#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 -3.79 0.00 5.66 -1.26 -4.18 114.28 110.71 1l3n n THR 2 Ca 0.00 -0.08 -0.10 0.00 -3.05 0.00 0.00 64.05 60.81 1l3n n THR 2 Cb 0.00 0.32 -0.07 0.00 -1.55 0.00 0.00 70.33 69.03 1l3n n THR 2 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1l3n s LYS 3 N -2.68 0.82 0.07 1.09 0.00 -1.26 -0.09 119.74 117.70 1l3n s LYS 3 Ca 0.20 -0.66 -0.20 0.00 0.00 0.00 0.00 55.97 55.30 1l3n s LYS 3 Cb 0.19 0.35 0.05 0.00 0.00 0.00 0.00 37.83 38.41 1l3n s LYS 3 CO 0.58 -0.27 0.48 0.00 0.00 0.00 0.00 175.35 176.14 1l3n s ALA 4 N -3.01 -1.20 0.21 0.59 0.00 -0.09 -2.19 121.76 116.07 1l3n s ALA 4 Ca -0.02 0.39 0.07 0.00 0.00 0.00 0.00 51.96 52.41 1l3n s ALA 4 Cb 0.01 0.48 -0.05 0.00 0.00 0.00 0.00 23.12 23.56 1l3n s ALA 4 CO -0.06 -0.54 -0.13 0.14 0.00 0.00 0.00 175.76 175.16 1l3n s VAL 5 N -2.84 1.69 -0.22 0.00 -7.23 -0.77 -0.76 120.40 110.27 1l3n s VAL 5 Ca -0.03 -2.20 -0.02 0.00 -1.81 0.00 0.00 61.98 57.92 1l3n s VAL 5 Cb -0.00 -2.07 0.07 0.00 0.56 0.00 0.00 36.38 34.94 1l3n s VAL 5 CO -0.05 -0.58 0.05 0.00 -0.31 0.00 0.00 175.10 174.21 1l3n s ALA 6 N -3.00 1.09 -0.49 1.32 0.00 -0.48 -1.28 121.76 118.92 1l3n s ALA 6 Ca 0.23 -0.90 -0.26 0.00 0.00 0.00 0.00 51.96 51.03 1l3n s ALA 6 Cb -0.00 -1.27 0.03 0.00 0.00 0.00 0.00 23.12 21.88 1l3n s ALA 6 CO 0.07 -1.29 0.97 0.14 0.00 0.00 0.00 175.76 175.65 1l3n s VAL 7 N 1.82 4.40 0.12 0.00 -7.23 -1.26 -1.14 120.40 117.11 1l3n s VAL 7 Ca 0.01 0.73 -0.10 0.00 -1.81 0.00 0.00 61.98 60.82 1l3n s VAL 7 Cb -0.17 -4.49 -0.06 0.00 0.56 0.00 0.00 36.38 32.22 1l3n s VAL 7 CO -0.13 -0.94 0.44 -0.76 -0.31 0.00 0.00 175.10 173.41 1l3n s LEU 8 N 3.95 4.31 0.03 1.32 1.43 0.14 -4.25 118.68 125.62 1l3n s LEU 8 Ca 0.38 0.83 -0.27 0.00 -1.03 0.00 0.00 54.13 54.03 1l3n s LEU 8 Cb -0.10 -3.17 0.09 0.00 0.03 0.00 0.00 46.19 43.05 1l3n s LEU 8 CO 0.26 0.11 0.80 -0.54 0.23 0.00 0.00 176.35 177.21 1l3n s LYS 9 N -2.14 0.96 0.00 1.70 1.02 0.22 -0.30 119.74 121.19 1l3n s LYS 9 Ca 0.37 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.06 1l3n s LYS 9 Cb -0.13 0.44 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 1l3n s LYS 9 CO 0.20 -0.41 0.00 0.41 -0.92 0.00 0.00 175.35 174.63 1l3n n GLY 10 N -0.17 -0.45 0.16 -3.33 0.00 -1.26 -0.79 105.19 99.35 1l3n n GLY 10 Ca -0.12 0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 0.56 0.00 1.61 3.58 -1.67 -3.48 116.42 117.02 1l3n h ASP 11 Ca 0.00 -0.64 0.00 0.00 0.42 0.00 0.00 57.03 56.81 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 1.11 0.00 0.61 -2.88 0.00 0.00 179.24 178.08 1l3n n GLY 12 N 0.70 1.21 0.37 -0.78 0.00 -1.26 -4.90 105.19 100.53 1l3n n GLY 12 Ca -0.08 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.84 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 0.99 -6.08 1.61 0.13 -1.93 -3.41 132.00 123.31 1l3n h PRO 13 Ca 0.00 -0.06 -0.59 0.00 -0.87 0.00 0.00 66.00 64.48 1l3n h PRO 13 Cb 0.00 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 30.91 1l3n h PRO 13 CO 0.00 0.65 1.40 0.28 -0.23 0.00 0.00 178.00 180.11 1l3n n VAL 14 N -4.60 0.43 -3.81 1.56 0.31 -1.08 -4.13 118.33 107.01 1l3n n VAL 14 Ca 0.18 -0.35 -0.29 0.00 -0.01 0.00 0.00 64.34 63.88 1l3n n VAL 14 Cb 0.33 -2.36 -0.16 0.00 -0.91 0.00 0.00 33.84 30.74 1l3n n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1l3n s GLN 15 N 5.78 1.02 0.46 5.55 -2.07 -0.07 -4.03 119.66 126.32 1l3n s GLN 15 Ca 0.99 -0.69 -0.13 0.00 -1.82 0.00 0.00 55.36 53.71 1l3n s GLN 15 Cb -0.44 -2.29 -0.07 0.00 -1.09 0.00 0.00 33.01 29.12 1l3n s GLN 15 CO 0.40 -0.65 0.88 0.20 -1.32 0.00 0.00 175.29 174.79 1l3n s GLY 16 N 1.66 1.99 -0.41 2.60 0.00 0.59 -1.04 107.32 112.71 1l3n s GLY 16 Ca -0.02 -0.02 0.09 0.00 0.00 0.00 0.00 44.72 44.78 1l3n s GLY 16 CO -0.08 0.22 1.07 1.39 0.00 0.00 0.00 173.10 175.69 1l3n n ILE 17 N -1.47 0.08 -2.13 0.90 5.41 -1.12 -0.69 119.36 120.34 1l3n n ILE 17 Ca 0.04 -2.36 -0.38 0.00 1.00 0.00 0.00 62.75 61.05 1l3n n ILE 17 Cb 0.54 0.90 0.00 0.00 -0.71 0.00 0.00 39.64 40.37 1l3n n ILE 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1l3n s ILE 18 N -0.75 2.81 -0.28 1.39 1.10 -0.29 -3.92 121.20 121.27 1l3n s ILE 18 Ca 0.27 0.64 -0.03 0.00 -0.51 0.00 0.00 60.65 61.01 1l3n s ILE 18 Cb 0.35 -3.34 0.10 0.00 0.15 0.00 0.00 42.46 39.72 1l3n s ILE 18 CO -0.06 0.02 0.12 0.20 -2.11 0.00 0.00 174.94 173.11 1l3n s ASN 19 N -1.14 3.53 -0.20 4.50 0.01 0.67 -1.38 114.94 120.93 1l3n s ASN 19 Ca 0.63 -1.30 -0.10 0.00 -0.71 0.00 0.00 52.86 51.39 1l3n s ASN 19 Cb -0.33 -0.46 -0.05 0.00 0.41 0.00 0.00 41.25 40.82 1l3n s ASN 19 CO 0.40 -0.42 0.12 -0.36 -1.51 0.00 0.00 177.10 175.33 1l3n s PHE 20 N 1.99 3.38 0.10 2.20 0.08 0.06 -2.10 117.98 123.69 1l3n s PHE 20 Ca 0.08 0.29 0.06 0.00 0.12 0.00 0.00 56.93 57.48 1l3n s PHE 20 Cb -0.16 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 40.10 1l3n s PHE 20 CO -0.31 0.26 -0.15 -2.00 -0.10 0.00 0.00 175.22 172.92 1l3n s GLU 21 N 0.40 0.95 -0.19 0.44 2.12 -1.23 -0.91 118.70 120.29 1l3n s GLU 21 Ca 0.07 -1.12 0.00 0.00 0.36 0.00 0.00 54.97 54.29 1l3n s GLU 21 Cb -0.11 -0.93 0.04 0.00 0.26 0.00 0.00 34.13 33.39 1l3n s GLU 21 CO -0.01 0.20 -0.09 -0.65 -0.54 0.00 0.00 175.26 174.17 1l3n s GLN 22 N -2.21 1.84 0.05 4.30 -1.52 0.87 -3.50 119.66 119.50 1l3n s GLN 22 Ca 0.04 -0.75 -0.35 0.00 -1.95 0.00 0.00 55.36 52.36 1l3n s GLN 22 Cb -0.08 -2.30 -0.19 0.00 -0.22 0.00 0.00 33.01 30.22 1l3n s GLN 22 CO 0.03 -0.43 1.45 0.87 -0.25 0.00 0.00 175.29 176.96 1l3n h LYS 23 N 8.02 -1.20 -5.40 2.91 1.79 -1.89 -3.45 116.57 117.35 1l3n h LYS 23 Ca -0.26 0.08 -0.48 0.00 -2.18 0.00 0.00 60.65 57.81 1l3n h LYS 23 Cb 1.10 0.27 -0.14 0.00 -1.58 0.00 0.00 32.23 31.88 1l3n h LYS 23 CO 0.45 -0.80 -0.66 -1.21 -1.08 0.00 0.00 179.45 176.15 1l3n s GLU 24 N -5.62 1.54 0.05 3.15 2.02 -1.26 -5.01 118.70 113.57 1l3n s GLU 24 Ca -0.18 -1.80 0.21 0.00 0.02 0.00 0.00 54.97 53.22 1l3n s GLU 24 Cb 0.02 -1.04 0.86 0.00 0.10 0.00 0.00 34.13 34.07 1l3n s GLU 24 CO 0.55 -0.02 1.65 0.45 0.02 0.00 0.00 175.26 177.90 1l3n n SER 25 N -0.58 0.15 0.22 -0.19 2.88 -1.26 -1.08 113.62 113.75 1l3n n SER 25 Ca -0.05 0.53 0.13 0.00 -1.33 0.00 0.00 58.87 58.15 1l3n n SER 25 Cb 0.64 -0.56 0.26 0.00 -0.75 0.00 0.00 64.21 63.80 1l3n n SER 25 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1l3n h ASN 26 N 0.00 0.00 -4.09 -3.46 4.21 -2.00 -3.45 115.58 106.79 1l3n h ASN 26 Ca 0.00 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 57.04 1l3n h ASN 26 Cb 0.37 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.60 1l3n h ASN 26 CO 0.00 0.00 0.38 -0.83 -1.29 0.00 0.00 177.43 175.69 1l3n s GLY 27 N -4.16 2.45 0.44 2.83 0.00 -0.24 -5.05 107.32 103.58 1l3n s GLY 27 Ca 0.06 0.57 -0.22 0.00 0.00 0.00 0.00 44.72 45.14 1l3n s GLY 27 CO 0.64 0.89 1.02 2.56 0.00 0.00 0.00 173.10 178.22 1l3n s PRO 28 N -3.37 4.02 -0.68 2.90 0.04 -1.26 -4.89 135.00 131.76 1l3n s PRO 28 Ca 0.67 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.80 1l3n s PRO 28 Cb -0.16 -2.28 0.01 0.00 0.04 0.00 0.00 34.50 32.11 1l3n s PRO 28 CO 0.23 -0.24 1.55 0.08 0.04 0.00 0.00 177.00 178.66 1l3n s VAL 29 N -1.90 3.55 -0.77 -0.36 1.01 0.13 -4.77 120.40 117.28 1l3n s VAL 29 Ca 0.63 0.32 -0.25 0.00 0.00 0.00 0.00 61.98 62.67 1l3n s VAL 29 Cb -0.17 -4.46 -0.05 0.00 0.00 0.00 0.00 36.38 31.71 1l3n s VAL 29 CO 0.21 -1.41 1.98 -0.54 0.00 0.00 0.00 175.10 175.34 1l3n s LYS 30 N 6.33 2.47 -1.55 2.72 1.02 -1.23 -0.80 119.74 128.71 1l3n s LYS 30 Ca 0.50 0.16 -0.09 0.00 0.02 0.00 0.00 55.97 56.56 1l3n s LYS 30 Cb -0.10 -4.79 -0.05 0.00 -0.52 0.00 0.00 37.83 32.37 1l3n s LYS 30 CO 0.18 -3.25 2.86 1.33 -0.92 0.00 0.00 175.35 175.55 1l3n n VAL 31 N 7.74 4.50 -2.07 3.17 0.24 0.74 -3.48 118.33 129.17 1l3n n VAL 31 Ca 0.34 -2.92 -0.28 0.00 -2.04 0.00 0.00 64.34 59.44 1l3n n VAL 31 Cb 0.49 -2.50 0.13 0.00 -1.47 0.00 0.00 33.84 30.48 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 1.49 2.22 -5.00 6.34 -2.14 -0.89 -4.28 118.94 116.67 1l3n s TRP 32 Ca 0.67 0.37 0.00 0.00 2.66 0.00 0.00 56.10 59.80 1l3n s TRP 32 Cb 0.18 -3.62 0.00 0.00 -3.10 0.00 0.00 33.47 26.93 1l3n s TRP 32 CO -0.07 -2.05 0.00 0.41 -2.66 0.00 0.00 176.95 172.59 1l3n n GLY 33 N -3.35 0.08 3.46 3.67 0.00 0.47 -0.24 105.19 109.29 1l3n n GLY 33 Ca 0.12 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.72 0.07 1.61 0.01 -1.25 -0.57 113.70 108.84 1l3n s SER 34 Ca 0.00 1.25 -0.12 0.00 1.31 0.00 0.00 55.95 58.39 1l3n s SER 34 Cb 0.00 1.48 -0.06 0.00 0.21 0.00 0.00 66.02 67.65 1l3n s SER 34 CO 0.00 -0.22 0.43 0.27 0.41 0.00 0.00 173.24 174.13 1l3n s ILE 35 N 2.17 5.02 -0.08 1.44 -4.36 -0.16 -2.81 121.20 122.42 1l3n s ILE 35 Ca -0.07 0.65 -0.01 0.00 -0.26 0.00 0.00 60.65 60.96 1l3n s ILE 35 Cb -0.09 -3.69 0.03 0.00 1.25 0.00 0.00 42.46 39.96 1l3n s ILE 35 CO -0.16 0.37 0.00 -1.59 0.24 0.00 0.00 174.94 173.80 1l3n s LYS 36 N -1.66 0.66 0.00 0.37 0.00 -0.21 -0.54 119.74 118.35 1l3n s LYS 36 Ca 0.31 0.04 0.00 0.00 0.00 0.00 0.00 55.97 56.33 1l3n s LYS 36 Cb -0.15 -1.11 0.00 0.00 0.00 0.00 0.00 37.83 36.57 1l3n s LYS 36 CO 0.17 -0.33 0.00 0.41 0.00 0.00 0.00 175.35 175.60 1l3n n GLY 37 N 5.13 0.42 4.02 0.59 0.00 0.21 -0.89 105.19 114.68 1l3n n GLY 37 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 1l3n n GLY 37 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1l3n s LEU 38 N 0.00 3.00 0.99 0.99 -0.00 -1.16 -2.63 118.68 119.87 1l3n s LEU 38 Ca 0.00 -0.74 -0.15 0.00 -0.00 0.00 0.00 54.13 53.24 1l3n s LEU 38 Cb 0.00 -1.61 0.19 0.00 -0.00 0.00 0.00 46.19 44.77 1l3n s LEU 38 CO 0.00 -1.63 1.19 0.28 -0.00 0.00 0.00 176.35 176.19 1l3n s THR 39 N -2.89 1.91 1.33 5.48 -1.32 -1.26 -3.77 115.64 115.12 1l3n s THR 39 Ca 0.65 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.92 1l3n s THR 39 Cb -0.05 -2.78 0.33 0.00 -1.51 0.00 0.00 72.50 68.50 1l3n s THR 39 CO 0.42 0.00 0.99 -0.70 -2.21 0.00 0.00 174.62 173.12 1l3n s GLU 40 N -5.51 -2.22 0.29 7.08 -6.30 -1.26 -4.67 118.70 106.11 1l3n s GLU 40 Ca 0.68 0.16 0.00 0.00 -2.50 0.00 0.00 54.97 53.31 1l3n s GLU 40 Cb -0.10 -1.46 0.00 0.00 0.00 0.00 0.00 34.13 32.57 1l3n s GLU 40 CO 0.54 -4.42 0.00 0.41 0.02 0.00 0.00 175.26 171.81 1l3n n GLY 41 N 0.64 -2.52 3.77 -1.50 0.00 -0.79 -4.77 105.19 100.03 1l3n n GLY 41 Ca 0.11 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 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 3.92 -0.05 0.99 2.01 -1.26 -0.37 118.68 123.92 1l3n s LEU 42 Ca 0.00 2.24 -0.06 0.00 0.01 0.00 0.00 54.13 56.32 1l3n s LEU 42 Cb 0.00 -4.37 0.01 0.00 0.01 0.00 0.00 46.19 41.84 1l3n s LEU 42 CO 0.00 -1.00 0.15 -1.00 1.01 0.00 0.00 176.35 175.51 1l3n s HIS 43 N -1.64 -0.13 -0.15 0.29 3.76 0.81 -2.70 115.29 115.54 1l3n s HIS 43 Ca 0.67 0.31 -0.17 0.00 -0.15 0.00 0.00 55.06 55.72 1l3n s HIS 43 Cb -0.26 0.04 -0.07 0.00 1.11 0.00 0.00 32.58 33.39 1l3n s HIS 43 CO 0.31 -0.12 0.56 0.41 -0.85 0.00 0.00 174.74 175.05 1l3n n GLY 44 N 2.70 0.03 2.95 -2.22 0.00 0.19 -2.01 105.19 106.83 1l3n n GLY 44 Ca -0.14 0.36 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 0.88 -0.99 0.27 1.61 2.19 -1.26 -2.03 117.98 118.64 1l3n s PHE 45 Ca 0.38 0.81 -0.05 0.00 0.33 0.00 0.00 56.93 58.40 1l3n s PHE 45 Cb -0.54 0.04 -0.02 0.00 -1.31 0.00 0.00 43.02 41.20 1l3n s PHE 45 CO 0.29 -0.82 0.36 -1.01 1.83 0.00 0.00 175.22 175.86 1l3n s HIS 46 N 2.59 0.91 -0.13 10.12 3.76 -1.24 -1.40 115.29 129.90 1l3n s HIS 46 Ca 0.13 -1.16 -0.10 0.00 -0.15 0.00 0.00 55.06 53.78 1l3n s HIS 46 Cb -0.14 -0.18 -0.25 0.00 1.11 0.00 0.00 32.58 33.11 1l3n s HIS 46 CO -0.21 -0.92 0.35 0.28 -0.85 0.00 0.00 174.74 173.40 1l3n h VAL 47 N 2.31 0.69 -3.45 -0.90 2.07 -1.65 -3.08 116.25 112.25 1l3n h VAL 47 Ca -0.30 -2.32 0.25 0.00 0.82 0.00 0.00 66.70 65.16 1l3n h VAL 47 Cb 1.25 2.46 -0.14 0.00 -1.52 0.00 0.00 31.29 33.34 1l3n h VAL 47 CO 0.42 0.79 -1.17 1.41 0.02 0.00 0.00 177.57 179.03 1l3n n HIS 48 N -3.68 -3.85 0.09 1.57 8.25 -1.26 -2.93 115.22 113.41 1l3n n HIS 48 Ca -0.32 2.12 -0.04 0.00 -0.26 0.00 0.00 57.72 59.22 1l3n n HIS 48 Cb 0.98 -3.44 -0.02 0.00 1.12 0.00 0.00 29.99 28.63 1l3n n HIS 48 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1l3n h GLU 49 N -1.00 -0.25 -7.06 -0.41 4.81 -1.73 -3.39 114.58 105.54 1l3n h GLU 49 Ca -0.15 0.02 -0.45 0.00 -0.13 0.00 0.00 59.36 58.64 1l3n h GLU 49 Cb 1.24 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 1l3n h GLU 49 CO 0.06 -0.17 0.36 -0.06 -0.73 0.00 0.00 179.01 178.47 1l3n s PHE 50 N -2.48 3.19 -0.87 0.92 0.08 -1.26 -4.62 117.98 112.94 1l3n s PHE 50 Ca -0.04 1.60 0.22 0.00 0.12 0.00 0.00 56.93 58.84 1l3n s PHE 50 Cb 0.00 -2.95 0.01 0.00 -0.57 0.00 0.00 43.02 39.52 1l3n s PHE 50 CO 0.11 -0.41 1.04 0.41 -0.10 0.00 0.00 175.22 176.27 1l3n n GLY 51 N -0.42 -1.11 3.39 4.36 0.00 -0.95 -1.27 105.19 109.19 1l3n n GLY 51 Ca 0.08 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 1l3n n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1l3n n ASP 52 N -1.64 -2.16 -1.13 1.61 5.75 -1.26 -4.68 116.55 113.03 1l3n n ASP 52 Ca 0.04 0.40 -0.02 0.00 -0.01 0.00 0.00 54.79 55.19 1l3n n ASP 52 Cb 0.37 -1.17 -0.03 0.00 -1.03 0.00 0.00 41.12 39.26 1l3n n ASP 52 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1l3n n ASN 53 N -0.58 -0.10 0.22 -1.12 2.85 -1.26 -4.79 115.26 110.48 1l3n n ASN 53 Ca 0.07 -1.93 0.11 0.00 -0.11 0.00 0.00 54.58 52.71 1l3n n ASN 53 Cb 0.53 0.02 0.67 0.00 1.24 0.00 0.00 39.78 42.24 1l3n n ASN 53 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1l3n h THR 54 N 5.88 0.92 0.00 -0.44 1.35 -1.98 0.18 112.91 118.82 1l3n h THR 54 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1l3n h THR 54 Cb 1.57 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1l3n h THR 54 CO -0.10 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.17 1l3n h ALA 55 N 1.95 1.00 -3.97 6.62 0.00 -1.92 -3.49 119.26 119.46 1l3n h ALA 55 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1l3n h ALA 55 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1l3n h ALA 55 CO -0.00 0.00 -0.26 0.41 0.00 0.00 0.00 179.25 179.40 1l3n n GLY 56 N 0.64 -1.48 3.94 0.00 0.00 0.62 -4.33 105.19 104.57 1l3n n GLY 56 Ca 0.03 0.39 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.71 0.15 -2.38 0.00 -1.04 -1.26 -4.57 114.28 101.47 1l3n n THR 58 Ca -0.10 0.05 -0.18 0.00 -2.04 0.00 0.00 64.05 61.78 1l3n n THR 58 Cb 0.40 -0.71 0.02 0.00 -1.82 0.00 0.00 70.33 68.22 1l3n n THR 58 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1l3n n SER 59 N -3.17 3.80 -3.46 8.00 2.88 -1.26 -4.93 113.62 115.48 1l3n n SER 59 Ca 0.00 -3.28 -0.36 0.00 -1.33 0.00 0.00 58.87 53.90 1l3n n SER 59 Cb 0.04 -0.42 -0.03 0.00 -0.75 0.00 0.00 64.21 63.05 1l3n n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1l3n n ALA 60 N -0.55 5.08 -2.75 -1.46 0.00 -1.26 -4.72 120.51 114.85 1l3n n ALA 60 Ca 0.31 -3.11 -0.01 0.00 0.00 0.00 0.00 53.44 50.63 1l3n n ALA 60 Cb 0.84 -3.38 -0.01 0.00 0.00 0.00 0.00 19.45 16.90 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 4.02 -4.00 2.85 0.00 0.00 -1.26 -4.39 105.19 102.40 1l3n n GLY 61 Ca 0.55 0.75 -0.40 0.00 0.00 0.00 0.00 46.02 46.91 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 1.08 2.21 -2.53 1.61 -0.04 -1.26 -2.92 135.00 133.15 1l3n n PRO 62 Ca -0.11 -2.08 -0.04 0.00 -0.04 0.00 0.00 63.50 61.23 1l3n n PRO 62 Cb 0.21 -2.98 0.01 0.00 -0.04 0.00 0.00 33.50 30.70 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 6.30 -2.46 0.00 0.54 8.25 -1.26 -4.86 115.22 121.73 1l3n n HIS 63 Ca 0.52 0.98 0.00 0.00 -0.26 0.00 0.00 57.72 58.96 1l3n n HIS 63 Cb 0.35 -3.41 0.00 0.00 1.12 0.00 0.00 29.99 28.05 1l3n n HIS 63 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1l3n n PHE 64 N -0.70 0.00 -0.15 4.41 -1.74 -1.26 -4.83 117.46 113.18 1l3n n PHE 64 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.95 1l3n n PHE 64 Cb 0.38 -0.43 0.00 0.00 1.52 0.00 0.00 39.48 40.96 1l3n n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1l3n n ASN 65 N -3.55 0.00 -0.04 5.98 5.15 -1.26 -4.84 115.26 116.69 1l3n n ASN 65 Ca 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.94 1l3n n ASN 65 Cb 0.00 0.00 0.18 0.00 -0.53 0.00 0.00 39.78 39.43 1l3n n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1l3n h PRO 66 N 0.15 0.64 -3.96 1.20 0.13 -1.98 -3.18 132.00 125.00 1l3n h PRO 66 Ca 0.00 -0.21 -0.61 0.00 -0.87 0.00 0.00 66.00 64.31 1l3n h PRO 66 Cb 0.00 -0.05 0.02 0.00 0.13 0.00 0.00 31.00 31.09 1l3n h PRO 66 CO 0.00 0.76 2.77 -0.11 -0.23 0.00 0.00 178.00 181.19 1l3n n LEU 67 N -4.16 5.53 -2.64 1.56 0.00 -1.26 -4.89 117.00 111.14 1l3n n LEU 67 Ca 0.01 -3.39 -0.27 0.00 0.00 0.00 0.00 56.01 52.36 1l3n n LEU 67 Cb 0.36 -1.30 -0.09 0.00 0.00 0.00 0.00 43.42 42.39 1l3n n LEU 67 CO 0.42 0.51 1.26 -0.24 0.00 0.00 0.00 177.39 179.35 1l3n n SER 68 N 5.97 0.23 -4.39 1.96 2.88 -1.20 -4.91 113.62 114.16 1l3n n SER 68 Ca 0.52 0.17 -0.19 0.00 -1.33 0.00 0.00 58.87 58.04 1l3n n SER 68 Cb 0.32 -0.54 -0.10 0.00 -0.75 0.00 0.00 64.21 63.13 1l3n n SER 68 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1l3n s ARG 69 N 4.98 1.54 -0.20 -1.46 0.52 -1.26 -5.12 118.95 117.95 1l3n s ARG 69 Ca 0.79 -1.84 -0.20 0.00 -0.52 0.00 0.00 55.73 53.95 1l3n s ARG 69 Cb -0.78 -0.58 -0.03 0.00 0.52 0.00 0.00 34.95 34.08 1l3n s ARG 69 CO 0.31 -0.24 0.60 0.15 0.02 0.00 0.00 175.30 176.14 1l3n s LYS 70 N -3.96 4.20 -0.38 3.54 -0.14 -1.20 -4.92 119.74 116.87 1l3n s LYS 70 Ca 0.37 0.56 -0.17 0.00 -1.36 0.00 0.00 55.97 55.37 1l3n s LYS 70 Cb 0.08 -3.58 -0.10 0.00 -1.68 0.00 0.00 37.83 32.56 1l3n s LYS 70 CO 0.15 -0.23 1.18 1.58 -0.76 0.00 0.00 175.35 177.27 1l3n n HIS 71 N 5.02 0.38 -4.02 3.18 -0.00 -0.22 -3.94 115.22 115.63 1l3n n HIS 71 Ca -0.02 0.26 -0.01 0.00 -0.00 0.00 0.00 57.72 57.95 1l3n n HIS 71 Cb 0.50 -1.12 -0.00 0.00 -0.00 0.00 0.00 29.99 29.37 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 3.30 4.08 0.00 1.57 0.00 -1.25 -1.64 105.19 111.25 1l3n n GLY 72 Ca 0.29 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 2.30 4.98 0.00 -0.02 0.00 -1.26 -4.14 105.19 107.06 1l3n n GLY 73 Ca -0.00 -1.68 0.01 0.00 0.00 0.00 0.00 46.02 44.35 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 0.36 -0.01 1.61 -0.04 -1.26 -0.26 135.00 135.40 1l3n n PRO 74 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1l3n n PRO 74 Cb 0.00 -1.13 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 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 -5.82 0.54 1.79 -1.95 -3.49 116.57 107.65 1l3n h LYS 75 Ca 0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 1l3n h LYS 75 Cb 0.00 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.59 1l3n h LYS 75 CO 0.00 0.47 -0.35 -0.51 -1.08 0.00 0.00 179.45 177.97 1l3n s ASP 76 N -6.05 4.55 -0.00 0.86 1.01 0.63 -5.05 116.67 112.62 1l3n s ASP 76 Ca -0.04 -1.29 0.10 0.00 0.71 0.00 0.00 52.55 52.03 1l3n s ASP 76 Cb 0.08 0.34 -0.12 0.00 1.01 0.00 0.00 42.92 44.24 1l3n s ASP 76 CO 0.82 -1.01 0.36 1.21 0.21 0.00 0.00 175.17 176.76 1l3n n GLU 77 N -1.64 3.02 0.00 8.23 0.00 -1.26 -4.55 120.64 124.44 1l3n n GLU 77 Ca -0.04 -0.02 0.14 0.00 0.00 0.00 0.00 57.16 57.24 1l3n n GLU 77 Cb 0.65 -1.02 0.64 0.00 0.00 0.00 0.00 31.44 31.71 1l3n n GLU 77 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1l3n n GLU 78 N -1.37 1.36 -1.19 5.31 0.00 -1.26 -4.91 120.64 118.58 1l3n n GLU 78 Ca 0.01 -0.62 -0.42 0.00 0.00 0.00 0.00 57.16 56.13 1l3n n GLU 78 Cb 0.17 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.09 1l3n n GLU 78 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1l3n n ARG 79 N -0.28 0.00 -1.49 3.44 1.85 -1.25 -3.26 116.66 115.67 1l3n n ARG 79 Ca 0.20 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.65 1l3n n ARG 79 Cb 0.28 -0.92 -0.02 0.00 -1.05 0.00 0.00 32.46 30.75 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 0.24 2.54 -1.67 2.89 8.25 -1.26 -4.78 115.22 121.42 1l3n n HIS 80 Ca 0.15 -3.03 0.00 0.00 -0.26 0.00 0.00 57.72 54.58 1l3n n HIS 80 Cb 0.18 -2.37 0.00 0.00 1.12 0.00 0.00 29.99 28.93 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 3.32 0.00 0.00 1.59 3.14 -1.26 -3.89 118.33 121.23 1l3n n VAL 81 Ca 0.73 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 62.11 1l3n n VAL 81 Cb 0.25 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.03 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 -0.39 0.08 2.78 7.55 0.00 -1.26 -4.95 105.19 108.99 1l3n n GLY 82 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1l3n n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1l3n s ASP 83 N -0.02 3.56 0.16 1.61 -1.08 -1.25 -1.90 116.67 117.76 1l3n s ASP 83 Ca 0.00 -1.23 0.25 0.00 -0.52 0.00 0.00 52.55 51.04 1l3n s ASP 83 Cb 0.00 -0.82 0.91 0.00 -1.46 0.00 0.00 42.92 41.55 1l3n s ASP 83 CO 0.00 -0.34 1.75 0.18 0.52 0.00 0.00 175.17 177.28 1l3n n LEU 84 N 4.89 0.53 0.00 -1.34 7.99 -0.49 -4.11 117.00 124.46 1l3n n LEU 84 Ca -0.07 0.58 0.00 0.00 -0.01 0.00 0.00 56.01 56.51 1l3n n LEU 84 Cb 0.44 -0.45 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1l3n n LEU 84 CO 0.13 -0.27 0.00 0.61 -1.51 0.00 0.00 177.39 176.35 1l3n n GLY 85 N 0.81 1.00 3.38 -0.72 0.00 -1.26 -4.58 105.19 103.82 1l3n n GLY 85 Ca 0.05 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.43 -0.05 1.61 0.02 -1.26 -4.48 114.94 106.35 1l3n s ASN 86 Ca 0.00 0.35 0.06 0.00 -1.02 0.00 0.00 52.86 52.25 1l3n s ASN 86 Cb 0.00 0.44 -0.01 0.00 0.02 0.00 0.00 41.25 41.70 1l3n s ASN 86 CO 0.00 -0.57 -0.24 0.68 0.02 0.00 0.00 177.10 176.99 1l3n s VAL 87 N -1.52 1.95 -0.27 1.60 -7.23 -0.85 -4.88 120.40 109.21 1l3n s VAL 87 Ca -0.11 -1.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.83 1l3n s VAL 87 Cb -0.02 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.26 1l3n s VAL 87 CO 0.05 0.55 0.70 -0.89 -0.31 0.00 0.00 175.10 175.20 1l3n s THR 88 N -0.16 4.91 -0.16 5.32 2.01 -1.26 -0.13 115.64 126.16 1l3n s THR 88 Ca -0.03 1.21 -0.10 0.00 0.31 0.00 0.00 61.69 63.08 1l3n s THR 88 Cb -0.13 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1l3n s THR 88 CO 0.03 -0.06 0.17 0.00 -0.69 0.00 0.00 174.62 174.06 1l3n s ALA 89 N 2.67 3.73 1.18 7.40 0.00 0.50 -4.11 121.76 133.14 1l3n s ALA 89 Ca 0.29 -0.62 -0.13 0.00 0.00 0.00 0.00 51.96 51.50 1l3n s ALA 89 Cb -0.15 -2.15 0.29 0.00 0.00 0.00 0.00 23.12 21.11 1l3n s ALA 89 CO 0.09 0.30 1.02 0.34 0.00 0.00 0.00 175.76 177.52 1l3n s ASP 90 N -0.10 0.86 0.62 0.00 2.15 0.35 -1.88 116.67 118.67 1l3n s ASP 90 Ca 0.12 1.50 0.31 0.00 0.43 0.00 0.00 52.55 54.91 1l3n s ASP 90 Cb -0.12 -2.30 1.67 0.00 -0.30 0.00 0.00 42.92 41.88 1l3n s ASP 90 CO 0.01 -4.27 2.01 0.07 -0.17 0.00 0.00 175.17 172.82 1l3n h LYS 91 N -2.67 0.00 0.00 4.34 5.09 -1.94 0.18 116.57 121.57 1l3n h LYS 91 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.12 1l3n h LYS 91 Cb 1.34 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.67 1l3n h LYS 91 CO 0.50 0.00 0.00 0.22 -2.09 0.00 0.00 179.45 178.08 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 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1l3n h ASP 92 Cb 0.68 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.73 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 0.52 0.64 3.53 -0.78 0.00 0.62 -4.44 105.19 105.29 1l3n n GLY 93 Ca 0.03 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.00 4.81 -0.27 1.61 1.01 -1.25 -0.62 120.40 123.68 1l3n s VAL 94 Ca 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 1l3n s VAL 94 Cb 0.00 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.17 1l3n s VAL 94 CO 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 175.10 174.53 1l3n s ALA 95 N 2.88 2.95 -0.15 5.51 0.00 0.30 -0.49 121.76 132.75 1l3n s ALA 95 Ca 0.24 -1.39 -0.29 0.00 0.00 0.00 0.00 51.96 50.51 1l3n s ALA 95 Cb -0.14 -1.98 -0.00 0.00 0.00 0.00 0.00 23.12 21.00 1l3n s ALA 95 CO 0.19 -0.80 1.03 0.16 0.00 0.00 0.00 175.76 176.34 1l3n s ASP 96 N 1.46 7.18 -0.17 0.00 -4.77 -1.26 -0.98 116.67 118.14 1l3n s ASP 96 Ca 0.03 1.48 -0.04 0.00 -3.30 0.00 0.00 52.55 50.71 1l3n s ASP 96 Cb -0.16 -2.55 -0.03 0.00 -1.09 0.00 0.00 42.92 39.09 1l3n s ASP 96 CO 0.00 -0.54 -0.02 -0.69 0.70 0.00 0.00 175.17 174.62 1l3n s VAL 97 N 2.51 4.00 -0.45 2.11 1.01 0.26 -4.73 120.40 125.10 1l3n s VAL 97 Ca 0.47 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.20 1l3n s VAL 97 Cb -0.17 -2.77 0.29 0.00 0.00 0.00 0.00 36.38 33.73 1l3n s VAL 97 CO 0.13 0.48 0.95 -0.24 0.00 0.00 0.00 175.10 176.42 1l3n n SER 98 N 3.65 -1.95 -4.88 3.32 2.88 -1.26 -0.39 113.62 114.99 1l3n n SER 98 Ca -0.17 -3.41 -0.27 0.00 -1.33 0.00 0.00 58.87 53.68 1l3n n SER 98 Cb 0.52 1.39 -0.04 0.00 -0.75 0.00 0.00 64.21 65.33 1l3n n SER 98 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1l3n s ILE 99 N -0.03 5.02 -0.25 2.46 1.01 -1.26 -4.98 121.20 123.18 1l3n s ILE 99 Ca 0.28 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.21 1l3n s ILE 99 Cb 0.27 -3.54 0.06 0.00 0.01 0.00 0.00 42.46 39.26 1l3n s ILE 99 CO -0.12 -0.03 -0.09 -1.83 0.00 0.00 0.00 174.94 172.87 1l3n s GLU 100 N -2.97 2.00 -0.12 2.79 -1.05 -1.26 -0.18 118.70 117.90 1l3n s GLU 100 Ca 0.33 -1.20 -0.19 0.00 -0.15 0.00 0.00 54.97 53.76 1l3n s GLU 100 Cb -0.11 -2.77 -0.04 0.00 -0.44 0.00 0.00 34.13 30.77 1l3n s GLU 100 CO 0.26 -0.58 0.51 0.34 0.95 0.00 0.00 175.26 176.74 1l3n s ASP 101 N 1.22 6.70 -0.38 0.83 -1.08 0.02 -4.85 116.67 119.13 1l3n s ASP 101 Ca -0.08 0.84 0.06 0.00 -0.52 0.00 0.00 52.55 52.85 1l3n s ASP 101 Cb -0.19 -2.30 0.44 0.00 -1.46 0.00 0.00 42.92 39.40 1l3n s ASP 101 CO -0.06 -0.04 1.19 -0.24 0.52 0.00 0.00 175.17 176.55 1l3n n SER 102 N 3.84 4.96 0.00 -0.34 2.88 -1.26 0.18 113.62 123.88 1l3n n SER 102 Ca -0.06 -3.74 0.00 0.00 -1.33 0.00 0.00 58.87 53.74 1l3n n SER 102 Cb 0.51 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1l3n n SER 102 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1l3n n VAL 103 N -0.61 0.00 -2.62 2.46 3.14 -1.26 -5.07 118.33 114.37 1l3n n VAL 103 Ca 0.42 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.53 1l3n n VAL 103 Cb 0.80 -0.29 0.01 0.00 -1.06 0.00 0.00 33.84 33.29 1l3n n VAL 103 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 1l3n s ILE 104 N -1.46 4.66 -0.26 1.55 -5.25 -1.26 -5.09 121.20 114.09 1l3n s ILE 104 Ca 0.00 0.13 -0.01 0.00 -0.99 0.00 0.00 60.65 59.77 1l3n s ILE 104 Cb 0.00 -3.78 0.14 0.00 2.95 0.00 0.00 42.46 41.78 1l3n s ILE 104 CO 0.00 -0.76 0.40 -0.44 -1.79 0.00 0.00 174.94 172.35 1l3n s SER 105 N -4.14 0.22 0.36 4.36 0.01 -1.26 -4.56 113.70 108.69 1l3n s SER 105 Ca 0.48 0.06 0.24 0.00 1.31 0.00 0.00 55.95 58.04 1l3n s SER 105 Cb -0.10 1.16 1.27 0.00 0.21 0.00 0.00 66.02 68.56 1l3n s SER 105 CO 0.45 -0.32 1.40 0.18 0.41 0.00 0.00 173.24 175.36 1l3n n LEU 106 N 5.36 0.25 -2.93 2.44 4.77 -1.26 -0.63 117.00 125.00 1l3n n LEU 106 Ca -0.02 1.36 -0.13 0.00 -0.03 0.00 0.00 56.01 57.19 1l3n n LEU 106 Cb 0.50 -0.67 0.02 0.00 -2.33 0.00 0.00 43.42 40.94 1l3n n LEU 106 CO 0.03 -1.50 -0.05 -1.20 -1.33 0.00 0.00 177.39 173.34 1l3n n SER 107 N -4.75 0.27 -0.04 -1.43 7.64 -1.26 -4.33 113.62 109.72 1l3n n SER 107 Ca 0.35 -2.98 -0.01 0.00 1.01 0.00 0.00 58.87 57.23 1l3n n SER 107 Cb 1.28 -0.06 -0.00 0.00 -1.01 0.00 0.00 64.21 64.42 1l3n n SER 107 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1l3n h GLY 108 N 2.91 0.00 0.00 0.23 0.00 -1.27 -3.49 103.07 101.45 1l3n h GLY 108 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1l3n h GLY 108 CO 0.39 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.27 1l3n n ASP 109 N -3.90 -0.94 -0.01 0.19 -0.08 -1.26 -4.96 116.55 105.59 1l3n n ASP 109 Ca -0.02 0.27 -0.16 0.00 -1.51 0.00 0.00 54.79 53.36 1l3n n ASP 109 Cb 0.08 1.13 -0.11 0.00 2.34 0.00 0.00 41.12 44.56 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 0.47 -2.53 -0.67 -0.00 -1.95 -3.49 115.15 106.97 1l3n h HIS 110 Ca 0.00 -0.25 0.27 0.00 -0.00 0.00 0.00 60.37 60.39 1l3n h HIS 110 Cb 0.00 -0.06 -0.09 0.00 -0.00 0.00 0.00 27.41 27.26 1l3n h HIS 110 CO 0.00 1.05 -0.54 0.45 -0.00 0.00 0.00 177.93 178.89 1l3n n SER 111 N -4.34 -6.08 -0.33 2.45 2.88 -1.21 -4.80 113.62 102.19 1l3n n SER 111 Ca -0.10 0.61 0.05 0.00 -1.33 0.00 0.00 58.87 58.10 1l3n n SER 111 Cb 0.60 -3.56 0.07 0.00 -0.75 0.00 0.00 64.21 60.56 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 -3.44 0.90 -2.28 2.46 -5.35 -1.26 -4.86 119.36 105.53 1l3n n ILE 112 Ca -0.02 -1.12 -0.40 0.00 -0.27 0.00 0.00 62.75 60.94 1l3n n ILE 112 Cb 0.63 0.16 -0.03 0.00 -1.74 0.00 0.00 39.64 38.66 1l3n n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1l3n s ILE 113 N -1.37 3.08 -1.32 7.28 -1.09 -1.26 -3.76 121.20 122.75 1l3n s ILE 113 Ca 0.16 1.08 -0.02 0.00 -2.23 0.00 0.00 60.65 59.64 1l3n s ILE 113 Cb 0.14 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1l3n s ILE 113 CO 0.01 0.25 0.22 0.61 -1.23 0.00 0.00 174.94 174.81 1l3n n GLY 114 N 0.97 -0.29 3.93 6.18 0.00 -1.16 -5.01 105.19 109.81 1l3n n GLY 114 Ca -0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 -5.11 2.36 -0.25 1.61 1.81 -1.25 -2.24 118.95 115.87 1l3n s ARG 115 Ca 0.11 -1.77 0.01 0.00 -1.72 0.00 0.00 55.73 52.36 1l3n s ARG 115 Cb -0.05 -2.33 0.07 0.00 -0.45 0.00 0.00 34.95 32.19 1l3n s ARG 115 CO 0.14 -0.56 -0.05 0.99 -0.68 0.00 0.00 175.30 175.14 1l3n s THR 116 N -2.66 1.67 0.18 0.02 2.01 -0.40 -0.87 115.64 115.61 1l3n s THR 116 Ca 0.45 -1.41 -0.29 0.00 0.31 0.00 0.00 61.69 60.76 1l3n s THR 116 Cb -0.04 -1.95 -0.08 0.00 0.01 0.00 0.00 72.50 70.44 1l3n s THR 116 CO 0.28 -0.17 0.92 -0.76 -0.69 0.00 0.00 174.62 174.20 1l3n s LEU 117 N 1.31 4.59 -0.12 4.42 1.02 0.66 -4.11 118.68 126.45 1l3n s LEU 117 Ca -0.04 1.84 0.02 0.00 0.02 0.00 0.00 54.13 55.97 1l3n s LEU 117 Cb -0.19 -3.55 -0.01 0.00 0.02 0.00 0.00 46.19 42.47 1l3n s LEU 117 CO -0.07 0.09 -0.19 -0.69 0.02 0.00 0.00 176.35 175.51 1l3n s VAL 118 N -0.78 2.46 -0.41 -1.59 1.01 -1.16 -0.95 120.40 118.98 1l3n s VAL 118 Ca 0.42 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 1l3n s VAL 118 Cb -0.25 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1l3n s VAL 118 CO 0.30 0.54 0.32 0.54 0.00 0.00 0.00 175.10 176.81 1l3n s VAL 119 N 0.38 5.23 0.34 2.92 0.11 -0.55 -3.63 120.40 125.20 1l3n s VAL 119 Ca -0.15 -0.57 -0.04 0.00 -2.93 0.00 0.00 61.98 58.29 1l3n s VAL 119 Cb -0.17 -3.94 -0.05 0.00 -1.53 0.00 0.00 36.38 30.70 1l3n s VAL 119 CO 0.07 -0.31 0.61 -1.00 -3.33 0.00 0.00 175.10 171.13 1l3n s HIS 120 N 1.77 3.49 0.17 1.54 3.76 -0.86 -3.47 115.29 121.70 1l3n s HIS 120 Ca 0.06 0.64 -0.20 0.00 -0.15 0.00 0.00 55.06 55.41 1l3n s HIS 120 Cb -0.19 -2.12 0.10 0.00 1.11 0.00 0.00 32.58 31.49 1l3n s HIS 120 CO 0.11 0.07 1.61 1.49 -0.85 0.00 0.00 174.74 177.17 1l3n h GLU 121 N 1.21 -0.17 -6.03 1.40 4.81 -1.81 -3.28 114.58 110.71 1l3n h GLU 121 Ca -0.48 0.01 -0.53 0.00 -0.13 0.00 0.00 59.36 58.23 1l3n h GLU 121 Cb 1.20 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.56 1l3n h GLU 121 CO 0.64 -0.11 -0.42 0.15 -0.73 0.00 0.00 179.01 178.54 1l3n s LYS 122 N -6.08 2.38 0.35 1.92 1.02 0.15 -4.86 119.74 114.62 1l3n s LYS 122 Ca -0.15 -1.71 -0.28 0.00 0.02 0.00 0.00 55.97 53.85 1l3n s LYS 122 Cb 0.15 -2.18 -0.10 0.00 -0.52 0.00 0.00 37.83 35.18 1l3n s LYS 122 CO 0.69 -0.20 1.29 0.00 -0.92 0.00 0.00 175.35 176.21 1l3n s ALA 123 N -2.56 3.41 -0.07 5.17 0.00 -1.10 -0.64 121.76 125.99 1l3n s ALA 123 Ca 0.44 1.22 -0.30 0.00 0.00 0.00 0.00 51.96 53.32 1l3n s ALA 123 Cb -0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1l3n s ALA 123 CO 0.25 -0.65 1.14 -0.51 0.00 0.00 0.00 175.76 175.98 1l3n s ASP 124 N -0.61 7.11 0.00 0.00 1.11 -1.26 -4.12 116.67 118.91 1l3n s ASP 124 Ca 0.51 1.73 0.23 0.00 0.18 0.00 0.00 52.55 55.20 1l3n s ASP 124 Cb -0.38 -2.56 1.01 0.00 1.07 0.00 0.00 42.92 42.05 1l3n s ASP 124 CO 0.50 -0.54 1.75 0.47 1.18 0.00 0.00 175.17 178.53 1l3n n ASP 125 N 5.11 0.00 -3.94 0.27 8.00 0.37 -4.88 116.55 121.48 1l3n n ASP 125 Ca 0.10 0.47 -0.32 0.00 0.71 0.00 0.00 54.79 55.75 1l3n n ASP 125 Cb 0.47 -0.49 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.49 -1.75 0.00 0.64 4.77 -1.26 -0.88 117.00 117.03 1l3n n LEU 126 Ca 0.06 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 1l3n n LEU 126 Cb 0.27 -2.14 0.00 0.00 -2.33 0.00 0.00 43.42 39.21 1l3n n LEU 126 CO 0.21 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1l3n n GLY 127 N -1.36 2.12 0.00 -0.72 0.00 -0.65 -4.43 105.19 100.15 1l3n n GLY 127 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 1l3n n GLY 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1l3n n LYS 128 N -2.00 0.79 0.26 1.61 2.85 -0.06 -1.44 118.16 120.17 1l3n n LYS 128 Ca 0.00 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.40 1l3n n LYS 128 Cb 0.00 -1.35 0.63 0.00 -0.65 0.00 0.00 35.03 33.66 1l3n n LYS 128 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1l3n h GLY 129 N 4.17 0.00 -5.24 2.58 0.00 -1.90 -3.47 103.07 99.21 1l3n h GLY 129 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 1l3n h GLY 129 CO 0.00 0.00 -0.59 0.61 0.00 0.00 0.00 176.54 176.56 1l3n n GLY 130 N -0.06 -0.50 3.30 4.60 0.00 -0.52 -4.88 105.19 107.13 1l3n n GLY 130 Ca -0.00 0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 1l3n n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1l3n s ASN 131 N -2.78 1.27 0.20 1.61 2.20 -1.26 -5.01 114.94 111.18 1l3n s ASN 131 Ca 0.40 -1.53 -0.17 0.00 -0.94 0.00 0.00 52.86 50.62 1l3n s ASN 131 Cb -0.20 0.38 0.20 0.00 -2.00 0.00 0.00 41.25 39.63 1l3n s ASN 131 CO 0.49 -0.88 1.60 -0.08 -2.94 0.00 0.00 177.10 175.29 1l3n h GLU 132 N 2.29 -0.08 -0.13 3.55 4.22 -1.99 -0.31 114.58 122.13 1l3n h GLU 132 Ca -0.34 0.01 -0.20 0.00 0.08 0.00 0.00 59.36 58.92 1l3n h GLU 132 Cb 1.25 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1l3n h GLU 132 CO 0.51 -0.05 -0.71 1.49 -2.18 0.00 0.00 179.01 178.07 1l3n h GLU 133 N -0.08 0.59 -0.85 1.92 4.57 -1.98 -2.98 114.58 115.76 1l3n h GLU 133 Ca 0.28 -0.46 0.19 0.00 -1.18 0.00 0.00 59.36 58.20 1l3n h GLU 133 Cb 0.53 0.09 -0.12 0.00 -0.16 0.00 0.00 28.75 29.09 1l3n h GLU 133 CO -0.69 1.08 0.34 0.66 -1.18 0.00 0.00 179.01 179.22 1l3n h SER 134 N 0.41 0.27 0.49 1.04 4.64 -1.43 -0.29 113.55 118.68 1l3n h SER 134 Ca -0.03 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1l3n h SER 134 Cb 1.31 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1l3n h SER 134 CO 0.13 0.02 -0.04 1.07 -0.87 0.00 0.00 176.83 177.15 1l3n n THR 135 N -5.05 0.00 0.00 2.95 5.66 -0.44 -2.31 114.28 115.09 1l3n n THR 135 Ca 0.19 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.18 1l3n n THR 135 Cb 0.57 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 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 -1.19 0.00 -0.43 1.09 5.02 -0.27 -1.06 118.16 121.32 1l3n n LYS 136 Ca 0.15 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.52 1l3n n LYS 136 Cb 0.25 -0.05 0.29 0.00 -0.02 0.00 0.00 35.03 35.50 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 -1.58 1.48 -2.07 -0.18 -2.24 -0.32 -4.62 114.28 104.74 1l3n n THR 137 Ca 0.00 -1.18 -0.09 0.00 -2.27 0.00 0.00 64.05 60.51 1l3n n THR 137 Cb 0.00 0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.92 0.11 1.86 3.38 0.00 -0.39 -2.84 105.19 108.23 1l3n n GLY 138 Ca 0.21 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 0.28 -2.74 0.00 1.61 4.13 -1.23 -0.47 115.26 116.84 1l3n n ASN 139 Ca -0.11 0.25 0.08 0.00 1.68 0.00 0.00 54.58 56.48 1l3n n ASN 139 Cb 0.55 -2.63 0.40 0.00 -1.54 0.00 0.00 39.78 36.56 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 -0.16 1.87 0.00 5.41 0.00 -1.13 -4.80 120.51 121.70 1l3n n ALA 140 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1l3n n ALA 140 Cb 0.36 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.10 2.71 2.30 0.00 0.00 -1.26 0.30 105.19 109.34 1l3n n GLY 141 Ca 0.07 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 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 0.00 8.29 -3.88 1.61 2.88 -1.26 -4.71 113.62 116.55 1l3n n SER 142 Ca 0.00 -2.64 -0.37 0.00 -1.33 0.00 0.00 58.87 54.53 1l3n n SER 142 Cb 0.00 -1.52 0.02 0.00 -0.75 0.00 0.00 64.21 61.97 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 3.20 -0.99 0.01 -1.46 3.00 -1.26 -4.83 116.66 114.33 1l3n n ARG 143 Ca 0.73 0.29 0.07 0.00 -0.01 0.00 0.00 57.85 58.92 1l3n n ARG 143 Cb 0.31 -3.50 0.31 0.00 0.00 0.00 0.00 32.46 29.57 1l3n n ARG 143 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1l3n n LEU 144 N -4.57 0.07 -3.61 0.55 -0.00 -1.26 -4.61 117.00 103.58 1l3n n LEU 144 Ca -0.12 0.52 -0.12 0.00 -0.00 0.00 0.00 56.01 56.28 1l3n n LEU 144 Cb 0.59 -0.51 -0.07 0.00 -0.00 0.00 0.00 43.42 43.44 1l3n n LEU 144 CO 0.71 -0.30 0.62 0.00 -0.00 0.00 0.00 177.39 178.42 1l3n s ALA 145 N -3.03 -1.89 0.22 1.47 0.00 -1.23 -1.99 121.76 115.32 1l3n s ALA 145 Ca 0.06 1.78 -0.19 0.00 0.00 0.00 0.00 51.96 53.62 1l3n s ALA 145 Cb 0.09 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 22.20 1l3n s ALA 145 CO 0.26 -0.29 0.59 0.00 0.00 0.00 0.00 175.76 176.31 1l3n s GLY 147 N -2.89 -0.60 -0.11 0.00 0.00 -0.12 -0.61 107.32 102.99 1l3n s GLY 147 Ca 0.10 0.67 -0.03 0.00 0.00 0.00 0.00 44.72 45.46 1l3n s GLY 147 CO 0.00 0.31 0.02 0.14 0.00 0.00 0.00 173.10 173.58 1l3n s VAL 148 N -3.26 4.47 -0.06 1.40 1.01 -1.26 -0.24 120.40 122.45 1l3n s VAL 148 Ca -0.01 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1l3n s VAL 148 Cb -0.01 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1l3n s VAL 148 CO -0.09 0.58 1.18 -0.63 0.00 0.00 0.00 175.10 176.14 1l3n s ILE 149 N -0.59 4.30 0.12 2.22 1.01 -0.04 -4.48 121.20 123.73 1l3n s ILE 149 Ca 0.10 1.62 0.10 0.00 0.00 0.00 0.00 60.65 62.48 1l3n s ILE 149 Cb -0.12 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1l3n s ILE 149 CO 0.02 0.00 -0.25 -0.83 0.00 0.00 0.00 174.94 173.89 1l3n s GLY 150 N 1.43 1.59 0.31 6.18 0.00 -0.41 -3.01 107.32 113.42 1l3n s GLY 150 Ca 0.55 -1.42 -0.29 0.00 0.00 0.00 0.00 44.72 43.56 1l3n s GLY 150 CO 0.22 -1.40 1.38 1.39 0.00 0.00 0.00 173.10 174.69 1l3n n ILE 151 N 0.95 1.59 -4.40 0.90 5.41 -1.26 -1.85 119.36 120.70 1l3n n ILE 151 Ca -0.17 -0.40 -0.20 0.00 1.00 0.00 0.00 62.75 62.98 1l3n n ILE 151 Cb 0.53 -1.64 -0.10 0.00 -0.71 0.00 0.00 39.64 37.72 1l3n n ILE 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1l3n s ALA 152 N -0.67 2.17 0.00 -1.39 0.00 -0.93 -4.76 121.76 116.18 1l3n s ALA 152 Ca 0.60 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1l3n s ALA 152 Cb -0.57 0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1l3n s ALA 152 CO 0.57 -0.16 0.44 0.94 0.00 0.00 0.00 175.76 177.55