#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f2h s ALA 2 N 0.00 3.95 -0.12 -5.12 0.00 -1.26 -5.10 121.76 114.12 1f2h s ALA 2 Ca 0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 51.96 50.83 1f2h s ALA 2 Cb 0.00 -1.89 0.13 0.00 0.00 0.00 0.00 23.12 21.36 1f2h s ALA 2 CO 0.00 0.73 1.05 0.00 0.00 0.00 0.00 175.76 177.54 1f2h s ALA 3 N -1.60 -1.95 0.00 0.00 0.00 -1.26 -5.13 121.76 111.83 1f2h s ALA 3 Ca 0.36 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1f2h s ALA 3 Cb -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1f2h s ALA 3 CO 0.28 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1f2h n GLY 4 N 0.04 -1.65 3.87 0.00 0.00 -1.26 -5.14 105.19 101.05 1f2h n GLY 4 Ca -0.05 0.67 -0.31 0.00 0.00 0.00 0.00 46.02 46.33 1f2h n GLY 4 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1f2h s GLN 5 N 0.07 3.59 -0.41 1.61 -0.21 -1.26 -5.00 119.66 118.04 1f2h s GLN 5 Ca 0.00 0.74 -0.27 0.00 0.02 0.00 0.00 55.36 55.85 1f2h s GLN 5 Cb 0.00 -2.08 0.02 0.00 1.00 0.00 0.00 33.01 31.95 1f2h s GLN 5 CO 0.00 -0.57 1.00 1.21 -2.12 0.00 0.00 175.29 174.81 1f2h s ASN 6 N -4.18 6.66 0.54 5.90 2.47 -1.26 -5.03 114.94 120.04 1f2h s ASN 6 Ca 0.55 0.51 -0.19 0.00 0.42 0.00 0.00 52.86 54.15 1f2h s ASN 6 Cb -0.11 -2.49 -0.06 0.00 -1.45 0.00 0.00 41.25 37.14 1f2h s ASN 6 CO 0.54 -1.01 1.09 -0.83 -3.72 0.00 0.00 177.10 173.17 1f2h s GLY 7 N 2.09 2.49 -0.23 1.21 0.00 -1.26 -4.98 107.32 106.63 1f2h s GLY 7 Ca 0.41 0.68 -0.05 0.00 0.00 0.00 0.00 44.72 45.76 1f2h s GLY 7 CO 0.23 1.01 -0.09 -2.39 0.00 0.00 0.00 173.10 171.87 1f2h n HIS 8 N -1.39 0.37 -3.93 1.90 1.44 -1.26 -5.02 115.22 107.32 1f2h n HIS 8 Ca 0.10 0.10 -0.36 0.00 -2.01 0.00 0.00 57.72 55.56 1f2h n HIS 8 Cb 0.52 -1.04 0.01 0.00 0.12 0.00 0.00 29.99 29.59 1f2h n HIS 8 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1f2h n GLU 9 N -3.62 -0.86 -3.57 -1.40 1.02 -1.26 -4.92 120.64 106.04 1f2h n GLU 9 Ca -0.44 0.38 -0.39 0.00 -0.02 0.00 0.00 57.16 56.69 1f2h n GLU 9 Cb 0.95 -2.24 -0.11 0.00 -0.02 0.00 0.00 31.44 30.02 1f2h n GLU 9 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1f2h s GLU 10 N -6.19 3.64 -0.34 3.49 2.02 -1.26 -5.03 118.70 115.04 1f2h s GLU 10 Ca 0.24 -0.53 -0.01 0.00 0.02 0.00 0.00 54.97 54.69 1f2h s GLU 10 Cb -0.14 -3.72 0.11 0.00 0.10 0.00 0.00 34.13 30.48 1f2h s GLU 10 CO 0.91 -0.34 0.15 -0.46 0.02 0.00 0.00 175.26 175.55 1f2h s TRP 11 N 1.72 1.28 -0.09 1.61 -0.00 -1.26 -5.10 118.94 117.10 1f2h s TRP 11 Ca 0.06 -1.67 -0.11 0.00 -0.00 0.00 0.00 56.10 54.38 1f2h s TRP 11 Cb -0.17 -1.42 0.03 0.00 -0.00 0.00 0.00 33.47 31.91 1f2h s TRP 11 CO 0.10 -0.84 0.29 0.54 -0.00 0.00 0.00 176.95 177.04 1f2h s VAL 12 N 1.36 0.02 0.18 5.86 0.11 -1.26 -3.36 120.40 123.30 1f2h s VAL 12 Ca 0.13 -0.13 -0.14 0.00 -2.93 0.00 0.00 61.98 58.91 1f2h s VAL 12 Cb -0.20 -0.46 0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1f2h s VAL 12 CO -0.17 -0.07 0.68 0.61 -3.33 0.00 0.00 175.10 172.81 1f2h n GLY 13 N 2.53 0.95 3.32 6.54 0.00 -1.26 -4.72 105.19 112.56 1f2h n GLY 13 Ca -0.15 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 1f2h n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f2h s SER 14 N -2.65 2.98 0.06 1.61 0.01 -1.20 -3.43 113.70 111.08 1f2h s SER 14 Ca 0.15 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 56.87 1f2h s SER 14 Cb -0.02 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 1f2h s SER 14 CO 0.05 0.23 -0.12 0.00 0.41 0.00 0.00 173.24 173.81 1f2h s ALA 15 N -0.82 1.00 -0.14 1.44 0.00 -1.03 -4.73 121.76 117.47 1f2h s ALA 15 Ca 0.11 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 1f2h s ALA 15 Cb -0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1f2h s ALA 15 CO 0.02 0.12 -0.04 0.71 0.00 0.00 0.00 175.76 176.57 1f2h s TYR 16 N -1.28 3.03 -0.05 0.00 2.02 -1.15 -2.04 117.35 117.88 1f2h s TYR 16 Ca -0.04 -0.22 0.06 0.00 -0.37 0.00 0.00 57.07 56.50 1f2h s TYR 16 Cb -0.10 -1.92 -0.01 0.00 -0.40 0.00 0.00 41.96 39.53 1f2h s TYR 16 CO 0.02 0.04 -0.25 -0.51 -1.57 0.00 0.00 175.55 173.28 1f2h s LEU 17 N 0.14 2.09 -0.21 -1.29 1.02 -0.94 -1.37 118.68 118.11 1f2h s LEU 17 Ca -0.01 -0.49 -0.05 0.00 0.02 0.00 0.00 54.13 53.60 1f2h s LEU 17 Cb -0.14 -1.37 -0.02 0.00 0.02 0.00 0.00 46.19 44.68 1f2h s LEU 17 CO 0.03 0.26 -0.01 -0.36 0.02 0.00 0.00 176.35 176.29 1f2h s PHE 18 N -0.28 3.01 -0.18 0.29 0.08 -1.00 -1.93 117.98 117.97 1f2h s PHE 18 Ca 0.00 -0.63 -0.01 0.00 0.12 0.00 0.00 56.93 56.41 1f2h s PHE 18 Cb -0.13 -2.11 0.00 0.00 -0.57 0.00 0.00 43.02 40.22 1f2h s PHE 18 CO 0.02 -0.37 -0.12 0.08 -0.10 0.00 0.00 175.22 174.73 1f2h s VAL 19 N 1.24 2.79 0.00 -0.44 1.01 -0.71 -2.64 120.40 121.66 1f2h s VAL 19 Ca 0.03 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 1f2h s VAL 19 Cb -0.15 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 1f2h s VAL 19 CO 0.00 0.49 0.12 -0.70 0.00 0.00 0.00 175.10 175.01 1f2h s GLU 20 N 1.16 0.46 0.00 2.72 2.12 -1.20 -2.98 118.70 120.98 1f2h s GLU 20 Ca 0.01 -0.42 0.19 0.00 0.36 0.00 0.00 54.97 55.11 1f2h s GLU 20 Cb -0.14 0.19 0.57 0.00 0.26 0.00 0.00 34.13 35.01 1f2h s GLU 20 CO -0.04 -0.11 1.45 -1.13 -0.54 0.00 0.00 175.26 174.89 1f2h n SER 21 N 1.49 2.24 -2.32 -1.70 3.41 -1.25 -2.53 113.62 112.96 1f2h n SER 21 Ca -0.23 -1.86 -0.20 0.00 -0.26 0.00 0.00 58.87 56.33 1f2h n SER 21 Cb 0.55 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 1f2h n SER 21 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1f2h n SER 22 N 0.70 -5.64 -4.23 4.04 7.64 -1.20 -3.49 113.62 111.44 1f2h n SER 22 Ca 0.16 0.06 -0.31 0.00 1.01 0.00 0.00 58.87 59.79 1f2h n SER 22 Cb 0.40 -4.73 -0.17 0.00 -1.01 0.00 0.00 64.21 58.70 1f2h n SER 22 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1f2h s LEU 23 N -5.85 2.07 0.00 -3.43 1.43 -1.26 -4.96 118.68 106.68 1f2h s LEU 23 Ca 0.00 -0.53 0.25 0.00 -1.03 0.00 0.00 54.13 52.82 1f2h s LEU 23 Cb 0.00 -1.37 0.44 0.00 0.03 0.00 0.00 46.19 45.29 1f2h s LEU 23 CO 0.00 0.19 1.40 0.47 0.23 0.00 0.00 176.35 178.65 1f2h n ASP 24 N 3.26 2.57 0.03 2.29 8.00 -1.26 -4.16 116.55 127.28 1f2h n ASP 24 Ca -0.18 -1.86 0.11 0.00 0.71 0.00 0.00 54.79 53.57 1f2h n ASP 24 Cb 0.53 -0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.63 1f2h n ASP 24 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1f2h n LYS 25 N 1.01 0.33 -5.10 -1.24 5.02 -1.26 -4.86 118.16 112.07 1f2h n LYS 25 Ca 0.15 -0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.12 1f2h n LYS 25 Cb 0.53 -1.61 -0.17 0.00 -0.02 0.00 0.00 35.03 33.76 1f2h n LYS 25 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1f2h s VAL 26 N -3.22 2.06 -1.17 -0.18 1.01 -1.26 -5.05 120.40 112.58 1f2h s VAL 26 Ca 0.03 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 60.90 1f2h s VAL 26 Cb 0.14 -1.79 0.23 0.00 0.00 0.00 0.00 36.38 34.96 1f2h s VAL 26 CO 0.81 0.56 1.43 0.52 0.00 0.00 0.00 175.10 178.42 1f2h n VAL 27 N 3.64 4.57 -0.33 2.92 0.31 -1.26 -4.83 118.33 123.35 1f2h n VAL 27 Ca -0.19 -5.09 -0.04 0.00 -0.01 0.00 0.00 64.34 59.01 1f2h n VAL 27 Cb 0.53 -2.41 0.09 0.00 -0.91 0.00 0.00 33.84 31.13 1f2h n VAL 27 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1f2h h LEU 28 N 7.64 1.13 -1.02 7.52 3.38 -1.95 -2.91 115.31 129.10 1f2h h LEU 28 Ca 0.27 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.20 1f2h h LEU 28 Cb 0.78 -0.29 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 1f2h h LEU 28 CO 1.27 0.91 0.65 0.77 0.09 0.00 0.00 178.44 182.13 1f2h h SER 29 N 1.25 1.03 -0.92 -0.43 4.64 -1.88 -1.48 113.55 115.77 1f2h h SER 29 Ca 0.31 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.65 1f2h h SER 29 Cb 0.05 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 61.89 1f2h h SER 29 CO -0.05 0.65 0.61 -0.78 -0.87 0.00 0.00 176.83 176.39 1f2h h ASP 30 N 1.17 1.06 -0.89 4.97 1.82 -1.88 -2.36 116.42 120.30 1f2h h ASP 30 Ca 0.43 -0.03 0.05 0.00 -0.39 0.00 0.00 57.03 57.09 1f2h h ASP 30 Cb 0.18 -0.27 -0.05 0.00 0.68 0.00 0.00 39.33 39.87 1f2h h ASP 30 CO -0.17 0.78 0.58 0.00 -1.61 0.00 0.00 179.24 178.81 1f2h h ALA 31 N 1.42 1.48 0.00 -0.78 0.00 -1.29 0.09 119.26 120.18 1f2h h ALA 31 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1f2h h ALA 31 Cb -0.14 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.36 1f2h h ALA 31 CO -0.07 0.41 0.00 0.66 0.00 0.00 0.00 179.25 180.25 1f2h n TYR 32 N -4.47 0.00 -0.38 0.00 4.01 -0.89 -3.19 117.16 112.25 1f2h n TYR 32 Ca 0.13 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.85 1f2h n TYR 32 Cb 0.15 -0.47 0.11 0.00 -0.31 0.00 0.00 39.34 38.82 1f2h n TYR 32 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1f2h h ALA 33 N 2.56 1.27 -2.96 -0.72 0.00 -0.96 -3.39 119.26 115.07 1f2h h ALA 33 Ca 0.00 -0.07 -0.54 0.00 0.00 0.00 0.00 54.91 54.30 1f2h h ALA 33 Cb 0.25 -0.41 0.12 0.00 0.00 0.00 0.00 17.79 17.75 1f2h h ALA 33 CO 0.00 0.66 0.62 -1.58 0.00 0.00 0.00 179.25 178.95 1f2h s HIS 34 N -6.12 2.45 0.09 0.00 5.04 -1.19 -4.93 115.29 110.63 1f2h s HIS 34 Ca -0.13 1.36 -0.16 0.00 -1.54 0.00 0.00 55.06 54.59 1f2h s HIS 34 Cb 0.18 -3.78 -0.09 0.00 0.04 0.00 0.00 32.58 28.93 1f2h s HIS 34 CO 0.82 -2.69 1.41 -1.00 -2.34 0.00 0.00 174.74 170.94 1f2h h PRO 35 N 1.89 0.64 -1.00 2.88 0.13 -1.92 -2.61 132.00 132.01 1f2h h PRO 35 Ca -0.51 -0.34 0.01 0.00 -0.87 0.00 0.00 66.00 64.30 1f2h h PRO 35 Cb 1.28 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 1f2h h PRO 35 CO 0.59 0.94 0.66 1.96 -0.23 0.00 0.00 178.00 181.92 1f2h h GLN 36 N 0.37 1.33 -0.59 0.86 4.20 -1.95 -1.91 115.11 117.42 1f2h h GLN 36 Ca 0.04 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 1f2h h GLN 36 Cb 0.82 -0.30 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1f2h h GLN 36 CO 0.06 0.88 0.02 1.96 -0.67 0.00 0.00 178.83 181.09 1f2h h GLN 37 N 1.36 1.00 -0.41 1.46 4.20 -1.86 -0.75 115.11 120.12 1f2h h GLN 37 Ca 0.37 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1f2h h GLN 37 Cb -0.15 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 1f2h h GLN 37 CO -0.08 0.97 0.27 -0.22 -0.67 0.00 0.00 178.83 179.10 1f2h h LYS 38 N 0.93 0.54 -0.26 1.46 3.64 -0.97 0.26 116.57 122.17 1f2h h LYS 38 Ca 0.17 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1f2h h LYS 38 Cb 0.51 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1f2h h LYS 38 CO 0.02 0.36 0.02 0.28 -2.27 0.00 0.00 179.45 177.86 1f2h h VAL 39 N 0.55 1.25 -0.44 2.00 2.07 -1.16 0.38 116.25 120.90 1f2h h VAL 39 Ca 0.15 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1f2h h VAL 39 Cb -0.06 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1f2h h VAL 39 CO -0.03 0.27 0.29 0.00 0.02 0.00 0.00 177.57 178.12 1f2h h ALA 40 N 0.83 0.55 -0.44 1.67 0.00 -0.86 -0.59 119.26 120.43 1f2h h ALA 40 Ca 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1f2h h ALA 40 Cb 0.38 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1f2h h ALA 40 CO 0.01 0.00 0.12 0.28 0.00 0.00 0.00 179.25 179.66 1f2h h VAL 41 N 0.59 1.19 -0.44 0.00 2.07 -0.34 -2.61 116.25 116.71 1f2h h VAL 41 Ca 0.16 -0.67 0.09 0.00 0.82 0.00 0.00 66.70 67.10 1f2h h VAL 41 Cb -0.07 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 1f2h h VAL 41 CO -0.04 0.25 -0.06 0.22 0.02 0.00 0.00 177.57 177.96 1f2h h TYR 42 N 0.63 -0.14 -0.38 1.57 3.20 0.14 0.18 116.97 122.17 1f2h h TYR 42 Ca 0.15 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.89 1f2h h TYR 42 Cb 0.22 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1f2h h TYR 42 CO 0.01 -0.15 -0.39 0.00 -1.64 0.00 0.00 178.16 175.99 1f2h h ARG 43 N 0.05 0.94 -0.18 1.82 3.08 -1.17 -1.88 114.38 117.04 1f2h h ARG 43 Ca 0.22 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1f2h h ARG 43 Cb 0.33 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1f2h h ARG 43 CO -0.42 1.16 0.12 0.00 -1.07 0.00 0.00 179.97 179.76 1f2h h ALA 44 N 0.77 0.23 -0.71 0.04 0.00 -0.99 -1.48 119.26 117.12 1f2h h ALA 44 Ca 0.06 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1f2h h ALA 44 Cb 0.99 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1f2h h ALA 44 CO 0.10 -0.29 0.17 -0.07 0.00 0.00 0.00 179.25 179.16 1f2h h LEU 45 N 0.24 1.08 -0.38 0.00 3.38 -0.66 -2.20 115.31 116.78 1f2h h LEU 45 Ca 0.07 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1f2h h LEU 45 Cb -0.02 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1f2h h LEU 45 CO -0.01 1.03 0.25 -0.61 0.09 0.00 0.00 178.44 179.19 1f2h h GLN 46 N 1.08 0.50 -0.79 1.13 4.15 -0.98 -1.78 115.11 118.43 1f2h h GLN 46 Ca 0.22 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 1f2h h GLN 46 Cb 0.38 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 1f2h h GLN 46 CO 0.00 0.33 0.29 0.00 -1.93 0.00 0.00 178.83 177.52 1f2h h ALA 47 N 1.14 1.02 -0.94 3.38 0.00 -1.12 -2.69 119.26 120.06 1f2h h ALA 47 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1f2h h ALA 47 Cb -0.06 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.38 1f2h h ALA 47 CO -0.03 0.67 0.59 0.00 0.00 0.00 0.00 179.25 180.48 1f2h h ALA 48 N 1.15 1.19 -0.92 0.00 0.00 -0.94 -2.49 119.26 117.25 1f2h h ALA 48 Ca 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1f2h h ALA 48 Cb 0.25 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1f2h h ALA 48 CO -0.02 0.62 0.53 -0.07 0.00 0.00 0.00 179.25 180.31 1f2h h LEU 49 N 1.28 1.14 -1.01 0.00 3.38 -1.00 -2.50 115.31 116.60 1f2h h LEU 49 Ca 0.34 -0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.35 1f2h h LEU 49 Cb -0.09 -0.29 -0.09 0.00 0.09 0.00 0.00 40.66 40.28 1f2h h LEU 49 CO -0.07 0.89 0.63 0.00 0.09 0.00 0.00 178.44 179.99 1f2h h ALA 50 N 1.29 1.55 -0.84 1.53 0.00 -1.29 1.10 119.26 122.60 1f2h h ALA 50 Ca 0.33 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1f2h h ALA 50 Cb -0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1f2h h ALA 50 CO -0.06 0.18 0.41 0.93 0.00 0.00 0.00 179.25 180.72 1f2h h GLU 51 N 0.96 1.20 -0.00 0.00 5.08 -1.45 -2.25 114.58 118.12 1f2h h GLU 51 Ca 0.51 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1f2h h GLU 51 Cb 0.56 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1f2h h GLU 51 CO -0.29 0.92 -0.22 0.43 -1.00 0.00 0.00 179.01 178.85 1f2h n SER 52 N -4.31 0.30 0.00 1.42 7.64 0.19 -4.90 113.62 113.95 1f2h n SER 52 Ca 0.08 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1f2h n SER 52 Cb 0.13 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1f2h n SER 52 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f2h n GLY 53 N 1.46 1.43 2.83 0.23 0.00 0.89 -3.27 105.19 108.76 1f2h n GLY 53 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1f2h n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f2h n GLY 54 N -1.26 4.73 3.73 -0.02 0.00 0.34 -4.53 105.19 108.18 1f2h n GLY 54 Ca 0.00 -2.68 -0.33 0.00 0.00 0.00 0.00 46.02 43.00 1f2h n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f2h s SER 55 N -1.52 4.27 0.00 1.61 1.04 -1.26 -2.97 113.70 114.86 1f2h s SER 55 Ca 0.33 2.24 0.15 0.00 0.48 0.00 0.00 55.95 59.15 1f2h s SER 55 Cb 0.05 -2.58 0.64 0.00 0.10 0.00 0.00 66.02 64.23 1f2h s SER 55 CO -0.01 -2.21 1.48 -0.81 0.98 0.00 0.00 173.24 172.67 1f2h n PRO 56 N -2.86 0.01 0.02 4.02 -0.04 -1.25 -0.04 135.00 134.85 1f2h n PRO 56 Ca 0.12 0.24 -0.03 0.00 -0.04 0.00 0.00 63.50 63.79 1f2h n PRO 56 Cb 0.51 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 1f2h n PRO 56 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1f2h h ASP 57 N 0.00 0.00 0.00 3.54 3.32 -2.01 -3.41 116.42 117.86 1f2h h ASP 57 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1f2h h ASP 57 Cb 0.25 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 1f2h h ASP 57 CO 0.00 0.75 -1.85 0.55 -1.72 0.00 0.00 179.24 176.96 1f2h n VAL 58 N -2.98 0.86 -4.08 -1.35 3.14 -1.05 -4.96 118.33 107.92 1f2h n VAL 58 Ca -0.11 -0.32 -0.34 0.00 -2.96 0.00 0.00 64.34 60.61 1f2h n VAL 58 Cb 0.92 -1.06 -0.15 0.00 -1.06 0.00 0.00 33.84 32.48 1f2h n VAL 58 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1f2h s LEU 59 N -5.92 2.52 0.11 6.55 1.43 0.94 -3.68 118.68 120.64 1f2h s LEU 59 Ca -0.20 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 1f2h s LEU 59 Cb 0.05 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1f2h s LEU 59 CO 0.34 0.00 -0.11 -1.10 0.23 0.00 0.00 176.35 175.71 1f2h s GLN 60 N 1.31 0.94 -0.26 1.70 -0.21 -1.22 -3.94 119.66 117.97 1f2h s GLN 60 Ca 0.04 -1.25 -0.20 0.00 0.02 0.00 0.00 55.36 53.97 1f2h s GLN 60 Cb -0.14 -0.64 -0.02 0.00 1.00 0.00 0.00 33.01 33.21 1f2h s GLN 60 CO -0.07 0.10 0.62 -1.64 -2.12 0.00 0.00 175.29 172.18 1f2h s MET 61 N -2.99 4.09 0.10 2.91 -1.94 -1.26 -0.71 119.30 119.50 1f2h s MET 61 Ca 0.09 0.51 -0.14 0.00 -1.71 0.00 0.00 55.69 54.43 1f2h s MET 61 Cb -0.02 -3.66 -0.08 0.00 2.01 0.00 0.00 34.83 33.08 1f2h s MET 61 CO 0.01 -0.42 1.42 -0.07 -0.01 0.00 0.00 175.02 175.95 1f2h h LEU 62 N 8.94 0.79 -7.00 -0.03 3.38 -1.62 -3.48 115.31 116.30 1f2h h LEU 62 Ca -0.27 -0.48 0.16 0.00 0.09 0.00 0.00 57.88 57.38 1f2h h LEU 62 Cb 1.12 -0.22 -0.18 0.00 0.09 0.00 0.00 40.66 41.47 1f2h h LEU 62 CO 0.77 1.11 0.62 -0.75 0.09 0.00 0.00 178.44 180.28 1f2h s LYS 63 N -4.33 0.61 -0.27 1.13 2.20 -1.26 -4.80 119.74 113.02 1f2h s LYS 63 Ca -0.12 -0.18 -0.10 0.00 -0.36 0.00 0.00 55.97 55.20 1f2h s LYS 63 Cb 0.09 0.28 -0.05 0.00 -1.51 0.00 0.00 37.83 36.64 1f2h s LYS 63 CO 0.84 -0.26 0.16 0.42 -0.36 0.00 0.00 175.35 176.16 1f2h s ILE 64 N -2.63 5.10 -0.16 5.43 -1.09 -1.26 -1.78 121.20 124.81 1f2h s ILE 64 Ca 0.06 0.10 -0.06 0.00 -2.23 0.00 0.00 60.65 58.51 1f2h s ILE 64 Cb -0.01 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 1f2h s ILE 64 CO -0.06 0.27 0.06 -1.00 -1.23 0.00 0.00 174.94 172.97 1f2h s HIS 65 N 1.72 3.27 -0.22 3.97 3.76 0.28 -4.99 115.29 123.08 1f2h s HIS 65 Ca 0.07 0.14 -0.04 0.00 -0.15 0.00 0.00 55.06 55.07 1f2h s HIS 65 Cb -0.16 -2.01 -0.01 0.00 1.11 0.00 0.00 32.58 31.51 1f2h s HIS 65 CO 0.09 0.27 -0.03 1.03 -0.85 0.00 0.00 174.74 175.25 1f2h s ARG 66 N 0.01 3.41 -0.07 1.40 0.52 -1.26 -0.44 118.95 122.51 1f2h s ARG 66 Ca 0.06 -0.61 -0.14 0.00 -0.52 0.00 0.00 55.73 54.52 1f2h s ARG 66 Cb -0.12 -3.05 0.03 0.00 0.52 0.00 0.00 34.95 32.33 1f2h s ARG 66 CO 0.01 -0.19 0.34 0.45 0.02 0.00 0.00 175.30 175.93 1f2h s SER 67 N 1.49 -0.29 0.32 0.23 0.15 -1.24 -5.01 113.70 109.35 1f2h s SER 67 Ca 0.06 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1f2h s SER 67 Cb -0.14 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1f2h s SER 67 CO -0.02 -0.29 0.00 -0.90 1.20 0.00 0.00 173.24 173.22 1f2h n ASP 68 N 2.05 -1.80 -2.10 5.45 5.68 -1.26 -2.81 116.55 121.76 1f2h n ASP 68 Ca -0.17 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 53.97 1f2h n ASP 68 Cb 0.57 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.39 1f2h n ASP 68 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1f2h n PRO 69 N -0.57 2.13 -3.76 0.11 -0.04 -1.26 -4.81 135.00 126.80 1f2h n PRO 69 Ca 0.00 -1.15 -0.09 0.00 -0.04 0.00 0.00 63.50 62.22 1f2h n PRO 69 Cb 0.00 -2.05 -0.06 0.00 -0.04 0.00 0.00 33.50 31.35 1f2h n PRO 69 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1f2h s GLN 70 N 0.92 0.95 -0.15 0.54 -0.21 -1.12 -4.91 119.66 115.67 1f2h s GLN 70 Ca 0.67 -0.85 -0.03 0.00 0.02 0.00 0.00 55.36 55.17 1f2h s GLN 70 Cb 0.32 0.40 -0.02 0.00 1.00 0.00 0.00 33.01 34.70 1f2h s GLN 70 CO -0.02 -0.34 -0.06 -1.17 -2.12 0.00 0.00 175.29 171.59 1f2h s LEU 71 N -2.84 3.14 -0.16 2.90 2.96 -1.16 -3.67 118.68 119.87 1f2h s LEU 71 Ca 0.04 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1f2h s LEU 71 Cb 0.03 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 1f2h s LEU 71 CO -0.11 0.17 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.41 1f2h s ILE 72 N 0.33 3.74 -0.09 6.68 1.01 0.42 -1.74 121.20 131.55 1f2h s ILE 72 Ca -0.05 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.22 1f2h s ILE 72 Cb -0.14 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.70 1f2h s ILE 72 CO 0.04 0.49 -0.20 -0.69 0.00 0.00 0.00 174.94 174.58 1f2h s VAL 73 N 0.43 1.70 -0.11 2.92 1.01 -0.81 0.10 120.40 125.64 1f2h s VAL 73 Ca -0.05 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 1f2h s VAL 73 Cb -0.14 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1f2h s VAL 73 CO 0.03 0.48 0.51 -1.58 0.00 0.00 0.00 175.10 174.55 1f2h s GLN 74 N 0.45 4.35 0.11 2.72 0.74 -0.73 -2.21 119.66 125.10 1f2h s GLN 74 Ca -0.17 0.52 0.08 0.00 0.05 0.00 0.00 55.36 55.84 1f2h s GLN 74 Cb -0.17 -3.44 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 1f2h s GLN 74 CO 0.07 0.15 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.31 1f2h s LEU 75 N 0.64 2.89 0.12 3.68 1.43 -0.87 -1.58 118.68 124.99 1f2h s LEU 75 Ca 0.28 -0.48 0.10 0.00 -1.03 0.00 0.00 54.13 53.00 1f2h s LEU 75 Cb -0.16 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1f2h s LEU 75 CO 0.12 0.17 -0.21 -0.60 0.23 0.00 0.00 176.35 176.06 1f2h s ARG 76 N -2.22 1.67 0.18 1.70 3.52 0.11 -2.48 118.95 121.43 1f2h s ARG 76 Ca 0.20 -1.23 0.06 0.00 -0.13 0.00 0.00 55.73 54.63 1f2h s ARG 76 Cb -0.11 -2.05 -0.05 0.00 -1.56 0.00 0.00 34.95 31.19 1f2h s ARG 76 CO 0.12 0.47 -0.13 -0.06 -0.81 0.00 0.00 175.30 174.90 1f2h s PHE 77 N -1.12 1.52 0.00 5.12 0.40 -1.22 -3.44 117.98 119.24 1f2h s PHE 77 Ca 0.17 -0.65 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 1f2h s PHE 77 Cb -0.10 -0.73 0.00 0.00 0.51 0.00 0.00 43.02 42.69 1f2h s PHE 77 CO 0.09 0.24 0.00 0.00 0.70 0.00 0.00 175.22 176.25 1f2h s GLY 79 N -1.98 2.18 0.16 0.00 0.00 -1.26 -4.54 107.32 101.88 1f2h s GLY 79 Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 44.72 44.07 1f2h s GLY 79 CO 0.00 0.07 1.56 -0.09 0.00 0.00 0.00 173.10 174.64 1f2h h ARG 80 N 5.93 1.01 0.13 2.90 2.43 -1.99 -2.60 114.38 122.20 1f2h h ARG 80 Ca -0.47 -0.42 0.02 0.00 -0.81 0.00 0.00 59.98 58.30 1f2h h ARG 80 Cb 1.19 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 1f2h h ARG 80 CO 0.69 1.10 -0.40 1.96 -1.51 0.00 0.00 179.97 181.81 1f2h h GLN 81 N 0.88 -0.62 0.00 0.20 4.20 -2.00 -0.25 115.11 117.51 1f2h h GLN 81 Ca 0.12 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1f2h h GLN 81 Cb 0.78 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.70 1f2h h GLN 81 CO 0.06 -0.42 0.00 -1.00 -0.67 0.00 0.00 178.83 176.81 1f2h h PRO 82 N -0.65 0.00 -0.13 1.46 0.13 -1.82 -2.88 132.00 128.12 1f2h h PRO 82 Ca 0.02 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.07 1f2h h PRO 82 Cb 0.67 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 1f2h h PRO 82 CO -0.23 0.00 -0.22 0.00 -0.23 0.00 0.00 178.00 177.32 1f2h h GLY 84 N -0.04 1.36 1.63 0.00 0.00 -1.12 -1.87 103.07 103.03 1f2h h GLY 84 Ca 0.01 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 46.65 1f2h h GLY 84 CO 0.05 0.58 -0.24 3.21 0.00 0.00 0.00 176.54 180.14 1f2h h ARG 85 N 1.28 0.43 0.01 4.80 3.08 -1.50 -2.00 114.38 120.48 1f2h h ARG 85 Ca 0.33 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1f2h h ARG 85 Cb 0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1f2h h ARG 85 CO -0.06 0.65 -0.01 0.35 -1.07 0.00 0.00 179.97 179.83 1f2h h PHE 86 N 0.39 -0.02 -0.11 3.04 3.04 -0.47 0.22 116.94 123.01 1f2h h PHE 86 Ca 0.06 -0.00 -0.24 0.00 3.98 0.00 0.00 57.97 61.77 1f2h h PHE 86 Cb 0.63 0.01 0.01 0.00 2.56 0.00 0.00 35.95 39.17 1f2h h PHE 86 CO 0.02 -0.02 -0.86 1.37 -2.02 0.00 0.00 178.31 176.81 1f2h h LEU 87 N -0.02 0.95 -0.65 0.59 8.10 -1.48 -2.13 115.31 120.66 1f2h h LEU 87 Ca -0.00 -0.66 -0.07 0.00 0.11 0.00 0.00 57.88 57.26 1f2h h LEU 87 Cb 0.02 -0.28 -0.03 0.00 -0.44 0.00 0.00 40.66 39.93 1f2h h LEU 87 CO 0.00 1.46 0.13 -0.09 -4.11 0.00 0.00 178.44 175.83 1f2h h ARG 88 N 0.51 1.06 0.00 0.17 2.43 -1.30 -2.29 114.38 114.96 1f2h h ARG 88 Ca -0.08 -0.27 -0.07 0.00 -0.81 0.00 0.00 59.98 58.76 1f2h h ARG 88 Cb 1.49 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 1f2h h ARG 88 CO 0.17 0.97 -0.31 0.00 -1.51 0.00 0.00 179.97 179.29 1f2h h ALA 89 N 1.05 1.06 -0.46 2.80 0.00 -0.60 -3.11 119.26 120.00 1f2h h ALA 89 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1f2h h ALA 89 Cb 0.40 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1f2h h ALA 89 CO 0.01 0.39 0.30 -0.92 0.00 0.00 0.00 179.25 179.03 1f2h h TYR 90 N 0.00 0.58 -0.94 0.00 3.20 -0.78 0.34 116.97 119.38 1f2h h TYR 90 Ca -0.00 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1f2h h TYR 90 Cb 0.79 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.82 1f2h h TYR 90 CO 0.00 0.36 0.61 -0.09 -1.64 0.00 0.00 178.16 177.40 1f2h h ARG 91 N 0.62 1.24 -0.60 1.82 2.43 -1.49 -1.80 114.38 116.60 1f2h h ARG 91 Ca 0.17 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 1f2h h ARG 91 Cb -0.07 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 29.18 1f2h h ARG 91 CO -0.04 0.83 -0.03 0.93 -1.51 0.00 0.00 179.97 180.15 1f2h h GLU 92 N 1.27 1.07 -0.88 0.20 5.08 -1.44 -2.77 114.58 117.11 1f2h h GLU 92 Ca 0.34 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1f2h h GLU 92 Cb -0.13 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 1f2h h GLU 92 CO -0.07 1.06 0.55 0.78 -1.00 0.00 0.00 179.01 180.33 1f2h h GLY 93 N 0.98 1.26 1.02 -3.84 0.00 -0.29 -1.34 103.07 100.85 1f2h h GLY 93 Ca 0.17 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1f2h h GLY 93 CO 0.04 0.50 0.44 0.00 0.00 0.00 0.00 176.54 177.51 1f2h h ALA 94 N 1.30 1.05 -0.81 3.60 0.00 -1.14 -1.30 119.26 121.95 1f2h h ALA 94 Ca 0.32 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1f2h h ALA 94 Cb -0.08 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.35 1f2h h ALA 94 CO -0.06 0.56 0.34 -0.07 0.00 0.00 0.00 179.25 180.02 1f2h h LEU 95 N 1.14 1.11 -1.16 0.00 3.38 -1.13 -2.05 115.31 116.59 1f2h h LEU 95 Ca 0.29 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1f2h h LEU 95 Cb 0.04 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1f2h h LEU 95 CO -0.04 0.97 0.34 -0.09 0.09 0.00 0.00 178.44 179.71 1f2h h ARG 96 N 1.18 0.92 -1.00 1.13 2.43 -0.52 -2.35 114.38 116.17 1f2h h ARG 96 Ca 0.27 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1f2h h ARG 96 Cb 0.20 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 1f2h h ARG 96 CO -0.03 0.69 0.66 0.00 -1.51 0.00 0.00 179.97 179.79 1f2h h ALA 97 N 1.45 1.34 -0.97 2.80 0.00 -0.52 -1.43 119.26 121.93 1f2h h ALA 97 Ca 0.23 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1f2h h ALA 97 Cb 0.05 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 1f2h h ALA 97 CO -0.04 0.57 0.64 0.00 0.00 0.00 0.00 179.25 180.42 1f2h h ALA 98 N 1.41 1.30 -0.91 0.00 0.00 -1.29 -1.60 119.26 118.18 1f2h h ALA 98 Ca 0.40 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1f2h h ALA 98 Cb -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.34 1f2h h ALA 98 CO -0.12 0.64 0.60 1.25 0.00 0.00 0.00 179.25 181.62 1f2h h LEU 99 N 1.31 1.05 -1.01 0.00 5.85 -1.19 -2.39 115.31 118.93 1f2h h LEU 99 Ca 0.35 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.06 1f2h h LEU 99 Cb -0.15 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.57 1f2h h LEU 99 CO -0.08 0.76 0.67 1.56 -0.34 0.00 0.00 178.44 181.01 1f2h h GLN 100 N 1.23 1.33 -0.00 1.25 1.08 -0.93 0.55 115.11 119.62 1f2h h GLN 100 Ca 0.33 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1f2h h GLN 100 Cb -0.14 -0.30 -0.00 0.00 -0.05 0.00 0.00 27.48 26.99 1f2h h GLN 100 CO -0.07 0.88 -0.00 -0.09 -0.95 0.00 0.00 178.83 178.60 1f2h h ARG 101 N 1.37 0.00 -0.80 1.46 2.43 -1.28 0.56 114.38 118.12 1f2h h ARG 101 Ca 0.37 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.49 1f2h h ARG 101 Cb -0.16 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 1f2h h ARG 101 CO -0.08 0.00 0.31 0.77 -1.51 0.00 0.00 179.97 179.46 1f2h h SER 102 N 0.00 1.11 0.71 -3.80 0.02 -1.38 -2.26 113.55 107.95 1f2h h SER 102 Ca 0.00 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 1f2h h SER 102 Cb 0.00 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1f2h h SER 102 CO -0.00 0.98 -0.29 -0.07 -1.14 0.00 0.00 176.83 176.31 1f2h h LEU 103 N 1.16 0.00 0.02 5.07 4.07 -0.41 -3.20 115.31 122.02 1f2h h LEU 103 Ca 0.26 0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.25 1f2h h LEU 103 Cb 0.23 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.92 1f2h h LEU 103 CO -0.02 0.29 -0.40 0.00 -1.08 0.00 0.00 178.44 177.23 1f2h h ALA 104 N 1.71 -0.64 -0.80 1.53 0.00 0.74 0.27 119.26 122.07 1f2h h ALA 104 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1f2h h ALA 104 Cb 0.73 0.70 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1f2h h ALA 104 CO 0.04 -0.94 0.42 0.00 0.00 0.00 0.00 179.25 178.77 1f2h h ALA 105 N -0.00 1.22 -0.76 0.00 0.00 -0.94 0.69 119.26 119.47 1f2h h ALA 105 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1f2h h ALA 105 Cb 0.64 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1f2h h ALA 105 CO -0.30 0.61 0.40 0.00 0.00 0.00 0.00 179.25 179.97 1f2h h ALA 106 N 1.33 1.28 -2.80 0.00 0.00 -1.27 -3.38 119.26 114.42 1f2h h ALA 106 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1f2h h ALA 106 Cb 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1f2h h ALA 106 CO -0.04 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.06 1f2h n LEU 107 N -4.35 1.41 -1.46 0.00 4.77 0.86 -4.99 117.00 113.23 1f2h n LEU 107 Ca 0.08 0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 1f2h n LEU 107 Cb 0.11 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1f2h n LEU 107 CO 0.38 -0.03 0.35 0.00 -1.33 0.00 0.00 177.39 176.76 1f2h n ALA 108 N -1.08 1.51 -2.95 -1.18 0.00 -0.60 -5.09 120.51 111.13 1f2h n ALA 108 Ca 0.00 -0.53 -0.22 0.00 0.00 0.00 0.00 53.44 52.70 1f2h n ALA 108 Cb 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 19.45 18.81 1f2h n ALA 108 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1f2h s GLN 109 N 0.04 1.14 0.21 0.00 -0.21 0.23 -4.99 119.66 116.08 1f2h s GLN 109 Ca 0.03 -0.38 -0.08 0.00 0.02 0.00 0.00 55.36 54.94 1f2h s GLN 109 Cb 0.13 -1.05 0.14 0.00 1.00 0.00 0.00 33.01 33.24 1f2h s GLN 109 CO -0.04 0.16 1.76 0.45 -2.12 0.00 0.00 175.29 175.50 1f2h h HIS 110 N 6.29 1.20 -0.61 0.91 3.86 -1.95 0.39 115.15 125.25 1f2h h HIS 110 Ca -0.33 -0.10 0.23 0.00 -1.16 0.00 0.00 60.37 59.00 1f2h h HIS 110 Cb 1.17 -0.35 -0.30 0.00 1.06 0.00 0.00 27.41 28.99 1f2h h HIS 110 CO 0.44 0.92 0.61 0.45 0.86 0.00 0.00 177.93 181.21 1f2h s SER 111 N -6.37 -0.10 -0.52 2.45 0.15 -1.26 -4.42 113.70 103.63 1f2h s SER 111 Ca -0.12 0.15 0.07 0.00 0.70 0.00 0.00 55.95 56.75 1f2h s SER 111 Cb 0.15 1.09 0.25 0.00 -1.71 0.00 0.00 66.02 65.80 1f2h s SER 111 CO 0.84 -0.02 0.63 0.55 1.20 0.00 0.00 173.24 176.44 1f2h n VAL 112 N 3.92 0.82 -2.42 4.45 3.14 -1.26 -4.99 118.33 121.99 1f2h n VAL 112 Ca -0.11 -4.61 -0.43 0.00 -2.96 0.00 0.00 64.34 56.23 1f2h n VAL 112 Cb 0.56 -2.03 -0.02 0.00 -1.06 0.00 0.00 33.84 31.29 1f2h n VAL 112 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1f2h s PRO 113 N -1.80 3.78 0.01 1.45 0.04 -1.23 -4.20 135.00 133.05 1f2h s PRO 113 Ca 0.37 1.06 0.04 0.00 0.04 0.00 0.00 61.00 62.51 1f2h s PRO 113 Cb 0.15 -3.93 -0.03 0.00 0.04 0.00 0.00 34.50 30.73 1f2h s PRO 113 CO -0.06 -1.30 -0.07 -0.51 0.04 0.00 0.00 177.00 175.09 1f2h s LEU 114 N 4.75 3.14 0.03 -3.56 1.43 -1.26 -3.23 118.68 119.99 1f2h s LEU 114 Ca 0.57 -0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 53.42 1f2h s LEU 114 Cb -0.14 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1f2h s LEU 114 CO 0.27 0.28 0.18 -1.58 0.23 0.00 0.00 176.35 175.73 1f2h s GLN 115 N -1.44 0.65 -0.03 1.70 0.74 -1.05 -4.66 119.66 115.56 1f2h s GLN 115 Ca 0.17 -0.61 0.07 0.00 0.05 0.00 0.00 55.36 55.04 1f2h s GLN 115 Cb -0.11 0.27 -0.02 0.00 1.10 0.00 0.00 33.01 34.25 1f2h s GLN 115 CO 0.08 -0.18 -0.24 -0.51 -0.55 0.00 0.00 175.29 173.88 1f2h s LEU 116 N -1.99 2.15 0.09 3.68 1.43 -1.26 -3.27 118.68 119.52 1f2h s LEU 116 Ca -0.06 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 52.67 1f2h s LEU 116 Cb -0.02 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 1f2h s LEU 116 CO -0.03 0.31 -0.18 -1.61 0.23 0.00 0.00 176.35 175.06 1f2h s GLU 117 N -0.53 1.02 -0.14 1.70 2.02 -1.08 -4.92 118.70 116.77 1f2h s GLU 117 Ca 0.07 -1.08 -0.01 0.00 0.02 0.00 0.00 54.97 53.97 1f2h s GLU 117 Cb -0.11 -1.19 -0.02 0.00 0.10 0.00 0.00 34.13 32.91 1f2h s GLU 117 CO 0.00 0.27 -0.10 -0.51 0.02 0.00 0.00 175.26 174.95 1f2h s LEU 118 N -1.83 2.90 -0.35 1.80 1.43 -1.26 -2.37 118.68 119.00 1f2h s LEU 118 Ca 0.03 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1f2h s LEU 118 Cb -0.10 -1.67 0.11 0.00 0.03 0.00 0.00 46.19 44.56 1f2h s LEU 118 CO 0.03 0.17 0.12 -0.60 0.23 0.00 0.00 176.35 176.31 1f2h s ARG 119 N 0.32 1.03 -0.00 1.70 3.52 -0.47 -3.28 118.95 121.76 1f2h s ARG 119 Ca -0.08 -1.48 0.10 0.00 -0.13 0.00 0.00 55.73 54.14 1f2h s ARG 119 Cb -0.15 -2.36 -0.13 0.00 -1.56 0.00 0.00 34.95 30.75 1f2h s ARG 119 CO 0.05 -1.02 0.38 0.00 -0.81 0.00 0.00 175.30 173.90 1f2h n ALA 120 N 4.40 3.08 -2.00 6.12 0.00 -1.26 -2.92 120.51 127.94 1f2h n ALA 120 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1f2h n ALA 120 Cb 0.40 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1f2h n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f2h n GLY 121 N 1.42 0.56 0.47 0.00 0.00 -1.26 -4.30 105.19 102.09 1f2h n GLY 121 Ca 0.01 0.41 0.14 0.00 0.00 0.00 0.00 46.02 46.58 1f2h n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f2h n ALA 122 N -3.00 2.63 -2.79 4.61 0.00 -1.26 -4.86 120.51 115.85 1f2h n ALA 122 Ca 0.00 -0.45 -0.34 0.00 0.00 0.00 0.00 53.44 52.65 1f2h n ALA 122 Cb 0.00 -1.14 -0.11 0.00 0.00 0.00 0.00 19.45 18.19 1f2h n ALA 122 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1f2h s GLU 123 N -2.06 3.24 0.00 0.00 2.02 -1.26 -5.08 118.70 115.56 1f2h s GLU 123 Ca 0.36 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1f2h s GLU 123 Cb 0.21 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.66 1f2h s GLU 123 CO 0.36 0.46 0.00 0.54 0.02 0.00 0.00 175.26 176.64 1f2h n ARG 124 N 2.86 1.39 -0.35 1.61 1.74 -1.26 -4.19 116.66 118.46 1f2h n ARG 124 Ca -0.18 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.87 1f2h n ARG 124 Cb 0.53 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.06 1f2h n ARG 124 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1f2h h LEU 125 N 0.00 1.07 -1.31 0.55 5.85 -1.93 -1.41 115.31 118.13 1f2h h LEU 125 Ca 0.00 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1f2h h LEU 125 Cb 0.00 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1f2h h LEU 125 CO 0.00 0.77 -0.25 -2.24 -0.34 0.00 0.00 178.44 176.39 1f2h h ASP 126 N 1.26 0.00 0.82 1.25 2.03 -1.93 -2.47 116.42 117.37 1f2h h ASP 126 Ca 0.34 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.64 1f2h h ASP 126 Cb -0.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.35 1f2h h ASP 126 CO -0.07 0.25 -0.13 0.00 -1.03 0.00 0.00 179.24 178.25 1f2h n ALA 127 N -2.28 2.66 -0.01 4.15 0.00 -0.58 -3.68 120.51 120.78 1f2h n ALA 127 Ca -0.01 -0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.36 1f2h n ALA 127 Cb 0.39 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.32 1f2h n ALA 127 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1f2h n LEU 128 N -1.46 0.00 -0.17 0.00 4.77 -0.94 -4.31 117.00 114.89 1f2h n LEU 128 Ca 0.07 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 1f2h n LEU 128 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1f2h n LEU 128 CO 0.29 0.00 0.69 -0.07 -1.33 0.00 0.00 177.39 176.97 1f2h h LEU 129 N 0.00 1.04 0.61 2.23 3.38 -1.58 -3.31 115.31 117.68 1f2h h LEU 129 Ca -0.00 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1f2h h LEU 129 Cb 0.87 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 41.35 1f2h h LEU 129 CO 0.00 1.19 -0.29 0.00 0.09 0.00 0.00 178.44 179.42 1f2h h ALA 130 N 0.89 -0.82 -3.14 1.53 0.00 -1.78 -3.43 119.26 112.52 1f2h h ALA 130 Ca 0.12 -0.20 -0.64 0.00 0.00 0.00 0.00 54.91 54.19 1f2h h ALA 130 Cb 0.76 0.32 -0.23 0.00 0.00 0.00 0.00 17.79 18.64 1f2h h ALA 130 CO 0.06 -0.79 -0.66 -0.51 0.00 0.00 0.00 179.25 177.35 1f2h s ASP 131 N -4.62 4.82 -0.02 0.00 1.01 -1.24 -4.98 116.67 111.64 1f2h s ASP 131 Ca -0.13 -0.19 0.09 0.00 0.71 0.00 0.00 52.55 53.02 1f2h s ASP 131 Cb 0.01 -1.82 -0.23 0.00 1.01 0.00 0.00 42.92 41.89 1f2h s ASP 131 CO 0.42 0.08 0.75 -0.33 0.21 0.00 0.00 175.17 176.30 1f2h h GLU 132 N 7.40 0.04 -0.84 8.23 5.08 -1.84 -3.35 114.58 129.30 1f2h h GLU 132 Ca -0.35 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 1f2h h GLU 132 Cb 1.18 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1f2h h GLU 132 CO 0.61 0.68 0.39 0.93 -1.00 0.00 0.00 179.01 180.62 1f2h h GLU 133 N 0.01 1.23 -0.94 2.33 5.08 -1.93 -2.88 114.58 117.48 1f2h h GLU 133 Ca -0.25 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1f2h h GLU 133 Cb 1.98 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 30.97 1f2h h GLU 133 CO 0.09 0.96 0.55 0.00 -1.00 0.00 0.00 179.01 179.61 1f2h h ARG 134 N 1.21 1.29 -0.85 2.33 3.08 -1.96 -2.54 114.38 116.93 1f2h h ARG 134 Ca 0.29 -0.13 0.11 0.00 0.07 0.00 0.00 59.98 60.32 1f2h h ARG 134 Cb 0.15 -0.26 -0.06 0.00 0.08 0.00 0.00 29.97 29.87 1f2h h ARG 134 CO -0.03 0.91 0.55 0.00 -1.07 0.00 0.00 179.97 180.33 1f2h h LEU 136 N 0.77 0.90 -1.00 0.00 3.38 -1.51 -0.66 115.31 117.19 1f2h h LEU 136 Ca 0.40 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1f2h h LEU 136 Cb 0.50 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1f2h h LEU 136 CO -0.17 0.97 0.66 0.28 0.09 0.00 0.00 178.44 180.27 1f2h h SER 137 N 0.80 1.16 0.02 -0.43 0.02 -1.06 0.27 113.55 114.33 1f2h h SER 137 Ca 0.15 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1f2h h SER 137 Cb 0.49 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1f2h h SER 137 CO 0.02 0.84 -0.01 0.00 -1.14 0.00 0.00 176.83 176.54 1f2h h ILE 139 N -0.69 1.16 0.00 0.00 2.04 -1.00 -2.32 117.51 116.69 1f2h h ILE 139 Ca -0.00 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 1f2h h ILE 139 Cb 0.64 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1f2h h ILE 139 CO 0.01 0.16 -0.31 0.17 0.00 0.00 0.00 178.15 178.17 1f2h h LEU 140 N 0.69 0.00 -1.32 1.44 8.10 -0.53 -3.10 115.31 120.59 1f2h h LEU 140 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.17 1f2h h LEU 140 Cb -0.01 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.18 1f2h h LEU 140 CO -0.03 0.31 0.35 0.00 -4.11 0.00 0.00 178.44 174.95 1f2h h ALA 141 N 1.69 1.49 -2.78 0.17 0.00 -0.37 -3.40 119.26 116.06 1f2h h ALA 141 Ca -0.00 -0.08 -0.61 0.00 0.00 0.00 0.00 54.91 54.22 1f2h h ALA 141 Cb 0.92 -0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.34 1f2h h ALA 141 CO 0.04 0.44 -0.20 -0.65 0.00 0.00 0.00 179.25 178.87 1f2h s GLN 142 N -5.60 4.10 0.41 0.00 -0.21 -1.17 -5.07 119.66 112.12 1f2h s GLN 142 Ca -0.10 0.13 -0.19 0.00 0.02 0.00 0.00 55.36 55.23 1f2h s GLN 142 Cb 0.17 -3.60 -0.10 0.00 1.00 0.00 0.00 33.01 30.48 1f2h s GLN 142 CO 0.77 -0.16 0.90 -0.65 -2.12 0.00 0.00 175.29 174.03 1f2h s GLN 143 N 1.71 4.15 1.15 2.91 -0.21 -1.26 -3.24 119.66 124.86 1f2h s GLN 143 Ca 0.17 1.00 -0.18 0.00 0.02 0.00 0.00 55.36 56.36 1f2h s GLN 143 Cb -0.15 -2.24 0.27 0.00 1.00 0.00 0.00 33.01 31.89 1f2h s GLN 143 CO 0.09 -0.00 1.16 -1.25 -2.12 0.00 0.00 175.29 173.16 1f2h s PRO 144 N -3.20 -0.80 -0.33 2.91 0.04 -1.26 -4.75 135.00 127.61 1f2h s PRO 144 Ca 0.60 -0.14 0.01 0.00 0.04 0.00 0.00 61.00 61.51 1f2h s PRO 144 Cb -0.09 -1.65 0.15 0.00 0.04 0.00 0.00 34.50 32.94 1f2h s PRO 144 CO 0.15 -3.42 0.33 0.34 0.04 0.00 0.00 177.00 174.45 1f2h s ASP 145 N -4.12 1.49 0.00 6.66 -1.08 -1.26 -4.98 116.67 113.38 1f2h s ASP 145 Ca 0.72 -1.26 0.29 0.00 -0.52 0.00 0.00 52.55 51.77 1f2h s ASP 145 Cb -0.08 0.48 1.20 0.00 -1.46 0.00 0.00 42.92 43.06 1f2h s ASP 145 CO 0.55 -0.32 1.83 0.54 0.52 0.00 0.00 175.17 178.29 1f2h n ARG 146 N 4.69 1.55 -0.38 4.34 1.74 -1.26 -4.10 116.66 123.25 1f2h n ARG 146 Ca 0.05 -0.80 -0.02 0.00 -0.77 0.00 0.00 57.85 56.32 1f2h n ARG 146 Cb 0.45 -1.48 0.11 0.00 -1.02 0.00 0.00 32.46 30.52 1f2h n ARG 146 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1f2h h LEU 147 N 1.94 1.16 -1.66 0.55 3.38 -2.02 -2.53 115.31 116.12 1f2h h LEU 147 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1f2h h LEU 147 Cb 0.41 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1f2h h LEU 147 CO 0.00 0.84 -0.14 0.54 0.09 0.00 0.00 178.44 179.77 1f2h n ARG 148 N -4.38 2.00 -0.49 1.13 1.74 -1.26 -4.28 116.66 111.12 1f2h n ARG 148 Ca 0.12 -1.66 0.08 0.00 -0.77 0.00 0.00 57.85 55.62 1f2h n ARG 148 Cb 0.01 -1.46 0.27 0.00 -1.02 0.00 0.00 32.46 30.26 1f2h n ARG 148 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1f2h n ASP 149 N 0.95 4.06 -0.38 0.55 8.00 -0.98 -4.65 116.55 124.11 1f2h n ASP 149 Ca 0.13 -3.02 -0.02 0.00 0.71 0.00 0.00 54.79 52.58 1f2h n ASP 149 Cb 0.56 -0.56 0.11 0.00 -0.02 0.00 0.00 41.12 41.21 1f2h n ASP 149 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1f2h h GLU 150 N 2.00 1.33 -0.42 -1.24 5.08 -1.69 -1.54 114.58 118.10 1f2h h GLU 150 Ca 0.00 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 1f2h h GLU 150 Cb 1.50 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1f2h h GLU 150 CO 0.25 0.88 -0.32 0.93 -1.00 0.00 0.00 179.01 179.75 1f2h h GLU 151 N 1.36 0.97 -0.80 2.33 5.08 -1.91 -3.06 114.58 118.56 1f2h h GLU 151 Ca 0.37 -0.47 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1f2h h GLU 151 Cb -0.15 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 1f2h h GLU 151 CO -0.08 1.14 0.31 -0.07 -1.00 0.00 0.00 179.01 179.31 1f2h h LEU 152 N 0.80 1.11 -1.01 1.33 3.38 -1.77 -2.07 115.31 117.08 1f2h h LEU 152 Ca 0.08 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1f2h h LEU 152 Cb 0.91 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1f2h h LEU 152 CO 0.09 0.99 0.67 0.00 0.09 0.00 0.00 178.44 180.27 1f2h h ALA 153 N 1.17 1.28 -0.43 1.53 0.00 -1.22 -0.87 119.26 120.71 1f2h h ALA 153 Ca 0.27 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 1f2h h ALA 153 Cb 0.23 -0.41 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1f2h h ALA 153 CO -0.02 0.67 -0.31 0.93 0.00 0.00 0.00 179.25 180.51 1f2h h GLU 154 N 1.37 0.97 -0.49 0.00 5.08 -1.39 -1.84 114.58 118.29 1f2h h GLU 154 Ca 0.37 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1f2h h GLU 154 Cb -0.16 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1f2h h GLU 154 CO -0.08 1.14 0.27 1.25 -1.00 0.00 0.00 179.01 180.59 1f2h h LEU 155 N 0.81 0.60 -0.82 1.33 6.46 -0.72 -0.49 115.31 122.49 1f2h h LEU 155 Ca 0.08 -0.08 -0.12 0.00 -0.12 0.00 0.00 57.88 57.64 1f2h h LEU 155 Cb 0.90 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 1f2h h LEU 155 CO 0.08 0.51 -0.47 1.05 -0.62 0.00 0.00 178.44 178.99 1f2h h GLU 156 N 0.65 0.27 -0.58 1.25 4.11 -1.13 -1.96 114.58 117.19 1f2h h GLU 156 Ca 0.17 -0.15 -0.11 0.00 0.07 0.00 0.00 59.36 59.35 1f2h h GLU 156 Cb 0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1f2h h GLU 156 CO -0.03 0.69 -0.06 -0.44 0.07 0.00 0.00 179.01 179.24 1f2h h ASP 157 N 0.22 1.06 -0.20 3.06 3.32 -0.92 -1.93 116.42 121.02 1f2h h ASP 157 Ca 0.01 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 56.63 1f2h h ASP 157 Cb 0.92 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1f2h h ASP 157 CO 0.08 1.14 -0.20 0.00 -1.72 0.00 0.00 179.24 178.53 1f2h h ALA 158 N 0.96 1.02 -0.71 3.45 0.00 -0.91 -2.67 119.26 120.40 1f2h h ALA 158 Ca 0.16 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1f2h h ALA 158 Cb 0.63 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1f2h h ALA 158 CO 0.04 0.59 0.31 1.25 0.00 0.00 0.00 179.25 181.44 1f2h h LEU 159 N 0.57 0.94 -0.72 0.00 5.85 -0.98 -2.80 115.31 118.16 1f2h h LEU 159 Ca 0.09 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1f2h h LEU 159 Cb 0.66 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1f2h h LEU 159 CO 0.05 0.82 0.47 -0.09 -0.34 0.00 0.00 178.44 179.35 1f2h h ARG 160 N 1.02 0.93 -0.63 1.25 2.43 -1.00 -2.40 114.38 115.97 1f2h h ARG 160 Ca 0.24 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 1f2h h ARG 160 Cb 0.15 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1f2h h ARG 160 CO -0.03 0.61 0.07 -0.91 -1.51 0.00 0.00 179.97 178.21 1f2h h ASN 161 N 0.95 1.04 -0.90 -3.80 2.35 -1.46 -2.99 115.58 110.77 1f2h h ASN 161 Ca 0.27 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1f2h h ASN 161 Cb -0.08 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 37.97 1f2h h ASN 161 CO -0.07 1.06 0.48 -0.07 -1.65 0.00 0.00 177.43 177.18 1f2h h LEU 162 N 0.99 1.13 -9.54 1.61 3.38 -1.27 -3.41 115.31 108.20 1f2h h LEU 162 Ca 0.19 -0.11 -0.53 0.00 0.09 0.00 0.00 57.88 57.53 1f2h h LEU 162 Cb 0.48 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1f2h h LEU 162 CO 0.02 0.91 0.33 -0.75 0.09 0.00 0.00 178.44 179.04 1f2h s LYS 163 N -5.82 4.64 -0.49 1.13 2.20 -0.94 -5.00 119.74 115.47 1f2h s LYS 163 Ca -0.13 1.38 0.07 0.00 -0.36 0.00 0.00 55.97 56.93 1f2h s LYS 163 Cb 0.17 -3.39 0.23 0.00 -1.51 0.00 0.00 37.83 33.33 1f2h s LYS 163 CO 0.83 0.18 0.55 0.00 -0.36 0.00 0.00 175.35 176.55 1f2h n GLY 165 N 1.56 -1.44 3.50 0.00 0.00 -1.26 -4.53 105.19 103.03 1f2h n GLY 165 Ca 0.25 -1.69 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 1f2h n GLY 165 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1f2h n SER 166 N -3.65 -5.98 -4.77 1.61 2.88 -1.26 -4.92 113.62 97.54 1f2h n SER 166 Ca 0.12 -0.77 -0.36 0.00 -1.33 0.00 0.00 58.87 56.53 1f2h n SER 166 Cb 0.42 -3.82 0.01 0.00 -0.75 0.00 0.00 64.21 60.07 1f2h n SER 166 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1f2h s GLY 167 N -3.29 2.69 0.43 0.46 0.00 -1.26 -4.91 107.32 101.43 1f2h s GLY 167 Ca 0.32 0.90 0.14 0.00 0.00 0.00 0.00 44.72 46.08 1f2h s GLY 167 CO 0.83 1.28 1.95 0.00 0.00 0.00 0.00 173.10 177.16 1f2h h ALA 168 N 1.18 1.62 -0.03 3.20 0.00 -1.97 -3.56 119.26 119.70 1f2h h ALA 168 Ca -0.50 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1f2h h ALA 168 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1f2h h ALA 168 CO 0.57 0.29 0.00 0.54 0.00 0.00 0.00 179.25 180.64