#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l3n n THR 2 N 0.00 0.00 -4.24 0.00 5.66 -1.26 -4.95 114.28 109.49 1l3n n THR 2 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 1l3n n THR 2 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 1l3n n THR 2 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1l3n s LYS 3 N 0.00 3.63 0.10 1.09 1.02 -1.26 -0.27 119.74 124.06 1l3n s LYS 3 Ca 0.00 -0.42 -0.03 0.00 0.02 0.00 0.00 55.97 55.54 1l3n s LYS 3 Cb 0.00 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.27 1l3n s LYS 3 CO 0.00 0.37 0.07 0.00 -0.92 0.00 0.00 175.35 174.87 1l3n s ALA 4 N 0.06 0.53 0.45 5.17 0.00 -0.66 -0.65 121.76 126.65 1l3n s ALA 4 Ca 0.03 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 50.79 1l3n s ALA 4 Cb -0.13 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 1l3n s ALA 4 CO 0.02 -0.47 0.05 0.14 0.00 0.00 0.00 175.76 175.50 1l3n s VAL 5 N -3.98 1.06 -0.20 0.00 -7.23 -0.12 -0.37 120.40 109.57 1l3n s VAL 5 Ca 0.16 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.27 1l3n s VAL 5 Cb 0.07 -2.38 0.10 0.00 0.56 0.00 0.00 36.38 34.72 1l3n s VAL 5 CO -0.04 0.00 0.37 0.00 -0.31 0.00 0.00 175.10 175.13 1l3n s ALA 6 N -3.02 -1.00 -0.50 1.32 0.00 -0.20 -3.32 121.76 115.04 1l3n s ALA 6 Ca 0.18 1.21 -0.17 0.00 0.00 0.00 0.00 51.96 53.18 1l3n s ALA 6 Cb 0.04 -1.36 0.08 0.00 0.00 0.00 0.00 23.12 21.87 1l3n s ALA 6 CO 0.10 -0.88 0.50 0.14 0.00 0.00 0.00 175.76 175.62 1l3n s VAL 7 N 2.55 5.10 -0.25 0.00 -7.23 -1.25 -1.11 120.40 118.21 1l3n s VAL 7 Ca 0.03 -0.95 -0.12 0.00 -1.81 0.00 0.00 61.98 59.13 1l3n s VAL 7 Cb -0.13 -4.23 -0.05 0.00 0.56 0.00 0.00 36.38 32.54 1l3n s VAL 7 CO -0.13 -0.72 0.24 -0.76 -0.31 0.00 0.00 175.10 173.43 1l3n s LEU 8 N 1.99 4.08 0.05 1.32 1.43 0.58 -4.27 118.68 123.86 1l3n s LEU 8 Ca 0.08 0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 53.29 1l3n s LEU 8 Cb -0.24 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 1l3n s LEU 8 CO 0.08 -0.03 0.09 -0.54 0.23 0.00 0.00 176.35 176.17 1l3n s LYS 9 N 1.47 0.65 0.25 1.70 1.02 -0.15 -0.41 119.74 124.27 1l3n s LYS 9 Ca 0.10 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.18 1l3n s LYS 9 Cb -0.15 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1l3n s LYS 9 CO 0.08 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1l3n n GLY 10 N 0.43 -1.56 0.18 -3.33 0.00 -1.24 -0.68 105.19 98.99 1l3n n GLY 10 Ca -0.17 0.45 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 1l3n n GLY 10 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1l3n h ASP 11 N 0.00 0.61 0.00 1.61 3.58 -1.13 -3.49 116.42 117.61 1l3n h ASP 11 Ca 0.00 -0.53 0.00 0.00 0.42 0.00 0.00 57.03 56.92 1l3n h ASP 11 Cb 0.00 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.88 1l3n h ASP 11 CO 0.00 1.02 0.00 0.61 -2.88 0.00 0.00 179.24 177.99 1l3n n GLY 12 N 0.34 1.50 0.34 -0.78 0.00 -1.26 -4.88 105.19 100.44 1l3n n GLY 12 Ca -0.06 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.82 1l3n n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l3n h PRO 13 N 0.00 0.39 -5.68 1.61 0.13 -1.92 -3.37 132.00 123.16 1l3n h PRO 13 Ca 0.00 -0.02 -0.34 0.00 -0.87 0.00 0.00 66.00 64.77 1l3n h PRO 13 Cb 0.00 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.03 1l3n h PRO 13 CO 0.00 0.26 1.03 0.08 -0.23 0.00 0.00 178.00 179.14 1l3n s VAL 14 N -5.38 3.19 -0.25 1.56 1.01 -1.26 -3.82 120.40 115.46 1l3n s VAL 14 Ca -0.08 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1l3n s VAL 14 Cb 0.19 -3.47 0.05 0.00 0.00 0.00 0.00 36.38 33.15 1l3n s VAL 14 CO 0.74 -0.45 -0.12 -1.10 0.00 0.00 0.00 175.10 174.17 1l3n s GLN 15 N 7.82 2.27 -0.16 2.72 -0.21 0.30 -3.90 119.66 128.49 1l3n s GLN 15 Ca 0.83 -1.25 -0.08 0.00 0.02 0.00 0.00 55.36 54.88 1l3n s GLN 15 Cb -0.13 -2.81 -0.04 0.00 1.00 0.00 0.00 33.01 31.02 1l3n s GLN 15 CO 0.15 -0.53 0.12 0.20 -2.12 0.00 0.00 175.29 173.11 1l3n s GLY 16 N 1.15 2.06 -0.42 3.09 0.00 0.45 -0.97 107.32 112.68 1l3n s GLY 16 Ca -0.07 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 43.99 1l3n s GLY 16 CO -0.06 -0.09 0.28 -0.42 0.00 0.00 0.00 173.10 172.81 1l3n s ILE 17 N -0.19 0.70 0.12 0.90 1.01 -0.37 -0.31 121.20 123.07 1l3n s ILE 17 Ca 0.10 -2.41 0.03 0.00 0.00 0.00 0.00 60.65 58.37 1l3n s ILE 17 Cb -0.12 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 1l3n s ILE 17 CO 0.01 -1.05 0.19 -0.63 0.00 0.00 0.00 174.94 173.45 1l3n s ILE 18 N 0.38 4.97 -0.20 2.92 -1.09 -0.27 -2.94 121.20 124.97 1l3n s ILE 18 Ca 0.23 -0.73 0.01 0.00 -2.23 0.00 0.00 60.65 57.93 1l3n s ILE 18 Cb -0.13 -3.49 0.03 0.00 -1.58 0.00 0.00 42.46 37.29 1l3n s ILE 18 CO -0.07 0.00 -0.16 0.20 -1.23 0.00 0.00 174.94 173.67 1l3n s ASN 19 N -2.86 3.48 -0.64 3.58 0.02 0.46 -1.04 114.94 117.94 1l3n s ASN 19 Ca 0.33 -0.86 -0.20 0.00 -1.02 0.00 0.00 52.86 51.10 1l3n s ASN 19 Cb -0.11 -1.46 0.09 0.00 0.02 0.00 0.00 41.25 39.79 1l3n s ASN 19 CO 0.26 -0.07 0.85 -0.36 0.02 0.00 0.00 177.10 177.80 1l3n s PHE 20 N 1.26 2.86 -0.30 2.20 0.40 0.51 -1.87 117.98 123.03 1l3n s PHE 20 Ca 0.01 -0.81 -0.14 0.00 -0.60 0.00 0.00 56.93 55.38 1l3n s PHE 20 Cb -0.15 -4.16 -0.03 0.00 0.51 0.00 0.00 43.02 39.19 1l3n s PHE 20 CO -0.10 -1.47 0.32 -1.21 0.70 0.00 0.00 175.22 173.47 1l3n s GLU 21 N 3.28 3.79 -0.42 0.44 0.41 -0.13 -1.65 118.70 124.43 1l3n s GLU 21 Ca 0.17 -0.25 0.02 0.00 -0.41 0.00 0.00 54.97 54.50 1l3n s GLU 21 Cb -0.20 -3.72 0.11 0.00 -1.78 0.00 0.00 34.13 28.54 1l3n s GLU 21 CO 0.07 -0.37 0.16 -1.14 -0.49 0.00 0.00 175.26 173.50 1l3n s GLN 22 N 1.97 1.80 0.09 1.61 2.00 0.63 -0.64 119.66 127.12 1l3n s GLN 22 Ca 0.12 -2.06 -0.27 0.00 -2.00 0.00 0.00 55.36 51.15 1l3n s GLN 22 Cb -0.16 -3.37 -0.14 0.00 0.80 0.00 0.00 33.01 30.13 1l3n s GLN 22 CO 0.11 -1.03 1.69 0.87 -0.50 0.00 0.00 175.29 176.43 1l3n h LYS 23 N 7.46 -0.35 -5.05 1.67 1.57 -1.79 -3.42 116.57 116.67 1l3n h LYS 23 Ca -0.07 0.02 -0.45 0.00 -1.87 0.00 0.00 60.65 58.28 1l3n h LYS 23 Cb 1.00 0.08 -0.14 0.00 0.08 0.00 0.00 32.23 33.25 1l3n h LYS 23 CO 0.61 -0.23 -0.58 -1.21 -0.57 0.00 0.00 179.45 177.47 1l3n s GLU 24 N -6.13 1.64 0.53 3.15 8.01 -1.26 -4.97 118.70 119.67 1l3n s GLU 24 Ca -0.15 -1.93 0.32 0.00 0.01 0.00 0.00 54.97 53.21 1l3n s GLU 24 Cb 0.06 -0.56 1.21 0.00 -4.31 0.00 0.00 34.13 30.53 1l3n s GLU 24 CO 0.65 -0.31 1.93 1.03 0.01 0.00 0.00 175.26 178.56 1l3n h SER 25 N 2.12 0.00 0.29 -0.19 0.87 -1.86 -1.59 113.55 113.19 1l3n h SER 25 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1l3n h SER 25 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1l3n h SER 25 CO 0.62 0.02 -0.25 -0.46 -0.53 0.00 0.00 176.83 176.23 1l3n n ASN 26 N -3.11 0.87 -4.89 6.23 0.23 -1.26 -4.93 115.26 108.39 1l3n n ASN 26 Ca 0.01 -0.77 -0.29 0.00 -0.53 0.00 0.00 54.58 53.01 1l3n n ASN 26 Cb 0.34 0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 1l3n n ASN 26 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1l3n s GLY 27 N -2.54 1.56 0.48 4.83 0.00 -0.60 -5.06 107.32 105.99 1l3n s GLY 27 Ca 0.24 -0.37 -0.21 0.00 0.00 0.00 0.00 44.72 44.38 1l3n s GLY 27 CO 0.53 -0.16 1.11 2.56 0.00 0.00 0.00 173.10 177.14 1l3n s PRO 28 N -4.90 3.70 -0.44 2.90 0.04 -1.26 -4.80 135.00 130.23 1l3n s PRO 28 Ca 0.50 1.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 1l3n s PRO 28 Cb -0.11 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.22 1l3n s PRO 28 CO 0.48 -0.56 1.22 0.08 0.04 0.00 0.00 177.00 178.25 1l3n s VAL 29 N -1.72 4.14 -0.57 -0.36 1.01 0.25 -4.47 120.40 118.69 1l3n s VAL 29 Ca 0.66 1.19 -0.21 0.00 0.00 0.00 0.00 61.98 63.62 1l3n s VAL 29 Cb -0.24 -4.45 0.07 0.00 0.00 0.00 0.00 36.38 31.76 1l3n s VAL 29 CO 0.28 -0.87 0.79 -0.54 0.00 0.00 0.00 175.10 174.77 1l3n s LYS 30 N 4.50 3.14 -0.56 2.72 1.02 0.19 -0.81 119.74 129.94 1l3n s LYS 30 Ca 0.52 -0.85 -0.17 0.00 0.02 0.00 0.00 55.97 55.49 1l3n s LYS 30 Cb -0.10 -4.16 0.13 0.00 -0.52 0.00 0.00 37.83 33.18 1l3n s LYS 30 CO 0.30 -1.50 0.55 0.54 -0.92 0.00 0.00 175.35 174.32 1l3n s VAL 31 N 3.27 5.14 0.37 3.17 0.11 0.99 -0.95 120.40 132.50 1l3n s VAL 31 Ca 0.19 -1.43 0.08 0.00 -2.93 0.00 0.00 61.98 57.90 1l3n s VAL 31 Cb -0.18 -4.38 -0.06 0.00 -1.53 0.00 0.00 36.38 30.23 1l3n s VAL 31 CO 0.12 -0.93 -0.00 -1.66 -3.33 0.00 0.00 175.10 169.29 1l3n s TRP 32 N 1.78 2.50 -5.00 1.54 -2.14 -0.78 -1.06 118.94 115.77 1l3n s TRP 32 Ca 0.05 -0.54 0.00 0.00 2.66 0.00 0.00 56.10 58.27 1l3n s TRP 32 Cb -0.28 -1.59 0.00 0.00 -3.10 0.00 0.00 33.47 28.50 1l3n s TRP 32 CO 0.03 0.47 0.00 0.41 -2.66 0.00 0.00 176.95 175.20 1l3n n GLY 33 N -0.94 -0.17 3.38 3.67 0.00 0.48 -0.40 105.19 111.21 1l3n n GLY 33 Ca -0.04 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 1l3n n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1l3n s SER 34 N -4.00 -0.41 -0.02 1.61 0.15 -1.15 -0.74 113.70 109.14 1l3n s SER 34 Ca 0.00 0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.91 1l3n s SER 34 Cb 0.00 0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 64.73 1l3n s SER 34 CO 0.00 -0.64 -0.06 0.27 1.20 0.00 0.00 173.24 174.01 1l3n s ILE 35 N -1.98 3.69 0.11 6.45 -4.36 -0.13 -1.23 121.20 123.74 1l3n s ILE 35 Ca -0.08 -0.67 0.10 0.00 -0.26 0.00 0.00 60.65 59.74 1l3n s ILE 35 Cb -0.01 -2.57 -0.04 0.00 1.25 0.00 0.00 42.46 41.09 1l3n s ILE 35 CO 0.02 0.46 -0.24 -1.59 0.24 0.00 0.00 174.94 173.83 1l3n s LYS 36 N -1.22 1.60 0.00 0.37 -2.85 -0.14 -0.47 119.74 117.02 1l3n s LYS 36 Ca 0.16 -1.25 0.00 0.00 -1.00 0.00 0.00 55.97 53.88 1l3n s LYS 36 Cb -0.11 -1.98 0.00 0.00 -2.06 0.00 0.00 37.83 33.68 1l3n s LYS 36 CO 0.06 0.47 0.00 0.41 0.10 0.00 0.00 175.35 176.39 1l3n n GLY 37 N 1.05 0.53 3.60 0.59 0.00 -0.50 -0.54 105.19 109.91 1l3n n GLY 37 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1l3n n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1l3n s LEU 38 N 0.00 0.78 0.38 0.99 2.01 -0.52 -4.25 118.68 118.07 1l3n s LEU 38 Ca 0.00 0.70 0.08 0.00 0.01 0.00 0.00 54.13 54.92 1l3n s LEU 38 Cb 0.00 -2.49 -0.02 0.00 0.01 0.00 0.00 46.19 43.70 1l3n s LEU 38 CO 0.00 -4.03 0.39 0.28 1.01 0.00 0.00 176.35 174.00 1l3n s THR 39 N -2.99 3.16 1.09 5.49 -1.32 -1.26 -3.85 115.64 115.96 1l3n s THR 39 Ca 0.70 -1.26 -0.14 0.00 -1.21 0.00 0.00 61.69 59.79 1l3n s THR 39 Cb -0.11 -3.11 0.19 0.00 -1.51 0.00 0.00 72.50 67.96 1l3n s THR 39 CO 0.56 -0.08 0.72 1.21 -2.21 0.00 0.00 174.62 174.82 1l3n n GLU 40 N -1.55 -1.63 0.00 7.08 0.00 -1.26 -4.65 120.64 118.63 1l3n n GLU 40 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 57.16 56.74 1l3n n GLU 40 Cb 0.60 -2.05 0.00 0.00 0.00 0.00 0.00 31.44 29.99 1l3n n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1l3n n GLY 41 N 1.19 -2.93 3.78 8.31 0.00 -0.44 -4.79 105.19 110.31 1l3n n GLY 41 Ca 0.05 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.89 1l3n n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1l3n s LEU 42 N 0.00 4.16 -0.03 0.99 1.02 -1.26 -0.55 118.68 123.02 1l3n s LEU 42 Ca 0.00 2.11 -0.07 0.00 0.02 0.00 0.00 54.13 56.19 1l3n s LEU 42 Cb 0.00 -4.14 0.01 0.00 0.02 0.00 0.00 46.19 42.08 1l3n s LEU 42 CO 0.00 -0.52 0.16 -1.00 0.02 0.00 0.00 176.35 175.01 1l3n s HIS 43 N -1.59 -0.07 -0.13 0.29 3.76 0.90 -2.20 115.29 116.26 1l3n s HIS 43 Ca 0.57 0.15 -0.27 0.00 -0.15 0.00 0.00 55.06 55.37 1l3n s HIS 43 Cb -0.24 0.01 -0.12 0.00 1.11 0.00 0.00 32.58 33.33 1l3n s HIS 43 CO 0.30 -0.20 0.80 0.41 -0.85 0.00 0.00 174.74 175.20 1l3n n GLY 44 N 2.15 -0.06 2.88 -2.22 0.00 0.88 -0.66 105.19 108.17 1l3n n GLY 44 Ca -0.18 0.54 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 1l3n n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1l3n s PHE 45 N 0.75 -0.73 0.27 1.61 2.19 0.77 -1.10 117.98 121.75 1l3n s PHE 45 Ca 0.60 0.63 -0.06 0.00 0.33 0.00 0.00 56.93 58.43 1l3n s PHE 45 Cb -0.85 -0.09 -0.01 0.00 -1.31 0.00 0.00 43.02 40.76 1l3n s PHE 45 CO 0.42 -0.74 0.38 -1.01 1.83 0.00 0.00 175.22 176.11 1l3n s HIS 46 N 2.50 0.83 -0.18 10.12 0.09 -0.44 -0.85 115.29 127.36 1l3n s HIS 46 Ca 0.11 -1.10 -0.12 0.00 -0.00 0.00 0.00 55.06 53.95 1l3n s HIS 46 Cb -0.15 -0.12 -0.05 0.00 -0.00 0.00 0.00 32.58 32.26 1l3n s HIS 46 CO -0.17 -0.95 0.21 0.08 -0.00 0.00 0.00 174.74 173.91 1l3n s VAL 47 N -3.73 5.36 -0.09 -0.90 1.01 0.68 -0.69 120.40 122.04 1l3n s VAL 47 Ca 0.30 0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.61 1l3n s VAL 47 Cb 0.01 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1l3n s VAL 47 CO 0.14 0.41 0.02 -1.00 0.00 0.00 0.00 175.10 174.68 1l3n s HIS 48 N 0.44 3.23 0.08 5.22 3.76 0.52 -4.73 115.29 123.81 1l3n s HIS 48 Ca 0.12 0.24 -0.34 0.00 -0.15 0.00 0.00 55.06 54.93 1l3n s HIS 48 Cb -0.12 -1.82 -0.18 0.00 1.11 0.00 0.00 32.58 31.58 1l3n s HIS 48 CO 0.01 0.50 1.60 1.49 -0.85 0.00 0.00 174.74 177.49 1l3n h GLU 49 N 5.17 -0.96 -6.17 1.40 4.57 -1.76 -3.16 114.58 113.68 1l3n h GLU 49 Ca -0.51 0.07 -0.57 0.00 -1.18 0.00 0.00 59.36 57.16 1l3n h GLU 49 Cb 1.20 0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 29.96 1l3n h GLU 49 CO 0.55 -0.64 0.88 -0.06 -1.18 0.00 0.00 179.01 178.56 1l3n s PHE 50 N -5.99 2.97 0.00 0.92 0.40 -0.31 -4.64 117.98 111.32 1l3n s PHE 50 Ca -0.18 1.12 -0.04 0.00 -0.60 0.00 0.00 56.93 57.23 1l3n s PHE 50 Cb 0.04 -3.51 -0.17 0.00 0.51 0.00 0.00 43.02 39.89 1l3n s PHE 50 CO 0.62 -1.33 2.94 0.41 0.70 0.00 0.00 175.22 178.55 1l3n n GLY 51 N 3.65 2.71 3.37 4.36 0.00 -1.25 -4.00 105.19 114.02 1l3n n GLY 51 Ca 0.13 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 1l3n n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1l3n s ASP 52 N 2.04 4.82 0.00 1.61 2.15 -1.26 -4.77 116.67 121.26 1l3n s ASP 52 Ca 0.43 -0.40 0.02 0.00 0.43 0.00 0.00 52.55 53.03 1l3n s ASP 52 Cb 0.20 -1.84 0.05 0.00 -0.30 0.00 0.00 42.92 41.03 1l3n s ASP 52 CO 0.00 -0.07 0.85 0.59 -0.17 0.00 0.00 175.17 176.38 1l3n n ASN 53 N 4.86 1.78 -0.23 -0.34 4.13 -1.26 -1.99 115.26 122.21 1l3n n ASN 53 Ca -0.16 -1.62 0.06 0.00 1.68 0.00 0.00 54.58 54.54 1l3n n ASN 53 Cb 0.50 -0.03 0.32 0.00 -1.54 0.00 0.00 39.78 39.03 1l3n n ASN 53 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1l3n h THR 54 N 0.47 1.01 0.00 3.41 2.02 -2.00 0.33 112.91 118.15 1l3n h THR 54 Ca 0.00 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 1l3n h THR 54 Cb 0.36 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1l3n h THR 54 CO 0.00 0.15 -0.18 0.00 0.37 0.00 0.00 175.52 175.87 1l3n h ALA 55 N 1.58 0.89 0.00 6.16 0.00 -2.01 -3.49 119.26 122.39 1l3n h ALA 55 Ca 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1l3n h ALA 55 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1l3n h ALA 55 CO -0.13 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1l3n n GLY 56 N 1.06 0.67 2.25 0.00 0.00 0.12 -4.88 105.19 104.40 1l3n n GLY 56 Ca 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1l3n n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l3n n THR 58 N -0.66 1.15 -0.09 0.00 -1.04 -1.26 -4.42 114.28 107.96 1l3n n THR 58 Ca -0.12 -0.30 0.26 0.00 -2.04 0.00 0.00 64.05 61.85 1l3n n THR 58 Cb 0.69 -1.75 0.71 0.00 -1.82 0.00 0.00 70.33 68.16 1l3n n THR 58 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1l3n h SER 59 N -0.70 0.00 -1.54 8.00 0.02 -1.95 -0.92 113.55 116.46 1l3n h SER 59 Ca -0.53 0.00 0.47 0.00 -0.84 0.00 0.00 61.79 60.89 1l3n h SER 59 Cb 1.48 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.94 1l3n h SER 59 CO -0.31 0.00 1.07 0.00 -1.14 0.00 0.00 176.83 176.46 1l3n n ALA 60 N -2.51 1.49 -0.03 3.77 0.00 -0.84 -4.76 120.51 117.63 1l3n n ALA 60 Ca 0.15 0.63 0.00 0.00 0.00 0.00 0.00 53.44 54.22 1l3n n ALA 60 Cb 0.92 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.41 1l3n n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l3n n GLY 61 N -1.68 0.67 2.81 0.00 0.00 -0.35 -1.16 105.19 105.48 1l3n n GLY 61 Ca 0.37 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 1l3n n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1l3n n PRO 62 N 2.39 2.02 -3.02 1.61 -0.04 -1.26 -4.29 135.00 132.39 1l3n n PRO 62 Ca 0.00 -1.79 -0.12 0.00 -0.04 0.00 0.00 63.50 61.55 1l3n n PRO 62 Cb 0.00 -2.76 0.05 0.00 -0.04 0.00 0.00 33.50 30.75 1l3n n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1l3n n HIS 63 N 5.76 -1.50 -0.78 0.54 8.25 -1.26 -4.61 115.22 121.62 1l3n n HIS 63 Ca 0.50 0.56 -0.21 0.00 -0.26 0.00 0.00 57.72 58.30 1l3n n HIS 63 Cb 0.28 -3.39 -0.04 0.00 1.12 0.00 0.00 29.99 27.97 1l3n n HIS 63 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1l3n n PHE 64 N -3.58 1.21 -1.21 4.41 3.72 -1.26 -4.85 117.46 115.90 1l3n n PHE 64 Ca -0.04 -1.88 -0.31 0.00 -0.05 0.00 0.00 57.45 55.16 1l3n n PHE 64 Cb 0.55 -1.66 0.10 0.00 -0.94 0.00 0.00 39.48 37.53 1l3n n PHE 64 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1l3n s ASN 65 N 3.06 4.30 0.11 4.37 4.22 -1.26 -4.81 114.94 124.93 1l3n s ASN 65 Ca 0.43 1.90 -0.19 0.00 -2.14 0.00 0.00 52.86 52.86 1l3n s ASN 65 Cb 0.13 -2.53 -0.07 0.00 1.28 0.00 0.00 41.25 40.06 1l3n s ASN 65 CO -0.03 -2.17 1.72 1.55 -2.04 0.00 0.00 177.10 176.13 1l3n h PRO 66 N -1.15 0.30 -3.00 3.55 0.13 -1.92 -3.07 132.00 126.84 1l3n h PRO 66 Ca -0.44 -0.03 -0.56 0.00 -0.87 0.00 0.00 66.00 64.10 1l3n h PRO 66 Cb 1.24 -0.06 0.02 0.00 0.13 0.00 0.00 31.00 32.33 1l3n h PRO 66 CO 0.50 0.26 3.22 1.28 -0.23 0.00 0.00 178.00 183.04 1l3n n LEU 67 N -4.89 7.65 -4.55 1.56 4.77 -1.26 -4.89 117.00 115.38 1l3n n LEU 67 Ca -0.03 -3.94 -0.26 0.00 -0.03 0.00 0.00 56.01 51.74 1l3n n LEU 67 Cb 0.06 -1.44 -0.05 0.00 -2.33 0.00 0.00 43.42 39.66 1l3n n LEU 67 CO 0.34 1.74 1.70 -0.24 -1.33 0.00 0.00 177.39 179.60 1l3n n SER 68 N 3.60 1.97 0.00 -1.43 2.88 -1.16 -4.74 113.62 114.74 1l3n n SER 68 Ca 0.68 -0.91 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 1l3n n SER 68 Cb 0.27 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.15 1l3n n SER 68 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1l3n n ARG 69 N 8.84 0.00 -3.73 -1.46 3.00 -1.26 -5.12 116.66 116.93 1l3n n ARG 69 Ca 0.43 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 58.14 1l3n n ARG 69 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.84 1l3n n ARG 69 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1l3n s LYS 70 N 0.66 0.49 -0.27 5.56 1.02 -1.23 -5.04 119.74 120.92 1l3n s LYS 70 Ca 0.00 0.59 -0.43 0.00 0.02 0.00 0.00 55.97 56.14 1l3n s LYS 70 Cb 0.00 0.24 -0.20 0.00 -0.52 0.00 0.00 37.83 37.35 1l3n s LYS 70 CO 0.00 -0.06 1.40 1.58 -0.92 0.00 0.00 175.35 177.35 1l3n n HIS 71 N 2.86 1.36 0.00 3.18 -0.00 -0.07 -3.83 115.22 118.72 1l3n n HIS 71 Ca -0.13 1.05 0.00 0.00 -0.00 0.00 0.00 57.72 58.64 1l3n n HIS 71 Cb 0.57 -2.20 0.00 0.00 -0.00 0.00 0.00 29.99 28.36 1l3n n HIS 71 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1l3n n GLY 72 N 3.02 5.49 0.00 1.57 0.00 -1.26 -2.53 105.19 111.48 1l3n n GLY 72 Ca 0.26 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1l3n n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l3n n GLY 73 N 0.46 0.76 0.00 -0.02 0.00 -1.26 -4.68 105.19 100.45 1l3n n GLY 73 Ca 0.00 -0.74 0.02 0.00 0.00 0.00 0.00 46.02 45.30 1l3n n GLY 73 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1l3n n PRO 74 N 0.00 0.12 0.04 1.61 -0.04 -1.24 -0.62 135.00 134.87 1l3n n PRO 74 Ca 0.00 0.03 0.02 0.00 -0.04 0.00 0.00 63.50 63.51 1l3n n PRO 74 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 1l3n n PRO 74 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1l3n n LYS 75 N -1.04 0.62 -4.10 0.54 4.76 -1.26 -4.98 118.16 112.72 1l3n n LYS 75 Ca 0.03 0.17 -0.26 0.00 -2.87 0.00 0.00 58.31 55.38 1l3n n LYS 75 Cb 0.02 -1.78 -0.04 0.00 -1.84 0.00 0.00 35.03 31.38 1l3n n LYS 75 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1l3n s ASP 76 N -5.63 4.50 -0.02 4.39 -1.08 0.21 -5.04 116.67 114.00 1l3n s ASP 76 Ca -0.03 -1.22 0.07 0.00 -0.52 0.00 0.00 52.55 50.85 1l3n s ASP 76 Cb 0.09 0.04 -0.24 0.00 -1.46 0.00 0.00 42.92 41.35 1l3n s ASP 76 CO 0.81 -0.83 0.74 -0.08 0.52 0.00 0.00 175.17 176.34 1l3n h GLU 77 N 1.11 0.07 -0.02 4.34 4.81 -1.94 -3.41 114.58 119.55 1l3n h GLU 77 Ca -0.40 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1l3n h GLU 77 Cb 1.28 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1l3n h GLU 77 CO 0.65 0.75 0.00 0.39 -0.73 0.00 0.00 179.01 180.07 1l3n n GLU 78 N -3.21 1.16 -1.45 1.92 1.02 -1.26 -4.94 120.64 113.88 1l3n n GLU 78 Ca -0.16 -0.23 -0.50 0.00 -0.02 0.00 0.00 57.16 56.24 1l3n n GLU 78 Cb 1.03 -1.41 -0.04 0.00 -0.02 0.00 0.00 31.44 31.00 1l3n n GLU 78 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1l3n n ARG 79 N -0.64 0.21 0.00 3.49 1.85 -1.25 -3.54 116.66 116.78 1l3n n ARG 79 Ca 0.19 0.07 0.00 0.00 -1.00 0.00 0.00 57.85 57.11 1l3n n ARG 79 Cb 0.15 -1.26 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 1l3n n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1l3n n HIS 80 N 0.47 0.00 -2.72 2.89 8.25 -1.26 -4.86 115.22 117.99 1l3n n HIS 80 Ca 0.17 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.55 1l3n n HIS 80 Cb 0.22 -0.12 0.10 0.00 1.12 0.00 0.00 29.99 31.31 1l3n n HIS 80 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1l3n n VAL 81 N -0.85 0.00 0.00 1.59 3.14 -1.26 -4.83 118.33 116.12 1l3n n VAL 81 Ca 0.00 -1.43 0.00 0.00 -2.96 0.00 0.00 64.34 59.95 1l3n n VAL 81 Cb 0.00 1.37 0.00 0.00 -1.06 0.00 0.00 33.84 34.15 1l3n n VAL 81 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1l3n n GLY 82 N 0.18 0.68 3.48 7.55 0.00 -1.26 -4.68 105.19 111.13 1l3n n GLY 82 Ca 0.03 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1l3n n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1l3n s ASP 83 N -0.69 6.55 0.29 1.61 1.01 -1.26 -0.23 116.67 123.95 1l3n s ASP 83 Ca 0.00 -1.80 0.08 0.00 0.71 0.00 0.00 52.55 51.54 1l3n s ASP 83 Cb 0.00 -2.44 0.42 0.00 1.01 0.00 0.00 42.92 41.90 1l3n s ASP 83 CO 0.00 -1.21 1.66 -0.07 0.21 0.00 0.00 175.17 175.76 1l3n h LEU 84 N 11.08 0.16 0.00 1.23 3.38 -1.73 -3.29 115.31 126.15 1l3n h LEU 84 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1l3n h LEU 84 Cb 1.03 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1l3n h LEU 84 CO 1.19 0.64 0.00 0.61 0.09 0.00 0.00 178.44 180.97 1l3n n GLY 85 N -0.01 0.94 3.37 0.83 0.00 -0.03 -4.56 105.19 105.73 1l3n n GLY 85 Ca -0.02 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 1l3n n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1l3n s ASN 86 N -4.00 4.72 -0.13 1.61 0.02 -1.26 -0.16 114.94 115.74 1l3n s ASN 86 Ca 0.00 -0.35 -0.05 0.00 -1.02 0.00 0.00 52.86 51.44 1l3n s ASN 86 Cb 0.00 -1.83 -0.04 0.00 0.02 0.00 0.00 41.25 39.41 1l3n s ASN 86 CO 0.00 -0.04 0.04 0.68 0.02 0.00 0.00 177.10 177.80 1l3n s VAL 87 N 1.54 4.63 -0.43 1.60 -7.23 0.17 -4.81 120.40 115.86 1l3n s VAL 87 Ca 0.06 -0.11 -0.15 0.00 -1.81 0.00 0.00 61.98 59.96 1l3n s VAL 87 Cb -0.15 -3.02 0.03 0.00 0.56 0.00 0.00 36.38 33.81 1l3n s VAL 87 CO 0.00 0.54 0.34 -0.89 -0.31 0.00 0.00 175.10 174.79 1l3n s THR 88 N -0.33 5.23 -0.08 5.32 2.01 -1.26 -0.07 115.64 126.46 1l3n s THR 88 Ca 0.08 -0.73 -0.22 0.00 0.31 0.00 0.00 61.69 61.14 1l3n s THR 88 Cb -0.12 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1l3n s THR 88 CO 0.02 -0.39 0.62 0.00 -0.69 0.00 0.00 174.62 174.18 1l3n s ALA 89 N 1.72 3.39 1.10 7.40 0.00 0.29 -3.90 121.76 131.77 1l3n s ALA 89 Ca 0.06 0.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 1l3n s ALA 89 Cb -0.20 -2.84 0.25 0.00 0.00 0.00 0.00 23.12 20.32 1l3n s ALA 89 CO 0.10 -0.05 1.06 0.34 0.00 0.00 0.00 175.76 177.20 1l3n s ASP 90 N 0.69 1.64 0.57 0.00 2.15 0.33 -1.33 116.67 120.72 1l3n s ASP 90 Ca 0.33 1.23 0.29 0.00 0.43 0.00 0.00 52.55 54.83 1l3n s ASP 90 Cb -0.17 -1.92 1.48 0.00 -0.30 0.00 0.00 42.92 42.02 1l3n s ASP 90 CO 0.15 -3.75 1.93 0.07 -0.17 0.00 0.00 175.17 173.41 1l3n h LYS 91 N -2.32 0.00 0.00 4.34 -0.00 -1.94 0.95 116.57 117.60 1l3n h LYS 91 Ca -0.57 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.08 1l3n h LYS 91 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.56 1l3n h LYS 91 CO 0.53 0.00 0.00 0.22 -0.00 0.00 0.00 179.45 180.20 1l3n h ASP 92 N 0.00 0.00 0.00 7.07 3.58 -1.91 -3.44 116.42 121.72 1l3n h ASP 92 Ca 0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1l3n h ASP 92 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1l3n h ASP 92 CO -0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1l3n n GLY 93 N 1.16 0.67 3.57 -0.78 0.00 0.33 -4.54 105.19 105.59 1l3n n GLY 93 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1l3n n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l3n s VAL 94 N -2.02 4.70 -0.21 1.61 1.01 -1.26 -1.41 120.40 122.82 1l3n s VAL 94 Ca 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 61.98 62.69 1l3n s VAL 94 Cb 0.00 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1l3n s VAL 94 CO 0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 175.10 174.52 1l3n s ALA 95 N 3.18 2.81 0.03 5.51 0.00 0.38 -0.52 121.76 133.16 1l3n s ALA 95 Ca 0.31 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 1l3n s ALA 95 Cb -0.13 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1l3n s ALA 95 CO 0.19 -0.34 1.05 0.34 0.00 0.00 0.00 175.76 177.00 1l3n s ASP 96 N 1.32 7.29 -0.18 0.00 -1.08 -1.25 -0.96 116.67 121.82 1l3n s ASP 96 Ca 0.04 1.79 -0.07 0.00 -0.52 0.00 0.00 52.55 53.79 1l3n s ASP 96 Cb -0.14 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.70 1l3n s ASP 96 CO -0.02 -0.30 0.04 -0.69 0.52 0.00 0.00 175.17 174.72 1l3n s VAL 97 N 0.90 4.58 -0.47 1.11 1.01 0.08 -4.45 120.40 123.16 1l3n s VAL 97 Ca 0.53 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.47 1l3n s VAL 97 Cb -0.24 -3.06 0.27 0.00 0.00 0.00 0.00 36.38 33.35 1l3n s VAL 97 CO 0.29 0.46 0.90 -1.54 0.00 0.00 0.00 175.10 175.21 1l3n n SER 98 N 3.61 -2.26 -4.68 3.32 3.41 -1.25 -0.39 113.62 115.38 1l3n n SER 98 Ca -0.17 -3.33 -0.26 0.00 -0.26 0.00 0.00 58.87 54.85 1l3n n SER 98 Cb 0.52 1.49 -0.07 0.00 -0.26 0.00 0.00 64.21 65.88 1l3n n SER 98 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1l3n s ILE 99 N 0.24 3.80 -0.01 -1.33 1.09 -0.23 -4.95 121.20 119.82 1l3n s ILE 99 Ca 0.30 -1.41 0.01 0.00 -1.10 0.00 0.00 60.65 58.44 1l3n s ILE 99 Cb 0.24 -2.92 0.00 0.00 -1.06 0.00 0.00 42.46 38.73 1l3n s ILE 99 CO -0.18 -0.13 -0.02 -1.83 -0.10 0.00 0.00 174.94 172.69 1l3n s GLU 100 N -3.01 0.18 -0.07 2.79 -1.05 -1.26 -0.01 118.70 116.27 1l3n s GLU 100 Ca 0.28 -0.05 0.03 0.00 -0.15 0.00 0.00 54.97 55.08 1l3n s GLU 100 Cb -0.09 -0.21 0.01 0.00 -0.44 0.00 0.00 34.13 33.40 1l3n s GLU 100 CO 0.19 0.01 -0.15 -0.51 0.95 0.00 0.00 175.26 175.76 1l3n s ASP 101 N 0.13 2.03 -0.57 0.83 1.01 0.01 -4.97 116.67 115.14 1l3n s ASP 101 Ca -0.01 -0.35 -0.02 0.00 0.71 0.00 0.00 52.55 52.89 1l3n s ASP 101 Cb -0.03 -0.86 0.32 0.00 1.01 0.00 0.00 42.92 43.36 1l3n s ASP 101 CO -0.00 0.08 2.12 -1.54 0.21 0.00 0.00 175.17 176.03 1l3n n SER 102 N 3.63 7.20 0.00 0.27 3.41 -1.26 -0.58 113.62 126.28 1l3n n SER 102 Ca -0.21 -3.53 0.00 0.00 -0.26 0.00 0.00 58.87 54.87 1l3n n SER 102 Cb 0.52 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1l3n n SER 102 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1l3n n VAL 103 N -0.29 0.00 -1.71 -3.33 3.14 -1.26 -5.01 118.33 109.87 1l3n n VAL 103 Ca 0.51 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.46 1l3n n VAL 103 Cb 0.56 -0.12 -0.02 0.00 -1.06 0.00 0.00 33.84 33.20 1l3n n VAL 103 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1l3n n ILE 104 N -2.49 0.91 -3.11 1.55 2.08 -1.26 -4.97 119.36 112.07 1l3n n ILE 104 Ca 0.00 -0.23 0.03 0.00 0.56 0.00 0.00 62.75 63.11 1l3n n ILE 104 Cb 0.00 -1.76 -0.00 0.00 -0.75 0.00 0.00 39.64 37.13 1l3n n ILE 104 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1l3n s SER 105 N 0.46 -1.21 0.00 4.38 0.01 -1.26 -3.78 113.70 112.30 1l3n s SER 105 Ca 0.67 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1l3n s SER 105 Cb -0.56 1.63 0.00 0.00 0.21 0.00 0.00 66.02 67.30 1l3n s SER 105 CO 0.48 -0.17 0.38 0.00 0.41 0.00 0.00 173.24 174.33 1l3n n LEU 106 N 4.68 1.07 -3.35 2.44 -0.00 -1.26 -4.03 117.00 116.55 1l3n n LEU 106 Ca 0.08 -0.54 -0.01 0.00 -0.00 0.00 0.00 56.01 55.55 1l3n n LEU 106 Cb 0.57 -0.22 -0.04 0.00 -0.00 0.00 0.00 43.42 43.74 1l3n n LEU 106 CO -0.05 0.19 0.14 -0.94 -0.00 0.00 0.00 177.39 176.72 1l3n s SER 107 N 0.60 -0.95 0.00 1.45 1.04 -1.26 -4.57 113.70 110.01 1l3n s SER 107 Ca 0.00 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.38 1l3n s SER 107 Cb 0.00 1.95 0.00 0.00 0.10 0.00 0.00 66.02 68.07 1l3n s SER 107 CO 0.00 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1l3n n GLY 108 N 5.42 0.54 1.43 7.32 0.00 -1.26 -4.75 105.19 113.88 1l3n n GLY 108 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1l3n n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1l3n n ASP 109 N 0.00 -0.04 0.02 1.61 -0.08 -1.26 -4.96 116.55 111.83 1l3n n ASP 109 Ca 0.00 0.01 -0.16 0.00 -1.51 0.00 0.00 54.79 53.13 1l3n n ASP 109 Cb 0.00 0.39 -0.06 0.00 2.34 0.00 0.00 41.12 43.80 1l3n n ASP 109 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1l3n h HIS 110 N 0.00 0.92 -6.90 -0.67 -0.00 -1.90 -3.47 115.15 103.13 1l3n h HIS 110 Ca 0.00 -0.44 -0.58 0.00 -0.00 0.00 0.00 60.37 59.35 1l3n h HIS 110 Cb 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 1l3n h HIS 110 CO 0.00 1.26 -1.03 0.45 -0.00 0.00 0.00 177.93 178.61 1l3n n SER 111 N -3.87 -4.31 -1.97 2.45 2.88 -1.26 -4.74 113.62 102.80 1l3n n SER 111 Ca -0.08 -1.23 -0.06 0.00 -1.33 0.00 0.00 58.87 56.17 1l3n n SER 111 Cb 0.79 -1.68 -0.08 0.00 -0.75 0.00 0.00 64.21 62.48 1l3n n SER 111 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1l3n n ILE 112 N -4.53 1.96 0.08 2.46 -5.35 -1.26 -4.22 119.36 108.50 1l3n n ILE 112 Ca -0.16 -0.86 -0.04 0.00 -0.27 0.00 0.00 62.75 61.43 1l3n n ILE 112 Cb 0.59 -1.70 -0.02 0.00 -1.74 0.00 0.00 39.64 36.77 1l3n n ILE 112 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 1l3n h ILE 113 N 1.95 0.00 0.00 7.28 1.08 -1.86 -3.38 117.51 122.57 1l3n h ILE 113 Ca 0.09 -0.30 -0.13 0.00 -0.39 0.00 0.00 64.86 64.13 1l3n h ILE 113 Cb 0.99 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.69 1l3n h ILE 113 CO 0.20 0.00 -0.25 0.61 -0.69 0.00 0.00 178.15 178.02 1l3n n GLY 114 N 0.68 2.75 3.97 5.37 0.00 -1.26 -3.83 105.19 112.88 1l3n n GLY 114 Ca -0.03 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 1l3n n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1l3n s ARG 115 N 0.88 1.85 -0.28 1.61 1.81 -1.26 -3.97 118.95 119.58 1l3n s ARG 115 Ca 0.47 -0.80 -0.06 0.00 -1.72 0.00 0.00 55.73 53.62 1l3n s ARG 115 Cb 0.23 -2.28 0.01 0.00 -0.45 0.00 0.00 34.95 32.46 1l3n s ARG 115 CO 0.00 -1.36 0.05 0.99 -0.68 0.00 0.00 175.30 174.30 1l3n s THR 116 N -3.16 3.72 0.13 0.02 2.01 -1.19 -4.14 115.64 113.02 1l3n s THR 116 Ca 0.64 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 1l3n s THR 116 Cb -0.07 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 1l3n s THR 116 CO 0.44 0.12 0.31 -0.76 -0.69 0.00 0.00 174.62 174.04 1l3n s LEU 117 N 1.46 4.30 -0.05 4.42 1.02 0.58 -0.36 118.68 130.05 1l3n s LEU 117 Ca 0.02 0.38 -0.04 0.00 0.02 0.00 0.00 54.13 54.52 1l3n s LEU 117 Cb -0.17 -3.11 0.02 0.00 0.02 0.00 0.00 46.19 42.95 1l3n s LEU 117 CO 0.01 0.07 0.12 -0.69 0.02 0.00 0.00 176.35 175.88 1l3n s VAL 118 N -1.67 -0.02 -0.08 -1.59 1.01 0.13 -0.76 120.40 117.42 1l3n s VAL 118 Ca 0.37 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 1l3n s VAL 118 Cb -0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1l3n s VAL 118 CO 0.27 0.02 0.02 0.68 0.00 0.00 0.00 175.10 176.10 1l3n s VAL 119 N 0.40 4.49 0.26 2.92 -7.23 0.26 -1.33 120.40 120.18 1l3n s VAL 119 Ca -0.03 -0.20 0.11 0.00 -1.81 0.00 0.00 61.98 60.06 1l3n s VAL 119 Cb -0.04 -2.91 -0.05 0.00 0.56 0.00 0.00 36.38 33.94 1l3n s VAL 119 CO -0.02 0.59 -0.20 -1.00 -0.31 0.00 0.00 175.10 174.16 1l3n s HIS 120 N -0.92 2.23 0.17 2.82 3.76 -0.26 -1.97 115.29 121.13 1l3n s HIS 120 Ca 0.14 -0.36 -0.27 0.00 -0.15 0.00 0.00 55.06 54.42 1l3n s HIS 120 Cb -0.11 -0.99 0.00 0.00 1.11 0.00 0.00 32.58 32.59 1l3n s HIS 120 CO 0.03 0.65 1.50 -1.91 -0.85 0.00 0.00 174.74 174.17 1l3n n GLU 121 N -0.46 -0.38 -4.53 1.40 2.13 0.62 -3.26 120.64 116.16 1l3n n GLU 121 Ca -0.06 1.48 -0.25 0.00 0.66 0.00 0.00 57.16 58.98 1l3n n GLU 121 Cb 0.59 -2.18 -0.11 0.00 0.27 0.00 0.00 31.44 30.02 1l3n n GLU 121 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1l3n s LYS 122 N -5.59 1.78 0.28 5.31 1.02 0.73 -4.83 119.74 118.44 1l3n s LYS 122 Ca -0.12 -1.98 -0.29 0.00 0.02 0.00 0.00 55.97 53.60 1l3n s LYS 122 Cb 0.13 -1.36 -0.10 0.00 -0.52 0.00 0.00 37.83 35.98 1l3n s LYS 122 CO 0.63 -0.04 1.32 0.00 -0.92 0.00 0.00 175.35 176.33 1l3n s ALA 123 N -2.91 3.52 0.34 5.17 0.00 -0.94 -0.08 121.76 126.87 1l3n s ALA 123 Ca 0.34 1.21 -0.26 0.00 0.00 0.00 0.00 51.96 53.25 1l3n s ALA 123 Cb 0.07 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 1l3n s ALA 123 CO 0.16 -0.60 1.00 0.16 0.00 0.00 0.00 175.76 176.47 1l3n s ASP 124 N -0.15 7.17 0.00 0.00 -4.77 -1.26 -4.18 116.67 113.48 1l3n s ASP 124 Ca 0.52 1.96 0.00 0.00 -3.30 0.00 0.00 52.55 51.73 1l3n s ASP 124 Cb -0.39 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 38.85 1l3n s ASP 124 CO 0.47 -0.20 0.68 0.47 0.70 0.00 0.00 175.17 177.29 1l3n n ASP 125 N 0.49 1.82 -3.31 2.11 8.00 0.38 -4.80 116.55 121.23 1l3n n ASP 125 Ca 0.02 -1.81 -0.19 0.00 0.71 0.00 0.00 54.79 53.52 1l3n n ASP 125 Cb 0.49 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 1l3n n ASP 125 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1l3n n LEU 126 N 0.30 -0.48 0.00 0.64 4.77 -1.26 -0.37 117.00 120.59 1l3n n LEU 126 Ca 0.00 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1l3n n LEU 126 Cb 0.34 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1l3n n LEU 126 CO 0.00 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1l3n n GLY 127 N -1.40 3.14 2.17 -0.72 0.00 -1.05 -4.19 105.19 103.13 1l3n n GLY 127 Ca -0.07 -0.93 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 1l3n n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1l3n n LYS 128 N 0.00 2.24 0.03 1.61 5.02 0.50 -3.98 118.16 123.57 1l3n n LYS 128 Ca 0.00 -1.49 -0.17 0.00 -2.02 0.00 0.00 58.31 54.63 1l3n n LYS 128 Cb 0.00 -2.09 -0.14 0.00 -0.02 0.00 0.00 35.03 32.78 1l3n n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1l3n h GLY 129 N 4.78 0.23 -3.11 0.72 0.00 -1.85 -3.47 103.07 100.37 1l3n h GLY 129 Ca 0.29 -0.59 -0.20 0.00 0.00 0.00 0.00 47.33 46.83 1l3n h GLY 129 CO 0.51 0.52 -0.32 0.61 0.00 0.00 0.00 176.54 177.86 1l3n n GLY 130 N 1.75 0.19 3.31 4.60 0.00 -1.26 -4.95 105.19 108.84 1l3n n GLY 130 Ca -0.21 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 1l3n n GLY 130 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1l3n s ASN 131 N -3.08 1.90 0.31 1.61 0.01 -1.26 -4.97 114.94 109.46 1l3n s ASN 131 Ca 0.25 -1.15 0.05 0.00 -0.71 0.00 0.00 52.86 51.30 1l3n s ASN 131 Cb -0.11 -0.01 0.68 0.00 0.41 0.00 0.00 41.25 42.22 1l3n s ASN 131 CO 0.31 -0.44 1.82 -0.08 -1.51 0.00 0.00 177.10 177.20 1l3n h GLU 132 N 2.55 0.83 -0.29 -0.60 4.22 -2.00 0.10 114.58 119.39 1l3n h GLU 132 Ca -0.38 -0.05 -0.10 0.00 0.08 0.00 0.00 59.36 58.92 1l3n h GLU 132 Cb 1.21 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1l3n h GLU 132 CO 0.64 0.55 -0.22 1.49 -2.18 0.00 0.00 179.01 179.28 1l3n h GLU 133 N 0.85 0.54 -0.62 1.92 4.57 -2.00 -3.23 114.58 116.61 1l3n h GLU 133 Ca 0.52 -0.20 0.10 0.00 -1.18 0.00 0.00 59.36 58.60 1l3n h GLU 133 Cb 0.69 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.20 1l3n h GLU 133 CO -0.29 0.73 0.42 0.66 -1.18 0.00 0.00 179.01 179.35 1l3n h SER 134 N 0.48 0.40 0.18 1.04 4.64 -1.08 0.15 113.55 119.37 1l3n h SER 134 Ca 0.07 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1l3n h SER 134 Cb 0.65 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1l3n h SER 134 CO 0.05 0.24 -0.01 1.07 -0.87 0.00 0.00 176.83 177.31 1l3n n THR 135 N -4.47 0.00 0.00 2.95 5.66 -1.22 -2.76 114.28 114.44 1l3n n THR 135 Ca 0.10 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1l3n n THR 135 Cb 0.37 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1l3n n THR 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1l3n n LYS 136 N -0.97 0.00 -0.74 1.09 5.02 0.48 -0.89 118.16 122.16 1l3n n LYS 136 Ca 0.20 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.48 1l3n n LYS 136 Cb 0.18 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.43 1l3n n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1l3n n THR 137 N -0.94 2.56 -1.34 -0.18 -2.24 -0.87 -4.50 114.28 106.78 1l3n n THR 137 Ca 0.00 -2.22 -0.12 0.00 -2.27 0.00 0.00 64.05 59.44 1l3n n THR 137 Cb 0.00 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 67.87 1l3n n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1l3n n GLY 138 N -0.78 1.24 2.48 3.38 0.00 -0.95 -1.07 105.19 109.48 1l3n n GLY 138 Ca 0.32 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 1l3n n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1l3n n ASN 139 N -0.42 -5.30 0.06 1.61 4.13 -1.25 -0.47 115.26 113.61 1l3n n ASN 139 Ca -0.12 0.29 0.06 0.00 1.68 0.00 0.00 54.58 56.50 1l3n n ASN 139 Cb 0.45 -4.41 0.30 0.00 -1.54 0.00 0.00 39.78 34.57 1l3n n ASN 139 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1l3n n ALA 140 N 0.20 1.28 -0.02 5.41 0.00 -0.23 -4.74 120.51 122.40 1l3n n ALA 140 Ca -0.20 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1l3n n ALA 140 Cb 0.63 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1l3n n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l3n n GLY 141 N -0.85 -1.53 3.69 0.00 0.00 -1.26 -0.19 105.19 105.05 1l3n n GLY 141 Ca 0.01 -1.32 -0.45 0.00 0.00 0.00 0.00 46.02 44.27 1l3n n GLY 141 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1l3n n SER 142 N 0.06 3.45 -3.77 1.61 2.88 -1.26 -4.47 113.62 112.12 1l3n n SER 142 Ca 0.00 1.07 -0.40 0.00 -1.33 0.00 0.00 58.87 58.21 1l3n n SER 142 Cb 0.00 -1.48 -0.08 0.00 -0.75 0.00 0.00 64.21 61.89 1l3n n SER 142 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1l3n n ARG 143 N 3.74 0.88 -0.21 -1.46 1.74 -1.26 -0.28 116.66 119.81 1l3n n ARG 143 Ca 0.17 -1.61 0.21 0.00 -0.77 0.00 0.00 57.85 55.85 1l3n n ARG 143 Cb 0.31 -2.95 0.57 0.00 -1.02 0.00 0.00 32.46 29.38 1l3n n ARG 143 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1l3n h LEU 144 N 16.43 0.28 -7.42 0.55 3.38 -1.71 -3.42 115.31 123.39 1l3n h LEU 144 Ca 0.31 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.19 1l3n h LEU 144 Cb 0.74 -0.02 -0.21 0.00 0.09 0.00 0.00 40.66 41.25 1l3n h LEU 144 CO 1.83 0.11 -0.23 0.00 0.09 0.00 0.00 178.44 180.24 1l3n s ALA 145 N -5.29 -0.92 0.02 1.53 0.00 -0.99 -0.62 121.76 115.49 1l3n s ALA 145 Ca -0.07 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 1l3n s ALA 145 Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 1l3n s ALA 145 CO 0.78 -0.25 0.00 0.00 0.00 0.00 0.00 175.76 176.29 1l3n s GLY 147 N -1.43 -0.13 0.19 0.00 0.00 0.06 -0.98 107.32 105.04 1l3n s GLY 147 Ca -0.16 -0.23 0.09 0.00 0.00 0.00 0.00 44.72 44.43 1l3n s GLY 147 CO -0.00 -0.07 -0.11 0.14 0.00 0.00 0.00 173.10 173.05 1l3n s VAL 148 N -3.85 3.07 0.00 1.40 1.01 -1.26 -0.31 120.40 120.46 1l3n s VAL 148 Ca 0.11 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.36 1l3n s VAL 148 Cb -0.05 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1l3n s VAL 148 CO 0.06 -0.13 0.00 -0.38 0.00 0.00 0.00 175.10 174.65 1l3n n ILE 149 N 0.03 0.00 0.00 2.22 5.41 -1.25 -3.77 119.36 122.00 1l3n n ILE 149 Ca -0.11 0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.84 1l3n n ILE 149 Cb 0.56 -0.62 0.00 0.00 -0.71 0.00 0.00 39.64 38.87 1l3n n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1l3n n GLY 150 N 1.77 2.43 3.78 7.39 0.00 -1.21 -3.89 105.19 115.46 1l3n n GLY 150 Ca 0.00 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 1l3n n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1l3n s ILE 151 N 0.00 2.12 -0.10 -0.61 1.01 -1.26 -0.94 121.20 121.42 1l3n s ILE 151 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.79 1l3n s ILE 151 Cb 0.00 -3.08 -0.07 0.00 0.01 0.00 0.00 42.46 39.33 1l3n s ILE 151 CO 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 174.94 174.89 1l3n n ALA 152 N 0.38 1.79 1.46 9.38 0.00 0.17 -4.77 120.51 128.92 1l3n n ALA 152 Ca 0.02 -0.43 0.14 0.00 0.00 0.00 0.00 53.44 53.16 1l3n n ALA 152 Cb 0.40 0.25 0.49 0.00 0.00 0.00 0.00 19.45 20.59 1l3n n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44