#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnx n THR 2 N 0.00 0.00 -4.21 0.00 5.66 -1.26 -4.54 114.28 109.92 2nnx n THR 2 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 2nnx n THR 2 Cb 0.00 -0.29 -0.13 0.00 -1.55 0.00 0.00 70.33 68.36 2nnx n THR 2 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2nnx s LYS 3 N -1.51 0.74 0.13 1.09 1.02 -1.26 -0.05 119.74 119.89 2nnx s LYS 3 Ca 0.00 -0.74 -0.01 0.00 0.02 0.00 0.00 55.97 55.24 2nnx s LYS 3 Cb 0.00 -0.68 -0.04 0.00 -0.52 0.00 0.00 37.83 36.59 2nnx s LYS 3 CO 0.00 0.16 0.06 0.00 -0.92 0.00 0.00 175.35 174.65 2nnx s ALA 4 N -1.01 0.81 -0.02 5.17 0.00 -0.57 -2.05 121.76 124.09 2nnx s ALA 4 Ca -0.02 -1.44 -0.10 0.00 0.00 0.00 0.00 51.96 50.40 2nnx s ALA 4 Cb -0.08 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.90 2nnx s ALA 4 CO 0.01 -0.49 0.21 0.54 0.00 0.00 0.00 175.76 176.03 2nnx s VAL 5 N -4.04 0.06 -0.03 0.00 0.11 0.15 -1.37 120.40 115.28 2nnx s VAL 5 Ca 0.23 -0.52 -0.00 0.00 -2.93 0.00 0.00 61.98 58.76 2nnx s VAL 5 Cb 0.07 -0.48 0.03 0.00 -1.53 0.00 0.00 36.38 34.47 2nnx s VAL 5 CO 0.01 -0.29 0.02 0.00 -3.33 0.00 0.00 175.10 171.52 2nnx s VAL 7 N 1.25 5.27 -0.19 0.00 1.01 -1.26 -0.90 120.40 125.58 2nnx s VAL 7 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 2nnx s VAL 7 Cb -0.13 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2nnx s VAL 7 CO -0.03 0.07 0.47 -0.76 0.00 0.00 0.00 175.10 174.86 2nnx s LEU 8 N 1.80 4.16 0.05 3.92 1.02 0.17 -3.85 118.68 125.95 2nnx s LEU 8 Ca 0.08 0.63 -0.01 0.00 0.02 0.00 0.00 54.13 54.85 2nnx s LEU 8 Cb -0.17 -2.64 -0.04 0.00 0.02 0.00 0.00 46.19 43.37 2nnx s LEU 8 CO 0.11 -0.13 -0.03 -0.54 0.02 0.00 0.00 176.35 175.77 2nnx s LYS 9 N 1.46 0.59 0.00 1.70 1.02 -0.89 -1.77 119.74 121.84 2nnx s LYS 9 Ca 0.22 -1.14 0.00 0.00 0.02 0.00 0.00 55.97 55.08 2nnx s LYS 9 Cb -0.15 0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.31 2nnx s LYS 9 CO 0.09 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 2nnx n GLY 10 N 0.33 4.24 0.15 -3.33 0.00 -1.23 -1.21 105.19 104.13 2nnx n GLY 10 Ca -0.15 -1.05 0.04 0.00 0.00 0.00 0.00 46.02 44.85 2nnx n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nnx h ASP 11 N 0.00 0.00 0.00 1.61 3.32 -1.92 -3.47 116.42 115.96 2nnx h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2nnx h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2nnx h ASP 11 CO 0.00 0.44 0.00 0.61 -1.72 0.00 0.00 179.24 178.57 2nnx n GLY 12 N 1.21 3.23 0.05 2.75 0.00 -1.26 -5.02 105.19 106.14 2nnx n GLY 12 Ca 0.02 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.38 2nnx n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nnx n PRO 13 N 0.00 0.28 -2.46 1.61 -0.04 -1.26 -4.90 135.00 128.23 2nnx n PRO 13 Ca 0.00 -0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 62.94 2nnx n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 2nnx n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2nnx s VAL 14 N -2.79 4.26 -0.08 0.52 1.01 -1.26 -4.33 120.40 117.73 2nnx s VAL 14 Ca 0.19 1.58 -0.17 0.00 0.00 0.00 0.00 61.98 63.57 2nnx s VAL 14 Cb 0.19 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.59 2nnx s VAL 14 CO 0.56 -0.01 0.42 0.00 0.00 0.00 0.00 175.10 176.06 2nnx s GLN 15 N 2.33 0.67 0.07 2.72 -2.07 -1.07 -3.52 119.66 118.79 2nnx s GLN 15 Ca 0.56 0.18 -0.27 0.00 -1.82 0.00 0.00 55.36 54.01 2nnx s GLN 15 Cb -0.24 0.31 0.09 0.00 -1.09 0.00 0.00 33.01 32.07 2nnx s GLN 15 CO 0.21 -0.16 1.01 0.20 -1.32 0.00 0.00 175.29 175.23 2nnx s GLY 16 N -0.71 -0.32 -0.14 2.60 0.00 -0.73 -1.20 107.32 106.83 2nnx s GLY 16 Ca -0.08 0.51 0.01 0.00 0.00 0.00 0.00 44.72 45.16 2nnx s GLY 16 CO 0.04 0.13 -0.15 -0.42 0.00 0.00 0.00 173.10 172.70 2nnx s ILE 17 N -3.06 1.57 -0.16 0.90 1.01 -0.89 -0.66 121.20 119.91 2nnx s ILE 17 Ca 0.11 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2nnx s ILE 17 Cb -0.00 -1.46 -0.00 0.00 0.01 0.00 0.00 42.46 41.01 2nnx s ILE 17 CO -0.02 0.46 -0.15 -0.63 0.00 0.00 0.00 174.94 174.60 2nnx s ILE 18 N 1.31 2.72 0.01 2.92 -1.09 -0.07 -2.43 121.20 124.57 2nnx s ILE 18 Ca 0.01 -0.75 -0.04 0.00 -2.23 0.00 0.00 60.65 57.64 2nnx s ILE 18 Cb -0.14 -2.15 -0.04 0.00 -1.58 0.00 0.00 42.46 38.55 2nnx s ILE 18 CO -0.08 0.51 0.22 0.20 -1.23 0.00 0.00 174.94 174.57 2nnx s ASN 19 N 0.80 6.41 -0.01 3.58 0.01 0.76 -0.60 114.94 125.89 2nnx s ASN 19 Ca -0.05 0.41 0.05 0.00 -0.71 0.00 0.00 52.86 52.55 2nnx s ASN 19 Cb -0.15 -2.03 -0.01 0.00 0.41 0.00 0.00 41.25 39.47 2nnx s ASN 19 CO 0.00 0.23 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.32 2nnx s PHE 20 N -1.36 1.37 -0.01 2.20 0.08 -0.47 -1.20 117.98 118.58 2nnx s PHE 20 Ca 0.29 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 57.08 2nnx s PHE 20 Cb -0.13 -0.88 0.02 0.00 -0.57 0.00 0.00 43.02 41.46 2nnx s PHE 20 CO 0.19 -0.03 0.01 -2.00 -0.10 0.00 0.00 175.22 173.29 2nnx s GLU 21 N -0.34 0.08 -0.18 0.44 2.12 0.09 -1.52 118.70 119.40 2nnx s GLU 21 Ca 0.05 0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.43 2nnx s GLU 21 Cb -0.06 -0.22 0.06 0.00 0.26 0.00 0.00 34.13 34.16 2nnx s GLU 21 CO -0.00 -0.08 0.03 -1.14 -0.54 0.00 0.00 175.26 173.52 2nnx s GLN 22 N 0.60 0.66 0.26 4.30 0.74 0.93 -0.38 119.66 126.77 2nnx s GLN 22 Ca -0.05 -0.35 0.15 0.00 0.05 0.00 0.00 55.36 55.15 2nnx s GLN 22 Cb -0.08 -1.97 0.04 0.00 1.10 0.00 0.00 33.01 32.11 2nnx s GLN 22 CO -0.01 -0.59 1.39 0.87 -0.55 0.00 0.00 175.29 176.39 2nnx h LYS 23 N 8.25 0.00 -4.48 1.67 1.57 -1.80 -3.39 116.57 118.39 2nnx h LYS 23 Ca -0.17 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.19 2nnx h LYS 23 Cb 1.12 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.12 2nnx h LYS 23 CO 0.33 0.49 -0.78 -1.21 -0.57 0.00 0.00 179.45 177.70 2nnx s GLU 24 N -2.96 0.92 0.27 3.15 2.02 -1.26 -4.99 118.70 115.85 2nnx s GLU 24 Ca 0.03 -0.27 -0.31 0.00 0.02 0.00 0.00 54.97 54.45 2nnx s GLU 24 Cb 0.08 -0.86 -0.13 0.00 0.10 0.00 0.00 34.13 33.32 2nnx s GLU 24 CO 0.75 0.08 1.46 -1.13 0.02 0.00 0.00 175.26 176.44 2nnx n SER 25 N 3.39 3.12 0.00 -0.19 3.41 -1.26 -0.35 113.62 121.74 2nnx n SER 25 Ca -0.19 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 2nnx n SER 25 Cb 0.54 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 2nnx n SER 25 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2nnx n ASN 26 N 2.04 0.00 -4.49 4.04 5.03 -1.26 -5.01 115.26 115.62 2nnx n ASN 26 Ca 0.10 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.26 2nnx n ASN 26 Cb 0.34 -0.97 0.15 0.00 -1.02 0.00 0.00 39.78 38.27 2nnx n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2nnx s GLY 27 N -2.00 1.67 0.58 7.41 0.00 0.52 -5.01 107.32 110.49 2nnx s GLY 27 Ca 0.00 -0.89 -0.20 0.00 0.00 0.00 0.00 44.72 43.62 2nnx s GLY 27 CO 0.00 -0.25 1.29 -1.55 0.00 0.00 0.00 173.10 172.59 2nnx n PRO 28 N -3.65 1.42 -4.00 2.90 -0.04 -1.26 -4.80 135.00 125.57 2nnx n PRO 28 Ca 0.11 0.53 -0.35 0.00 -0.04 0.00 0.00 63.50 63.75 2nnx n PRO 28 Cb 0.60 -2.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.44 2nnx n PRO 28 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2nnx s VAL 29 N -1.34 4.19 -0.10 0.52 1.01 0.29 -4.48 120.40 120.50 2nnx s VAL 29 Ca 0.75 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 62.25 2nnx s VAL 29 Cb -0.41 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2nnx s VAL 29 CO 0.46 0.41 0.81 -0.54 0.00 0.00 0.00 175.10 176.24 2nnx s LYS 30 N 1.02 4.40 -0.19 2.72 1.02 0.49 -0.85 119.74 128.34 2nnx s LYS 30 Ca 0.03 1.04 0.01 0.00 0.02 0.00 0.00 55.97 57.07 2nnx s LYS 30 Cb -0.14 -3.50 0.03 0.00 -0.52 0.00 0.00 37.83 33.70 2nnx s LYS 30 CO 0.02 -0.12 -0.16 0.08 -0.92 0.00 0.00 175.35 174.26 2nnx s VAL 31 N 1.38 1.94 -0.03 3.17 1.01 0.35 -0.73 120.40 127.50 2nnx s VAL 31 Ca 0.41 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 2nnx s VAL 31 Cb -0.18 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.37 2nnx s VAL 31 CO 0.18 0.36 0.34 -1.66 0.00 0.00 0.00 175.10 174.32 2nnx s TRP 32 N 1.30 -0.23 -4.46 5.22 -2.14 -0.34 -0.18 118.94 118.12 2nnx s TRP 32 Ca 0.01 0.39 0.00 0.00 2.66 0.00 0.00 56.10 59.16 2nnx s TRP 32 Cb -0.15 0.12 0.00 0.00 -3.10 0.00 0.00 33.47 30.34 2nnx s TRP 32 CO -0.10 -0.39 0.00 0.41 -2.66 0.00 0.00 176.95 174.21 2nnx n GLY 33 N 1.39 -0.52 2.92 3.67 0.00 -0.90 -0.17 105.19 111.58 2nnx n GLY 33 Ca -0.21 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 2nnx n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2nnx s SER 34 N -4.00 0.63 -0.05 1.61 0.15 -1.02 -0.27 113.70 110.76 2nnx s SER 34 Ca 0.00 -0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.60 2nnx s SER 34 Cb 0.00 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 2nnx s SER 34 CO 0.00 0.01 -0.15 -0.63 1.20 0.00 0.00 173.24 173.68 2nnx s ILE 35 N 0.28 1.26 0.44 6.45 1.01 -0.47 -2.10 121.20 128.07 2nnx s ILE 35 Ca -0.03 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.08 2nnx s ILE 35 Cb -0.07 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.24 2nnx s ILE 35 CO -0.00 0.37 0.06 -1.59 0.00 0.00 0.00 174.94 173.78 2nnx s LYS 36 N 0.28 2.08 0.00 2.79 -2.85 -0.34 0.10 119.74 121.81 2nnx s LYS 36 Ca -0.08 -2.11 0.00 0.00 -1.00 0.00 0.00 55.97 52.78 2nnx s LYS 36 Cb -0.13 -1.71 0.00 0.00 -2.06 0.00 0.00 37.83 33.93 2nnx s LYS 36 CO 0.03 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 175.73 2nnx n GLY 37 N -1.12 0.48 3.92 0.59 0.00 -1.13 -2.59 105.19 105.33 2nnx n GLY 37 Ca -0.07 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 2nnx n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nnx s LEU 38 N 0.00 4.30 0.53 0.99 1.43 -0.96 -4.31 118.68 120.66 2nnx s LEU 38 Ca 0.00 0.34 -0.20 0.00 -1.03 0.00 0.00 54.13 53.25 2nnx s LEU 38 Cb 0.00 -3.07 -0.06 0.00 0.03 0.00 0.00 46.19 43.08 2nnx s LEU 38 CO 0.00 0.06 1.12 0.42 0.23 0.00 0.00 176.35 178.18 2nnx s THR 39 N -1.70 3.24 0.30 5.49 -4.23 -1.26 -3.84 115.64 113.63 2nnx s THR 39 Ca 0.37 0.78 -0.30 0.00 -1.18 0.00 0.00 61.69 61.36 2nnx s THR 39 Cb -0.12 -3.32 -0.12 0.00 1.34 0.00 0.00 72.50 70.29 2nnx s THR 39 CO 0.28 -0.16 1.56 1.21 -0.54 0.00 0.00 174.62 176.97 2nnx n GLU 40 N -1.21 2.61 0.00 3.99 2.13 -1.26 -4.58 120.64 122.31 2nnx n GLU 40 Ca 0.11 0.93 0.00 0.00 0.66 0.00 0.00 57.16 58.86 2nnx n GLU 40 Cb 0.51 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.54 2nnx n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nnx n GLY 41 N 1.95 -0.08 3.83 8.31 0.00 -0.46 -4.94 105.19 113.80 2nnx n GLY 41 Ca 0.08 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.57 2nnx n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nnx s LEU 42 N 0.00 4.46 -0.05 0.99 1.43 -1.26 -1.27 118.68 122.98 2nnx s LEU 42 Ca 0.00 0.93 0.01 0.00 -1.03 0.00 0.00 54.13 54.03 2nnx s LEU 42 Cb 0.00 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.68 2nnx s LEU 42 CO 0.00 0.31 -0.04 -1.00 0.23 0.00 0.00 176.35 175.85 2nnx s HIS 43 N -0.95 0.78 0.25 0.29 3.76 0.17 -2.60 115.29 116.99 2nnx s HIS 43 Ca 0.23 -0.23 -0.30 0.00 -0.15 0.00 0.00 55.06 54.61 2nnx s HIS 43 Cb -0.16 -0.72 -0.14 0.00 1.11 0.00 0.00 32.58 32.66 2nnx s HIS 43 CO 0.13 -0.23 1.24 0.41 -0.85 0.00 0.00 174.74 175.43 2nnx n GLY 44 N 4.29 0.32 2.76 -2.22 0.00 -0.44 -0.95 105.19 108.96 2nnx n GLY 44 Ca -0.21 0.44 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 2nnx n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2nnx s PHE 45 N -0.45 -0.23 0.30 1.61 5.36 -0.52 -0.20 117.98 123.84 2nnx s PHE 45 Ca 0.66 0.27 -0.12 0.00 -0.96 0.00 0.00 56.93 56.77 2nnx s PHE 45 Cb -0.70 -0.36 0.01 0.00 -0.34 0.00 0.00 43.02 41.63 2nnx s PHE 45 CO 0.54 -0.54 0.58 -0.98 -1.46 0.00 0.00 175.22 173.36 2nnx s ARG 46 N 2.31 1.80 -0.24 10.12 3.03 -0.62 -2.50 118.95 132.85 2nnx s ARG 46 Ca 0.06 -1.36 -0.06 0.00 2.03 0.00 0.00 55.73 56.40 2nnx s ARG 46 Cb -0.15 0.52 -0.02 0.00 -1.03 0.00 0.00 34.95 34.27 2nnx s ARG 46 CO -0.11 -0.78 0.03 0.08 -1.13 0.00 0.00 175.30 173.38 2nnx s VAL 47 N -3.46 3.92 0.45 4.99 1.01 -0.31 -0.54 120.40 126.46 2nnx s VAL 47 Ca 0.21 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 2nnx s VAL 47 Cb -0.02 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.47 2nnx s VAL 47 CO 0.12 0.36 0.82 -1.10 0.00 0.00 0.00 175.10 175.30 2nnx s GLN 48 N 1.56 3.74 0.18 2.72 -0.21 0.14 -0.84 119.66 126.95 2nnx s GLN 48 Ca 0.06 0.50 -0.12 0.00 0.02 0.00 0.00 55.36 55.82 2nnx s GLN 48 Cb -0.15 -2.33 0.09 0.00 1.00 0.00 0.00 33.01 31.62 2nnx s GLN 48 CO 0.01 -0.14 1.81 1.49 -2.12 0.00 0.00 175.29 176.34 2nnx h GLU 49 N 0.89 0.83 -6.07 2.91 4.81 -0.59 -2.93 114.58 114.44 2nnx h GLU 49 Ca -0.47 -0.08 -0.68 0.00 -0.13 0.00 0.00 59.36 58.01 2nnx h GLU 49 Cb 1.19 -0.17 -0.15 0.00 0.63 0.00 0.00 28.75 30.25 2nnx h GLU 49 CO 0.63 0.60 -0.64 -0.06 -0.73 0.00 0.00 179.01 178.81 2nnx s PHE 50 N -5.95 3.10 -0.33 0.92 0.08 0.07 -4.68 117.98 111.19 2nnx s PHE 50 Ca -0.13 0.13 -0.04 0.00 0.12 0.00 0.00 56.93 57.01 2nnx s PHE 50 Cb 0.13 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.86 2nnx s PHE 50 CO 0.77 0.45 2.83 0.41 -0.10 0.00 0.00 175.22 179.57 2nnx n GLY 51 N 1.86 3.98 3.25 4.36 0.00 -0.96 -3.37 105.19 114.31 2nnx n GLY 51 Ca -0.17 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 2nnx n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2nnx s ASP 52 N 0.72 5.46 -0.32 1.61 -1.08 -1.26 -4.94 116.67 116.87 2nnx s ASP 52 Ca 0.55 -1.45 0.08 0.00 -0.52 0.00 0.00 52.55 51.20 2nnx s ASP 52 Cb 0.34 -1.92 0.52 0.00 -1.46 0.00 0.00 42.92 40.40 2nnx s ASP 52 CO -0.14 -0.46 1.51 0.59 0.52 0.00 0.00 175.17 177.19 2nnx n ASN 53 N 4.83 2.71 0.06 -0.34 3.02 -1.26 -2.06 115.26 122.23 2nnx n ASN 53 Ca -0.10 -3.78 -0.01 0.00 -0.03 0.00 0.00 54.58 50.66 2nnx n ASN 53 Cb 0.43 -0.66 0.29 0.00 -0.61 0.00 0.00 39.78 39.23 2nnx n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2nnx h THR 54 N 1.03 1.23 -1.00 3.41 1.35 -1.92 -2.88 112.91 114.13 2nnx h THR 54 Ca 0.27 -1.07 -0.56 0.00 -0.55 0.00 0.00 66.41 64.50 2nnx h THR 54 Cb 1.76 1.30 -0.43 0.00 -1.73 0.00 0.00 68.15 69.05 2nnx h THR 54 CO 0.49 0.34 -0.79 0.00 -0.25 0.00 0.00 175.52 175.31 2nnx n ALA 55 N -2.48 5.04 0.00 6.62 0.00 -1.26 -5.09 120.51 123.34 2nnx n ALA 55 Ca -0.00 -3.97 0.00 0.00 0.00 0.00 0.00 53.44 49.47 2nnx n ALA 55 Cb 0.34 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.40 2nnx n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nnx n GLY 56 N -0.63 -1.49 0.25 0.00 0.00 -1.09 -4.34 105.19 97.90 2nnx n GLY 56 Ca 0.42 -1.33 0.13 0.00 0.00 0.00 0.00 46.02 45.25 2nnx n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnx h THR 58 N 0.00 1.21 -0.06 0.00 1.35 -1.90 -2.45 112.91 111.07 2nnx h THR 58 Ca -0.00 -0.43 0.02 0.00 -0.55 0.00 0.00 66.41 65.44 2nnx h THR 58 Cb 0.63 0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.11 2nnx h THR 58 CO 0.02 0.22 0.36 0.28 -0.25 0.00 0.00 175.52 176.14 2nnx h SER 59 N 1.09 0.00 1.32 5.36 0.02 -1.74 -2.66 113.55 116.95 2nnx h SER 59 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2nnx h SER 59 Cb -0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2nnx h SER 59 CO -0.06 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.63 2nnx h ALA 60 N 1.33 1.00 0.00 3.77 0.00 -0.90 -3.41 119.26 121.05 2nnx h ALA 60 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2nnx h ALA 60 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2nnx h ALA 60 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2nnx n GLY 61 N 0.90 -1.67 3.64 0.00 0.00 -1.00 -0.75 105.19 106.30 2nnx n GLY 61 Ca 0.04 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 2nnx n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nnx s PRO 62 N 0.00 0.21 0.29 1.61 0.04 -1.26 -4.50 135.00 131.40 2nnx s PRO 62 Ca 0.00 0.67 -0.29 0.00 0.04 0.00 0.00 61.00 61.42 2nnx s PRO 62 Cb 0.00 -1.70 -0.13 0.00 0.04 0.00 0.00 34.50 32.71 2nnx s PRO 62 CO 0.00 -2.92 1.23 0.72 0.04 0.00 0.00 177.00 176.07 2nnx n HIS 63 N -4.33 1.91 -1.77 0.56 8.25 -1.26 -0.40 115.22 118.17 2nnx n HIS 63 Ca 0.05 0.58 -0.42 0.00 -0.26 0.00 0.00 57.72 57.67 2nnx n HIS 63 Cb 0.56 -2.37 -0.03 0.00 1.12 0.00 0.00 29.99 29.27 2nnx n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2nnx s PHE 64 N -0.80 1.79 -0.42 4.41 5.36 -0.02 -4.51 117.98 123.79 2nnx s PHE 64 Ca 0.60 -0.13 0.09 0.00 -0.96 0.00 0.00 56.93 56.53 2nnx s PHE 64 Cb -0.64 -4.14 0.34 0.00 -0.34 0.00 0.00 43.02 38.24 2nnx s PHE 64 CO 0.58 -4.87 0.96 -1.71 -1.46 0.00 0.00 175.22 168.73 2nnx n ASN 65 N 6.69 -0.97 0.15 6.13 5.15 -1.26 -1.40 115.26 129.75 2nnx n ASN 65 Ca 0.18 -3.37 0.12 0.00 -0.60 0.00 0.00 54.58 50.91 2nnx n ASN 65 Cb 0.40 0.82 0.56 0.00 -0.53 0.00 0.00 39.78 41.04 2nnx n ASN 65 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2nnx n PRO 66 N 0.29 0.17 -0.15 1.20 -0.04 -1.26 -2.46 135.00 132.75 2nnx n PRO 66 Ca 0.14 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.26 2nnx n PRO 66 Cb 0.69 -1.94 0.19 0.00 -0.04 0.00 0.00 33.50 32.40 2nnx n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2nnx n LEU 67 N -2.28 3.34 -3.70 1.53 4.77 -1.26 -4.98 117.00 114.42 2nnx n LEU 67 Ca 0.00 -1.42 -0.24 0.00 -0.03 0.00 0.00 56.01 54.32 2nnx n LEU 67 Cb 0.13 -0.20 0.05 0.00 -2.33 0.00 0.00 43.42 41.06 2nnx n LEU 67 CO 0.15 0.70 0.09 -1.20 -1.33 0.00 0.00 177.39 175.79 2nnx n SER 68 N 1.43 -3.54 -4.94 -1.43 7.64 -1.03 -5.01 113.62 106.74 2nnx n SER 68 Ca 0.18 -0.71 -0.24 0.00 1.01 0.00 0.00 58.87 59.10 2nnx n SER 68 Cb 0.59 -4.40 0.01 0.00 -1.01 0.00 0.00 64.21 59.40 2nnx n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2nnx s ARG 69 N -6.14 3.19 0.66 1.43 3.00 -1.26 -5.11 118.95 114.72 2nnx s ARG 69 Ca 0.33 -0.29 -0.11 0.00 0.00 0.00 0.00 55.73 55.66 2nnx s ARG 69 Cb -0.16 -2.51 -0.02 0.00 0.00 0.00 0.00 34.95 32.27 2nnx s ARG 69 CO 0.79 -0.25 1.05 0.15 0.00 0.00 0.00 175.30 177.04 2nnx s LYS 70 N -4.61 3.29 0.33 3.54 -0.14 -1.26 -4.72 119.74 116.16 2nnx s LYS 70 Ca 0.48 0.71 -0.29 0.00 -1.36 0.00 0.00 55.97 55.51 2nnx s LYS 70 Cb -0.10 -2.05 -0.11 0.00 -1.68 0.00 0.00 37.83 33.89 2nnx s LYS 70 CO 0.40 -0.79 1.45 -1.58 -0.76 0.00 0.00 175.35 174.07 2nnx s HIS 71 N -3.20 2.81 0.37 3.18 5.65 0.10 -3.14 115.29 121.05 2nnx s HIS 71 Ca 0.56 1.16 -0.02 0.00 0.25 0.00 0.00 55.06 57.01 2nnx s HIS 71 Cb -0.12 -3.90 0.01 0.00 -1.18 0.00 0.00 32.58 27.39 2nnx s HIS 71 CO 0.54 -2.72 0.51 0.20 -0.65 0.00 0.00 174.74 172.62 2nnx s GLY 72 N -0.06 1.56 0.69 1.59 0.00 -1.25 -4.41 107.32 105.45 2nnx s GLY 72 Ca 0.54 -1.55 -0.11 0.00 0.00 0.00 0.00 44.72 43.60 2nnx s GLY 72 CO 0.55 -0.99 1.06 -0.32 0.00 0.00 0.00 173.10 173.40 2nnx s GLY 73 N -3.26 1.66 0.56 0.20 0.00 -1.21 -4.72 107.32 100.55 2nnx s GLY 73 Ca 0.30 0.02 0.37 0.00 0.00 0.00 0.00 44.72 45.41 2nnx s GLY 73 CO 0.22 0.34 2.12 -0.56 0.00 0.00 0.00 173.10 175.22 2nnx h PRO 74 N -0.69 0.00 0.00 2.90 0.13 -1.89 -1.97 132.00 130.47 2nnx h PRO 74 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2nnx h PRO 74 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2nnx h PRO 74 CO 0.58 0.00 -0.68 1.63 -0.23 0.00 0.00 178.00 179.30 2nnx n LYS 75 N -2.91 0.10 -2.45 0.86 5.02 -1.26 -4.93 118.16 112.59 2nnx n LYS 75 Ca -0.01 0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 55.95 2nnx n LYS 75 Cb 0.14 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 2nnx n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2nnx s ASP 76 N -3.35 6.33 0.06 4.39 1.01 -0.74 -4.98 116.67 119.39 2nnx s ASP 76 Ca 0.09 1.83 -0.10 0.00 0.71 0.00 0.00 52.55 55.08 2nnx s ASP 76 Cb 0.16 -2.55 -0.30 0.00 1.01 0.00 0.00 42.92 41.25 2nnx s ASP 76 CO 0.74 -0.79 1.10 -0.33 0.21 0.00 0.00 175.17 176.10 2nnx h GLU 77 N 1.29 0.43 -6.14 8.23 5.08 -1.91 -3.39 114.58 118.16 2nnx h GLU 77 Ca -0.49 -0.69 -0.57 0.00 -1.00 0.00 0.00 59.36 56.62 2nnx h GLU 77 Cb 1.21 0.25 -0.10 0.00 0.50 0.00 0.00 28.75 30.61 2nnx h GLU 77 CO 0.59 1.32 1.02 -2.00 -1.00 0.00 0.00 179.01 178.94 2nnx s GLU 78 N -2.73 3.24 0.19 2.33 2.56 -1.26 -4.94 118.70 118.08 2nnx s GLU 78 Ca -0.07 -0.49 -0.22 0.00 0.00 0.00 0.00 54.97 54.19 2nnx s GLU 78 Cb 0.06 -4.36 0.05 0.00 2.00 0.00 0.00 34.13 31.89 2nnx s GLU 78 CO 0.91 -2.09 0.61 -0.98 -0.56 0.00 0.00 175.26 173.15 2nnx s ARG 79 N 5.29 1.38 0.37 4.30 1.04 -1.19 -3.76 118.95 126.39 2nnx s ARG 79 Ca 0.34 -0.62 -0.25 0.00 -1.04 0.00 0.00 55.73 54.17 2nnx s ARG 79 Cb -0.08 0.58 -0.09 0.00 -2.04 0.00 0.00 34.95 33.32 2nnx s ARG 79 CO 0.10 -0.61 1.02 -1.01 -0.04 0.00 0.00 175.30 174.76 2nnx s HIS 80 N -3.80 3.40 0.31 5.89 3.76 -1.21 -4.64 115.29 119.01 2nnx s HIS 80 Ca 0.04 1.68 0.08 0.00 -0.15 0.00 0.00 55.06 56.71 2nnx s HIS 80 Cb -0.02 -3.07 0.84 0.00 1.11 0.00 0.00 32.58 31.45 2nnx s HIS 80 CO -0.08 -0.37 1.73 0.28 -0.85 0.00 0.00 174.74 175.45 2nnx h VAL 81 N 2.35 0.54 0.00 -0.90 2.07 -1.85 -1.12 116.25 117.34 2nnx h VAL 81 Ca -0.48 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2nnx h VAL 81 Cb 1.21 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2nnx h VAL 81 CO 0.63 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.93 2nnx n GLY 82 N -1.32 -0.90 3.55 2.17 0.00 -0.49 -4.21 105.19 103.99 2nnx n GLY 82 Ca 0.26 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2nnx n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nnx s ASP 83 N -2.11 6.02 -0.16 1.61 1.01 -0.43 -1.16 116.67 121.45 2nnx s ASP 83 Ca 0.38 -0.21 0.16 0.00 0.71 0.00 0.00 52.55 53.59 2nnx s ASP 83 Cb 0.18 -2.55 0.50 0.00 1.01 0.00 0.00 42.92 42.07 2nnx s ASP 83 CO 0.33 -1.90 1.40 0.18 0.21 0.00 0.00 175.17 175.39 2nnx n LEU 84 N 9.93 3.76 0.00 1.23 4.77 -1.04 -3.89 117.00 131.75 2nnx n LEU 84 Ca 0.07 -2.94 0.00 0.00 -0.03 0.00 0.00 56.01 53.11 2nnx n LEU 84 Cb 0.50 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2nnx n LEU 84 CO 0.71 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 178.06 2nnx n GLY 85 N -0.46 2.01 3.10 -0.72 0.00 -1.17 -4.75 105.19 103.19 2nnx n GLY 85 Ca 0.20 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 2nnx n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2nnx s ASN 86 N -4.00 1.39 0.19 1.61 0.01 -1.26 -1.44 114.94 111.45 2nnx s ASN 86 Ca 0.00 -0.37 0.05 0.00 -0.71 0.00 0.00 52.86 51.82 2nnx s ASN 86 Cb 0.00 -0.10 -0.03 0.00 0.41 0.00 0.00 41.25 41.53 2nnx s ASN 86 CO 0.00 0.04 0.24 0.68 -1.51 0.00 0.00 177.10 176.55 2nnx s VAL 87 N -0.70 4.92 -0.24 1.60 -7.23 -0.12 -4.89 120.40 113.73 2nnx s VAL 87 Ca 0.01 -0.99 -0.01 0.00 -1.81 0.00 0.00 61.98 59.17 2nnx s VAL 87 Cb -0.07 -3.58 0.03 0.00 0.56 0.00 0.00 36.38 33.32 2nnx s VAL 87 CO 0.01 -0.20 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.63 2nnx s THR 88 N -1.87 2.76 -0.01 5.32 2.01 -1.26 -0.65 115.64 121.93 2nnx s THR 88 Ca 0.33 -1.03 -0.21 0.00 0.31 0.00 0.00 61.69 61.10 2nnx s THR 88 Cb -0.10 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 2nnx s THR 88 CO 0.27 0.24 0.60 0.00 -0.69 0.00 0.00 174.62 175.03 2nnx s ALA 89 N 1.31 3.48 1.13 7.40 0.00 -0.39 -4.03 121.76 130.65 2nnx s ALA 89 Ca 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 51.96 51.85 2nnx s ALA 89 Cb -0.16 -2.76 0.20 0.00 0.00 0.00 0.00 23.12 20.41 2nnx s ALA 89 CO -0.05 0.14 0.85 -0.40 0.00 0.00 0.00 175.76 176.30 2nnx n ASP 90 N 2.82 -1.23 -0.12 0.00 5.68 0.66 -1.35 116.55 123.01 2nnx n ASP 90 Ca -0.06 -1.10 0.10 0.00 -0.50 0.00 0.00 54.79 53.23 2nnx n ASP 90 Cb 0.51 -0.73 0.45 0.00 -1.14 0.00 0.00 41.12 40.20 2nnx n ASP 90 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2nnx h LYS 91 N 0.00 0.52 -0.00 0.11 3.64 -1.96 0.27 116.57 119.15 2nnx h LYS 91 Ca -0.30 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2nnx h LYS 91 Cb 0.90 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2nnx h LYS 91 CO 0.20 0.34 -0.00 -0.25 -2.27 0.00 0.00 179.45 177.47 2nnx n ASP 92 N -4.48 0.05 0.00 4.20 8.00 -1.26 -4.76 116.55 118.29 2nnx n ASP 92 Ca 0.10 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.88 2nnx n ASP 92 Cb 0.32 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 2nnx n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nnx n GLY 93 N 1.11 0.74 3.65 0.44 0.00 0.08 -4.70 105.19 106.51 2nnx n GLY 93 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2nnx n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nnx s VAL 94 N -2.32 5.12 -0.33 1.61 1.01 -1.26 -2.25 120.40 121.98 2nnx s VAL 94 Ca 0.00 0.86 -0.12 0.00 0.00 0.00 0.00 61.98 62.72 2nnx s VAL 94 Cb 0.00 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 2nnx s VAL 94 CO 0.00 0.17 0.21 0.00 0.00 0.00 0.00 175.10 175.48 2nnx s ALA 95 N 1.76 3.43 -0.22 5.51 0.00 0.12 -0.25 121.76 132.11 2nnx s ALA 95 Ca 0.22 -1.38 -0.25 0.00 0.00 0.00 0.00 51.96 50.54 2nnx s ALA 95 Cb -0.15 -2.57 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 2nnx s ALA 95 CO 0.09 -0.95 0.85 -0.51 0.00 0.00 0.00 175.76 175.24 2nnx s ASP 96 N 1.69 6.89 -0.20 0.00 1.01 -1.26 -1.36 116.67 123.44 2nnx s ASP 96 Ca 0.06 1.11 -0.10 0.00 0.71 0.00 0.00 52.55 54.32 2nnx s ASP 96 Cb -0.17 -2.45 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 2nnx s ASP 96 CO 0.09 -0.50 0.14 -0.69 0.21 0.00 0.00 175.17 174.42 2nnx s VAL 97 N 2.69 5.41 -0.30 -1.27 1.01 0.63 -4.74 120.40 123.84 2nnx s VAL 97 Ca 0.37 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.57 2nnx s VAL 97 Cb -0.16 -3.48 0.15 0.00 0.00 0.00 0.00 36.38 32.90 2nnx s VAL 97 CO 0.08 0.44 0.38 -0.55 0.00 0.00 0.00 175.10 175.46 2nnx s SER 98 N 0.34 0.74 0.03 3.32 0.15 -1.25 -2.12 113.70 114.91 2nnx s SER 98 Ca 0.08 -0.58 0.07 0.00 0.70 0.00 0.00 55.95 56.22 2nnx s SER 98 Cb -0.11 0.93 -0.02 0.00 -1.71 0.00 0.00 66.02 65.11 2nnx s SER 98 CO -0.02 -0.35 -0.20 -0.63 1.20 0.00 0.00 173.24 173.24 2nnx s ILE 99 N 2.40 1.61 -0.08 6.45 1.01 0.75 -5.01 121.20 128.34 2nnx s ILE 99 Ca 0.10 -1.10 0.03 0.00 0.00 0.00 0.00 60.65 59.68 2nnx s ILE 99 Cb -0.13 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 2nnx s ILE 99 CO -0.29 0.26 -0.16 -0.70 0.00 0.00 0.00 174.94 174.05 2nnx s GLU 100 N -0.99 2.82 -0.00 2.79 2.12 -1.26 -0.49 118.70 123.69 2nnx s GLU 100 Ca 0.07 -0.74 -0.00 0.00 0.36 0.00 0.00 54.97 54.66 2nnx s GLU 100 Cb -0.08 -2.41 0.00 0.00 0.26 0.00 0.00 34.13 31.89 2nnx s GLU 100 CO 0.01 0.42 0.00 0.34 -0.54 0.00 0.00 175.26 175.50 2nnx s ASP 101 N -0.22 -0.00 0.00 -1.70 2.15 -0.03 -4.95 116.67 111.91 2nnx s ASP 101 Ca -0.00 0.00 0.12 0.00 0.43 0.00 0.00 52.55 53.10 2nnx s ASP 101 Cb -0.13 0.01 0.12 0.00 -0.30 0.00 0.00 42.92 42.62 2nnx s ASP 101 CO 0.03 -0.01 0.93 -1.20 -0.17 0.00 0.00 175.17 174.76 2nnx n SER 102 N 3.06 2.14 -0.13 -0.34 7.64 -1.26 0.11 113.62 124.83 2nnx n SER 102 Ca -0.12 -1.57 -0.26 0.00 1.01 0.00 0.00 58.87 57.93 2nnx n SER 102 Cb 0.60 -0.03 -0.11 0.00 -1.01 0.00 0.00 64.21 63.66 2nnx n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2nnx n VAL 103 N 0.68 1.53 -0.86 0.44 0.31 -1.26 -4.88 118.33 114.30 2nnx n VAL 103 Ca 0.08 -0.39 -0.30 0.00 -0.01 0.00 0.00 64.34 63.71 2nnx n VAL 103 Cb 0.32 -1.80 0.16 0.00 -0.91 0.00 0.00 33.84 31.61 2nnx n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2nnx s ILE 104 N -2.50 2.41 0.20 2.52 -4.36 -1.26 -4.93 121.20 113.28 2nnx s ILE 104 Ca -0.36 0.13 -0.13 0.00 -0.26 0.00 0.00 60.65 60.03 2nnx s ILE 104 Cb 0.12 -2.32 0.00 0.00 1.25 0.00 0.00 42.46 41.51 2nnx s ILE 104 CO 0.54 -0.17 0.41 -0.55 0.24 0.00 0.00 174.94 175.41 2nnx s SER 105 N -2.91 -0.09 -0.03 4.36 0.15 -0.89 -4.73 113.70 109.57 2nnx s SER 105 Ca 0.65 -0.76 0.14 0.00 0.70 0.00 0.00 55.95 56.68 2nnx s SER 105 Cb -0.21 0.52 0.42 0.00 -1.71 0.00 0.00 66.02 65.04 2nnx s SER 105 CO 0.58 -1.01 1.35 0.18 1.20 0.00 0.00 173.24 175.55 2nnx n LEU 106 N -0.30 3.36 -3.76 3.45 4.77 -1.26 -1.44 117.00 121.82 2nnx n LEU 106 Ca -0.07 -2.17 -0.09 0.00 -0.03 0.00 0.00 56.01 53.65 2nnx n LEU 106 Cb 0.63 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 2nnx n LEU 106 CO 0.21 0.77 0.31 -0.94 -1.33 0.00 0.00 177.39 176.41 2nnx s SER 107 N -1.11 -0.27 0.00 -1.43 1.04 -1.26 -3.59 113.70 107.08 2nnx s SER 107 Ca 0.32 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.24 2nnx s SER 107 Cb 0.19 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.91 2nnx s SER 107 CO 0.18 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2nnx n GLY 108 N -0.37 -1.72 0.26 7.32 0.00 -1.26 -3.67 105.19 105.75 2nnx n GLY 108 Ca -0.09 -1.46 0.15 0.00 0.00 0.00 0.00 46.02 44.63 2nnx n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nnx h ASP 109 N 0.00 0.00 -0.40 1.61 3.32 -2.02 -2.86 116.42 116.07 2nnx h ASP 109 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 2nnx h ASP 109 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 2nnx h ASP 109 CO 0.00 0.00 0.03 1.41 -1.72 0.00 0.00 179.24 178.96 2nnx n HIS 110 N -3.09 1.29 -1.80 4.55 8.25 -1.26 -4.97 115.22 118.18 2nnx n HIS 110 Ca 0.02 -1.39 -0.42 0.00 -0.26 0.00 0.00 57.72 55.67 2nnx n HIS 110 Cb 0.38 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 30.98 2nnx n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2nnx n ILE 112 N 4.10 0.00 -1.86 0.00 -5.35 -0.52 -4.92 119.36 110.81 2nnx n ILE 112 Ca 0.16 -0.47 -0.41 0.00 -0.27 0.00 0.00 62.75 61.75 2nnx n ILE 112 Cb 0.37 1.46 -0.02 0.00 -1.74 0.00 0.00 39.64 39.71 2nnx n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2nnx s ILE 113 N -2.02 2.26 0.00 7.28 1.01 -1.26 -1.88 121.20 126.59 2nnx s ILE 113 Ca 0.26 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.14 2nnx s ILE 113 Cb 0.19 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.52 2nnx s ILE 113 CO 0.33 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.91 2nnx n GLY 114 N 2.06 0.59 2.60 6.18 0.00 0.14 -4.99 105.19 111.78 2nnx n GLY 114 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 2nnx n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nnx n ARG 115 N -2.65 0.94 -4.37 1.61 1.74 -0.79 -2.25 116.66 110.88 2nnx n ARG 115 Ca 0.00 -2.36 -0.34 0.00 -0.77 0.00 0.00 57.85 54.38 2nnx n ARG 115 Cb 0.02 0.26 -0.13 0.00 -1.02 0.00 0.00 32.46 31.58 2nnx n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2nnx s THR 116 N -1.87 3.53 -0.06 0.55 2.01 -1.11 -0.46 115.64 118.23 2nnx s THR 116 Ca 0.21 -0.47 -0.13 0.00 0.31 0.00 0.00 61.69 61.60 2nnx s THR 116 Cb -0.02 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.89 2nnx s THR 116 CO 0.13 0.48 0.33 -0.22 -0.69 0.00 0.00 174.62 174.66 2nnx s LEU 117 N 0.67 4.40 0.00 4.42 2.96 -0.72 0.27 118.68 130.68 2nnx s LEU 117 Ca -0.03 0.76 0.00 0.00 -0.22 0.00 0.00 54.13 54.64 2nnx s LEU 117 Cb -0.15 -2.44 -0.00 0.00 0.50 0.00 0.00 46.19 44.09 2nnx s LEU 117 CO 0.02 0.28 -0.02 0.54 -1.32 0.00 0.00 176.35 175.85 2nnx s VAL 118 N -0.65 0.10 -0.01 1.68 0.11 0.30 -2.34 120.40 119.60 2nnx s VAL 118 Ca 0.21 -0.18 0.05 0.00 -2.93 0.00 0.00 61.98 59.12 2nnx s VAL 118 Cb -0.15 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.55 2nnx s VAL 118 CO 0.09 -0.05 -0.14 0.54 -3.33 0.00 0.00 175.10 172.21 2nnx s VAL 119 N -0.24 3.11 0.37 2.04 0.11 -0.68 -1.59 120.40 123.52 2nnx s VAL 119 Ca -0.02 -0.90 0.08 0.00 -2.93 0.00 0.00 61.98 58.21 2nnx s VAL 119 Cb -0.02 -2.28 -0.03 0.00 -1.53 0.00 0.00 36.38 32.52 2nnx s VAL 119 CO -0.00 0.46 0.25 -1.00 -3.33 0.00 0.00 175.10 171.48 2nnx s HIS 120 N -0.86 2.74 0.13 1.54 3.76 0.71 -0.68 115.29 122.64 2nnx s HIS 120 Ca 0.14 -0.42 -0.17 0.00 -0.15 0.00 0.00 55.06 54.46 2nnx s HIS 120 Cb -0.11 -1.88 -0.01 0.00 1.11 0.00 0.00 32.58 31.70 2nnx s HIS 120 CO 0.04 0.15 1.72 1.49 -0.85 0.00 0.00 174.74 177.28 2nnx h GLU 121 N 1.31 0.53 0.00 1.40 4.81 -0.21 -3.38 114.58 119.04 2nnx h GLU 121 Ca -0.43 -0.07 -0.37 0.00 -0.13 0.00 0.00 59.36 58.35 2nnx h GLU 121 Cb 1.26 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.46 2nnx h GLU 121 CO 0.61 0.47 -0.31 0.36 -0.73 0.00 0.00 179.01 179.40 2nnx n LYS 122 N -4.72 0.68 -2.28 1.92 2.85 -0.58 -4.90 118.16 111.12 2nnx n LYS 122 Ca -0.00 -2.33 -0.38 0.00 -1.05 0.00 0.00 58.31 54.55 2nnx n LYS 122 Cb 0.10 1.30 -0.02 0.00 -0.65 0.00 0.00 35.03 35.76 2nnx n LYS 122 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2nnx s ALA 123 N -2.76 3.14 -0.22 0.58 0.00 -1.07 -1.33 121.76 120.11 2nnx s ALA 123 Ca 0.15 0.97 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 2nnx s ALA 123 Cb 0.01 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 2nnx s ALA 123 CO 0.10 -0.55 1.27 0.34 0.00 0.00 0.00 175.76 176.92 2nnx s ASP 124 N -1.14 6.84 0.00 0.00 -1.08 -1.26 -3.93 116.67 116.10 2nnx s ASP 124 Ca 0.58 1.49 0.23 0.00 -0.52 0.00 0.00 52.55 54.33 2nnx s ASP 124 Cb -0.31 -2.54 1.37 0.00 -1.46 0.00 0.00 42.92 39.99 2nnx s ASP 124 CO 0.39 -0.88 1.83 -0.90 0.52 0.00 0.00 175.17 176.12 2nnx n ASP 125 N 7.00 0.00 -2.03 -0.34 5.68 -0.36 -4.89 116.55 121.60 2nnx n ASP 125 Ca 0.14 -1.09 -0.17 0.00 -0.50 0.00 0.00 54.79 53.17 2nnx n ASP 125 Cb 0.46 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.43 2nnx n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2nnx n LEU 126 N -0.90 -1.87 -1.20 -2.12 4.77 -1.26 -1.94 117.00 112.48 2nnx n LEU 126 Ca 0.17 -0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 2nnx n LEU 126 Cb 0.08 -2.51 -0.02 0.00 -2.33 0.00 0.00 43.42 38.63 2nnx n LEU 126 CO 0.13 -0.13 -0.14 0.61 -1.33 0.00 0.00 177.39 176.53 2nnx n GLY 127 N -1.06 0.42 0.34 -0.72 0.00 -1.24 -3.34 105.19 99.58 2nnx n GLY 127 Ca -0.19 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.49 2nnx n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nnx n LYS 128 N -2.35 1.34 0.16 1.61 5.02 -0.82 -4.75 118.16 118.39 2nnx n LYS 128 Ca -0.13 -2.82 0.07 0.00 -2.02 0.00 0.00 58.31 53.40 2nnx n LYS 128 Cb 0.53 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 34.13 2nnx n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2nnx h GLY 129 N 0.44 0.00 0.00 0.72 0.00 -1.91 -3.48 103.07 98.84 2nnx h GLY 129 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2nnx h GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2nnx n GLY 130 N 1.18 0.60 3.72 4.60 0.00 -1.26 -5.05 105.19 108.97 2nnx n GLY 130 Ca 0.02 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2nnx n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nnx s ASN 131 N -2.18 3.84 0.09 1.61 2.20 -1.26 -5.08 114.94 114.16 2nnx s ASN 131 Ca 0.00 -1.72 -0.13 0.00 -0.94 0.00 0.00 52.86 50.07 2nnx s ASN 131 Cb 0.00 0.68 -0.18 0.00 -2.00 0.00 0.00 41.25 39.75 2nnx s ASN 131 CO 0.00 -0.95 1.26 -0.08 -2.94 0.00 0.00 177.10 174.39 2nnx h GLU 132 N 1.39 0.75 0.00 3.55 4.81 -2.01 -3.23 114.58 119.84 2nnx h GLU 132 Ca -0.41 -0.69 -0.03 0.00 -0.13 0.00 0.00 59.36 58.10 2nnx h GLU 132 Cb 1.32 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.86 2nnx h GLU 132 CO 0.68 1.28 -0.14 0.93 -0.73 0.00 0.00 179.01 181.02 2nnx h GLU 133 N 0.48 0.00 -0.92 1.92 4.39 -1.99 -2.06 114.58 116.39 2nnx h GLU 133 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2nnx h GLU 133 Cb 1.52 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.13 2nnx h GLU 133 CO 0.18 0.14 0.58 1.03 -1.16 0.00 0.00 179.01 179.78 2nnx h SER 134 N 0.00 1.09 0.74 1.42 0.87 -1.91 0.81 113.55 116.57 2nnx h SER 134 Ca -0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2nnx h SER 134 Cb 0.37 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2nnx h SER 134 CO 0.02 0.82 0.00 0.74 -0.53 0.00 0.00 176.83 177.87 2nnx h THR 135 N 1.26 0.00 0.00 2.23 2.02 -1.47 -2.95 112.91 114.00 2nnx h THR 135 Ca 0.33 -0.28 -0.23 0.00 0.77 0.00 0.00 66.41 67.01 2nnx h THR 135 Cb -0.09 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 2nnx h THR 135 CO -0.07 0.00 -1.66 0.29 0.37 0.00 0.00 175.52 174.45 2nnx n LYS 136 N -2.46 0.43 0.00 6.66 5.02 -0.93 -0.72 118.16 126.17 2nnx n LYS 136 Ca 0.01 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 2nnx n LYS 136 Cb 0.23 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2nnx n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2nnx n THR 137 N -4.06 0.00 -0.50 -0.18 -2.24 0.23 -4.54 114.28 102.99 2nnx n THR 137 Ca -0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2nnx n THR 137 Cb 0.65 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 2nnx n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nnx n GLY 138 N 1.84 0.71 4.06 3.38 0.00 -0.95 -4.42 105.19 109.82 2nnx n GLY 138 Ca 0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 2nnx n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2nnx n ASN 139 N 0.66 0.04 -0.80 1.61 3.02 -1.26 -1.23 115.26 117.31 2nnx n ASN 139 Ca 0.00 -1.09 0.09 0.00 -0.03 0.00 0.00 54.58 53.56 2nnx n ASN 139 Cb 0.00 -2.62 0.27 0.00 -0.61 0.00 0.00 39.78 36.82 2nnx n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2nnx n ALA 140 N -4.45 2.46 -0.67 5.41 0.00 -1.25 -4.72 120.51 117.28 2nnx n ALA 140 Ca -0.31 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.39 2nnx n ALA 140 Cb 0.69 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2nnx n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nnx n GLY 141 N 1.25 0.73 3.84 0.00 0.00 -1.26 -1.53 105.19 108.21 2nnx n GLY 141 Ca 0.16 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 2nnx n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nnx s SER 142 N -4.00 5.60 -0.08 1.61 1.04 -1.26 -4.65 113.70 111.96 2nnx s SER 142 Ca 0.00 1.52 -0.23 0.00 0.48 0.00 0.00 55.95 57.72 2nnx s SER 142 Cb 0.00 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 2nnx s SER 142 CO 0.00 -1.29 0.68 -0.13 0.98 0.00 0.00 173.24 173.48 2nnx s ARG 143 N -5.11 4.41 -0.22 4.02 0.52 -1.26 0.12 118.95 121.43 2nnx s ARG 143 Ca 0.57 0.83 0.11 0.00 -0.52 0.00 0.00 55.73 56.73 2nnx s ARG 143 Cb -0.13 -3.46 -0.22 0.00 0.52 0.00 0.00 34.95 31.66 2nnx s ARG 143 CO 0.55 0.04 -0.03 1.28 0.02 0.00 0.00 175.30 177.15 2nnx n LEU 144 N 3.89 1.23 -3.52 2.53 4.77 0.14 -4.91 117.00 121.13 2nnx n LEU 144 Ca -0.02 -0.04 -0.17 0.00 -0.03 0.00 0.00 56.01 55.75 2nnx n LEU 144 Cb 0.51 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 2nnx n LEU 144 CO 0.47 0.68 0.47 0.00 -1.33 0.00 0.00 177.39 177.67 2nnx s ALA 145 N -2.50 -1.78 0.26 -1.18 0.00 -1.21 -3.96 121.76 111.38 2nnx s ALA 145 Ca -0.20 1.31 -0.18 0.00 0.00 0.00 0.00 51.96 52.89 2nnx s ALA 145 Cb 0.07 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.18 2nnx s ALA 145 CO 0.74 -0.38 0.62 0.00 0.00 0.00 0.00 175.76 176.74 2nnx s GLY 147 N -2.93 -0.41 0.09 0.00 0.00 -0.99 -2.09 107.32 100.98 2nnx s GLY 147 Ca 0.14 1.19 -0.28 0.00 0.00 0.00 0.00 44.72 45.77 2nnx s GLY 147 CO 0.06 0.39 0.87 0.14 0.00 0.00 0.00 173.10 174.56 2nnx s VAL 148 N -2.91 4.58 -0.30 1.40 1.01 -1.26 -1.75 120.40 121.17 2nnx s VAL 148 Ca 0.06 1.86 -0.29 0.00 0.00 0.00 0.00 61.98 63.62 2nnx s VAL 148 Cb -0.01 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.16 2nnx s VAL 148 CO -0.08 0.35 1.12 -0.63 0.00 0.00 0.00 175.10 175.86 2nnx s ILE 149 N -0.12 4.45 0.19 2.22 1.01 0.39 -4.55 121.20 124.78 2nnx s ILE 149 Ca 0.43 1.68 0.08 0.00 0.00 0.00 0.00 60.65 62.83 2nnx s ILE 149 Cb -0.22 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 37.85 2nnx s ILE 149 CO 0.27 -0.45 -0.03 -0.83 0.00 0.00 0.00 174.94 173.90 2nnx s GLY 150 N 1.82 1.72 0.27 6.18 0.00 -0.26 0.27 107.32 117.31 2nnx s GLY 150 Ca 0.47 -1.43 -0.31 0.00 0.00 0.00 0.00 44.72 43.45 2nnx s GLY 150 CO 0.16 -1.46 1.60 1.39 0.00 0.00 0.00 173.10 174.80 2nnx n ILE 151 N -0.17 0.77 -4.42 0.90 5.41 -1.26 0.33 119.36 120.93 2nnx n ILE 151 Ca -0.10 -0.19 -0.26 0.00 1.00 0.00 0.00 62.75 63.20 2nnx n ILE 151 Cb 0.56 -1.91 -0.11 0.00 -0.71 0.00 0.00 39.64 37.47 2nnx n ILE 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2nnx s ALA 152 N 0.26 2.62 -2.00 -1.39 0.00 -0.87 -4.74 121.76 115.64 2nnx s ALA 152 Ca 0.67 -1.67 0.17 0.00 0.00 0.00 0.00 51.96 51.13 2nnx s ALA 152 Cb -0.52 -0.36 1.01 0.00 0.00 0.00 0.00 23.12 23.26 2nnx s ALA 152 CO 0.45 0.40 1.42 0.94 0.00 0.00 0.00 175.76 178.97