#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 -4.31 0.00 5.66 -1.26 -3.53 114.28 110.84 1l3n n THR 2 Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 1l3n n THR 2 Cb 0.00 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.64 1l3n n THR 2 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1l3n s LYS 3 N -0.93 0.69 0.24 1.09 2.20 -1.26 -0.60 119.74 121.17 1l3n s LYS 3 Ca 0.00 -0.38 -0.12 0.00 -0.36 0.00 0.00 55.97 55.11 1l3n s LYS 3 Cb 0.00 -0.65 -0.01 0.00 -1.51 0.00 0.00 37.83 35.66 1l3n s LYS 3 CO 0.00 0.17 0.44 0.00 -0.36 0.00 0.00 175.35 175.60 1l3n s ALA 4 N -0.36 -0.13 0.12 3.13 0.00 0.41 -0.79 121.76 124.14 1l3n s ALA 4 Ca 0.02 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1l3n s ALA 4 Cb -0.04 1.08 -0.04 0.00 0.00 0.00 0.00 23.12 24.11 1l3n s ALA 4 CO -0.00 -0.82 -0.02 0.14 0.00 0.00 0.00 175.76 175.06 1l3n s VAL 5 N -4.02 0.52 -0.34 0.00 -7.23 -0.95 -0.52 120.40 107.87 1l3n s VAL 5 Ca 0.23 -1.92 -0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1l3n s VAL 5 Cb 0.00 -1.84 0.11 0.00 0.56 0.00 0.00 36.38 35.21 1l3n s VAL 5 CO 0.08 -0.72 0.13 0.00 -0.31 0.00 0.00 175.10 174.29 1l3n s ALA 6 N -3.75 1.61 -0.56 1.32 0.00 0.53 -3.02 121.76 117.88 1l3n s ALA 6 Ca 0.16 -1.84 -0.26 0.00 0.00 0.00 0.00 51.96 50.02 1l3n s ALA 6 Cb 0.06 -1.67 0.04 0.00 0.00 0.00 0.00 23.12 21.55 1l3n s ALA 6 CO -0.02 -1.76 1.04 0.14 0.00 0.00 0.00 175.76 175.16 1l3n s VAL 7 N 1.36 4.24 -0.11 0.00 -7.23 -1.26 -1.34 120.40 116.06 1l3n s VAL 7 Ca 0.12 0.54 -0.06 0.00 -1.81 0.00 0.00 61.98 60.77 1l3n s VAL 7 Cb -0.19 -4.61 -0.04 0.00 0.56 0.00 0.00 36.38 32.10 1l3n s VAL 7 CO -0.19 -1.20 0.14 -0.76 -0.31 0.00 0.00 175.10 172.78 1l3n s LEU 8 N 4.36 4.37 0.19 1.32 1.43 0.39 -4.25 118.68 126.49 1l3n s LEU 8 Ca 0.36 0.45 -0.20 0.00 -1.03 0.00 0.00 54.13 53.71 1l3n s LEU 8 Cb -0.10 -2.13 0.04 0.00 0.03 0.00 0.00 46.19 44.03 1l3n s LEU 8 CO 0.22 0.39 0.58 -0.75 0.23 0.00 0.00 176.35 177.02 1l3n s LYS 9 N -1.13 1.40 0.03 1.70 2.20 -0.13 -0.44 119.74 123.37 1l3n s LYS 9 Ca 0.16 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 55.03 1l3n s LYS 9 Cb -0.12 0.56 0.00 0.00 -1.51 0.00 0.00 37.83 36.76 1l3n s LYS 9 CO 0.06 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 1l3n n GLY 10 N -0.37 -0.59 0.14 5.54 0.00 -1.23 -0.87 105.19 107.81 1l3n n GLY 10 Ca -0.12 0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 0.45 0.00 1.61 3.58 -1.01 -3.48 116.42 117.57 1l3n h ASP 11 Ca 0.00 -0.61 0.00 0.00 0.42 0.00 0.00 57.03 56.84 1l3n h ASP 11 Cb 0.00 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.92 1l3n h ASP 11 CO 0.00 0.99 0.00 0.61 -2.88 0.00 0.00 179.24 177.96 1l3n n GLY 12 N 0.60 1.74 0.34 -0.78 0.00 -1.26 -4.89 105.19 100.95 1l3n n GLY 12 Ca -0.08 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 0.56 -5.84 1.61 0.13 -1.93 -3.37 132.00 123.15 1l3n h PRO 13 Ca 0.00 -0.03 -0.49 0.00 -0.87 0.00 0.00 66.00 64.61 1l3n h PRO 13 Cb 0.00 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 30.99 1l3n h PRO 13 CO 0.00 0.37 1.48 0.08 -0.23 0.00 0.00 178.00 179.69 1l3n s VAL 14 N -5.52 3.20 -0.21 1.56 1.01 -1.26 -3.97 120.40 115.20 1l3n s VAL 14 Ca -0.09 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1l3n s VAL 14 Cb 0.19 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 33.10 1l3n s VAL 14 CO 0.75 -0.47 -0.16 0.00 0.00 0.00 0.00 175.10 175.22 1l3n s GLN 15 N 7.48 2.73 0.06 2.72 -2.07 0.37 -3.94 119.66 127.01 1l3n s GLN 15 Ca 0.82 -1.01 -0.08 0.00 -1.82 0.00 0.00 55.36 53.26 1l3n s GLN 15 Cb -0.16 -2.72 -0.05 0.00 -1.09 0.00 0.00 33.01 28.99 1l3n s GLN 15 CO 0.24 -0.35 0.34 0.20 -1.32 0.00 0.00 175.29 174.41 1l3n s GLY 16 N 1.23 2.29 -0.40 2.60 0.00 0.41 -1.16 107.32 112.29 1l3n s GLY 16 Ca -0.00 -0.48 0.10 0.00 0.00 0.00 0.00 44.72 44.34 1l3n s GLY 16 CO -0.09 -0.29 1.03 1.39 0.00 0.00 0.00 173.10 175.13 1l3n n ILE 17 N 0.90 0.08 -2.80 0.90 5.41 -1.17 -0.46 119.36 122.22 1l3n n ILE 17 Ca -0.09 -2.61 -0.40 0.00 1.00 0.00 0.00 62.75 60.66 1l3n n ILE 17 Cb 0.52 0.79 -0.06 0.00 -0.71 0.00 0.00 39.64 40.18 1l3n n ILE 17 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1l3n s ILE 18 N -0.97 4.14 -0.34 1.39 -1.09 -0.45 -4.33 121.20 119.54 1l3n s ILE 18 Ca 0.28 2.00 -0.13 0.00 -2.23 0.00 0.00 60.65 60.57 1l3n s ILE 18 Cb 0.35 -4.28 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 1l3n s ILE 18 CO -0.05 0.49 0.25 0.20 -1.23 0.00 0.00 174.94 174.60 1l3n s ASN 19 N -1.20 6.07 -0.43 3.58 0.02 0.40 -0.35 114.94 123.04 1l3n s ASN 19 Ca 0.40 -0.41 -0.20 0.00 -1.02 0.00 0.00 52.86 51.63 1l3n s ASN 19 Cb -0.25 -2.14 0.02 0.00 0.02 0.00 0.00 41.25 38.90 1l3n s ASN 19 CO 0.30 -0.25 0.61 -0.36 0.02 0.00 0.00 177.10 177.43 1l3n s PHE 20 N 1.75 3.09 0.04 2.20 0.40 0.33 -1.41 117.98 124.37 1l3n s PHE 20 Ca 0.07 -0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.36 1l3n s PHE 20 Cb -0.17 -3.26 -0.02 0.00 0.51 0.00 0.00 43.02 40.07 1l3n s PHE 20 CO 0.11 -0.83 -0.13 -2.00 0.70 0.00 0.00 175.22 173.07 1l3n s GLU 21 N 2.70 0.84 0.00 0.44 2.12 -0.59 -0.44 118.70 123.76 1l3n s GLU 21 Ca 0.21 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.78 1l3n s GLU 21 Cb -0.15 -0.82 0.00 0.00 0.26 0.00 0.00 34.13 33.42 1l3n s GLU 21 CO 0.18 0.20 0.60 0.00 -0.54 0.00 0.00 175.26 175.70 1l3n n GLN 22 N 1.81 0.00 0.00 4.30 10.64 0.23 -1.24 117.38 133.12 1l3n n GLN 22 Ca -0.19 -0.48 0.00 0.00 -1.83 0.00 0.00 57.00 54.51 1l3n n GLN 22 Cb 0.55 -0.29 0.00 0.00 -0.86 0.00 0.00 30.24 29.63 1l3n n GLN 22 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1l3n n LYS 23 N 0.00 0.00 0.00 2.61 4.76 -1.25 -3.59 118.16 120.70 1l3n n LYS 23 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1l3n n LYS 23 Cb 0.57 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 1l3n n LYS 23 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1l3n n GLU 24 N 0.00 2.46 0.11 1.97 2.13 -1.26 -4.91 120.64 121.14 1l3n n GLU 24 Ca 0.00 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.88 1l3n n GLU 24 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 1l3n n GLU 24 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1l3n h SER 25 N 0.00 0.00 1.00 4.31 0.87 -1.84 -3.37 113.55 114.52 1l3n h SER 25 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1l3n h SER 25 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1l3n h SER 25 CO 0.00 0.31 -1.02 0.78 -0.53 0.00 0.00 176.83 176.36 1l3n h ASN 26 N 0.00 0.00 -4.13 6.23 2.35 -1.90 -3.43 115.58 114.70 1l3n h ASN 26 Ca -0.05 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.18 1l3n h ASN 26 Cb 1.28 0.00 0.12 0.00 0.05 0.00 0.00 38.32 39.77 1l3n h ASN 26 CO 0.03 0.13 0.44 -0.83 -1.65 0.00 0.00 177.43 175.54 1l3n s GLY 27 N -4.45 2.55 0.27 2.83 0.00 -1.24 -4.99 107.32 102.30 1l3n s GLY 27 Ca -0.01 0.90 -0.29 0.00 0.00 0.00 0.00 44.72 45.32 1l3n s GLY 27 CO 0.79 1.28 1.30 2.56 0.00 0.00 0.00 173.10 179.03 1l3n s PRO 28 N -3.58 4.39 0.22 2.90 0.04 -1.26 -4.83 135.00 132.88 1l3n s PRO 28 Ca 0.75 2.13 -0.30 0.00 0.04 0.00 0.00 61.00 63.62 1l3n s PRO 28 Cb -0.28 -3.13 -0.08 0.00 0.04 0.00 0.00 34.50 31.04 1l3n s PRO 28 CO 0.37 -0.20 1.01 0.54 0.04 0.00 0.00 177.00 178.76 1l3n s VAL 29 N -0.54 3.94 -0.14 -0.36 0.11 -1.24 -4.53 120.40 117.65 1l3n s VAL 29 Ca 0.53 1.85 0.02 0.00 -2.93 0.00 0.00 61.98 61.45 1l3n s VAL 29 Cb -0.38 -4.18 0.01 0.00 -1.53 0.00 0.00 36.38 30.30 1l3n s VAL 29 CO 0.45 0.40 -0.21 -0.75 -3.33 0.00 0.00 175.10 171.66 1l3n s LYS 30 N -0.95 3.04 -0.96 1.54 2.20 -0.37 -1.68 119.74 122.56 1l3n s LYS 30 Ca 0.44 -0.84 -0.00 0.00 -0.36 0.00 0.00 55.97 55.21 1l3n s LYS 30 Cb -0.28 -2.46 0.33 0.00 -1.51 0.00 0.00 37.83 33.91 1l3n s LYS 30 CO 0.35 -0.02 1.72 1.33 -0.36 0.00 0.00 175.35 178.37 1l3n n VAL 31 N 4.08 5.56 -2.74 4.02 0.24 0.15 -1.55 118.33 128.10 1l3n n VAL 31 Ca -0.20 -5.83 -0.36 0.00 -2.04 0.00 0.00 64.34 55.91 1l3n n VAL 31 Cb 0.51 -1.51 -0.06 0.00 -1.47 0.00 0.00 33.84 31.31 1l3n n VAL 31 CO 0.00 0.00 0.00 -1.66 -2.14 0.00 0.00 176.83 173.03 1l3n s TRP 32 N -4.21 3.52 -3.90 6.34 -2.14 -0.50 -4.25 118.94 113.80 1l3n s TRP 32 Ca 0.41 1.72 0.00 0.00 2.66 0.00 0.00 56.10 60.89 1l3n s TRP 32 Cb 0.22 -2.95 0.00 0.00 -3.10 0.00 0.00 33.47 27.64 1l3n s TRP 32 CO -0.15 -0.03 0.00 0.41 -2.66 0.00 0.00 176.95 174.52 1l3n n GLY 33 N 0.24 -1.31 2.60 3.67 0.00 0.25 -0.45 105.19 110.19 1l3n n GLY 33 Ca 0.04 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 1l3n n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l3n s SER 34 N -4.00 2.67 -0.03 1.61 0.01 -1.26 -0.46 113.70 112.25 1l3n s SER 34 Ca 0.00 -0.79 -0.30 0.00 1.31 0.00 0.00 55.95 56.17 1l3n s SER 34 Cb 0.00 -0.29 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 1l3n s SER 34 CO 0.00 -0.37 1.06 0.27 0.41 0.00 0.00 173.24 174.61 1l3n s ILE 35 N 2.11 4.61 0.03 1.44 -4.36 -0.81 -4.18 121.20 120.04 1l3n s ILE 35 Ca 0.04 1.88 0.02 0.00 -0.26 0.00 0.00 60.65 62.33 1l3n s ILE 35 Cb -0.16 -4.21 -0.04 0.00 1.25 0.00 0.00 42.46 39.31 1l3n s ILE 35 CO -0.16 0.08 0.02 -0.75 0.24 0.00 0.00 174.94 174.38 1l3n s LYS 36 N 1.48 2.79 0.00 0.37 2.20 -0.31 -0.50 119.74 125.77 1l3n s LYS 36 Ca 0.53 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.49 1l3n s LYS 36 Cb -0.22 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 1l3n s LYS 36 CO 0.24 0.60 0.00 0.41 -0.36 0.00 0.00 175.35 176.25 1l3n n GLY 37 N 1.06 0.75 3.37 5.54 0.00 -0.60 -0.48 105.19 114.83 1l3n n GLY 37 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.58 0.22 0.99 2.01 -0.74 -4.19 118.68 116.39 1l3n s LEU 38 Ca 0.00 0.93 0.09 0.00 0.01 0.00 0.00 54.13 55.16 1l3n s LEU 38 Cb 0.00 -2.48 -0.04 0.00 0.01 0.00 0.00 46.19 43.68 1l3n s LEU 38 CO 0.00 -5.03 -0.05 0.28 1.01 0.00 0.00 176.35 172.56 1l3n s THR 39 N -2.40 3.35 -0.13 5.49 -1.32 -1.26 -3.80 115.64 115.57 1l3n s THR 39 Ca 0.69 -1.76 -0.38 0.00 -1.21 0.00 0.00 61.69 59.02 1l3n s THR 39 Cb -0.15 -2.72 -0.16 0.00 -1.51 0.00 0.00 72.50 67.96 1l3n s THR 39 CO 0.59 -0.24 1.62 1.21 -2.21 0.00 0.00 174.62 175.59 1l3n n GLU 40 N -0.41 1.27 0.00 7.08 2.13 -1.25 -4.59 120.64 124.88 1l3n n GLU 40 Ca -0.09 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.20 1l3n n GLU 40 Cb 0.57 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.13 1l3n n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1l3n n GLY 41 N 3.65 0.01 3.79 8.31 0.00 -0.24 -4.94 105.19 115.77 1l3n n GLY 41 Ca 0.23 -2.28 -0.36 0.00 0.00 0.00 0.00 46.02 43.62 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 4.12 -0.08 0.99 2.01 -1.26 -0.54 118.68 123.92 1l3n s LEU 42 Ca 0.00 1.91 -0.13 0.00 0.01 0.00 0.00 54.13 55.92 1l3n s LEU 42 Cb 0.00 -4.25 0.03 0.00 0.01 0.00 0.00 46.19 41.98 1l3n s LEU 42 CO 0.00 -0.39 0.33 -1.00 1.01 0.00 0.00 176.35 176.30 1l3n s HIS 43 N -1.78 -0.29 -0.12 0.29 3.76 0.72 -3.91 115.29 113.95 1l3n s HIS 43 Ca 0.58 0.65 -0.28 0.00 -0.15 0.00 0.00 55.06 55.86 1l3n s HIS 43 Cb -0.18 0.11 -0.13 0.00 1.11 0.00 0.00 32.58 33.49 1l3n s HIS 43 CO 0.23 -0.26 0.83 0.41 -0.85 0.00 0.00 174.74 175.10 1l3n n GLY 44 N 2.25 -0.07 2.90 -2.22 0.00 0.98 -0.73 105.19 108.30 1l3n n GLY 44 Ca -0.16 0.56 -0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 0.74 -0.82 0.30 1.61 2.19 0.44 -1.05 117.98 121.39 1l3n s PHE 45 Ca 0.63 0.70 -0.10 0.00 0.33 0.00 0.00 56.93 58.49 1l3n s PHE 45 Cb -0.89 -0.04 0.01 0.00 -1.31 0.00 0.00 43.02 40.79 1l3n s PHE 45 CO 0.44 -0.76 0.53 -1.01 1.83 0.00 0.00 175.22 176.25 1l3n s HIS 46 N 2.53 0.56 0.26 10.12 0.09 -0.63 -1.08 115.29 127.15 1l3n s HIS 46 Ca 0.12 -0.93 -0.09 0.00 -0.00 0.00 0.00 55.06 54.16 1l3n s HIS 46 Cb -0.15 0.21 -0.07 0.00 -0.00 0.00 0.00 32.58 32.57 1l3n s HIS 46 CO -0.19 -1.14 0.57 0.54 -0.00 0.00 0.00 174.74 174.53 1l3n s VAL 47 N -3.39 4.93 0.01 -0.90 0.11 0.72 -0.35 120.40 121.54 1l3n s VAL 47 Ca 0.24 0.41 0.05 0.00 -2.93 0.00 0.00 61.98 59.75 1l3n s VAL 47 Cb -0.01 -3.65 -0.02 0.00 -1.53 0.00 0.00 36.38 31.17 1l3n s VAL 47 CO 0.13 -0.17 -0.17 -1.00 -3.33 0.00 0.00 175.10 170.57 1l3n s HIS 48 N -1.93 1.47 0.18 1.54 3.76 0.86 -4.66 115.29 116.52 1l3n s HIS 48 Ca 0.47 -0.32 -0.18 0.00 -0.15 0.00 0.00 55.06 54.88 1l3n s HIS 48 Cb -0.11 -0.91 0.13 0.00 1.11 0.00 0.00 32.58 32.80 1l3n s HIS 48 CO 0.24 0.02 1.33 -1.91 -0.85 0.00 0.00 174.74 173.57 1l3n n GLU 49 N 2.28 -0.25 -3.56 1.40 2.13 -0.86 -3.28 120.64 118.49 1l3n n GLU 49 Ca -0.16 1.32 -0.21 0.00 0.66 0.00 0.00 57.16 58.77 1l3n n GLU 49 Cb 0.54 -1.95 -0.03 0.00 0.27 0.00 0.00 31.44 30.27 1l3n n GLU 49 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1l3n s PHE 50 N -5.71 2.74 -0.14 4.31 0.08 0.18 -4.78 117.98 114.66 1l3n s PHE 50 Ca -0.11 -0.46 0.20 0.00 0.12 0.00 0.00 56.93 56.67 1l3n s PHE 50 Cb 0.15 -2.13 -0.16 0.00 -0.57 0.00 0.00 43.02 40.31 1l3n s PHE 50 CO 0.59 -0.10 0.72 0.41 -0.10 0.00 0.00 175.22 176.74 1l3n n GLY 51 N -1.54 -1.20 3.73 4.36 0.00 -0.99 -0.98 105.19 108.56 1l3n n GLY 51 Ca 0.03 -0.26 -0.63 0.00 0.00 0.00 0.00 46.02 45.16 1l3n n GLY 51 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1l3n n ASP 52 N -2.68 1.67 -0.07 1.61 2.03 -1.26 -4.78 116.55 113.07 1l3n n ASP 52 Ca -0.09 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.37 1l3n n ASP 52 Cb 0.74 -0.99 0.01 0.00 -0.72 0.00 0.00 41.12 40.16 1l3n n ASP 52 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1l3n n ASN 53 N 4.49 0.54 0.01 1.67 5.03 -1.26 -3.27 115.26 122.48 1l3n n ASN 53 Ca 0.29 -1.46 0.06 0.00 0.87 0.00 0.00 54.58 54.34 1l3n n ASN 53 Cb 0.02 -0.05 0.46 0.00 -1.02 0.00 0.00 39.78 39.19 1l3n n ASN 53 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 1l3n h THR 54 N 2.77 1.06 0.00 3.41 2.02 -2.00 0.33 112.91 120.50 1l3n h THR 54 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1l3n h THR 54 Cb 0.95 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1l3n h THR 54 CO 0.00 0.09 0.00 0.00 0.37 0.00 0.00 175.52 175.98 1l3n h ALA 55 N 1.76 1.00 0.00 6.16 0.00 -2.01 -3.46 119.26 122.71 1l3n h ALA 55 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1l3n h ALA 55 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1l3n h ALA 55 CO -0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1l3n n GLY 56 N 0.93 0.70 4.41 0.00 0.00 0.11 -4.79 105.19 106.54 1l3n n GLY 56 Ca 0.04 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 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 -4.06 1.07 0.31 0.00 -1.04 -1.26 -4.57 114.28 104.73 1l3n n THR 58 Ca 0.11 -0.07 0.13 0.00 -2.04 0.00 0.00 64.05 62.17 1l3n n THR 58 Cb 0.46 -1.83 0.57 0.00 -1.82 0.00 0.00 70.33 67.71 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 -0.59 0.00 0.00 8.00 0.02 -1.85 -3.29 113.55 115.83 1l3n h SER 59 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1l3n h SER 59 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1l3n h SER 59 CO -0.17 0.00 0.16 0.00 -1.14 0.00 0.00 176.83 175.68 1l3n n ALA 60 N -1.82 0.60 0.00 3.77 0.00 -1.20 -4.81 120.51 117.04 1l3n n ALA 60 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1l3n n ALA 60 Cb 0.17 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.07 2.09 2.47 0.00 0.00 -1.24 -0.65 105.19 106.79 1l3n n GLY 61 Ca 0.00 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 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 2.13 2.88 -3.06 1.61 -0.04 -1.26 -4.11 135.00 133.14 1l3n n PRO 62 Ca 0.00 -1.83 -0.17 0.00 -0.04 0.00 0.00 63.50 61.46 1l3n n PRO 62 Cb 0.00 -2.63 0.04 0.00 -0.04 0.00 0.00 33.50 30.87 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 3.94 -1.79 -0.95 0.54 8.25 -1.26 -4.50 115.22 119.44 1l3n n HIS 63 Ca 0.61 0.57 -0.29 0.00 -0.26 0.00 0.00 57.72 58.35 1l3n n HIS 63 Cb 0.18 -3.78 -0.02 0.00 1.12 0.00 0.00 29.99 27.48 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 -4.27 1.73 -2.24 4.41 3.72 -1.26 -4.87 117.46 114.68 1l3n n PHE 64 Ca -0.04 -2.16 -0.33 0.00 -0.05 0.00 0.00 57.45 54.87 1l3n n PHE 64 Cb 0.57 -1.85 -0.01 0.00 -0.94 0.00 0.00 39.48 37.26 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 3.50 5.97 0.20 4.37 2.20 -1.26 -4.67 114.94 125.25 1l3n s ASN 65 Ca 0.47 1.89 -0.11 0.00 -0.94 0.00 0.00 52.86 54.17 1l3n s ASN 65 Cb 0.12 -2.55 0.14 0.00 -2.00 0.00 0.00 41.25 36.97 1l3n s ASN 65 CO -0.01 -1.04 1.86 1.55 -2.94 0.00 0.00 177.10 176.52 1l3n h PRO 66 N 0.89 0.96 -3.01 3.55 0.13 -1.93 -2.87 132.00 129.73 1l3n h PRO 66 Ca -0.48 -0.07 -0.56 0.00 -0.87 0.00 0.00 66.00 64.02 1l3n h PRO 66 Cb 1.22 -0.21 0.02 0.00 0.13 0.00 0.00 31.00 32.16 1l3n h PRO 66 CO 0.58 0.66 3.21 -0.11 -0.23 0.00 0.00 178.00 182.11 1l3n n LEU 67 N -4.56 7.58 -4.39 1.56 7.94 -1.26 -4.92 117.00 118.96 1l3n n LEU 67 Ca 0.06 -3.92 -0.50 0.00 -1.11 0.00 0.00 56.01 50.55 1l3n n LEU 67 Cb 0.04 -1.43 -0.13 0.00 0.53 0.00 0.00 43.42 42.42 1l3n n LEU 67 CO 0.36 1.71 1.99 -1.54 -1.11 0.00 0.00 177.39 178.80 1l3n n SER 68 N 3.62 0.60 -3.85 1.96 3.41 -1.08 -4.79 113.62 113.48 1l3n n SER 68 Ca 0.68 0.40 -0.18 0.00 -0.26 0.00 0.00 58.87 59.51 1l3n n SER 68 Cb 0.26 -0.94 -0.09 0.00 -0.26 0.00 0.00 64.21 63.19 1l3n n SER 68 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1l3n s ARG 69 N 7.54 1.58 -0.35 4.33 0.52 -1.26 -5.11 118.95 126.19 1l3n s ARG 69 Ca 1.27 -1.90 -0.13 0.00 -0.52 0.00 0.00 55.73 54.46 1l3n s ARG 69 Cb -1.33 0.08 -0.00 0.00 0.52 0.00 0.00 34.95 34.21 1l3n s ARG 69 CO 0.56 -0.50 0.23 0.15 0.02 0.00 0.00 175.30 175.77 1l3n s LYS 70 N -3.77 3.31 -0.47 3.54 -0.14 -1.14 -4.83 119.74 116.24 1l3n s LYS 70 Ca 0.37 -0.77 -0.17 0.00 -1.36 0.00 0.00 55.97 54.05 1l3n s LYS 70 Cb 0.04 -3.79 -0.11 0.00 -1.68 0.00 0.00 37.83 32.29 1l3n s LYS 70 CO 0.19 -0.52 1.33 1.58 -0.76 0.00 0.00 175.35 177.17 1l3n n HIS 71 N 5.09 0.33 -1.37 3.18 -0.00 -0.27 -4.27 115.22 117.90 1l3n n HIS 71 Ca -0.12 0.22 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 1l3n n HIS 71 Cb 0.49 -1.20 0.00 0.00 -0.00 0.00 0.00 29.99 29.27 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 3.39 4.19 0.00 1.57 0.00 -1.16 -1.16 105.19 112.02 1l3n n GLY 72 Ca 0.33 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 5.00 2.64 0.00 -0.02 0.00 -1.26 -4.61 105.19 106.94 1l3n n GLY 73 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.69 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 0.09 0.16 1.61 -0.04 -1.26 -0.42 135.00 135.13 1l3n n PRO 74 Ca 0.00 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 1l3n n PRO 74 Cb 0.00 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.06 1l3n n PRO 74 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1l3n h LYS 75 N 0.00 0.00 -5.15 0.54 1.79 -1.93 -3.48 116.57 108.34 1l3n h LYS 75 Ca 0.00 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.10 1l3n h LYS 75 Cb 0.03 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.53 1l3n h LYS 75 CO 0.00 0.00 -0.69 0.34 -1.08 0.00 0.00 179.45 178.02 1l3n s ASP 76 N -5.68 1.94 0.20 0.86 -1.08 0.44 -5.01 116.67 108.35 1l3n s ASP 76 Ca 0.04 -1.10 0.18 0.00 -0.52 0.00 0.00 52.55 51.14 1l3n s ASP 76 Cb 0.08 -0.02 0.00 0.00 -1.46 0.00 0.00 42.92 41.52 1l3n s ASP 76 CO 0.73 -0.38 1.16 1.05 0.52 0.00 0.00 175.17 178.24 1l3n h GLU 77 N 2.61 0.00 -0.19 4.34 4.11 -1.94 -3.35 114.58 120.16 1l3n h GLU 77 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.05 1l3n h GLU 77 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1l3n h GLU 77 CO 0.64 0.30 0.00 0.39 0.07 0.00 0.00 179.01 180.40 1l3n n GLU 78 N -3.00 1.52 -1.63 1.06 -0.58 -1.26 -4.86 120.64 111.89 1l3n n GLU 78 Ca -0.03 -0.80 -0.54 0.00 -0.42 0.00 0.00 57.16 55.38 1l3n n GLU 78 Cb 0.73 -1.25 -0.06 0.00 -0.57 0.00 0.00 31.44 30.28 1l3n n GLU 78 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1l3n n ARG 79 N 0.10 1.18 0.03 3.49 1.85 -1.26 -2.88 116.66 119.17 1l3n n ARG 79 Ca 0.11 0.43 -0.13 0.00 -1.00 0.00 0.00 57.85 57.25 1l3n n ARG 79 Cb 0.21 -2.09 -0.07 0.00 -1.05 0.00 0.00 32.46 29.47 1l3n n ARG 79 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1l3n h HIS 80 N 5.46 -1.23 0.00 2.89 3.86 -1.84 -3.45 115.15 120.83 1l3n h HIS 80 Ca -0.47 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 1l3n h HIS 80 Cb 1.33 0.55 0.00 0.00 1.06 0.00 0.00 27.41 30.35 1l3n h HIS 80 CO 0.66 -0.49 0.00 1.55 0.86 0.00 0.00 177.93 180.50 1l3n n VAL 81 N -5.44 0.00 -2.92 2.45 3.14 -1.26 -4.63 118.33 109.66 1l3n n VAL 81 Ca -0.05 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.14 1l3n n VAL 81 Cb 0.37 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.13 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 -1.01 3.86 3.35 7.55 0.00 -1.26 -4.92 105.19 112.75 1l3n n GLY 82 Ca 0.00 -1.97 -0.46 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.96 6.34 0.28 1.61 1.01 -1.26 -0.20 116.67 121.48 1l3n s ASP 83 Ca 0.40 -1.88 0.14 0.00 0.71 0.00 0.00 52.55 51.92 1l3n s ASP 83 Cb 0.37 -2.25 0.26 0.00 1.01 0.00 0.00 42.92 42.30 1l3n s ASP 83 CO -0.08 -0.90 1.53 -0.07 0.21 0.00 0.00 175.17 175.86 1l3n h LEU 84 N 9.13 0.00 0.00 1.23 3.38 -1.61 -3.37 115.31 124.07 1l3n h LEU 84 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1l3n h LEU 84 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1l3n h LEU 84 CO 1.01 0.58 0.00 0.61 0.09 0.00 0.00 178.44 180.72 1l3n n GLY 85 N 0.78 1.13 2.97 0.83 0.00 -0.24 -4.33 105.19 106.32 1l3n n GLY 85 Ca 0.00 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 4.62 -0.08 1.61 0.01 -1.26 -0.42 114.94 115.42 1l3n s ASN 86 Ca 0.00 -2.04 -0.13 0.00 -0.71 0.00 0.00 52.86 49.98 1l3n s ASN 86 Cb 0.00 -1.48 -0.05 0.00 0.41 0.00 0.00 41.25 40.13 1l3n s ASN 86 CO 0.00 -0.38 0.31 0.68 -1.51 0.00 0.00 177.10 176.20 1l3n s VAL 87 N 1.04 5.23 -0.26 1.60 -7.23 0.10 -4.70 120.40 116.19 1l3n s VAL 87 Ca 0.10 0.60 -0.24 0.00 -1.81 0.00 0.00 61.98 60.63 1l3n s VAL 87 Cb -0.19 -3.61 -0.00 0.00 0.56 0.00 0.00 36.38 33.14 1l3n s VAL 87 CO -0.11 0.53 0.83 -0.89 -0.31 0.00 0.00 175.10 175.14 1l3n s THR 88 N -0.58 4.82 -0.12 5.32 2.01 -1.26 -0.20 115.64 125.63 1l3n s THR 88 Ca 0.20 1.50 -0.12 0.00 0.31 0.00 0.00 61.69 63.57 1l3n s THR 88 Cb -0.14 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.19 1l3n s THR 88 CO 0.08 -0.11 0.28 0.00 -0.69 0.00 0.00 174.62 174.18 1l3n s ALA 89 N 2.88 3.69 1.15 7.40 0.00 0.29 -3.94 121.76 133.24 1l3n s ALA 89 Ca 0.35 -0.45 -0.13 0.00 0.00 0.00 0.00 51.96 51.72 1l3n s ALA 89 Cb -0.15 -2.28 0.28 0.00 0.00 0.00 0.00 23.12 20.97 1l3n s ALA 89 CO 0.08 0.31 1.03 0.34 0.00 0.00 0.00 175.76 177.52 1l3n s ASP 90 N -0.24 1.11 0.62 0.00 2.15 0.21 -1.08 116.67 119.44 1l3n s ASP 90 Ca 0.17 1.42 0.38 0.00 0.43 0.00 0.00 52.55 54.96 1l3n s ASP 90 Cb -0.13 -2.21 2.07 0.00 -0.30 0.00 0.00 42.92 42.35 1l3n s ASP 90 CO 0.06 -4.11 2.27 0.07 -0.17 0.00 0.00 175.17 173.29 1l3n h LYS 91 N -2.56 0.00 0.00 4.34 2.10 -1.92 0.20 116.57 118.73 1l3n h LYS 91 Ca -0.61 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.04 1l3n h LYS 91 Cb 1.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 1l3n h LYS 91 CO 0.52 0.02 0.00 -3.47 -2.00 0.00 0.00 179.45 174.51 1l3n n ASP 92 N -3.30 0.00 0.00 7.07 2.03 -1.26 -4.72 116.55 116.37 1l3n n ASP 92 Ca -0.02 -0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.06 1l3n n ASP 92 Cb 0.12 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 1l3n n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1l3n n GLY 93 N 0.88 0.71 3.56 0.27 0.00 0.68 -4.21 105.19 107.09 1l3n n GLY 93 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.58 4.15 -0.31 1.61 1.01 -1.24 -1.56 120.40 121.47 1l3n s VAL 94 Ca 0.00 0.70 -0.10 0.00 0.00 0.00 0.00 61.98 62.58 1l3n s VAL 94 Cb 0.00 -4.66 -0.02 0.00 0.00 0.00 0.00 36.38 31.70 1l3n s VAL 94 CO 0.00 -1.26 0.16 0.00 0.00 0.00 0.00 175.10 174.00 1l3n s ALA 95 N 4.60 3.32 -0.63 5.51 0.00 0.35 -0.62 121.76 134.29 1l3n s ALA 95 Ca 0.39 -1.33 -0.28 0.00 0.00 0.00 0.00 51.96 50.74 1l3n s ALA 95 Cb -0.09 -2.40 0.03 0.00 0.00 0.00 0.00 23.12 20.66 1l3n s ALA 95 CO 0.23 -0.83 1.21 0.16 0.00 0.00 0.00 175.76 176.53 1l3n s ASP 96 N 1.64 6.35 -0.07 0.00 -4.77 -1.25 -1.92 116.67 116.66 1l3n s ASP 96 Ca 0.05 -0.09 -0.20 0.00 -3.30 0.00 0.00 52.55 49.02 1l3n s ASP 96 Cb -0.17 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.07 1l3n s ASP 96 CO 0.07 -1.59 0.55 -0.69 0.70 0.00 0.00 175.17 174.21 1l3n s VAL 97 N 5.16 5.08 -0.43 2.11 1.01 0.40 -4.88 120.40 128.84 1l3n s VAL 97 Ca 0.40 1.12 0.08 0.00 0.00 0.00 0.00 61.98 63.57 1l3n s VAL 97 Cb -0.08 -3.88 0.34 0.00 0.00 0.00 0.00 36.38 32.76 1l3n s VAL 97 CO 0.22 0.35 1.13 -1.20 0.00 0.00 0.00 175.10 175.60 1l3n n SER 98 N 3.34 -1.85 -4.90 3.32 7.64 -1.26 -0.58 113.62 119.33 1l3n n SER 98 Ca -0.06 -3.35 -0.30 0.00 1.01 0.00 0.00 58.87 56.16 1l3n n SER 98 Cb 0.51 1.43 -0.04 0.00 -1.01 0.00 0.00 64.21 65.11 1l3n n SER 98 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1l3n s ILE 99 N -0.10 5.25 0.09 0.44 1.09 -1.26 -4.93 121.20 121.78 1l3n s ILE 99 Ca 0.24 -0.49 0.07 0.00 -1.10 0.00 0.00 60.65 59.36 1l3n s ILE 99 Cb 0.32 -3.58 -0.03 0.00 -1.06 0.00 0.00 42.46 38.11 1l3n s ILE 99 CO -0.06 0.10 -0.17 -1.83 -0.10 0.00 0.00 174.94 172.89 1l3n s GLU 100 N -2.60 0.98 -0.23 2.79 -1.05 -1.26 -0.67 118.70 116.65 1l3n s GLU 100 Ca 0.34 -1.09 -0.10 0.00 -0.15 0.00 0.00 54.97 53.98 1l3n s GLU 100 Cb -0.13 -1.07 0.09 0.00 -0.44 0.00 0.00 34.13 32.59 1l3n s GLU 100 CO 0.27 0.24 0.52 0.34 0.95 0.00 0.00 175.26 177.58 1l3n s ASP 101 N -1.93 -0.64 0.00 0.83 -1.08 -0.68 -5.00 116.67 108.18 1l3n s ASP 101 Ca 0.03 1.19 0.29 0.00 -0.52 0.00 0.00 52.55 53.54 1l3n s ASP 101 Cb -0.09 1.41 1.73 0.00 -1.46 0.00 0.00 42.92 44.52 1l3n s ASP 101 CO 0.03 -0.22 2.09 -0.24 0.52 0.00 0.00 175.17 177.35 1l3n n SER 102 N 4.92 0.00 0.18 -0.34 2.88 -1.26 -3.30 113.62 116.69 1l3n n SER 102 Ca -0.15 -1.00 0.06 0.00 -1.33 0.00 0.00 58.87 56.45 1l3n n SER 102 Cb 0.53 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.23 1l3n n SER 102 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1l3n h VAL 103 N 0.00 0.74 -2.28 2.46 3.04 -1.96 -3.45 116.25 114.79 1l3n h VAL 103 Ca 0.00 -1.66 -0.54 0.00 -1.01 0.00 0.00 66.70 63.49 1l3n h VAL 103 Cb 0.00 2.08 -0.07 0.00 -2.01 0.00 0.00 31.29 31.29 1l3n h VAL 103 CO 0.00 0.36 -0.58 -0.63 -1.01 0.00 0.00 177.57 175.70 1l3n s ILE 104 N -3.34 4.01 -0.10 3.17 1.09 -1.21 -5.05 121.20 119.77 1l3n s ILE 104 Ca 0.02 -1.58 -0.18 0.00 -1.10 0.00 0.00 60.65 57.81 1l3n s ILE 104 Cb 0.09 -3.14 0.04 0.00 -1.06 0.00 0.00 42.46 38.39 1l3n s ILE 104 CO 0.69 -0.33 0.44 -0.44 -0.10 0.00 0.00 174.94 175.21 1l3n s SER 105 N -3.66 -0.41 0.00 3.58 0.01 -1.26 -3.93 113.70 108.03 1l3n s SER 105 Ca 0.32 0.60 0.07 0.00 1.31 0.00 0.00 55.95 58.26 1l3n s SER 105 Cb -0.08 0.66 0.34 0.00 0.21 0.00 0.00 66.02 67.15 1l3n s SER 105 CO 0.22 -0.33 1.19 0.18 0.41 0.00 0.00 173.24 174.92 1l3n n LEU 106 N 2.01 0.00 -3.73 2.44 4.77 -1.26 -3.98 117.00 117.25 1l3n n LEU 106 Ca -0.17 0.43 -0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1l3n n LEU 106 Cb 0.57 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 1l3n n LEU 106 CO 0.17 -0.32 0.06 -0.44 -1.33 0.00 0.00 177.39 175.53 1l3n s SER 107 N -2.86 -0.43 0.00 -1.43 0.01 -1.26 -4.59 113.70 103.14 1l3n s SER 107 Ca 0.05 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.11 1l3n s SER 107 Cb 0.05 0.79 0.00 0.00 0.21 0.00 0.00 66.02 67.07 1l3n s SER 107 CO 0.13 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1l3n n GLY 108 N 3.15 -1.31 1.25 3.44 0.00 -1.26 -4.92 105.19 105.55 1l3n n GLY 108 Ca -0.15 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.40 0.05 1.61 -0.08 -1.26 -4.97 116.55 111.50 1l3n n ASP 109 Ca 0.00 0.11 -0.13 0.00 -1.51 0.00 0.00 54.79 53.26 1l3n n ASP 109 Cb 0.00 0.66 -0.03 0.00 2.34 0.00 0.00 41.12 44.09 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 0.66 -6.67 -0.67 3.86 -1.93 -3.47 115.15 106.93 1l3n h HIS 110 Ca 0.00 -0.33 -0.47 0.00 -1.16 0.00 0.00 60.37 58.41 1l3n h HIS 110 Cb 0.00 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1l3n h HIS 110 CO 0.00 1.14 -1.07 0.45 0.86 0.00 0.00 177.93 179.31 1l3n n SER 111 N -3.80 -4.58 0.01 2.45 2.88 -1.26 -4.80 113.62 104.52 1l3n n SER 111 Ca -0.06 -0.89 0.00 0.00 -1.33 0.00 0.00 58.87 56.59 1l3n n SER 111 Cb 0.79 -1.51 0.02 0.00 -0.75 0.00 0.00 64.21 62.77 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 -2.38 1.63 -0.26 2.46 -0.00 -1.26 -3.14 119.36 116.40 1l3n n ILE 112 Ca -0.30 0.51 0.01 0.00 -0.00 0.00 0.00 62.75 62.97 1l3n n ILE 112 Cb 0.66 -1.51 0.05 0.00 -0.00 0.00 0.00 39.64 38.84 1l3n n ILE 112 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1l3n n ILE 113 N -1.45 -0.34 0.06 7.28 2.08 -1.26 -0.89 119.36 124.83 1l3n n ILE 113 Ca -0.00 1.62 0.10 0.00 0.56 0.00 0.00 62.75 65.03 1l3n n ILE 113 Cb 0.09 -2.16 0.28 0.00 -0.75 0.00 0.00 39.64 37.09 1l3n n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1l3n n GLY 114 N -1.36 1.88 3.88 7.39 0.00 -1.19 -3.37 105.19 112.42 1l3n n GLY 114 Ca 0.08 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.20 3.73 -0.08 1.61 3.00 -0.07 -2.36 118.95 123.58 1l3n s ARG 115 Ca 0.41 0.50 -0.19 0.00 0.00 0.00 0.00 55.73 56.45 1l3n s ARG 115 Cb 0.22 -2.32 -0.04 0.00 0.00 0.00 0.00 34.95 32.80 1l3n s ARG 115 CO 0.29 -0.16 0.54 0.99 0.00 0.00 0.00 175.30 176.95 1l3n s THR 116 N -2.58 5.10 -0.02 0.02 2.01 -0.15 -2.38 115.64 117.65 1l3n s THR 116 Ca 0.52 1.09 -0.03 0.00 0.31 0.00 0.00 61.69 63.58 1l3n s THR 116 Cb -0.10 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1l3n s THR 116 CO 0.37 0.35 0.18 -0.76 -0.69 0.00 0.00 174.62 174.07 1l3n s LEU 117 N 0.39 4.37 -0.01 4.42 2.01 0.29 -0.10 118.68 130.05 1l3n s LEU 117 Ca 0.29 0.37 0.01 0.00 0.01 0.00 0.00 54.13 54.80 1l3n s LEU 117 Cb -0.16 -2.58 0.01 0.00 0.01 0.00 0.00 46.19 43.47 1l3n s LEU 117 CO 0.13 0.27 -0.02 -0.69 1.01 0.00 0.00 176.35 177.05 1l3n s VAL 118 N -1.30 0.24 -0.07 -1.59 1.01 0.53 -0.88 120.40 118.34 1l3n s VAL 118 Ca 0.26 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 1l3n s VAL 118 Cb -0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1l3n s VAL 118 CO 0.17 0.10 0.08 0.68 0.00 0.00 0.00 175.10 176.14 1l3n s VAL 119 N 0.31 4.92 0.29 2.92 -7.23 0.41 -1.60 120.40 120.42 1l3n s VAL 119 Ca -0.03 -0.14 0.10 0.00 -1.81 0.00 0.00 61.98 60.10 1l3n s VAL 119 Cb -0.06 -3.17 -0.05 0.00 0.56 0.00 0.00 36.38 33.66 1l3n s VAL 119 CO -0.01 0.51 -0.14 -1.00 -0.31 0.00 0.00 175.10 174.15 1l3n s HIS 120 N -1.06 2.19 0.10 2.82 3.76 -0.22 -1.93 115.29 120.96 1l3n s HIS 120 Ca 0.18 -0.46 -0.23 0.00 -0.15 0.00 0.00 55.06 54.39 1l3n s HIS 120 Cb -0.12 -1.09 -0.11 0.00 1.11 0.00 0.00 32.58 32.38 1l3n s HIS 120 CO 0.08 0.57 1.71 1.49 -0.85 0.00 0.00 174.74 177.74 1l3n h GLU 121 N 2.24 -0.10 -5.69 1.40 4.22 -0.79 -3.12 114.58 112.74 1l3n h GLU 121 Ca -0.40 0.01 -0.61 0.00 0.08 0.00 0.00 59.36 58.43 1l3n h GLU 121 Cb 1.25 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.42 1l3n h GLU 121 CO 0.64 -0.07 -0.51 0.15 -2.18 0.00 0.00 179.01 177.05 1l3n s LYS 122 N -6.17 2.15 0.24 1.92 1.02 0.51 -4.74 119.74 114.67 1l3n s LYS 122 Ca -0.14 -2.06 -0.30 0.00 0.02 0.00 0.00 55.97 53.50 1l3n s LYS 122 Cb 0.07 -1.81 -0.09 0.00 -0.52 0.00 0.00 37.83 35.49 1l3n s LYS 122 CO 0.66 -0.21 1.05 0.00 -0.92 0.00 0.00 175.35 175.94 1l3n s ALA 123 N -2.71 3.38 0.76 5.17 0.00 -1.25 -0.02 121.76 127.08 1l3n s ALA 123 Ca 0.31 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.95 1l3n s ALA 123 Cb 0.04 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.91 1l3n s ALA 123 CO 0.17 -0.07 1.10 0.16 0.00 0.00 0.00 175.76 177.12 1l3n s ASP 124 N -0.77 4.92 0.00 0.00 -4.77 -1.26 -4.07 116.67 110.72 1l3n s ASP 124 Ca 0.45 1.22 0.22 0.00 -3.30 0.00 0.00 52.55 51.13 1l3n s ASP 124 Cb -0.30 -1.97 1.01 0.00 -1.09 0.00 0.00 42.92 40.57 1l3n s ASP 124 CO 0.37 -1.68 1.71 -0.67 0.70 0.00 0.00 175.17 175.59 1l3n n ASP 125 N -3.24 0.00 -4.20 2.11 2.03 -1.26 -4.75 116.55 107.24 1l3n n ASP 125 Ca 0.07 0.27 -0.35 0.00 0.52 0.00 0.00 54.79 55.30 1l3n n ASP 125 Cb 0.57 -0.41 -0.03 0.00 -0.72 0.00 0.00 41.12 40.53 1l3n n ASP 125 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1l3n n LEU 126 N -1.41 -1.74 -0.62 -2.67 4.77 -1.26 -1.59 117.00 112.48 1l3n n LEU 126 Ca 0.08 -1.01 -0.08 0.00 -0.03 0.00 0.00 56.01 54.96 1l3n n LEU 126 Cb 0.22 -2.09 -0.03 0.00 -2.33 0.00 0.00 43.42 39.18 1l3n n LEU 126 CO 0.19 0.31 -0.08 0.61 -1.33 0.00 0.00 177.39 177.09 1l3n n GLY 127 N -1.47 1.00 0.03 -0.72 0.00 -0.31 -4.45 105.19 99.27 1l3n n GLY 127 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.71 0.86 -2.01 1.61 5.02 -0.62 -4.80 118.16 115.50 1l3n n LYS 128 Ca -0.08 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.15 1l3n n LYS 128 Cb 0.27 -1.03 -0.00 0.00 -0.02 0.00 0.00 35.03 34.25 1l3n n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1l3n n GLY 129 N 0.34 0.21 0.42 0.72 0.00 -1.26 -4.89 105.19 100.72 1l3n n GLY 129 Ca 0.00 -0.67 0.24 0.00 0.00 0.00 0.00 46.02 45.59 1l3n n GLY 129 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1l3n h GLY 130 N 0.00 0.00 0.00 -0.02 0.00 -1.91 -3.46 103.07 97.67 1l3n h GLY 130 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1l3n h GLY 130 CO 0.16 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.86 1l3n n ASN 131 N -4.33 0.00 -0.33 0.19 0.23 -1.26 -4.97 115.26 104.80 1l3n n ASN 131 Ca 0.13 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.32 1l3n n ASN 131 Cb 0.75 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.77 1l3n n ASN 131 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1l3n h GLU 132 N 0.00 0.55 0.00 -3.83 3.07 -1.94 0.15 114.58 112.58 1l3n h GLU 132 Ca 0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1l3n h GLU 132 Cb 0.00 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 27.78 1l3n h GLU 132 CO 0.00 0.36 -0.09 1.49 -1.40 0.00 0.00 179.01 179.37 1l3n h GLU 133 N 0.57 0.00 -0.88 2.33 4.57 -1.95 -2.38 114.58 116.83 1l3n h GLU 133 Ca 0.57 0.00 0.24 0.00 -1.18 0.00 0.00 59.36 58.99 1l3n h GLU 133 Cb 1.01 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.46 1l3n h GLU 133 CO -0.46 0.09 0.23 0.77 -1.18 0.00 0.00 179.01 178.46 1l3n h SER 134 N 0.00 -0.02 0.08 1.04 0.02 0.32 0.20 113.55 115.18 1l3n h SER 134 Ca -0.00 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1l3n h SER 134 Cb 0.29 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1l3n h SER 134 CO 0.01 -0.17 -0.03 1.07 -1.14 0.00 0.00 176.83 176.58 1l3n n THR 135 N -5.24 0.00 0.00 -2.27 5.66 -0.89 -2.86 114.28 108.68 1l3n n THR 135 Ca 0.21 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1l3n n THR 135 Cb 0.69 -0.04 0.00 0.00 -1.55 0.00 0.00 70.33 69.43 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 -0.56 0.00 -0.49 1.09 5.02 0.17 -1.11 118.16 122.27 1l3n n LYS 136 Ca 0.20 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.56 1l3n n LYS 136 Cb 0.24 -0.02 0.17 0.00 -0.02 0.00 0.00 35.03 35.40 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 -1.96 1.94 0.00 -0.18 -2.24 -0.76 -4.57 114.28 106.50 1l3n n THR 137 Ca 0.00 -2.76 0.00 0.00 -2.27 0.00 0.00 64.05 59.02 1l3n n THR 137 Cb 0.00 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.10 1.51 1.78 3.38 0.00 0.45 -2.34 105.19 108.86 1l3n n GLY 138 Ca 0.17 0.22 -0.01 0.00 0.00 0.00 0.00 46.02 46.40 1l3n n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1l3n n ASN 139 N 5.31 -0.47 0.18 1.61 2.85 -1.26 -1.60 115.26 121.88 1l3n n ASN 139 Ca 0.00 -1.34 0.14 0.00 -0.11 0.00 0.00 54.58 53.27 1l3n n ASN 139 Cb 0.00 0.22 0.54 0.00 1.24 0.00 0.00 39.78 41.77 1l3n n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1l3n h ALA 140 N 0.30 1.00 -0.42 5.20 0.00 -1.61 -3.41 119.26 120.32 1l3n h ALA 140 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1l3n h ALA 140 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1l3n h ALA 140 CO -0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.59 1l3n n GLY 141 N 0.16 -0.95 3.65 0.00 0.00 -1.26 -0.36 105.19 106.43 1l3n n GLY 141 Ca 0.02 -1.19 -0.50 0.00 0.00 0.00 0.00 46.02 44.35 1l3n n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1l3n n SER 142 N -0.82 2.58 -3.85 1.61 7.64 -1.26 -4.48 113.62 115.04 1l3n n SER 142 Ca 0.00 1.07 -0.38 0.00 1.01 0.00 0.00 58.87 60.58 1l3n n SER 142 Cb 0.00 -1.30 -0.09 0.00 -1.01 0.00 0.00 64.21 61.81 1l3n n SER 142 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1l3n n ARG 143 N 3.99 0.71 -0.28 1.43 1.74 -1.26 -0.44 116.66 122.56 1l3n n ARG 143 Ca 0.20 -1.58 0.20 0.00 -0.77 0.00 0.00 57.85 55.90 1l3n n ARG 143 Cb 0.23 -3.02 0.50 0.00 -1.02 0.00 0.00 32.46 29.15 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 17.33 0.45 -7.49 0.55 3.38 -1.69 -3.43 115.31 124.41 1l3n h LEU 144 Ca 0.27 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.20 1l3n h LEU 144 Cb 0.77 -0.02 -0.17 0.00 0.09 0.00 0.00 40.66 41.32 1l3n h LEU 144 CO 1.75 0.15 -0.20 0.00 0.09 0.00 0.00 178.44 180.24 1l3n s ALA 145 N -5.47 -0.80 0.03 1.53 0.00 -0.98 -0.43 121.76 115.62 1l3n s ALA 145 Ca -0.09 0.14 -0.19 0.00 0.00 0.00 0.00 51.96 51.82 1l3n s ALA 145 Cb 0.24 0.31 0.04 0.00 0.00 0.00 0.00 23.12 23.70 1l3n s ALA 145 CO 0.79 -0.42 0.42 0.00 0.00 0.00 0.00 175.76 176.55 1l3n s GLY 147 N -1.85 -0.58 -0.23 0.00 0.00 -0.06 -0.96 107.32 103.64 1l3n s GLY 147 Ca -0.07 1.02 -0.10 0.00 0.00 0.00 0.00 44.72 45.58 1l3n s GLY 147 CO -0.00 0.68 0.13 0.14 0.00 0.00 0.00 173.10 174.04 1l3n s VAL 148 N -2.05 5.15 0.91 1.40 1.01 -1.26 -0.55 120.40 125.00 1l3n s VAL 148 Ca -0.07 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 1l3n s VAL 148 Cb -0.00 -3.39 0.14 0.00 0.00 0.00 0.00 36.38 33.13 1l3n s VAL 148 CO 0.02 0.36 1.09 -0.63 0.00 0.00 0.00 175.10 175.95 1l3n s ILE 149 N 1.00 2.59 -0.04 2.22 1.01 -1.00 -4.63 121.20 122.34 1l3n s ILE 149 Ca 0.07 0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.60 1l3n s ILE 149 Cb -0.13 -2.62 0.07 0.00 0.01 0.00 0.00 42.46 39.79 1l3n s ILE 149 CO 0.04 -0.25 0.69 -0.83 0.00 0.00 0.00 174.94 174.59 1l3n s GLY 150 N -3.31 -0.57 0.34 6.18 0.00 -1.17 -4.58 107.32 104.22 1l3n s GLY 150 Ca 0.64 1.31 -0.27 0.00 0.00 0.00 0.00 44.72 46.39 1l3n s GLY 150 CO 0.57 0.91 1.18 -0.42 0.00 0.00 0.00 173.10 175.35 1l3n s ILE 151 N -1.35 3.16 -0.06 0.90 1.01 -1.26 -2.23 121.20 121.37 1l3n s ILE 151 Ca -0.10 1.09 -0.02 0.00 0.00 0.00 0.00 60.65 61.62 1l3n s ILE 151 Cb -0.00 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 1l3n s ILE 151 CO 0.08 0.20 -0.07 0.00 0.00 0.00 0.00 174.94 175.15 1l3n n ALA 152 N 0.63 2.34 -0.80 9.38 0.00 -0.03 -4.82 120.51 127.21 1l3n n ALA 152 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1l3n n ALA 152 Cb 0.45 0.40 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1l3n n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44