b0f s GLU 81 Cb 0.09 -4.34 0.10 0.00 -0.80 0.00 0.00 34.13 29.18 2b0f s GLU 81 CO 0.82 -1.28 0.86 -1.59 -1.33 0.00 0.00 175.26 172.73 2b0f s LYS 82 N 0.32 2.09 0.50 -4.83 -2.85 -1.26 -5.08 119.74 108.64 2b0f s LYS 82 Ca 0.16 -1.53 0.06 0.00 -1.00 0.00 0.00 55.97 53.65 2b0f s LYS 82 Cb -0.14 -2.56 0.04 0.00 -2.06 0.00 0.00 37.83 33.11 2b0f s LYS 82 CO -0.07 -1.06 0.69 -0.06 0.10 0.00 0.00 175.35 174.95 2b0f s PHE 83 N -2.81 2.52 0.07 1.78 0.08 -0.46 -5.04 117.98 114.12 2b0f s PHE 83 Ca 0.64 -0.33 -0.22 0.00 0.12 0.00 0.00 56.93 57.14 2b0f s PHE 83 Cb -0.05 -2.51 -0.07 0.00 -0.57 0.00 0.00 43.02 39.83 2b0f s PHE 83 CO 0.41 -0.76 0.65 0.50 -0.10 0.00 0.00 175.22 175.92 2b0f s ARG 84 N -4.57 4.35 -0.90 0.44 3.52 -1.26 -3.87 118.95 116.65 2b0f s ARG 84 Ca 0.58 0.87 -0.24 0.00 -0.13 0.00 0.00 55.73 56.80 2b0f s ARG 84 Cb -0.09 -3.28 -0.00 0.00 -1.56 0.00 0.00 34.95 30.02 2b0f s ARG 84 CO 0.36 0.52 1.69 0.16 -0.81 0.00 0.00 175.30 177.23 2b0f s ASP 85 N -0.79 5.74 -0.11 -2.12 -4.77 -1.25 -4.47 116.67 108.91 2b0f s ASP 85 Ca 0.32 -0.82 0.05 0.00 -3.30 0.00 0.00 52.55 48.80 2b0f s ASP 85 Cb -0.20 -2.56 0.33 0.00 -1.09 0.00 0.00 42.92 39.40 2b0f s ASP 85 CO 0.21 -2.17 1.05 2.30 0.70 0.00 0.00 175.17 177.26 2b0f n ILE 86 N 7.30 1.21 0.11 2.11 -5.35 0.25 -4.26 119.36 120.73 2b0f n ILE 86 Ca 0.32 -0.59 0.13 0.00 -0.27 0.00 0.00 62.75 62.34 2b0f n ILE 86 Cb 0.49 -0.45 0.65 0.00 -1.74 0.00 0.00 39.64 38.59 2b0f n ILE 86 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2b0f h ARG 87 N 1.52 0.05 0.00 6.28 2.43 -1.85 0.11 114.38 122.91 2b0f h ARG 87 Ca 0.03 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2b0f h ARG 87 Cb 1.18 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2b0f h ARG 87 CO 0.23 0.03 -0.01 0.78 -1.51 0.00 0.00 179.97 179.48 2b0f h GLY 88 N 0.05 0.00 0.49 2.80 0.00 -1.94 -2.30 103.07 102.17 2b0f h GLY 88 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2b0f h GLY 88 CO -0.01 0.00 -0.58 0.69 0.00 0.00 0.00 176.54 176.64 2b0f n PHE 89 N -3.11 0.00 -2.58 5.60 3.72 0.35 -4.86 117.46 116.58 2b0f n PHE 89 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 2b0f n PHE 89 Cb 0.32 -0.15 -0.04 0.00 -0.94 0.00 0.00 39.48 38.67 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 -2.88 4.16 -0.41 4.37 -1.09 -0.87 0.62 121.20 125.10 2b0f s ILE 90 Ca 0.13 1.76 -0.28 0.00 -2.23 0.00 0.00 60.65 60.03 2b0f s ILE 90 Cb 0.17 -4.12 0.02 0.00 -1.58 0.00 0.00 42.46 36.95 2b0f s ILE 90 CO 0.70 0.25 1.05 -0.44 -1.23 0.00 0.00 174.94 175.28 2b0f s SER 91 N 0.20 6.72 0.27 3.58 0.01 -1.00 -4.46 113.70 119.02 2b0f s SER 91 Ca 0.50 0.63 0.14 0.00 1.31 0.00 0.00 55.95 58.53 2b0f s SER 91 Cb -0.27 -2.52 0.20 0.00 0.21 0.00 0.00 66.02 63.64 2b0f s SER 91 CO 0.32 -1.04 1.50 1.05 0.41 0.00 0.00 173.24 175.49 2b0f h GLU 92 N 8.71 0.00 -3.29 12.44 4.11 -1.91 -1.88 114.58 132.76 2b0f h GLU 92 Ca -0.22 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.97 2b0f h GLU 92 Cb 1.07 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.01 2b0f h GLU 92 CO 1.06 0.60 -0.60 0.34 0.07 0.00 0.00 179.01 180.48 2b0f s ASP 93 N -6.55 -0.11 0.00 3.06 2.15 -1.26 -4.76 116.67 109.20 2b0f s ASP 93 Ca 0.02 0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.28 2b0f s ASP 93 Cb 0.10 0.19 0.00 0.00 -0.30 0.00 0.00 42.92 42.91 2b0f s ASP 93 CO 0.75 -0.13 0.12 0.18 -0.17 0.00 0.00 175.17 175.92 2b0f n LEU 94 N 4.00 2.05 -3.58 -1.34 4.77 -1.26 -4.97 117.00 116.67 2b0f n LEU 94 Ca -0.24 0.12 -0.20 0.00 -0.03 0.00 0.00 56.01 55.66 2b0f n LEU 94 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2b0f n LEU 94 CO 0.19 0.00 -0.11 1.21 -1.33 0.00 0.00 177.39 177.34 2b0f n GLU 95 N -0.46 -1.57 -2.76 3.23 4.07 -1.26 -4.97 120.64 116.92 2b0f n GLU 95 Ca 0.00 1.03 -0.04 0.00 -0.06 0.00 0.00 57.16 58.09 2b0f n GLU 95 Cb 0.00 -3.12 0.01 0.00 -0.06 0.00 0.00 31.44 28.27 2b0f n GLU 95 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2b0f s GLY 96 N -2.82 -1.35 0.00 8.31 0.00 -1.26 -5.02 107.32 105.18 2b0f s GLY 96 Ca 0.05 -0.25 0.01 0.00 0.00 0.00 0.00 44.72 44.53 2b0f s GLY 96 CO 0.86 3.75 0.58 1.55 0.00 0.00 0.00 173.10 179.84 2b0f n VAL 97 N 2.95 0.00 -3.77 1.40 3.14 -1.26 -4.46 118.33 116.32 2b0f n VAL 97 Ca 0.17 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.36 2b0f n VAL 97 Cb 0.57 -0.28 -0.17 0.00 -1.06 0.00 0.00 33.84 32.90 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 -1.52 0.81 0.04 6.55 2.15 -1.24 -2.77 116.67 120.69 2b0f s ASP 98 Ca 0.02 0.02 -0.00 0.00 0.43 0.00 0.00 52.55 53.02 2b0f s ASP 98 Cb 0.01 -0.19 -0.03 0.00 -0.30 0.00 0.00 42.92 42.40 2b0f s ASP 98 CO 0.01 -0.18 -0.04 0.00 -0.17 0.00 0.00 175.17 174.80 2b0f s ALA 99 N 1.63 0.40 -0.03 3.66 0.00 -0.77 -4.84 121.76 121.80 2b0f s ALA 99 Ca -0.02 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 50.99 2b0f s ALA 99 Cb -0.13 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 2b0f s ALA 99 CO -0.03 -0.26 -0.00 0.99 0.00 0.00 0.00 175.76 176.46 2b0f s THR 100 N -2.80 4.17 -0.27 0.00 2.01 0.17 -1.80 115.64 117.12 2b0f s THR 100 Ca -0.03 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 2b0f s THR 100 Cb -0.00 -2.82 0.04 0.00 0.01 0.00 0.00 72.50 69.73 2b0f s THR 100 CO -0.06 0.45 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.07 2b0f s LEU 101 N -1.33 3.56 -0.60 4.42 2.96 0.39 -0.03 118.68 128.06 2b0f s LEU 101 Ca 0.17 -1.14 -0.19 0.00 -0.22 0.00 0.00 54.13 52.76 2b0f s LEU 101 Cb -0.11 -1.67 0.11 0.00 0.50 0.00 0.00 46.19 45.02 2b0f s LEU 101 CO 0.08 -0.20 0.70 -0.69 -1.32 0.00 0.00 176.35 174.91 2b0f s VAL 102 N 1.26 4.87 -0.22 1.68 1.01 0.74 -0.49 120.40 129.24 2b0f s VAL 102 Ca -0.04 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 60.66 2b0f s VAL 102 Cb -0.19 -4.48 -0.03 0.00 0.00 0.00 0.00 36.38 31.68 2b0f s VAL 102 CO -0.03 -1.11 0.55 -0.69 0.00 0.00 0.00 175.10 173.82 2b0f s VAL 103 N 2.53 5.07 -0.40 2.92 1.01 0.08 -0.14 120.40 131.47 2b0f s VAL 103 Ca 0.11 1.01 0.12 0.00 0.00 0.00 0.00 61.98 63.22 2b0f s VAL 103 Cb -0.24 -3.87 0.38 0.00 0.00 0.00 0.00 36.38 32.65 2b0f s VAL 103 CO 0.05 0.13 0.84 1.57 0.00 0.00 0.00 175.10 177.69 2b0f n HIS 104 N 5.10 1.25 -3.39 5.22 -0.00 -1.10 -0.67 115.22 121.62 2b0f n HIS 104 Ca -0.03 -3.57 0.00 0.00 0.46 0.00 0.00 57.72 54.58 2b0f n HIS 104 Cb 0.50 -0.40 0.00 0.00 -0.12 0.00 0.00 29.99 29.97 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 0.07 1.84 -0.13 0.26 7.64 0.24 -2.77 113.62 120.76 2b0f n SER 105 Ca 0.23 -0.39 -0.10 0.00 1.01 0.00 0.00 58.87 59.62 2b0f n SER 105 Cb 0.65 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.84 2b0f n SER 105 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2b0f h ASN 106 N 0.00 0.59 0.43 6.43 -0.73 -0.82 -3.14 115.58 118.35 2b0f h ASN 106 Ca 0.00 -0.25 -0.02 0.00 1.87 0.00 0.00 56.30 57.90 2b0f h ASN 106 Cb 0.00 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.44 2b0f h ASN 106 CO 0.00 0.70 -0.21 -1.13 -0.37 0.00 0.00 177.43 176.42 2b0f h ASN 107 N 0.47 -0.49 -3.71 1.15 -0.73 -0.71 -3.42 115.58 108.15 2b0f h ASN 107 Ca 0.12 0.02 -0.69 0.00 1.87 0.00 0.00 56.30 57.61 2b0f h ASN 107 Cb 0.35 0.13 -0.32 0.00 0.27 0.00 0.00 38.32 38.75 2b0f h ASN 107 CO 0.01 -0.10 -0.66 -0.36 -0.37 0.00 0.00 177.43 175.95 2b0f s PHE 108 N -3.45 3.31 -0.64 0.67 0.08 -1.25 -5.04 117.98 111.65 2b0f s PHE 108 Ca -0.08 -1.82 -0.17 0.00 0.12 0.00 0.00 56.93 54.97 2b0f s PHE 108 Cb 0.01 -2.30 0.13 0.00 -0.57 0.00 0.00 43.02 40.28 2b0f s PHE 108 CO 0.25 -0.81 0.70 0.99 -0.10 0.00 0.00 175.22 176.25 2b0f s THR 109 N 1.28 5.04 -0.19 0.64 2.01 -1.19 -0.59 115.64 122.63 2b0f s THR 109 Ca -0.02 -1.40 -0.01 0.00 0.31 0.00 0.00 61.69 60.56 2b0f s THR 109 Cb -0.20 -4.47 0.00 0.00 0.01 0.00 0.00 72.50 67.84 2b0f s THR 109 CO -0.00 -1.08 0.19 -3.20 -0.69 0.00 0.00 174.62 169.84 2b0f n ASN 110 N 5.70 -3.62 -3.68 3.53 5.15 -0.14 -4.94 115.26 117.27 2b0f n ASN 110 Ca -0.04 0.01 -0.16 0.00 -0.60 0.00 0.00 54.58 53.79 2b0f n ASN 110 Cb 0.43 -2.21 -0.15 0.00 -0.53 0.00 0.00 39.78 37.32 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 -2.71 -0.23 -0.33 -0.44 2.01 0.15 -5.01 115.64 109.07 2b0f s THR 111 Ca 0.01 0.33 -0.15 0.00 0.31 0.00 0.00 61.69 62.19 2b0f s THR 111 Cb -0.00 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 2b0f s THR 111 CO 0.21 0.14 0.34 -0.63 -0.69 0.00 0.00 174.62 173.99 2b0f s ILE 112 N 2.13 5.18 0.23 1.82 1.01 -1.26 -0.74 121.20 129.58 2b0f s ILE 112 Ca 0.01 0.06 0.11 0.00 0.00 0.00 0.00 60.65 60.83 2b0f s ILE 112 Cb -0.12 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 2b0f s ILE 112 CO -0.06 -0.06 -0.21 -0.76 0.00 0.00 0.00 174.94 173.86 2b0f s LEU 113 N 1.98 2.52 -0.08 2.97 1.02 0.35 -4.97 118.68 122.47 2b0f s LEU 113 Ca 0.11 -0.96 -0.02 0.00 0.02 0.00 0.00 54.13 53.29 2b0f s LEU 113 Cb -0.17 -1.05 -0.03 0.00 0.02 0.00 0.00 46.19 44.96 2b0f s LEU 113 CO 0.11 0.04 0.00 -1.61 0.02 0.00 0.00 176.35 174.92 2b0f s GLU 114 N -3.16 2.98 -0.07 1.70 2.02 -1.26 0.15 118.70 121.06 2b0f s GLU 114 Ca 0.25 -0.41 0.14 0.00 0.02 0.00 0.00 54.97 54.97 2b0f s GLU 114 Cb -0.06 -2.79 -0.21 0.00 0.10 0.00 0.00 34.13 31.17 2b0f s GLU 114 CO 0.12 0.70 0.22 1.33 0.02 0.00 0.00 175.26 177.65 2b0f n VAL 115 N 2.13 0.38 0.00 2.63 0.24 -0.75 -4.88 118.33 118.08 2b0f n VAL 115 Ca -0.19 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 2b0f n VAL 115 Cb 0.54 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 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 1.83 1.07 3.62 7.63 0.00 -1.11 -4.84 105.19 113.39 2b0f n GLY 116 Ca -0.11 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 2b0f n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2b0f s PRO 117 N 0.00 3.67 0.30 1.61 0.04 -1.19 -1.85 135.00 137.59 2b0f s PRO 117 Ca 0.00 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 62.76 2b0f s PRO 117 Cb 0.00 -4.11 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 2b0f s PRO 117 CO 0.00 -1.45 0.52 0.14 0.04 0.00 0.00 177.00 176.25 2b0f s VAL 118 N 5.76 5.09 0.07 -0.36 -7.23 -1.12 -4.62 120.40 118.00 2b0f s VAL 118 Ca 0.77 -0.25 -0.07 0.00 -1.81 0.00 0.00 61.98 60.63 2b0f s VAL 118 Cb -0.27 -3.79 -0.01 0.00 0.56 0.00 0.00 36.38 32.87 2b0f s VAL 118 CO 0.32 -0.41 0.14 -0.89 -0.31 0.00 0.00 175.10 173.95 2b0f s THR 119 N -2.16 0.15 -0.05 5.32 2.01 0.23 -4.88 115.64 116.27 2b0f s THR 119 Ca 0.41 -1.23 0.03 0.00 0.31 0.00 0.00 61.69 61.21 2b0f s THR 119 Cb -0.10 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 2b0f s THR 119 CO 0.33 -0.68 -0.12 0.00 -0.69 0.00 0.00 174.62 173.45 2b0f s MET 120 N -3.56 2.55 -0.15 4.92 0.23 -1.26 0.20 119.30 122.23 2b0f s MET 120 Ca 0.03 -0.66 0.16 0.00 -1.03 0.00 0.00 55.69 54.18 2b0f s MET 120 Cb 0.04 -2.43 -0.23 0.00 -1.53 0.00 0.00 34.83 30.69 2b0f s MET 120 CO -0.09 0.63 0.12 0.00 -2.03 0.00 0.00 175.02 173.65 2b0f n ALA 121 N 2.26 1.76 0.00 3.16 0.00 -0.36 -4.82 120.51 122.51 2b0f n ALA 121 Ca -0.17 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.24 2b0f n ALA 121 Cb 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2b0f n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b0f n GLY 122 N 1.86 0.81 3.28 0.00 0.00 -1.24 -4.86 105.19 105.04 2b0f n GLY 122 Ca -0.24 -1.19 -0.36 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 3.71 0.37 0.99 0.20 -1.26 -1.86 118.68 120.83 2b0f s LEU 123 Ca 0.00 -0.86 0.04 0.00 0.69 0.00 0.00 54.13 54.00 2b0f s LEU 123 Cb 0.00 -1.80 -0.03 0.00 -0.43 0.00 0.00 46.19 43.93 2b0f s LEU 123 CO 0.00 -0.19 0.15 0.27 -0.29 0.00 0.00 176.35 176.28 2b0f s ILE 124 N 1.42 0.50 -0.54 6.68 -4.36 -0.69 -4.95 121.20 119.25 2b0f s ILE 124 Ca 0.01 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.21 2b0f s ILE 124 Cb -0.18 -2.43 0.08 0.00 1.25 0.00 0.00 42.46 41.18 2b0f s ILE 124 CO 0.00 0.00 0.65 0.20 0.24 0.00 0.00 174.94 176.04 2b0f s ASN 125 N -3.51 6.20 -0.59 4.36 0.01 -1.26 -0.30 114.94 119.85 2b0f s ASN 125 Ca 0.29 -1.17 -0.26 0.00 -0.71 0.00 0.00 52.86 51.02 2b0f s ASN 125 Cb 0.03 -2.29 0.04 0.00 0.41 0.00 0.00 41.25 39.44 2b0f s ASN 125 CO 0.17 -0.99 1.06 -0.22 -1.51 0.00 0.00 177.10 175.61 2b0f s LEU 126 N 2.62 3.82 -1.46 0.60 2.96 0.78 -3.58 118.68 124.42 2b0f s LEU 126 Ca 0.13 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 2b0f s LEU 126 Cb -0.22 -2.89 0.00 0.00 0.50 0.00 0.00 46.19 43.59 2b0f s LEU 126 CO 0.09 -1.39 0.10 -1.20 -1.32 0.00 0.00 176.35 172.64 2b0f n SER 127 N 7.99 -5.19 0.00 3.68 7.64 -1.26 -1.06 113.62 125.41 2b0f n SER 127 Ca 0.04 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2b0f n SER 127 Cb 0.48 -4.22 0.00 0.00 -1.01 0.00 0.00 64.21 59.46 2b0f n SER 127 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2b0f n SER 128 N -1.44 -0.16 -4.37 6.43 7.64 -1.23 -5.01 113.62 115.47 2b0f n SER 128 Ca -0.19 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.33 2b0f n SER 128 Cb 0.65 -0.03 -0.13 0.00 -1.01 0.00 0.00 64.21 63.69 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 -3.75 3.93 -0.17 0.44 2.01 -0.23 -4.97 115.64 112.90 2b0f s THR 129 Ca 0.00 -0.50 -0.37 0.00 0.31 0.00 0.00 61.69 61.14 2b0f s THR 129 Cb 0.00 -2.92 -0.13 0.00 0.01 0.00 0.00 72.50 69.46 2b0f s THR 129 CO 0.00 0.23 1.84 -2.65 -0.69 0.00 0.00 174.62 173.35 2b0f n PRO 130 N 4.87 1.77 -4.37 4.92 -0.02 -1.26 -0.16 135.00 140.75 2b0f n PRO 130 Ca -0.16 0.65 -0.21 0.00 -2.02 0.00 0.00 63.50 61.76 2b0f n PRO 130 Cb 0.50 -2.43 -0.16 0.00 -0.02 0.00 0.00 33.50 31.39 2b0f n PRO 130 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2b0f s THR 131 N 3.93 0.77 0.27 3.45 2.01 0.59 -3.31 115.64 123.35 2b0f s THR 131 Ca 0.95 -0.33 0.07 0.00 0.31 0.00 0.00 61.69 62.69 2b0f s THR 131 Cb -0.84 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 2b0f s THR 131 CO 0.57 0.25 0.26 0.21 -0.69 0.00 0.00 174.62 175.22 2b0f s ASN 132 N 0.37 5.65 -0.71 3.53 2.47 -0.28 -1.70 114.94 124.27 2b0f s ASN 132 Ca -0.06 -0.23 -0.03 0.00 0.42 0.00 0.00 52.86 52.96 2b0f s ASN 132 Cb -0.10 -1.40 0.00 0.00 -1.45 0.00 0.00 41.25 38.30 2b0f s ASN 132 CO 0.01 -0.12 0.61 0.54 -3.72 0.00 0.00 177.10 174.42 2b0f n ARG 133 N -1.28 -4.09 -3.13 0.43 3.00 -0.78 -4.69 116.66 106.12 2b0f n ARG 133 Ca -0.07 0.46 -0.41 0.00 -0.01 0.00 0.00 57.85 57.82 2b0f n ARG 133 Cb 0.58 -4.34 -0.07 0.00 0.00 0.00 0.00 32.46 28.63 2b0f n ARG 133 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2b0f s MET 134 N -5.37 3.81 -0.04 5.56 -1.94 -1.02 -0.74 119.30 119.56 2b0f s MET 134 Ca 0.21 0.17 -0.25 0.00 -1.71 0.00 0.00 55.69 54.11 2b0f s MET 134 Cb -0.09 -3.76 -0.04 0.00 2.01 0.00 0.00 34.83 32.95 2b0f s MET 134 CO 0.40 -0.62 0.75 0.42 -0.01 0.00 0.00 175.02 175.95 2b0f s ILE 135 N 2.61 4.98 -0.10 2.53 1.01 0.20 -1.22 121.20 131.20 2b0f s ILE 135 Ca 0.24 1.55 -0.00 0.00 0.00 0.00 0.00 60.65 62.44 2b0f s ILE 135 Cb -0.15 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 2b0f s ILE 135 CO 0.13 0.26 -0.07 -0.60 0.00 0.00 0.00 174.94 174.65 2b0f s ARG 136 N 0.71 3.06 -0.20 2.79 3.52 0.52 -1.62 118.95 127.74 2b0f s ARG 136 Ca 0.40 -0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 55.39 2b0f s ARG 136 Cb -0.19 -2.67 0.10 0.00 -1.56 0.00 0.00 34.95 30.64 2b0f s ARG 136 CO 0.20 0.49 0.31 1.52 -0.81 0.00 0.00 175.30 177.01 2b0f s TYR 137 N -0.35 -0.56 -0.73 5.12 1.13 -0.89 0.76 117.35 121.83 2b0f s TYR 137 Ca 0.05 0.76 -0.26 0.00 -1.41 0.00 0.00 57.07 56.21 2b0f s TYR 137 Cb -0.12 -0.08 0.00 0.00 -1.10 0.00 0.00 41.96 40.66 2b0f s TYR 137 CO 0.02 -0.57 1.61 0.16 -2.51 0.00 0.00 175.55 174.27 2b0f s ASP 138 N 2.46 5.71 -0.12 -0.18 -4.77 -1.26 -0.27 116.67 118.23 2b0f s ASP 138 Ca 0.07 -0.24 -0.11 0.00 -3.30 0.00 0.00 52.55 48.97 2b0f s ASP 138 Cb -0.14 -2.55 0.03 0.00 -1.09 0.00 0.00 42.92 39.17 2b0f s ASP 138 CO -0.13 -2.13 0.33 -0.47 0.70 0.00 0.00 175.17 173.47 2b0f s TYR 139 N 7.55 -0.36 -0.88 2.11 5.04 0.57 -4.95 117.35 126.42 2b0f s TYR 139 Ca 0.53 0.88 -0.25 0.00 -2.44 0.00 0.00 57.07 55.80 2b0f s TYR 139 Cb -0.09 0.12 -0.04 0.00 0.35 0.00 0.00 41.96 42.30 2b0f s TYR 139 CO 0.13 -0.18 1.94 0.00 -1.34 0.00 0.00 175.55 176.10 2b0f s ALA 140 N 0.26 1.70 0.23 3.97 0.00 -1.26 -3.82 121.76 122.84 2b0f s ALA 140 Ca -0.01 -1.46 0.07 0.00 0.00 0.00 0.00 51.96 50.56 2b0f s ALA 140 Cb -0.03 -4.54 -0.04 0.00 0.00 0.00 0.00 23.12 18.52 2b0f s ALA 140 CO -0.00 -4.75 0.17 0.95 0.00 0.00 0.00 175.76 172.13 2b0f s THR 141 N 9.97 4.41 0.06 0.00 -4.23 -1.26 -5.09 115.64 119.50 2b0f s THR 141 Ca 0.70 -1.34 -0.00 0.00 -1.18 0.00 0.00 61.69 59.86 2b0f s THR 141 Cb -0.07 -3.34 -0.04 0.00 1.34 0.00 0.00 72.50 70.39 2b0f s THR 141 CO 0.01 -0.28 -0.04 -0.54 -0.54 0.00 0.00 174.62 173.23 2b0f s LYS 142 N -3.62 0.64 0.93 3.99 1.02 -1.26 -4.89 119.74 116.55 2b0f s LYS 142 Ca 0.32 -1.22 -0.16 0.00 0.02 0.00 0.00 55.97 54.93 2b0f s LYS 142 Cb -0.08 0.13 -0.09 0.00 -0.52 0.00 0.00 37.83 37.27 2b0f s LYS 142 CO 0.24 -0.09 -0.33 2.41 -0.92 0.00 0.00 175.35 176.66 2b0f n THR 143 N 0.14 0.12 0.00 2.17 -1.04 -1.26 -2.63 114.28 111.77 2b0f n THR 143 Ca -0.14 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 2b0f n THR 143 Cb 0.61 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 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 2.74 2.82 0.94 3.41 0.00 -1.26 -4.79 105.19 109.04 2b0f n GLY 144 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 2.19 -1.83 1.61 6.02 -1.08 0.03 117.38 122.32 2b0f n GLN 145 Ca 0.00 -1.84 -0.42 0.00 -0.01 0.00 0.00 57.00 54.73 2b0f n GLN 145 Cb 0.00 -1.42 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 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 4.25 2.16 3.60 0.00 0.00 0.98 -4.35 105.19 111.82 2b0f n GLY 147 Ca 0.18 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.13 0.51 3.61 -0.02 0.00 -1.02 -4.42 105.19 103.72 2b0f n GLY 148 Ca 0.00 0.69 -0.42 0.00 0.00 0.00 0.00 46.02 46.29 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 0.49 4.67 -0.48 1.61 1.01 0.80 0.18 120.40 128.68 2b0f s VAL 149 Ca 0.83 1.21 -0.23 0.00 0.00 0.00 0.00 61.98 63.79 2b0f s VAL 149 Cb -0.92 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 31.23 2b0f s VAL 149 CO 0.46 -0.42 0.80 -0.22 0.00 0.00 0.00 175.10 175.72 2b0f s LEU 150 N 3.26 4.31 0.32 3.92 2.96 0.78 -0.19 118.68 134.05 2b0f s LEU 150 Ca 0.36 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.97 2b0f s LEU 150 Cb -0.13 -2.86 -0.00 0.00 0.50 0.00 0.00 46.19 43.70 2b0f s LEU 150 CO 0.16 -0.98 0.44 0.00 -1.32 0.00 0.00 176.35 174.65 2b0f s ALA 152 N -3.25 0.18 -0.31 0.00 0.00 0.14 0.45 121.76 118.96 2b0f s ALA 152 Ca 0.31 -1.15 -0.28 0.00 0.00 0.00 0.00 51.96 50.84 2b0f s ALA 152 Cb 0.00 1.11 -0.03 0.00 0.00 0.00 0.00 23.12 24.19 2b0f s ALA 152 CO 0.19 -0.82 2.01 0.99 0.00 0.00 0.00 175.76 178.13 2b0f s THR 153 N -3.64 3.26 0.00 0.00 2.01 -1.26 -1.81 115.64 114.19 2b0f s THR 153 Ca 0.26 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.51 2b0f s THR 153 Cb -0.00 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.14 2b0f s THR 153 CO 0.13 -0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.42 2b0f n GLY 154 N 5.61 0.22 3.47 4.40 0.00 -1.26 -5.04 105.19 112.59 2b0f n GLY 154 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 2b0f n GLY 154 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b0f s LYS 155 N -0.96 0.64 -0.19 1.61 -2.85 -0.75 -4.59 119.74 112.64 2b0f s LYS 155 Ca 0.00 0.85 -0.06 0.00 -1.00 0.00 0.00 55.97 55.77 2b0f s LYS 155 Cb 0.00 0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 35.99 2b0f s LYS 155 CO 0.00 -0.10 0.02 0.42 0.10 0.00 0.00 175.35 175.79 2b0f s ILE 156 N 0.63 4.21 -0.04 3.79 1.01 0.20 0.26 121.20 131.27 2b0f s ILE 156 Ca -0.03 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.42 2b0f s ILE 156 Cb -0.05 -2.90 -0.25 0.00 0.01 0.00 0.00 42.46 39.27 2b0f s ILE 156 CO -0.04 0.44 0.67 -0.26 0.00 0.00 0.00 174.94 175.75 2b0f h PHE 157 N 7.18 0.26 0.00 3.97 -1.00 -0.87 -2.65 116.94 123.83 2b0f h PHE 157 Ca -0.35 -0.19 0.00 0.00 2.81 0.00 0.00 57.97 60.24 2b0f h PHE 157 Cb 1.18 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.73 2b0f h PHE 157 CO 0.58 1.32 0.00 0.41 -1.61 0.00 0.00 178.31 179.01 2b0f n GLY 158 N 1.70 -0.49 3.18 -1.45 0.00 -1.01 -0.51 105.19 106.60 2b0f n GLY 158 Ca -0.20 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.09 1.18 0.02 -0.61 -4.36 -1.13 -0.15 121.20 113.06 2b0f s ILE 159 Ca 0.00 -1.32 -0.30 0.00 -0.26 0.00 0.00 60.65 58.77 2b0f s ILE 159 Cb 0.00 -1.13 -0.08 0.00 1.25 0.00 0.00 42.46 42.50 2b0f s ILE 159 CO 0.00 -0.19 1.89 -2.28 0.24 0.00 0.00 174.94 174.60 2b0f s HIS 160 N -1.24 1.48 -0.04 1.37 5.65 0.47 -0.91 115.29 122.07 2b0f s HIS 160 Ca -0.01 -0.30 0.05 0.00 0.25 0.00 0.00 55.06 55.06 2b0f s HIS 160 Cb -0.10 -4.17 -0.08 0.00 -1.18 0.00 0.00 32.58 27.06 2b0f s HIS 160 CO 0.02 -5.16 0.05 0.28 -0.65 0.00 0.00 174.74 169.29 2b0f n VAL 161 N 5.50 0.26 -1.62 0.89 0.31 -0.56 -0.02 118.33 123.09 2b0f n VAL 161 Ca 0.19 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2b0f n VAL 161 Cb 0.41 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 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 2.50 1.56 0.00 2.92 0.00 0.52 -4.88 105.19 107.81 2b0f n GLY 162 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2b0f n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b0f n GLY 163 N 0.00 1.22 3.08 -0.02 0.00 -1.26 0.08 105.19 108.29 2b0f n GLY 163 Ca 0.00 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 2b0f n GLY 163 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2b0f s ASN 164 N 0.00 4.72 0.84 1.61 3.84 0.91 -4.87 114.94 121.99 2b0f s ASN 164 Ca 0.00 -1.69 0.00 0.00 0.21 0.00 0.00 52.86 51.38 2b0f s ASN 164 Cb 0.00 -1.64 0.00 0.00 -0.55 0.00 0.00 41.25 39.06 2b0f s ASN 164 CO 0.00 -0.30 0.00 0.61 -2.79 0.00 0.00 177.10 174.62 2b0f n GLY 165 N 4.43 1.22 0.10 1.21 0.00 -1.26 -1.52 105.19 109.37 2b0f n GLY 165 Ca -0.07 0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 1.32 -3.82 1.61 5.12 -1.26 -4.71 116.66 114.92 2b0f n ARG 166 Ca 0.00 -2.34 -0.36 0.00 -1.93 0.00 0.00 57.85 53.21 2b0f n ARG 166 Cb 0.00 -1.37 -0.13 0.00 -1.16 0.00 0.00 32.46 29.80 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 -2.46 2.49 0.46 5.56 1.11 -0.57 -0.32 119.66 125.93 2b0f s GLN 167 Ca 0.26 -1.27 -0.23 0.00 0.01 0.00 0.00 55.36 54.13 2b0f s GLN 167 Cb 0.23 -3.36 -0.08 0.00 -1.01 0.00 0.00 33.01 28.79 2b0f s GLN 167 CO 0.02 -0.69 1.13 0.20 0.01 0.00 0.00 175.29 175.97 2b0f s GLY 168 N 1.40 2.74 -0.13 3.09 0.00 0.63 -0.06 107.32 114.98 2b0f s GLY 168 Ca -0.02 0.86 -0.00 0.00 0.00 0.00 0.00 44.72 45.55 2b0f s GLY 168 CO 0.01 1.29 -0.10 -1.36 0.00 0.00 0.00 173.10 172.94 2b0f s PHE 169 N -1.62 1.78 0.20 1.90 0.08 0.11 -2.10 117.98 118.32 2b0f s PHE 169 Ca 0.64 -0.97 0.08 0.00 0.12 0.00 0.00 56.93 56.80 2b0f s PHE 169 Cb -0.26 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 2b0f s PHE 169 CO 0.32 -0.59 0.02 -1.12 -0.10 0.00 0.00 175.22 173.75 2b0f s SER 170 N 1.61 4.82 -0.09 1.36 0.01 -0.64 -0.36 113.70 120.42 2b0f s SER 170 Ca 0.04 -0.42 -0.18 0.00 1.31 0.00 0.00 55.95 56.71 2b0f s SER 170 Cb -0.13 -1.04 -0.05 0.00 0.21 0.00 0.00 66.02 65.02 2b0f s SER 170 CO -0.09 0.06 0.47 0.00 0.41 0.00 0.00 173.24 174.09 2b0f s ALA 171 N -1.86 3.51 -0.49 1.44 0.00 -0.09 0.60 121.76 124.86 2b0f s ALA 171 Ca 0.29 -0.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.78 2b0f s ALA 171 Cb -0.09 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.42 2b0f s ALA 171 CO 0.19 0.09 1.69 -1.14 0.00 0.00 0.00 175.76 176.60 2b0f s GLN 172 N 0.30 3.09 -0.91 0.00 0.74 0.08 -2.86 119.66 120.11 2b0f s GLN 172 Ca 0.25 0.85 -0.20 0.00 0.05 0.00 0.00 55.36 56.32 2b0f s GLN 172 Cb -0.15 -4.23 0.11 0.00 1.10 0.00 0.00 33.01 29.84 2b0f s GLN 172 CO 0.11 -2.16 1.15 -0.51 -0.55 0.00 0.00 175.29 173.33 2b0f s LEU 173 N 7.34 4.75 -0.07 3.68 1.43 0.33 -4.96 118.68 131.18 2b0f s LEU 173 Ca 0.67 -1.83 -0.30 0.00 -1.03 0.00 0.00 54.13 51.64 2b0f s LEU 173 Cb -0.15 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 2b0f s LEU 173 CO 0.27 -1.17 1.01 -0.54 0.23 0.00 0.00 176.35 176.14 2b0f s LYS 174 N 3.18 4.46 0.46 1.70 1.02 -1.26 -4.04 119.74 125.27 2b0f s LYS 174 Ca 0.33 1.42 0.33 0.00 0.02 0.00 0.00 55.97 58.07 2b0f s LYS 174 Cb -0.06 -3.51 1.47 0.00 -0.52 0.00 0.00 37.83 35.21 2b0f s LYS 174 CO -0.07 -0.23 1.63 -0.22 -0.92 0.00 0.00 175.35 175.53 2b0f h LYS 175 N 7.01 0.07 -0.97 1.68 3.64 -1.55 -0.89 116.57 125.56 2b0f h LYS 175 Ca -0.35 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.18 2b0f h LYS 175 Cb 1.17 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.89 2b0f h LYS 175 CO 0.82 0.05 0.61 1.96 -2.27 0.00 0.00 179.45 180.62 2b0f h GLN 176 N 0.07 0.80 0.00 1.90 4.20 -1.91 -0.85 115.11 119.33 2b0f h GLN 176 Ca 0.82 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.48 2b0f h GLN 176 Cb 2.71 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 30.31 2b0f h GLN 176 CO -0.34 0.53 0.00 0.66 -0.67 0.00 0.00 178.83 179.01 2b0f n TYR 177 N -4.63 0.58 -0.09 2.96 4.01 -0.34 -2.60 117.16 117.06 2b0f n TYR 177 Ca 0.20 0.25 -0.14 0.00 -0.16 0.00 0.00 57.90 58.05 2b0f n TYR 177 Cb 0.46 -0.90 -0.14 0.00 -0.31 0.00 0.00 39.34 38.45 2b0f n TYR 177 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2b0f n PHE 178 N -2.05 0.25 0.84 -0.72 3.72 -0.35 -4.07 117.46 115.08 2b0f n PHE 178 Ca 0.02 0.07 0.07 0.00 -0.05 0.00 0.00 57.45 57.56 2b0f n PHE 178 Cb 0.17 -1.04 0.41 0.00 -0.94 0.00 0.00 39.48 38.07 2b0f n PHE 178 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2b0f n VAL 179 N -3.03 0.20 0.21 -4.37 0.31 -1.04 -1.90 118.33 108.71 2b0f n VAL 179 Ca -0.35 0.05 0.06 0.00 -0.01 0.00 0.00 64.34 64.09 2b0f n VAL 179 Cb 1.08 -0.82 0.44 0.00 -0.91 0.00 0.00 33.84 33.63 2b0f n VAL 179 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2b0f h GLU 180 N 0.00 0.00 -5.52 5.55 4.39 -1.69 -3.41 114.58 113.91 2b0f h GLU 180 Ca 0.00 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.05 2b0f h GLU 180 Cb 0.04 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 28.50 2b0f h GLU 180 CO 0.00 0.31 -0.64 0.15 -1.16 0.00 0.00 179.01 177.67 2b0f s LYS 181 N -3.99 3.49 0.00 2.33 3.01 -0.80 -5.17 119.74 118.61 2b0f s LYS 181 Ca -0.02 -0.47 0.19 0.00 -1.01 0.00 0.00 55.97 54.66 2b0f s LYS 181 Cb 0.13 -2.91 0.15 0.00 -1.01 0.00 0.00 37.83 34.19 2b0f s LYS 181 CO 0.68 0.39 1.10 1.04 0.51 0.00 0.00 175.35 179.07