#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l2h s SER 5 N 0.00 -0.21 0.03 0.55 1.04 -1.26 -1.58 113.70 112.26 1l2h s SER 5 Ca 0.00 -0.48 0.07 0.00 0.48 0.00 0.00 55.95 56.02 1l2h s SER 5 Cb 0.00 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 1l2h s SER 5 CO 0.00 -0.97 -0.19 -0.76 0.98 0.00 0.00 173.24 172.30 1l2h s LEU 6 N -2.86 2.13 -0.20 2.42 1.43 0.57 -4.96 118.68 117.21 1l2h s LEU 6 Ca 0.08 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 1l2h s LEU 6 Cb 0.00 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 1l2h s LEU 6 CO -0.05 0.16 0.22 0.20 0.23 0.00 0.00 176.35 177.11 1l2h s ASN 7 N -0.98 6.28 0.24 2.29 0.01 -1.26 -0.80 114.94 120.72 1l2h s ASN 7 Ca 0.07 0.31 -0.21 0.00 -0.71 0.00 0.00 52.86 52.32 1l2h s ASN 7 Cb -0.08 -2.14 0.03 0.00 0.41 0.00 0.00 41.25 39.47 1l2h s ASN 7 CO 0.01 0.09 0.66 0.00 -1.51 0.00 0.00 177.10 176.34 1l2h s THR 9 N -3.88 2.76 -0.04 0.00 -4.23 0.43 -0.68 115.64 110.00 1l2h s THR 9 Ca 0.09 -2.07 0.05 0.00 -1.18 0.00 0.00 61.69 58.58 1l2h s THR 9 Cb -0.04 -2.69 -0.01 0.00 1.34 0.00 0.00 72.50 71.11 1l2h s THR 9 CO 0.02 -0.29 -0.19 -0.76 -0.54 0.00 0.00 174.62 172.86 1l2h s LEU 10 N -3.65 1.97 0.06 4.79 1.43 -1.26 -1.03 118.68 120.98 1l2h s LEU 10 Ca 0.33 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 53.10 1l2h s LEU 10 Cb -0.03 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.11 1l2h s LEU 10 CO 0.18 0.19 -0.17 -0.13 0.23 0.00 0.00 176.35 176.65 1l2h s ARG 11 N -0.08 1.06 1.02 1.70 0.52 -0.17 -4.14 118.95 118.86 1l2h s ARG 11 Ca -0.02 -0.90 -0.16 0.00 -0.52 0.00 0.00 55.73 54.13 1l2h s ARG 11 Cb -0.11 -1.14 0.21 0.00 0.52 0.00 0.00 34.95 34.42 1l2h s ARG 11 CO 0.02 0.28 1.19 0.16 0.02 0.00 0.00 175.30 176.97 1l2h s ASP 12 N -1.36 2.54 0.00 0.23 1.47 -0.20 -0.41 116.67 118.93 1l2h s ASP 12 Ca 0.03 0.63 0.11 0.00 1.18 0.00 0.00 52.55 54.50 1l2h s ASP 12 Cb -0.09 -0.92 0.50 0.00 -0.34 0.00 0.00 42.92 42.07 1l2h s ASP 12 CO 0.02 -3.12 1.31 -1.54 0.68 0.00 0.00 175.17 172.52 1l2h n SER 13 N -4.09 0.00 -1.69 2.11 3.41 0.07 -0.33 113.62 113.10 1l2h n SER 13 Ca 0.12 0.35 0.08 0.00 -0.26 0.00 0.00 58.87 59.16 1l2h n SER 13 Cb 0.59 -0.41 0.37 0.00 -0.26 0.00 0.00 64.21 64.50 1l2h n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1l2h n GLN 14 N -1.41 4.14 -2.19 4.33 1.13 -1.26 -4.94 117.38 117.17 1l2h n GLN 14 Ca 0.04 -2.91 -0.20 0.00 -1.94 0.00 0.00 57.00 51.98 1l2h n GLN 14 Cb 0.11 -2.04 -0.03 0.00 0.11 0.00 0.00 30.24 28.40 1l2h n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1l2h n GLN 15 N 0.92 -1.58 -2.82 -1.09 1.13 0.55 -4.96 117.38 109.53 1l2h n GLN 15 Ca 0.26 1.05 -0.41 0.00 -1.94 0.00 0.00 57.00 55.96 1l2h n GLN 15 Cb 1.00 -5.61 -0.04 0.00 0.11 0.00 0.00 30.24 25.69 1l2h n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1l2h s LYS 16 N -4.70 4.56 0.59 -1.09 1.02 -1.26 -4.64 119.74 114.21 1l2h s LYS 16 Ca 0.00 1.27 -0.06 0.00 0.02 0.00 0.00 55.97 57.20 1l2h s LYS 16 Cb 0.00 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 1l2h s LYS 16 CO 0.00 0.08 0.90 -1.12 -0.92 0.00 0.00 175.35 174.29 1l2h s SER 17 N 0.59 5.67 -0.16 2.83 0.01 0.11 -1.04 113.70 121.71 1l2h s SER 17 Ca 0.46 0.78 -0.04 0.00 1.31 0.00 0.00 55.95 58.46 1l2h s SER 17 Cb -0.21 -1.80 -0.03 0.00 0.21 0.00 0.00 66.02 64.20 1l2h s SER 17 CO 0.26 -1.02 -0.02 -0.76 0.41 0.00 0.00 173.24 172.11 1l2h s LEU 18 N -4.99 3.35 0.04 2.44 1.43 -1.26 -1.16 118.68 118.53 1l2h s LEU 18 Ca 0.53 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 1l2h s LEU 18 Cb -0.11 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 1l2h s LEU 18 CO 0.46 0.17 -0.07 0.68 0.23 0.00 0.00 176.35 177.82 1l2h s VAL 19 N 0.35 0.49 0.23 -1.59 -7.23 -0.60 -0.50 120.40 111.56 1l2h s VAL 19 Ca -0.03 -1.16 -0.32 0.00 -1.81 0.00 0.00 61.98 58.67 1l2h s VAL 19 Cb -0.14 -0.69 -0.13 0.00 0.56 0.00 0.00 36.38 35.98 1l2h s VAL 19 CO 0.02 -0.46 1.49 0.23 -0.31 0.00 0.00 175.10 176.08 1l2h n MET 20 N 1.30 2.23 -3.84 4.82 2.81 -1.26 -0.42 117.12 122.75 1l2h n MET 20 Ca -0.22 0.80 -0.33 0.00 -1.81 0.00 0.00 57.70 56.14 1l2h n MET 20 Cb 0.55 -2.51 -0.12 0.00 -0.71 0.00 0.00 33.22 30.43 1l2h n MET 20 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1l2h s SER 21 N 0.50 4.74 0.21 7.83 0.15 0.16 -4.67 113.70 122.62 1l2h s SER 21 Ca 0.70 -2.95 0.00 0.00 0.70 0.00 0.00 55.95 54.39 1l2h s SER 21 Cb -0.62 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1l2h s SER 21 CO 0.46 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1l2h n GLY 22 N 3.27 -1.92 0.20 9.45 0.00 -1.26 -2.87 105.19 112.06 1l2h n GLY 22 Ca 0.06 -1.35 0.09 0.00 0.00 0.00 0.00 46.02 44.82 1l2h n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l2h h PRO 23 N 0.00 0.00 0.00 1.61 0.13 -2.01 -3.36 132.00 128.37 1l2h h PRO 23 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1l2h h PRO 23 Cb 0.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.27 1l2h h PRO 23 CO 0.00 0.23 -0.14 0.66 -0.23 0.00 0.00 178.00 178.52 1l2h n TYR 24 N -3.23 0.00 -4.14 1.56 0.53 -1.26 -4.93 117.16 105.69 1l2h n TYR 24 Ca 0.02 -0.54 -0.09 0.00 -1.02 0.00 0.00 57.90 56.26 1l2h n TYR 24 Cb 0.54 -0.09 -0.10 0.00 -1.03 0.00 0.00 39.34 38.66 1l2h n TYR 24 CO 0.00 0.00 0.00 -1.21 -1.02 0.00 0.00 176.86 174.63 1l2h s GLU 25 N -1.49 0.82 0.14 -0.72 8.01 -1.14 -1.54 118.70 122.79 1l2h s GLU 25 Ca 0.15 -1.36 0.10 0.00 0.01 0.00 0.00 54.97 53.87 1l2h s GLU 25 Cb 0.13 0.11 -0.04 0.00 -4.31 0.00 0.00 34.13 30.02 1l2h s GLU 25 CO 0.01 -0.16 -0.22 -0.51 0.01 0.00 0.00 175.26 174.40 1l2h s LEU 26 N -3.02 2.52 0.23 1.80 1.43 -1.26 0.40 118.68 120.78 1l2h s LEU 26 Ca 0.16 -0.70 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1l2h s LEU 26 Cb 0.07 -1.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.89 1l2h s LEU 26 CO -0.03 0.16 -0.02 -0.54 0.23 0.00 0.00 176.35 176.15 1l2h s LYS 27 N -2.29 1.33 -0.05 1.70 1.02 0.44 -0.86 119.74 121.04 1l2h s LYS 27 Ca 0.18 -1.66 0.05 0.00 0.02 0.00 0.00 55.97 54.55 1l2h s LYS 27 Cb -0.10 -0.66 -0.01 0.00 -0.52 0.00 0.00 37.83 36.55 1l2h s LYS 27 CO 0.09 -0.07 -0.20 0.00 -0.92 0.00 0.00 175.35 174.25 1l2h s ALA 28 N -3.38 1.74 0.24 5.17 0.00 -0.55 -1.55 121.76 123.42 1l2h s ALA 28 Ca 0.27 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 51.24 1l2h s ALA 28 Cb 0.05 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1l2h s ALA 28 CO 0.08 0.33 0.58 -0.48 0.00 0.00 0.00 175.76 176.27 1l2h s LEU 29 N -0.06 0.01 -0.50 0.00 0.05 -0.31 -1.19 118.68 116.67 1l2h s LEU 29 Ca -0.03 -0.63 -0.29 0.00 0.05 0.00 0.00 54.13 53.24 1l2h s LEU 29 Cb -0.12 2.25 0.03 0.00 -2.05 0.00 0.00 46.19 46.30 1l2h s LEU 29 CO 0.02 -1.17 1.18 -1.00 -0.55 0.00 0.00 176.35 174.84 1l2h s HIS 30 N -3.92 2.72 -0.11 3.48 3.76 -1.26 0.05 115.29 120.01 1l2h s HIS 30 Ca 0.13 0.63 0.00 0.00 -0.15 0.00 0.00 55.06 55.68 1l2h s HIS 30 Cb -0.03 -4.45 -0.02 0.00 1.11 0.00 0.00 32.58 29.19 1l2h s HIS 30 CO 0.03 -1.43 -0.11 -0.51 -0.85 0.00 0.00 174.74 171.87 1l2h s LEU 31 N 4.71 2.85 0.04 0.89 1.43 -1.26 -4.98 118.68 122.36 1l2h s LEU 31 Ca 0.48 -0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1l2h s LEU 31 Cb -0.08 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1l2h s LEU 31 CO 0.30 0.23 0.05 -1.58 0.23 0.00 0.00 176.35 175.58 1l2h s GLN 32 N -0.02 0.57 4.10 1.70 0.74 -1.26 -4.87 119.66 120.62 1l2h s GLN 32 Ca -0.02 -0.87 0.00 0.00 0.05 0.00 0.00 55.36 54.52 1l2h s GLN 32 Cb -0.14 0.21 0.00 0.00 1.10 0.00 0.00 33.01 34.18 1l2h s GLN 32 CO 0.04 -0.13 0.00 0.41 -0.55 0.00 0.00 175.29 175.06 1l2h n GLY 33 N 0.67 0.93 0.37 2.59 0.00 -1.26 -3.82 105.19 104.68 1l2h n GLY 33 Ca -0.18 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.23 1l2h n GLY 33 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1l2h h GLN 34 N 0.00 0.59 0.00 1.61 3.07 -2.05 -0.45 115.11 117.88 1l2h h GLN 34 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.70 1l2h h GLN 34 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 27.43 1l2h h GLN 34 CO 0.00 0.39 0.00 -0.25 0.09 0.00 0.00 178.83 179.06 1l2h n ASP 35 N -4.54 0.00 0.27 0.06 9.92 -1.25 -2.18 116.55 118.83 1l2h n ASP 35 Ca 0.17 0.21 0.13 0.00 -0.53 0.00 0.00 54.79 54.77 1l2h n ASP 35 Cb 0.49 -0.33 0.74 0.00 -0.64 0.00 0.00 41.12 41.38 1l2h n ASP 35 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 1l2h h MET 36 N 0.00 0.00 0.00 -1.24 2.86 -1.25 -2.94 114.93 112.36 1l2h h MET 36 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1l2h h MET 36 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1l2h h MET 36 CO 0.00 0.11 0.00 0.39 1.06 0.00 0.00 176.91 178.47 1l2h n GLU 37 N -3.58 0.14 0.31 1.72 -0.58 -0.93 -1.12 120.64 116.60 1l2h n GLU 37 Ca -0.02 0.49 0.18 0.00 -0.42 0.00 0.00 57.16 57.39 1l2h n GLU 37 Cb 0.24 -1.83 0.99 0.00 -0.57 0.00 0.00 31.44 30.27 1l2h n GLU 37 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1l2h h GLN 38 N 0.00 0.00 -7.04 3.49 4.20 -1.78 -3.46 115.11 110.52 1l2h h GLN 38 Ca 0.00 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.25 1l2h h GLN 38 Cb 0.18 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.97 1l2h h GLN 38 CO 0.00 0.02 0.38 1.14 -0.67 0.00 0.00 178.83 179.69 1l2h s GLN 39 N -4.38 4.03 0.25 1.46 -2.07 -0.28 -4.61 119.66 114.06 1l2h s GLN 39 Ca -0.05 1.33 -0.30 0.00 -1.82 0.00 0.00 55.36 54.53 1l2h s GLN 39 Cb 0.14 -2.24 -0.10 0.00 -1.09 0.00 0.00 33.01 29.72 1l2h s GLN 39 CO 0.50 -0.23 1.36 0.08 -1.32 0.00 0.00 175.29 175.68 1l2h s VAL 40 N -1.95 2.90 -0.22 3.63 1.01 0.34 -4.98 120.40 121.13 1l2h s VAL 40 Ca 0.63 0.78 -0.08 0.00 0.00 0.00 0.00 61.98 63.31 1l2h s VAL 40 Cb -0.16 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1l2h s VAL 40 CO 0.20 0.13 0.08 -0.69 0.00 0.00 0.00 175.10 174.82 1l2h s VAL 41 N -0.22 4.64 0.10 2.92 1.01 -1.26 -4.65 120.40 122.94 1l2h s VAL 41 Ca 0.56 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 1l2h s VAL 41 Cb -0.39 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1l2h s VAL 41 CO 0.43 0.39 0.31 0.26 0.00 0.00 0.00 175.10 176.49 1l2h s TRP 42 N 1.04 3.51 -0.39 5.22 0.52 0.14 -0.83 118.94 128.15 1l2h s TRP 42 Ca 0.04 0.48 -0.09 0.00 0.02 0.00 0.00 56.10 56.55 1l2h s TRP 42 Cb -0.14 -1.94 0.06 0.00 -1.15 0.00 0.00 33.47 30.30 1l2h s TRP 42 CO 0.03 0.51 0.22 -1.12 0.02 0.00 0.00 176.95 176.61 1l2h s SER 43 N -2.32 5.59 -0.43 2.95 0.01 0.55 -0.63 113.70 119.43 1l2h s SER 43 Ca 0.37 -1.33 -0.23 0.00 1.31 0.00 0.00 55.95 56.07 1l2h s SER 43 Cb -0.13 -1.97 0.02 0.00 0.21 0.00 0.00 66.02 64.16 1l2h s SER 43 CO 0.24 -0.47 0.77 -0.32 0.41 0.00 0.00 173.24 173.87 1l2h s MET 44 N 1.44 3.46 0.01 12.44 1.75 0.02 -1.91 119.30 136.52 1l2h s MET 44 Ca 0.02 -0.05 -0.03 0.00 -1.25 0.00 0.00 55.69 54.38 1l2h s MET 44 Cb -0.21 -3.91 -0.04 0.00 2.84 0.00 0.00 34.83 33.50 1l2h s MET 44 CO 0.03 -1.05 0.20 -1.12 -0.65 0.00 0.00 175.02 172.43 1l2h s SER 45 N 2.07 6.38 -0.44 1.11 0.01 -0.27 -0.32 113.70 122.24 1l2h s SER 45 Ca 0.29 0.36 -0.16 0.00 1.31 0.00 0.00 55.95 57.75 1l2h s SER 45 Cb -0.12 -2.00 0.04 0.00 0.21 0.00 0.00 66.02 64.14 1l2h s SER 45 CO 0.21 0.24 0.37 -0.36 0.41 0.00 0.00 173.24 174.11 1l2h s PHE 46 N -1.37 3.22 0.50 2.43 0.40 -0.61 -1.03 117.98 121.51 1l2h s PHE 46 Ca 0.29 -0.69 0.06 0.00 -0.60 0.00 0.00 56.93 55.99 1l2h s PHE 46 Cb -0.13 -2.91 0.01 0.00 0.51 0.00 0.00 43.02 40.50 1l2h s PHE 46 CO 0.21 -0.71 0.31 0.14 0.70 0.00 0.00 175.22 175.87 1l2h s VAL 47 N 1.78 1.86 0.47 -0.44 -7.23 -0.90 -4.47 120.40 111.46 1l2h s VAL 47 Ca 0.06 -1.57 -0.21 0.00 -1.81 0.00 0.00 61.98 58.45 1l2h s VAL 47 Cb -0.21 -2.43 -0.09 0.00 0.56 0.00 0.00 36.38 34.21 1l2h s VAL 47 CO 0.09 0.00 1.05 -1.10 -0.31 0.00 0.00 175.10 174.83 1l2h s GLN 48 N -4.14 3.87 0.00 4.82 -1.52 0.10 -4.68 119.66 118.11 1l2h s GLN 48 Ca 0.34 1.41 0.00 0.00 -1.95 0.00 0.00 55.36 55.16 1l2h s GLN 48 Cb -0.01 -2.20 0.00 0.00 -0.22 0.00 0.00 33.01 30.59 1l2h s GLN 48 CO 0.20 -0.38 0.00 0.41 -0.25 0.00 0.00 175.29 175.27 1l2h n GLY 49 N -0.10 2.60 3.76 3.09 0.00 -1.26 -4.80 105.19 108.48 1l2h n GLY 49 Ca 0.08 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 1l2h n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1l2h s GLU 50 N -2.05 3.39 0.14 1.61 2.12 -1.26 -4.83 118.70 117.82 1l2h s GLU 50 Ca 0.00 2.04 -0.02 0.00 0.36 0.00 0.00 54.97 57.36 1l2h s GLU 50 Cb 0.00 -2.32 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 1l2h s GLU 50 CO 0.00 -0.93 0.08 -2.00 -0.54 0.00 0.00 175.26 171.87 1l2h s GLU 51 N -2.82 0.99 0.35 4.30 2.12 -1.26 -4.37 118.70 118.00 1l2h s GLU 51 Ca 0.68 -1.45 -0.09 0.00 0.36 0.00 0.00 54.97 54.48 1l2h s GLU 51 Cb -0.36 0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.31 1l2h s GLU 51 CO 0.42 -0.29 0.59 -1.54 -0.54 0.00 0.00 175.26 173.90 1l2h s SER 52 N -3.06 0.47 0.00 -1.70 1.04 -1.26 -4.99 113.70 104.20 1l2h s SER 52 Ca 0.26 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1l2h s SER 52 Cb 0.07 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1l2h s SER 52 CO 0.03 -1.42 0.27 0.59 0.98 0.00 0.00 173.24 173.70 1l2h n ASN 53 N -1.27 0.72 0.00 7.02 3.02 -1.26 -4.50 115.26 118.99 1l2h n ASN 53 Ca -0.03 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1l2h n ASN 53 Cb 0.61 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1l2h n ASN 53 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1l2h n LYS 55 N 0.58 0.00 -3.94 3.52 5.02 -1.21 -4.96 118.16 117.16 1l2h n LYS 55 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1l2h n LYS 55 Cb 0.13 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.00 1l2h n LYS 55 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1l2h s ILE 56 N 0.00 3.11 0.10 -0.18 -1.09 -0.40 -4.38 121.20 118.35 1l2h s ILE 56 Ca 0.00 -0.66 -0.31 0.00 -2.23 0.00 0.00 60.65 57.45 1l2h s ILE 56 Cb 0.00 -2.44 -0.07 0.00 -1.58 0.00 0.00 42.46 38.37 1l2h s ILE 56 CO 0.00 0.39 1.26 -2.84 -1.23 0.00 0.00 174.94 172.52 1l2h s PRO 57 N 1.42 4.40 0.09 2.79 0.02 -1.26 -0.57 135.00 141.90 1l2h s PRO 57 Ca 0.05 1.89 -0.01 0.00 0.02 0.00 0.00 61.00 62.95 1l2h s PRO 57 Cb -0.15 -3.30 -0.04 0.00 0.02 0.00 0.00 34.50 31.04 1l2h s PRO 57 CO -0.05 -0.29 -0.00 0.14 -0.33 0.00 0.00 177.00 176.46 1l2h s VAL 58 N 0.91 0.25 0.07 3.83 -7.23 0.26 -2.13 120.40 116.38 1l2h s VAL 58 Ca 0.60 -1.86 0.10 0.00 -1.81 0.00 0.00 61.98 59.00 1l2h s VAL 58 Cb -0.32 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 1l2h s VAL 58 CO 0.31 -0.78 -0.26 0.00 -0.31 0.00 0.00 175.10 174.05 1l2h s ALA 59 N -3.92 2.29 -0.30 1.32 0.00 -0.20 -0.42 121.76 120.52 1l2h s ALA 59 Ca 0.14 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.80 1l2h s ALA 59 Cb 0.07 -0.44 0.08 0.00 0.00 0.00 0.00 23.12 22.84 1l2h s ALA 59 CO -0.05 0.53 -0.02 -0.51 0.00 0.00 0.00 175.76 175.72 1l2h s LEU 60 N -1.52 3.99 0.05 0.00 1.43 -1.26 -1.12 118.68 120.25 1l2h s LEU 60 Ca 0.12 -1.77 0.08 0.00 -1.03 0.00 0.00 54.13 51.53 1l2h s LEU 60 Cb -0.10 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 1l2h s LEU 60 CO 0.03 -0.30 -0.20 -0.83 0.23 0.00 0.00 176.35 175.29 1l2h s GLY 61 N 1.04 1.56 0.22 -3.19 0.00 -0.80 -0.92 107.32 105.24 1l2h s GLY 61 Ca 0.02 -1.24 -0.31 0.00 0.00 0.00 0.00 44.72 43.19 1l2h s GLY 61 CO -0.07 -1.14 1.67 1.08 0.00 0.00 0.00 173.10 174.64 1l2h s LEU 62 N -1.53 4.36 0.22 0.66 1.02 -0.35 -0.33 118.68 122.74 1l2h s LEU 62 Ca 0.15 2.86 -0.31 0.00 0.02 0.00 0.00 54.13 56.84 1l2h s LEU 62 Cb -0.10 -3.61 -0.11 0.00 0.02 0.00 0.00 46.19 42.39 1l2h s LEU 62 CO 0.05 -0.94 1.62 -0.75 0.02 0.00 0.00 176.35 176.35 1l2h s LYS 63 N 0.77 4.16 -1.98 1.70 2.20 -0.01 -1.78 119.74 124.80 1l2h s LYS 63 Ca 0.71 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.82 1l2h s LYS 63 Cb -0.49 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1l2h s LYS 63 CO 0.36 -0.64 0.00 0.39 -0.36 0.00 0.00 175.35 175.09 1l2h n GLU 64 N 3.32 -1.44 -4.44 4.03 1.02 -1.26 -4.97 120.64 116.91 1l2h n GLU 64 Ca 0.12 1.10 -0.21 0.00 -0.02 0.00 0.00 57.16 58.15 1l2h n GLU 64 Cb 0.37 -5.47 -0.14 0.00 -0.02 0.00 0.00 31.44 26.19 1l2h n GLU 64 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1l2h s LYS 65 N -3.68 1.05 -0.90 3.49 1.02 -0.73 -5.04 119.74 114.95 1l2h s LYS 65 Ca 0.00 -0.78 -0.06 0.00 0.02 0.00 0.00 55.97 55.15 1l2h s LYS 65 Cb 0.00 -1.08 0.00 0.00 -0.52 0.00 0.00 37.83 36.23 1l2h s LYS 65 CO 0.00 0.27 2.80 0.27 -0.92 0.00 0.00 175.35 177.77 1l2h n ASN 66 N 1.94 7.25 -3.81 2.83 6.94 -1.26 -4.32 115.26 124.83 1l2h n ASN 66 Ca -0.18 -2.96 -0.18 0.00 -0.02 0.00 0.00 54.58 51.24 1l2h n ASN 66 Cb 0.54 -1.37 -0.16 0.00 -2.36 0.00 0.00 39.78 36.43 1l2h n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1l2h s LEU 67 N -1.41 1.03 0.01 -4.53 1.43 -1.26 -1.84 118.68 112.11 1l2h s LEU 67 Ca 0.60 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.72 1l2h s LEU 67 Cb 0.27 -0.26 -0.01 0.00 0.03 0.00 0.00 46.19 46.21 1l2h s LEU 67 CO -0.11 -0.12 -0.14 -0.31 0.23 0.00 0.00 176.35 175.90 1l2h s TYR 68 N 1.21 1.25 0.32 0.29 1.51 -0.47 -1.21 117.35 120.25 1l2h s TYR 68 Ca -0.07 -0.28 -0.29 0.00 -1.01 0.00 0.00 57.07 55.42 1l2h s TYR 68 Cb -0.13 -0.78 -0.10 0.00 -0.11 0.00 0.00 41.96 40.83 1l2h s TYR 68 CO -0.02 0.00 1.36 -0.51 -1.11 0.00 0.00 175.55 175.27 1l2h s LEU 69 N -0.62 4.40 0.10 -1.29 1.43 -0.10 -0.33 118.68 122.27 1l2h s LEU 69 Ca 0.04 2.75 -0.13 0.00 -1.03 0.00 0.00 54.13 55.76 1l2h s LEU 69 Cb -0.06 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.53 1l2h s LEU 69 CO 0.00 -0.63 0.30 -0.94 0.23 0.00 0.00 176.35 175.32 1l2h s SER 70 N -0.27 -0.07 -0.20 2.29 1.04 0.33 -4.47 113.70 112.35 1l2h s SER 70 Ca 0.52 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 56.48 1l2h s SER 70 Cb -0.41 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.13 1l2h s SER 70 CO 0.53 -0.79 -0.13 0.00 0.98 0.00 0.00 173.24 173.83 1l2h s VAL 72 N 1.33 0.22 -0.02 0.00 -7.23 -0.37 -4.68 120.40 109.65 1l2h s VAL 72 Ca 0.04 -1.86 -0.30 0.00 -1.81 0.00 0.00 61.98 58.05 1l2h s VAL 72 Cb -0.14 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 1l2h s VAL 72 CO -0.09 -0.76 0.98 -0.76 -0.31 0.00 0.00 175.10 174.16 1l2h s LEU 73 N -2.99 4.35 -0.08 1.32 1.43 -1.26 -0.04 118.68 121.40 1l2h s LEU 73 Ca 0.15 1.63 -0.02 0.00 -1.03 0.00 0.00 54.13 54.86 1l2h s LEU 73 Cb 0.08 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.77 1l2h s LEU 73 CO -0.04 -0.29 0.01 -0.75 0.23 0.00 0.00 176.35 175.50 1l2h s LYS 74 N 1.20 0.54 -1.49 1.70 2.20 -0.60 -4.71 119.74 118.58 1l2h s LYS 74 Ca 0.51 0.08 -0.06 0.00 -0.36 0.00 0.00 55.97 56.14 1l2h s LYS 74 Cb -0.20 -1.06 0.02 0.00 -1.51 0.00 0.00 37.83 35.08 1l2h s LYS 74 CO 0.26 -0.34 0.65 -0.25 -0.36 0.00 0.00 175.35 175.30 1l2h n ASP 75 N 5.15 -5.66 -1.04 1.43 8.00 -1.26 -2.11 116.55 121.07 1l2h n ASP 75 Ca -0.07 -0.34 -0.14 0.00 0.71 0.00 0.00 54.79 54.95 1l2h n ASP 75 Cb 0.50 -4.57 -0.06 0.00 -0.02 0.00 0.00 41.12 36.96 1l2h n ASP 75 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1l2h n ASP 76 N -2.54 -4.89 -4.20 -2.24 8.00 -1.26 -5.00 116.55 104.42 1l2h n ASP 76 Ca -0.08 0.33 -0.21 0.00 0.71 0.00 0.00 54.79 55.54 1l2h n ASP 76 Cb 0.60 -3.58 -0.13 0.00 -0.02 0.00 0.00 41.12 37.99 1l2h n ASP 76 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1l2h s LYS 77 N -3.08 1.01 0.07 -1.24 1.02 -0.90 -5.05 119.74 111.57 1l2h s LYS 77 Ca 0.00 -0.95 -0.33 0.00 0.02 0.00 0.00 55.97 54.70 1l2h s LYS 77 Cb 0.00 -1.10 -0.12 0.00 -0.52 0.00 0.00 37.83 36.09 1l2h s LYS 77 CO 0.00 0.26 1.75 -2.30 -0.92 0.00 0.00 175.35 174.14 1l2h n PRO 78 N 1.48 2.32 -4.05 -1.68 -0.02 -1.26 -1.56 135.00 130.23 1l2h n PRO 78 Ca -0.19 0.84 -0.15 0.00 -2.02 0.00 0.00 63.50 61.98 1l2h n PRO 78 Cb 0.54 -2.67 -0.14 0.00 -0.02 0.00 0.00 33.50 31.21 1l2h n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1l2h s THR 79 N 2.44 0.26 -0.09 3.45 2.01 0.94 -4.65 115.64 120.00 1l2h s THR 79 Ca 0.84 -0.13 -0.18 0.00 0.31 0.00 0.00 61.69 62.53 1l2h s THR 79 Cb -0.63 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 1l2h s THR 79 CO 0.42 0.08 0.49 -0.22 -0.69 0.00 0.00 174.62 174.71 1l2h s LEU 80 N 0.01 4.31 0.10 4.42 2.96 -1.26 -1.24 118.68 127.98 1l2h s LEU 80 Ca 0.00 0.88 -0.05 0.00 -0.22 0.00 0.00 54.13 54.75 1l2h s LEU 80 Cb -0.02 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.92 1l2h s LEU 80 CO -0.00 0.04 0.11 0.00 -1.32 0.00 0.00 176.35 175.18 1l2h s GLN 81 N 0.39 0.84 -0.09 1.98 -2.07 -0.15 -4.94 119.66 115.63 1l2h s GLN 81 Ca 0.27 -1.17 -0.11 0.00 -1.82 0.00 0.00 55.36 52.53 1l2h s GLN 81 Cb -0.16 0.29 -0.05 0.00 -1.09 0.00 0.00 33.01 32.00 1l2h s GLN 81 CO 0.12 -0.24 0.25 -0.51 -1.32 0.00 0.00 175.29 173.59 1l2h s LEU 82 N -2.93 4.38 -0.06 2.60 1.43 -0.59 -0.51 118.68 123.00 1l2h s LEU 82 Ca 0.11 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 1l2h s LEU 82 Cb 0.06 -2.29 0.01 0.00 0.03 0.00 0.00 46.19 44.00 1l2h s LEU 82 CO -0.06 0.31 -0.13 -0.70 0.23 0.00 0.00 176.35 176.01 1l2h s GLU 83 N -0.70 1.70 0.33 1.70 2.12 0.55 -4.78 118.70 119.62 1l2h s GLU 83 Ca 0.18 -0.43 -0.28 0.00 0.36 0.00 0.00 54.97 54.80 1l2h s GLU 83 Cb -0.14 -1.41 -0.09 0.00 0.26 0.00 0.00 34.13 32.75 1l2h s GLU 83 CO 0.07 0.04 1.16 -1.12 -0.54 0.00 0.00 175.26 174.87 1l2h s SER 84 N 0.61 6.96 0.20 -1.70 0.01 -1.26 -1.37 113.70 117.15 1l2h s SER 84 Ca -0.14 2.36 0.04 0.00 1.31 0.00 0.00 55.95 59.52 1l2h s SER 84 Cb -0.15 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.40 1l2h s SER 84 CO 0.04 -0.37 -0.05 0.68 0.41 0.00 0.00 173.24 173.95 1l2h s VAL 85 N -1.25 1.14 -0.10 3.43 -7.23 -0.77 -4.97 120.40 110.66 1l2h s VAL 85 Ca 0.49 -2.06 -0.29 0.00 -1.81 0.00 0.00 61.98 58.31 1l2h s VAL 85 Cb -0.33 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 1l2h s VAL 85 CO 0.42 -0.48 1.57 -0.62 -0.31 0.00 0.00 175.10 175.68 1l2h s ASP 86 N -3.26 6.69 0.28 4.85 -1.08 -1.26 -4.83 116.67 118.05 1l2h s ASP 86 Ca 0.24 2.05 0.24 0.00 -0.52 0.00 0.00 52.55 54.56 1l2h s ASP 86 Cb 0.04 -2.53 1.05 0.00 -1.46 0.00 0.00 42.92 40.01 1l2h s ASP 86 CO 0.06 -0.94 1.71 -0.81 0.52 0.00 0.00 175.17 175.72 1l2h n PRO 87 N 7.09 0.19 0.11 4.34 -0.04 -1.26 -1.27 135.00 144.17 1l2h n PRO 87 Ca 0.17 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.23 1l2h n PRO 87 Cb 0.43 -1.91 0.30 0.00 -0.04 0.00 0.00 33.50 32.28 1l2h n PRO 87 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1l2h h LYS 88 N 0.00 0.00 -0.01 0.54 3.64 -2.02 -3.34 116.57 115.38 1l2h h LYS 88 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1l2h h LYS 88 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1l2h h LYS 88 CO 0.00 0.00 -0.25 0.09 -2.27 0.00 0.00 179.45 177.02 1l2h n ASN 89 N -2.37 1.31 -4.17 4.20 5.03 -0.39 -4.98 115.26 113.88 1l2h n ASN 89 Ca 0.05 -1.16 -0.20 0.00 0.87 0.00 0.00 54.58 54.14 1l2h n ASN 89 Cb 0.45 0.48 -0.13 0.00 -1.02 0.00 0.00 39.78 39.57 1l2h n ASN 89 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1l2h s TYR 90 N -1.53 1.28 0.71 3.10 1.51 -1.17 -4.34 117.35 116.92 1l2h s TYR 90 Ca 0.10 -0.40 -0.11 0.00 -1.01 0.00 0.00 57.07 55.64 1l2h s TYR 90 Cb 0.09 -0.74 0.02 0.00 -0.11 0.00 0.00 41.96 41.22 1l2h s TYR 90 CO 0.30 0.06 1.07 -2.14 -1.11 0.00 0.00 175.55 173.73 1l2h s PRO 91 N -1.46 2.79 0.07 -1.71 0.02 -1.26 -4.82 135.00 128.64 1l2h s PRO 91 Ca 0.01 0.89 -0.07 0.00 0.02 0.00 0.00 61.00 61.85 1l2h s PRO 91 Cb -0.09 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 1l2h s PRO 91 CO 0.02 -1.18 0.14 -1.59 -0.33 0.00 0.00 177.00 174.05 1l2h s LYS 92 N -5.07 0.75 0.08 5.54 -2.85 -1.26 -5.08 119.74 111.85 1l2h s LYS 92 Ca 0.58 -0.93 -0.18 0.00 -1.00 0.00 0.00 55.97 54.44 1l2h s LYS 92 Cb -0.14 0.30 -0.10 0.00 -2.06 0.00 0.00 37.83 35.83 1l2h s LYS 92 CO 0.55 -0.21 1.43 0.87 0.10 0.00 0.00 175.35 178.08 1l2h h LYS 93 N 3.03 0.51 -4.19 1.78 1.57 -1.95 -3.36 116.57 113.96 1l2h h LYS 93 Ca -0.34 -0.23 -0.77 0.00 -1.87 0.00 0.00 60.65 57.45 1l2h h LYS 93 Cb 1.19 -0.01 -0.22 0.00 0.08 0.00 0.00 32.23 33.26 1l2h h LYS 93 CO 0.56 0.78 0.98 1.63 -0.57 0.00 0.00 179.45 182.83 1l2h n LYS 94 N -4.48 3.47 -2.80 3.15 4.76 -1.26 0.02 118.16 121.01 1l2h n LYS 94 Ca -0.04 -4.12 -0.33 0.00 -2.87 0.00 0.00 58.31 50.95 1l2h n LYS 94 Cb 0.36 -2.82 -0.06 0.00 -1.84 0.00 0.00 35.03 30.66 1l2h n LYS 94 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1l2h s MET 95 N 0.24 4.16 0.56 1.97 -1.94 -1.26 -5.02 119.30 118.01 1l2h s MET 95 Ca 0.38 1.04 -0.20 0.00 -1.71 0.00 0.00 55.69 55.19 1l2h s MET 95 Cb -0.06 -2.20 -0.05 0.00 2.01 0.00 0.00 34.83 34.53 1l2h s MET 95 CO -0.03 -0.04 1.26 -1.21 -0.01 0.00 0.00 175.02 174.98 1l2h s GLU 96 N -3.28 3.15 0.45 2.03 8.01 -1.26 -4.89 118.70 122.90 1l2h s GLU 96 Ca 0.61 1.97 0.11 0.00 0.01 0.00 0.00 54.97 57.67 1l2h s GLU 96 Cb -0.09 -2.12 1.00 0.00 -4.31 0.00 0.00 34.13 28.61 1l2h s GLU 96 CO 0.16 -1.10 2.07 -0.22 0.01 0.00 0.00 175.26 176.17 1l2h h LYS 97 N 1.28 0.28 -0.02 1.61 3.64 -1.96 -1.19 116.57 120.21 1l2h h LYS 97 Ca -0.50 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1l2h h LYS 97 Cb 1.29 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1l2h h LYS 97 CO 0.57 0.22 0.08 0.07 -2.27 0.00 0.00 179.45 178.12 1l2h h ARG 98 N 0.28 0.00 -0.01 1.90 0.11 -1.91 -1.43 114.38 113.32 1l2h h ARG 98 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 1l2h h ARG 98 Cb 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 1l2h h ARG 98 CO -0.01 0.00 -0.66 1.19 0.10 0.00 0.00 179.97 180.59 1l2h n PHE 99 N -3.20 0.00 -3.41 4.08 3.72 -0.45 -0.55 117.46 117.65 1l2h n PHE 99 Ca -0.02 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.00 1l2h n PHE 99 Cb 0.15 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.61 1l2h n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1l2h s VAL 100 N -2.70 5.19 -0.03 -4.37 1.01 -0.54 -4.38 120.40 114.58 1l2h s VAL 100 Ca 0.15 0.82 0.07 0.00 0.00 0.00 0.00 61.98 63.02 1l2h s VAL 100 Cb 0.17 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1l2h s VAL 100 CO 0.69 0.40 -0.24 -0.36 0.00 0.00 0.00 175.10 175.58 1l2h s PHE 101 N 0.23 2.39 -0.41 5.22 0.40 0.44 -1.22 117.98 125.03 1l2h s PHE 101 Ca 0.23 -0.42 -0.23 0.00 -0.60 0.00 0.00 56.93 55.91 1l2h s PHE 101 Cb -0.15 -1.52 0.02 0.00 0.51 0.00 0.00 43.02 41.88 1l2h s PHE 101 CO 0.09 -0.02 0.80 -0.80 0.70 0.00 0.00 175.22 175.99 1l2h s ASN 102 N -0.60 6.49 -0.25 1.36 0.01 0.17 -0.57 114.94 121.55 1l2h s ASN 102 Ca 0.09 0.15 -0.29 0.00 -0.71 0.00 0.00 52.86 52.10 1l2h s ASN 102 Cb -0.10 -2.40 0.01 0.00 0.41 0.00 0.00 41.25 39.17 1l2h s ASN 102 CO -0.01 -0.84 1.09 -0.75 -1.51 0.00 0.00 177.10 175.08 1l2h s LYS 103 N 3.26 4.19 -0.15 -0.60 2.20 0.27 -1.29 119.74 127.61 1l2h s LYS 103 Ca 0.31 1.31 0.01 0.00 -0.36 0.00 0.00 55.97 57.24 1l2h s LYS 103 Cb -0.12 -3.69 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 1l2h s LYS 103 CO 0.20 -0.74 -0.17 0.42 -0.36 0.00 0.00 175.35 174.70 1l2h s ILE 104 N 3.41 2.49 -0.28 5.43 1.01 -0.16 -1.28 121.20 131.83 1l2h s ILE 104 Ca 0.46 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 60.13 1l2h s ILE 104 Cb -0.15 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 1l2h s ILE 104 CO 0.10 0.53 0.35 -1.61 0.00 0.00 0.00 174.94 174.31 1l2h s GLU 105 N 0.77 3.93 -0.04 2.79 2.02 -1.26 -1.11 118.70 125.79 1l2h s GLU 105 Ca -0.07 -0.08 -0.01 0.00 0.02 0.00 0.00 54.97 54.83 1l2h s GLU 105 Cb -0.16 -3.68 0.03 0.00 0.10 0.00 0.00 34.13 30.42 1l2h s GLU 105 CO 0.00 -0.31 0.04 0.96 0.02 0.00 0.00 175.26 175.97 1l2h s ILE 106 N 2.04 0.04 -1.43 -1.63 -5.25 -0.32 -4.91 121.20 109.74 1l2h s ILE 106 Ca 0.14 0.30 -0.06 0.00 -0.99 0.00 0.00 60.65 60.03 1l2h s ILE 106 Cb -0.16 -0.24 0.04 0.00 2.95 0.00 0.00 42.46 45.05 1l2h s ILE 106 CO 0.10 0.18 0.76 -0.46 -1.79 0.00 0.00 174.94 173.74 1l2h n ASN 107 N 4.99 -2.43 -2.26 4.36 0.23 -1.26 -0.98 115.26 117.91 1l2h n ASN 107 Ca -0.10 -0.85 -0.19 0.00 -0.53 0.00 0.00 54.58 52.91 1l2h n ASN 107 Cb 0.50 -3.76 -0.02 0.00 -2.08 0.00 0.00 39.78 34.42 1l2h n ASN 107 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1l2h n ASN 108 N -2.94 -5.50 -4.40 0.53 3.02 -1.26 -4.96 115.26 99.74 1l2h n ASN 108 Ca -0.16 0.10 -0.21 0.00 -0.03 0.00 0.00 54.58 54.29 1l2h n ASN 108 Cb 0.61 -4.64 -0.10 0.00 -0.61 0.00 0.00 39.78 35.04 1l2h n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1l2h s LYS 109 N -4.79 1.61 -0.04 3.52 -0.14 -0.15 -4.96 119.74 114.78 1l2h s LYS 109 Ca 0.00 -1.89 0.05 0.00 -1.36 0.00 0.00 55.97 52.77 1l2h s LYS 109 Cb 0.00 -0.70 -0.02 0.00 -1.68 0.00 0.00 37.83 35.42 1l2h s LYS 109 CO 0.00 -0.23 -0.19 -0.51 -0.76 0.00 0.00 175.35 173.66 1l2h s LEU 110 N -3.45 2.45 0.13 3.17 1.43 -0.18 -1.18 118.68 121.05 1l2h s LEU 110 Ca 0.36 -0.31 0.11 0.00 -1.03 0.00 0.00 54.13 53.25 1l2h s LEU 110 Cb 0.08 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1l2h s LEU 110 CO 0.15 0.33 -0.25 -1.61 0.23 0.00 0.00 176.35 175.20 1l2h s GLU 111 N -0.64 1.47 -0.31 1.70 2.02 -0.27 -0.34 118.70 122.32 1l2h s GLU 111 Ca 0.10 -1.33 0.02 0.00 0.02 0.00 0.00 54.97 53.78 1l2h s GLU 111 Cb -0.11 -1.93 0.09 0.00 0.10 0.00 0.00 34.13 32.28 1l2h s GLU 111 CO 0.00 0.45 0.04 -0.06 0.02 0.00 0.00 175.26 175.71 1l2h s PHE 112 N -1.10 2.99 -0.04 1.61 0.40 -1.26 -0.99 117.98 119.59 1l2h s PHE 112 Ca 0.15 -2.45 -0.23 0.00 -0.60 0.00 0.00 56.93 53.80 1l2h s PHE 112 Cb -0.10 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 41.03 1l2h s PHE 112 CO 0.07 -0.90 0.67 -2.00 0.70 0.00 0.00 175.22 173.76 1l2h s GLU 113 N 1.18 4.42 0.12 0.44 2.12 -0.41 -0.76 118.70 125.80 1l2h s GLU 113 Ca 0.07 0.85 -0.31 0.00 0.36 0.00 0.00 54.97 55.94 1l2h s GLU 113 Cb -0.19 -3.41 -0.11 0.00 0.26 0.00 0.00 34.13 30.69 1l2h s GLU 113 CO -0.12 0.17 1.85 0.45 -0.54 0.00 0.00 175.26 177.06 1l2h n SER 114 N 3.41 4.05 0.13 -1.70 2.88 0.39 0.46 113.62 123.24 1l2h n SER 114 Ca -0.03 0.98 -0.01 0.00 -1.33 0.00 0.00 58.87 58.48 1l2h n SER 114 Cb 0.51 -1.54 0.20 0.00 -0.75 0.00 0.00 64.21 62.63 1l2h n SER 114 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1l2h h ALA 115 N 8.70 1.04 0.00 -1.46 0.00 -1.43 -3.20 119.26 122.90 1l2h h ALA 115 Ca -0.47 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 53.84 1l2h h ALA 115 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1l2h h ALA 115 CO 0.95 0.69 -0.48 0.37 0.00 0.00 0.00 179.25 180.78 1l2h h GLN 116 N 0.05 0.00 -2.81 0.00 5.75 -1.78 -3.39 115.11 112.94 1l2h h GLN 116 Ca -0.00 0.00 -0.60 0.00 -0.15 0.00 0.00 58.65 57.89 1l2h h GLN 116 Cb 0.99 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.14 1l2h h GLN 116 CO 0.08 0.48 -0.78 -0.06 -2.65 0.00 0.00 178.83 175.89 1l2h s PHE 117 N -3.14 1.73 0.21 3.99 0.40 -1.21 -5.11 117.98 114.85 1l2h s PHE 117 Ca 0.03 -2.33 -0.31 0.00 -0.60 0.00 0.00 56.93 53.72 1l2h s PHE 117 Cb 0.09 -1.60 -0.16 0.00 0.51 0.00 0.00 43.02 41.86 1l2h s PHE 117 CO 0.73 -0.78 0.96 -2.30 0.70 0.00 0.00 175.22 174.53 1l2h n PRO 118 N 3.37 0.89 -1.56 0.24 -0.02 -1.24 -2.19 135.00 134.49 1l2h n PRO 118 Ca 0.14 0.32 -0.19 0.00 -2.02 0.00 0.00 63.50 61.75 1l2h n PRO 118 Cb 0.37 -1.66 -0.08 0.00 -0.02 0.00 0.00 33.50 32.12 1l2h n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1l2h n ASN 119 N 1.71 -4.98 -4.76 2.55 3.02 -1.26 -4.99 115.26 106.55 1l2h n ASN 119 Ca 0.14 0.46 -0.36 0.00 -0.03 0.00 0.00 54.58 54.79 1l2h n ASN 119 Cb 0.26 -4.44 -0.07 0.00 -0.61 0.00 0.00 39.78 34.92 1l2h n ASN 119 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1l2h s PHE 120 N -2.60 3.48 0.07 3.10 0.40 -0.93 -4.97 117.98 116.52 1l2h s PHE 120 Ca 0.00 0.49 0.07 0.00 -0.60 0.00 0.00 56.93 56.89 1l2h s PHE 120 Cb 0.00 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.32 1l2h s PHE 120 CO 0.00 0.38 -0.19 0.71 0.70 0.00 0.00 175.22 176.82 1l2h s TYR 121 N 0.04 1.63 0.15 0.36 1.51 0.25 -0.46 117.35 120.83 1l2h s TYR 121 Ca 0.13 -0.39 -0.32 0.00 -1.01 0.00 0.00 57.07 55.47 1l2h s TYR 121 Cb -0.12 -0.94 -0.12 0.00 -0.11 0.00 0.00 41.96 40.67 1l2h s TYR 121 CO 0.02 0.12 1.76 -0.89 -1.11 0.00 0.00 175.55 175.44 1l2h n ILE 122 N 1.54 0.20 -4.12 2.71 5.41 0.06 -1.21 119.36 123.95 1l2h n ILE 122 Ca -0.19 -0.04 -0.12 0.00 1.00 0.00 0.00 62.75 63.41 1l2h n ILE 122 Cb 0.54 -1.97 -0.11 0.00 -0.71 0.00 0.00 39.64 37.39 1l2h n ILE 122 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1l2h s SER 123 N 1.98 1.04 0.20 4.38 0.01 0.45 -4.54 113.70 117.23 1l2h s SER 123 Ca 0.80 -0.75 0.09 0.00 1.31 0.00 0.00 55.95 57.39 1l2h s SER 123 Cb -0.53 0.05 -0.05 0.00 0.21 0.00 0.00 66.02 65.70 1l2h s SER 123 CO 0.36 -0.31 -0.16 0.42 0.41 0.00 0.00 173.24 173.96 1l2h s THR 124 N -2.35 1.86 0.46 1.44 -4.23 -0.22 -1.11 115.64 111.49 1l2h s THR 124 Ca 0.00 -2.16 -0.04 0.00 -1.18 0.00 0.00 61.69 58.31 1l2h s THR 124 Cb -0.03 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 1l2h s THR 124 CO -0.02 -0.49 0.74 -0.44 -0.54 0.00 0.00 174.62 173.88 1l2h s SER 125 N -3.16 6.27 0.20 3.99 0.01 -1.26 -0.13 113.70 119.62 1l2h s SER 125 Ca 0.22 0.85 -0.03 0.00 1.31 0.00 0.00 55.95 58.29 1l2h s SER 125 Cb -0.03 -2.21 0.16 0.00 0.21 0.00 0.00 66.02 64.15 1l2h s SER 125 CO 0.08 -0.53 1.55 1.56 0.41 0.00 0.00 173.24 176.32 1l2h h GLN 126 N 0.33 0.60 -6.97 12.44 1.08 -1.96 -3.45 115.11 117.19 1l2h h GLN 126 Ca -0.47 -0.33 -0.52 0.00 -1.45 0.00 0.00 58.65 55.88 1l2h h GLN 126 Cb 1.21 0.02 0.08 0.00 -0.05 0.00 0.00 27.48 28.73 1l2h h GLN 126 CO 0.62 0.93 0.56 0.00 -0.95 0.00 0.00 178.83 179.98 1l2h s ALA 127 N -4.19 3.12 0.34 3.87 0.00 -1.26 -4.99 121.76 118.66 1l2h s ALA 127 Ca -0.08 1.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.72 1l2h s ALA 127 Cb 0.12 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 1l2h s ALA 127 CO 0.83 -0.79 1.36 -2.00 0.00 0.00 0.00 175.76 175.17 1l2h s GLU 128 N -2.42 4.29 -1.26 0.00 2.56 -1.26 -4.17 118.70 116.44 1l2h s GLU 128 Ca 0.60 2.31 -0.06 0.00 0.00 0.00 0.00 54.97 57.82 1l2h s GLU 128 Cb -0.35 -3.05 0.01 0.00 2.00 0.00 0.00 34.13 32.74 1l2h s GLU 128 CO 0.43 -0.29 0.78 -1.71 -0.56 0.00 0.00 175.26 173.91 1l2h n ASN 129 N 0.80 -5.66 -4.82 -1.70 5.15 -0.34 -5.01 115.26 103.70 1l2h n ASN 129 Ca 0.01 -0.36 -0.23 0.00 -0.60 0.00 0.00 54.58 53.39 1l2h n ASN 129 Cb 0.41 -4.38 -0.05 0.00 -0.53 0.00 0.00 39.78 35.24 1l2h n ASN 129 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1l2h s MET 130 N -5.84 2.92 0.63 1.20 -1.94 -1.25 -4.82 119.30 110.20 1l2h s MET 130 Ca 0.39 -0.99 -0.18 0.00 -1.71 0.00 0.00 55.69 53.19 1l2h s MET 130 Cb -0.17 -2.60 -0.02 0.00 2.01 0.00 0.00 34.83 34.06 1l2h s MET 130 CO 0.48 0.43 1.28 -2.14 -0.01 0.00 0.00 175.02 175.06 1l2h s PRO 131 N -3.58 2.69 0.20 2.03 0.02 -1.26 -1.48 135.00 133.62 1l2h s PRO 131 Ca 0.32 2.03 -0.30 0.00 0.02 0.00 0.00 61.00 63.07 1l2h s PRO 131 Cb -0.09 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.46 1l2h s PRO 131 CO 0.24 -1.48 1.00 0.08 -0.33 0.00 0.00 177.00 176.52 1l2h s VAL 132 N -1.43 4.06 0.29 3.83 1.01 -0.04 -4.48 120.40 123.64 1l2h s VAL 132 Ca 0.81 1.90 0.02 0.00 0.00 0.00 0.00 61.98 64.70 1l2h s VAL 132 Cb -0.36 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.78 1l2h s VAL 132 CO 0.39 0.38 0.28 0.72 0.00 0.00 0.00 175.10 176.87 1l2h s PHE 133 N -0.64 1.38 -0.26 5.22 -0.12 -0.27 -4.78 117.98 118.52 1l2h s PHE 133 Ca 0.45 -1.46 -0.10 0.00 -0.05 0.00 0.00 56.93 55.76 1l2h s PHE 133 Cb -0.27 -0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 41.56 1l2h s PHE 133 CO 0.33 -0.85 0.16 -0.51 -0.05 0.00 0.00 175.22 174.30 1l2h s LEU 134 N -3.27 4.02 0.00 -1.99 1.43 -1.26 -0.42 118.68 117.20 1l2h s LEU 134 Ca 0.37 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1l2h s LEU 134 Cb 0.03 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1l2h s LEU 134 CO 0.21 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1l2h n GLY 135 N 4.62 2.74 0.00 -3.19 0.00 -0.35 -4.86 105.19 104.16 1l2h n GLY 135 Ca -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1l2h n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l2h n GLY 140 N 5.00 3.89 0.18 -0.02 0.00 -1.26 -0.58 105.19 112.40 1l2h n GLY 140 Ca 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 46.02 44.72 1l2h n GLY 140 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1l2h h GLN 141 N 0.00 0.20 -7.33 1.61 7.50 -2.06 -3.42 115.11 111.61 1l2h h GLN 141 Ca 0.00 -0.01 -0.48 0.00 0.50 0.00 0.00 58.65 58.66 1l2h h GLN 141 Cb 0.00 -0.05 0.15 0.00 0.05 0.00 0.00 27.48 27.64 1l2h h GLN 141 CO 0.00 0.13 0.23 -0.51 -1.50 0.00 0.00 178.83 177.19 1l2h s ASP 142 N -5.30 3.28 -0.15 1.46 1.01 -1.26 -4.62 116.67 111.09 1l2h s ASP 142 Ca -0.13 1.50 -0.02 0.00 0.71 0.00 0.00 52.55 54.60 1l2h s ASP 142 Cb 0.15 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 41.88 1l2h s ASP 142 CO 0.72 -2.76 -0.07 -0.63 0.21 0.00 0.00 175.17 172.64 1l2h s ILE 143 N -2.90 3.57 0.00 0.77 1.01 0.81 -4.95 121.20 119.51 1l2h s ILE 143 Ca 0.64 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1l2h s ILE 143 Cb -0.18 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.74 1l2h s ILE 143 CO 0.57 0.50 0.65 0.35 0.00 0.00 0.00 174.94 177.02 1l2h n THR 144 N 3.59 0.43 -4.70 2.92 -2.24 -1.26 -1.05 114.28 111.96 1l2h n THR 144 Ca -0.18 -0.54 -0.33 0.00 -2.27 0.00 0.00 64.05 60.73 1l2h n THR 144 Cb 0.52 0.91 -0.13 0.00 -2.10 0.00 0.00 70.33 69.53 1l2h n THR 144 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1l2h s ASP 145 N -0.43 4.29 0.16 3.42 1.01 -1.26 -4.37 116.67 119.49 1l2h s ASP 145 Ca 0.00 -0.20 0.05 0.00 0.71 0.00 0.00 52.55 53.11 1l2h s ASP 145 Cb 0.00 -1.41 -0.04 0.00 1.01 0.00 0.00 42.92 42.48 1l2h s ASP 145 CO 0.00 0.24 -0.11 -0.36 0.21 0.00 0.00 175.17 175.15 1l2h s PHE 146 N -0.09 1.34 0.19 4.23 0.40 0.53 -0.75 117.98 123.83 1l2h s PHE 146 Ca -0.01 -0.72 0.10 0.00 -0.60 0.00 0.00 56.93 55.70 1l2h s PHE 146 Cb -0.14 -0.67 -0.04 0.00 0.51 0.00 0.00 43.02 42.68 1l2h s PHE 146 CO 0.03 0.13 -0.14 0.95 0.70 0.00 0.00 175.22 176.90 1l2h s THR 147 N -3.25 2.94 -0.09 0.64 -4.23 0.46 -1.01 115.64 111.10 1l2h s THR 147 Ca 0.18 -1.80 0.01 0.00 -1.18 0.00 0.00 61.69 58.89 1l2h s THR 147 Cb 0.02 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 1l2h s THR 147 CO 0.02 -0.14 -0.10 -0.32 -0.54 0.00 0.00 174.62 173.54 1l2h s MET 148 N -2.85 2.96 -0.14 3.99 1.75 -1.26 -1.00 119.30 122.75 1l2h s MET 148 Ca 0.24 -0.63 0.02 0.00 -1.25 0.00 0.00 55.69 54.08 1l2h s MET 148 Cb -0.08 -2.58 0.01 0.00 2.84 0.00 0.00 34.83 35.02 1l2h s MET 148 CO 0.14 0.48 -0.21 -0.65 -0.65 0.00 0.00 175.02 174.13 1l2h s GLN 149 N -0.33 3.05 0.34 4.11 1.11 -0.19 -4.98 119.66 122.77 1l2h s GLN 149 Ca 0.04 -0.84 -0.25 0.00 0.01 0.00 0.00 55.36 54.31 1l2h s GLN 149 Cb -0.13 -2.46 -0.10 0.00 -1.01 0.00 0.00 33.01 29.32 1l2h s GLN 149 CO 0.02 -0.01 0.95 -0.06 0.01 0.00 0.00 175.29 176.21 1l2h s PHE 150 N 0.80 3.63 0.14 0.91 0.40 -1.26 -0.43 117.98 122.17 1l2h s PHE 150 Ca -0.07 1.76 0.08 0.00 -0.60 0.00 0.00 56.93 58.09 1l2h s PHE 150 Cb -0.16 -2.92 -0.04 0.00 0.51 0.00 0.00 43.02 40.42 1l2h s PHE 150 CO -0.01 0.15 -0.18 0.14 0.70 0.00 0.00 175.22 176.02 1l2h s VAL 151 N -1.70 1.67 -2.00 -0.44 -7.23 -0.96 -4.90 120.40 104.84 1l2h s VAL 151 Ca 0.52 -1.79 0.21 0.00 -1.81 0.00 0.00 61.98 59.11 1l2h s VAL 151 Cb -0.17 -1.70 0.58 0.00 0.56 0.00 0.00 36.38 35.65 1l2h s VAL 151 CO 0.22 -0.29 1.61 -0.24 -0.31 0.00 0.00 175.10 176.09