#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0h n GLU 28 N 0.00 0.37 -2.19 0.00 -0.58 -1.26 -4.62 120.64 112.36 3a0h n GLU 28 Ca 0.00 0.11 -0.43 0.00 -0.42 0.00 0.00 57.16 56.43 3a0h n GLU 28 Cb 0.00 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 3a0h n GLU 28 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3a0h n LEU 29 N -3.23 6.03 -4.73 -4.62 7.94 -1.26 -4.95 117.00 112.17 3a0h n LEU 29 Ca -0.29 -4.14 -0.29 0.00 -1.11 0.00 0.00 56.01 50.18 3a0h n LEU 29 Cb 0.77 -1.67 0.14 0.00 0.53 0.00 0.00 43.42 43.19 3a0h n LEU 29 CO 0.11 0.77 0.67 0.42 -1.11 0.00 0.00 177.39 178.24 3a0h s THR 30 N 3.14 2.40 0.10 1.96 -4.23 -1.26 -4.91 115.64 112.83 3a0h s THR 30 Ca 0.48 0.13 -0.32 0.00 -1.18 0.00 0.00 61.69 60.81 3a0h s THR 30 Cb 0.09 -2.70 -0.13 0.00 1.34 0.00 0.00 72.50 71.09 3a0h s THR 30 CO -0.01 -0.17 1.60 -0.65 -0.54 0.00 0.00 174.62 174.85 3a0h h PRO 31 N -1.59 -0.73 0.00 3.99 0.11 -1.94 -2.44 132.00 129.39 3a0h h PRO 31 Ca -0.51 0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 3a0h h PRO 31 Cb 1.31 0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.56 3a0h h PRO 31 CO 0.58 -0.49 -0.62 1.05 -0.21 0.00 0.00 178.00 178.31 3a0h h GLU 32 N -0.76 0.00 0.00 1.05 9.09 -1.95 -1.46 114.58 120.56 3a0h h GLU 32 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.39 3a0h h GLU 32 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 3a0h h GLU 32 CO -0.10 0.62 0.00 0.28 0.05 0.00 0.00 179.01 179.87 3a0h n VAL 33 N -3.57 1.03 0.10 -1.06 0.31 -1.19 0.73 118.33 114.68 3a0h n VAL 33 Ca -0.00 0.29 0.07 0.00 -0.01 0.00 0.00 64.34 64.69 3a0h n VAL 33 Cb 0.67 -1.14 0.14 0.00 -0.91 0.00 0.00 33.84 32.61 3a0h n VAL 33 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3a0h n LEU 34 N -1.79 2.80 -4.70 7.52 0.00 -0.61 -4.92 117.00 115.29 3a0h n LEU 34 Ca 0.02 -1.60 -0.36 0.00 0.00 0.00 0.00 56.01 54.08 3a0h n LEU 34 Cb 0.17 -0.18 -0.08 0.00 0.00 0.00 0.00 43.42 43.32 3a0h n LEU 34 CO 0.14 0.64 -0.14 -0.89 0.00 0.00 0.00 177.39 177.14 3a0h s THR 35 N -1.08 5.36 0.11 1.96 2.01 0.22 -3.72 115.64 120.51 3a0h s THR 35 Ca 0.25 0.26 -0.01 0.00 0.31 0.00 0.00 61.69 62.50 3a0h s THR 35 Cb 0.14 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 3a0h s THR 35 CO 0.19 0.38 0.03 0.68 -0.69 0.00 0.00 174.62 175.21 3a0h s VAL 36 N 0.71 0.17 0.22 3.82 -7.23 -1.26 -4.84 120.40 112.00 3a0h s VAL 36 Ca 0.10 -1.88 -0.32 0.00 -1.81 0.00 0.00 61.98 58.06 3a0h s VAL 36 Cb -0.12 -1.88 -0.12 0.00 0.56 0.00 0.00 36.38 34.81 3a0h s VAL 36 CO 0.02 -0.63 1.68 -0.81 -0.31 0.00 0.00 175.10 175.04 3a0h n PRO 37 N -0.04 2.70 -0.03 4.82 -0.04 -1.26 -2.61 135.00 138.55 3a0h n PRO 37 Ca -0.08 0.97 -0.02 0.00 -0.04 0.00 0.00 63.50 64.33 3a0h n PRO 37 Cb 0.63 -2.80 -0.01 0.00 -0.04 0.00 0.00 33.50 31.29 3a0h n PRO 37 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3a0h n LEU 38 N 3.51 0.65 -4.81 1.53 7.94 0.11 -1.04 117.00 124.88 3a0h n LEU 38 Ca 0.14 0.30 -0.25 0.00 -1.11 0.00 0.00 56.01 55.09 3a0h n LEU 38 Cb 0.35 -0.62 -0.05 0.00 0.53 0.00 0.00 43.42 43.63 3a0h n LEU 38 CO 0.64 -0.47 -0.20 0.21 -1.11 0.00 0.00 177.39 176.46 3a0h s ASN 39 N -4.41 5.55 0.00 1.96 3.04 -1.19 -1.93 114.94 117.96 3a0h s ASN 39 Ca -0.07 -0.16 0.03 0.00 0.04 0.00 0.00 52.86 52.70 3a0h s ASN 39 Cb 0.01 -1.44 0.16 0.00 -1.54 0.00 0.00 41.25 38.44 3a0h s ASN 39 CO 0.10 0.03 0.76 -1.54 -3.04 0.00 0.00 177.10 173.41 3a0h n SER 40 N -0.63 0.00 -0.76 -4.21 3.41 -1.26 -1.09 113.62 109.08 3a0h n SER 40 Ca -0.08 0.04 0.11 0.00 -0.26 0.00 0.00 58.87 58.68 3a0h n SER 40 Cb 0.56 -0.12 0.07 0.00 -0.26 0.00 0.00 64.21 64.46 3a0h n SER 40 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a0h n GLU 41 N -1.12 1.85 0.00 4.33 1.02 -1.26 -5.03 120.64 120.44 3a0h n GLU 41 Ca 0.02 -1.57 0.00 0.00 -0.02 0.00 0.00 57.16 55.59 3a0h n GLU 41 Cb 0.02 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 3a0h n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a0h n GLY 42 N 1.26 2.21 3.60 0.62 0.00 -0.25 -5.08 105.19 107.55 3a0h n GLY 42 Ca 0.12 -0.54 -0.48 0.00 0.00 0.00 0.00 46.02 45.12 3a0h n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3a0h n LYS 43 N 0.00 1.38 -4.63 1.61 4.81 -1.26 -4.68 118.16 115.40 3a0h n LYS 43 Ca 0.00 0.49 -0.33 0.00 -0.87 0.00 0.00 58.31 57.60 3a0h n LYS 43 Cb 0.00 -2.02 -0.12 0.00 0.02 0.00 0.00 35.03 32.90 3a0h n LYS 43 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3a0h s THR 44 N -0.19 3.54 -2.80 3.15 -4.23 -1.26 0.05 115.64 113.90 3a0h s THR 44 Ca 0.71 -0.51 0.25 0.00 -1.18 0.00 0.00 61.69 60.97 3a0h s THR 44 Cb -0.80 -2.48 0.31 0.00 1.34 0.00 0.00 72.50 70.87 3a0h s THR 44 CO 0.52 0.55 1.43 -0.38 -0.54 0.00 0.00 174.62 176.20 3a0h n ILE 45 N 2.89 0.00 -1.59 2.99 -0.00 -1.07 -4.91 119.36 117.67 3a0h n ILE 45 Ca -0.18 -0.41 0.00 0.00 -0.00 0.00 0.00 62.75 62.17 3a0h n ILE 45 Cb 0.53 1.14 0.00 0.00 -0.00 0.00 0.00 39.64 41.31 3a0h n ILE 45 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 3a0h n THR 46 N 0.91 0.00 -1.60 1.39 -2.24 -1.26 -4.91 114.28 106.57 3a0h n THR 46 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 3a0h n THR 46 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3a0h n THR 46 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3a0h n LEU 47 N 0.00 0.00 -4.45 3.22 7.94 -1.24 -4.36 117.00 118.11 3a0h n LEU 47 Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.68 3a0h n LEU 47 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 3a0h n LEU 47 CO 0.00 0.00 -0.33 0.42 -1.11 0.00 0.00 177.39 176.37 3a0h s THR 48 N -2.45 1.54 0.04 1.96 -4.23 -1.26 -4.97 115.64 106.26 3a0h s THR 48 Ca 0.00 -2.08 0.18 0.00 -1.18 0.00 0.00 61.69 58.61 3a0h s THR 48 Cb 0.00 -2.60 0.11 0.00 1.34 0.00 0.00 72.50 71.35 3a0h s THR 48 CO 0.00 -0.19 1.62 -0.08 -0.54 0.00 0.00 174.62 175.43 3a0h h GLU 49 N 2.19 0.00 0.48 3.99 4.81 -1.99 -2.56 114.58 121.49 3a0h h GLU 49 Ca -0.41 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.80 3a0h h GLU 49 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3a0h h GLU 49 CO 0.69 0.43 -0.23 0.87 -0.73 0.00 0.00 179.01 180.04 3a0h h LYS 50 N 0.00 -0.62 -0.24 1.92 1.79 -2.00 -2.44 116.57 114.99 3a0h h LYS 50 Ca -0.00 0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.56 3a0h h LYS 50 Cb 1.10 0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 31.83 3a0h h LYS 50 CO 0.06 -0.41 -0.13 1.96 -1.08 0.00 0.00 179.45 179.85 3a0h h GLN 51 N -0.95 -0.10 -0.58 3.15 4.20 -1.98 -1.86 115.11 116.99 3a0h h GLN 51 Ca -0.07 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.76 3a0h h GLN 51 Cb 0.49 0.02 -0.11 0.00 0.30 0.00 0.00 27.48 28.18 3a0h h GLN 51 CO 0.11 -0.07 -0.25 -0.92 -0.67 0.00 0.00 178.83 177.03 3a0h h TYR 52 N -0.10 -0.65 0.04 2.96 3.20 -1.54 0.54 116.97 121.42 3a0h h TYR 52 Ca 0.13 0.06 0.03 0.00 3.14 0.00 0.00 58.73 62.09 3a0h h TYR 52 Cb 0.30 0.37 -0.05 0.00 1.54 0.00 0.00 36.73 38.89 3a0h h TYR 52 CO -0.30 -0.33 -0.42 -0.07 -1.64 0.00 0.00 178.16 175.40 3a0h h LEU 53 N -0.10 -1.27 -1.75 2.82 3.38 -0.84 0.43 115.31 117.98 3a0h h LEU 53 Ca 0.26 0.15 0.27 0.00 0.09 0.00 0.00 57.88 58.65 3a0h h LEU 53 Cb 0.51 0.49 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 3a0h h LEU 53 CO -0.65 -0.47 0.70 -0.33 0.09 0.00 0.00 178.44 177.78 3a0h h GLU 54 N -0.60 0.16 0.38 1.13 4.39 -0.74 0.45 114.58 119.75 3a0h h GLU 54 Ca 0.04 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 3a0h h GLU 54 Cb 0.66 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 3a0h h GLU 54 CO -0.29 0.11 -0.32 0.78 -1.16 0.00 0.00 179.01 178.13 3a0h h GLY 55 N 0.17 -0.77 0.37 -3.84 0.00 0.20 0.85 103.07 100.06 3a0h h GLY 55 Ca 0.51 0.36 -0.01 0.00 0.00 0.00 0.00 47.33 48.19 3a0h h GLY 55 CO -0.11 -0.28 -0.29 1.70 0.00 0.00 0.00 176.54 177.56 3a0h h LYS 56 N -0.70 -0.61 -0.99 4.80 3.64 0.77 0.52 116.57 123.99 3a0h h LYS 56 Ca -0.03 0.04 0.26 0.00 -1.27 0.00 0.00 60.65 59.65 3a0h h LYS 56 Cb 0.62 0.14 -0.19 0.00 -0.41 0.00 0.00 32.23 32.39 3a0h h LYS 56 CO -0.02 -0.41 -0.04 -0.09 -2.27 0.00 0.00 179.45 176.62 3a0h h ARG 57 N -0.64 0.00 0.00 1.90 2.43 -1.00 -2.38 114.38 114.70 3a0h h ARG 57 Ca -0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3a0h h ARG 57 Cb 0.53 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3a0h h ARG 57 CO 0.01 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.75 3a0h n LEU 58 N -5.53 0.64 -0.04 3.80 7.99 0.30 -2.09 117.00 122.07 3a0h n LEU 58 Ca 0.22 0.51 0.01 0.00 -0.01 0.00 0.00 56.01 56.73 3a0h n LEU 58 Cb 0.70 -0.17 0.03 0.00 -0.11 0.00 0.00 43.42 43.87 3a0h n LEU 58 CO -0.08 -0.17 0.09 0.33 -1.51 0.00 0.00 177.39 176.05 3a0h n PHE 59 N -1.00 0.06 0.04 -1.77 -0.00 0.18 0.33 117.46 115.30 3a0h n PHE 59 Ca 0.00 0.15 -0.17 0.00 -0.00 0.00 0.00 57.45 57.43 3a0h n PHE 59 Cb 0.00 -0.58 -0.07 0.00 -0.00 0.00 0.00 39.48 38.83 3a0h n PHE 59 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 3a0h h GLN 60 N 0.00 0.60 0.09 -4.13 4.20 -1.55 -2.63 115.11 111.69 3a0h h GLN 60 Ca 0.06 -0.60 -0.28 0.00 0.06 0.00 0.00 58.65 57.89 3a0h h GLN 60 Cb 0.12 0.16 0.02 0.00 0.30 0.00 0.00 27.48 28.08 3a0h h GLN 60 CO -0.12 1.21 -1.18 -0.92 -0.67 0.00 0.00 178.83 177.16 3a0h h TYR 61 N 0.35 0.85 0.00 2.96 3.20 0.60 -2.33 116.97 122.60 3a0h h TYR 61 Ca -0.09 -0.53 0.00 0.00 3.14 0.00 0.00 58.73 61.25 3a0h h TYR 61 Cb 1.58 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.78 3a0h h TYR 61 CO 0.08 1.37 0.00 0.00 -1.64 0.00 0.00 178.16 177.98 3a0h n ALA 62 N -2.63 1.38 0.00 1.82 0.00 0.16 -4.85 120.51 116.40 3a0h n ALA 62 Ca -0.11 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3a0h n ALA 62 Cb 0.96 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 19.19 3a0h n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a0h n ALA 64 N 2.56 2.71 -0.23 0.00 0.00 -1.19 -4.53 120.51 119.84 3a0h n ALA 64 Ca 0.00 -1.39 -0.06 0.00 0.00 0.00 0.00 53.44 51.99 3a0h n ALA 64 Cb 0.00 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 18.51 3a0h n ALA 64 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3a0h h SER 65 N 4.11 0.75 0.31 0.00 4.64 -1.92 1.87 113.55 123.32 3a0h h SER 65 Ca 0.00 -0.05 -0.33 0.00 -0.47 0.00 0.00 61.79 60.94 3a0h h SER 65 Cb 1.18 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3a0h h SER 65 CO 0.11 0.57 -1.68 0.00 -0.87 0.00 0.00 176.83 174.96 3a0h n HIS 67 N -3.49 0.71 -1.90 0.00 -0.00 -0.16 -2.02 115.22 108.35 3a0h n HIS 67 Ca -0.21 -0.33 -0.38 0.00 -0.00 0.00 0.00 57.72 56.79 3a0h n HIS 67 Cb 1.06 -0.05 0.02 0.00 -0.00 0.00 0.00 29.99 31.02 3a0h n HIS 67 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3a0h s VAL 68 N -1.48 2.33 0.00 3.57 -7.23 0.62 -4.38 120.40 113.83 3a0h s VAL 68 Ca 0.31 0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.74 3a0h s VAL 68 Cb 0.17 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.98 3a0h s VAL 68 CO 0.19 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.60 3a0h n GLY 69 N 0.64 3.41 2.34 2.32 0.00 -1.26 -3.92 105.19 108.72 3a0h n GLY 69 Ca 0.08 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 3a0h n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a0h n GLY 70 N 0.00 3.95 0.00 -0.02 0.00 -1.11 -5.02 105.19 102.99 3a0h n GLY 70 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.82 3a0h n GLY 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3a0h n ILE 71 N 1.00 0.00 -3.03 -0.61 -5.35 -1.25 -3.79 119.36 106.33 3a0h n ILE 71 Ca 0.26 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.68 3a0h n ILE 71 Cb 0.47 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.36 3a0h n ILE 71 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3a0h s THR 72 N -1.69 -0.81 0.37 7.28 2.01 -1.25 -4.67 115.64 116.88 3a0h s THR 72 Ca 0.00 -0.82 0.19 0.00 0.31 0.00 0.00 61.69 61.36 3a0h s THR 72 Cb 0.00 -0.18 0.38 0.00 0.01 0.00 0.00 72.50 72.70 3a0h s THR 72 CO 0.00 -0.18 1.68 0.11 -0.69 0.00 0.00 174.62 175.55 3a0h h LYS 73 N 5.93 0.30 -0.34 4.92 1.57 -1.77 0.37 116.57 127.53 3a0h h LYS 73 Ca 0.07 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 3a0h h LYS 73 Cb 1.11 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3a0h h LYS 73 CO 0.09 0.20 -0.25 1.15 -0.57 0.00 0.00 179.45 180.07 3a0h h THR 74 N 0.30 1.27 -1.85 -0.16 2.02 -1.97 -3.38 112.91 109.15 3a0h h THR 74 Ca 0.72 -1.35 -0.48 0.00 0.77 0.00 0.00 66.41 66.06 3a0h h THR 74 Cb 1.81 1.28 -0.33 0.00 -1.74 0.00 0.00 68.15 69.17 3a0h h THR 74 CO -0.49 0.44 -0.90 -3.20 0.37 0.00 0.00 175.52 171.75 3a0h n ASN 75 N -4.10 -0.98 0.26 4.18 2.85 0.39 -5.01 115.26 112.84 3a0h n ASN 75 Ca -0.00 -2.62 0.02 0.00 -0.11 0.00 0.00 54.58 51.86 3a0h n ASN 75 Cb 0.44 -0.01 0.10 0.00 1.24 0.00 0.00 39.78 41.55 3a0h n ASN 75 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3a0h h PRO 76 N 4.95 0.00 0.00 1.20 0.11 -0.61 -1.93 132.00 135.72 3a0h h PRO 76 Ca 0.15 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 3a0h h PRO 76 Cb 0.94 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3a0h h PRO 76 CO 0.34 0.00 -0.17 0.77 -0.21 0.00 0.00 178.00 178.73 3a0h h SER 77 N 0.00 0.00 -3.32 -2.05 0.02 -1.95 -3.43 113.55 102.82 3a0h h SER 77 Ca 0.00 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 3a0h h SER 77 Cb 1.57 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.91 3a0h h SER 77 CO 0.00 0.17 -0.65 -0.76 -1.14 0.00 0.00 176.83 174.44 3a0h s LEU 78 N -7.22 3.33 0.47 5.07 1.43 -0.73 -5.11 118.68 115.92 3a0h s LEU 78 Ca -0.02 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 3a0h s LEU 78 Cb 0.12 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 3a0h s LEU 78 CO 0.61 0.19 0.05 1.51 0.23 0.00 0.00 176.35 178.94 3a0h s ASP 79 N 0.21 4.11 -0.05 2.29 1.47 -1.26 -3.93 116.67 119.51 3a0h s ASP 79 Ca -0.02 -1.49 0.19 0.00 1.18 0.00 0.00 52.55 52.41 3a0h s ASP 79 Cb -0.14 0.14 0.62 0.00 -0.34 0.00 0.00 42.92 43.20 3a0h s ASP 79 CO 0.03 -0.71 1.53 0.18 0.68 0.00 0.00 175.17 176.87 3a0h n LEU 80 N -1.20 4.12 -4.78 2.11 4.77 -1.26 -4.77 117.00 116.00 3a0h n LEU 80 Ca -0.12 -2.22 -0.41 0.00 -0.03 0.00 0.00 56.01 53.23 3a0h n LEU 80 Cb 0.67 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3a0h n LEU 80 CO 0.42 0.87 1.08 -0.13 -1.33 0.00 0.00 177.39 178.30 3a0h s ARG 81 N -1.42 4.16 0.12 3.23 0.52 -1.26 -4.80 118.95 119.50 3a0h s ARG 81 Ca 0.46 2.44 -0.21 0.00 -0.52 0.00 0.00 55.73 57.89 3a0h s ARG 81 Cb 0.27 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.73 3a0h s ARG 81 CO 0.26 -0.44 1.11 2.41 0.02 0.00 0.00 175.30 178.66 3a0h n THR 82 N 0.51 -0.48 -0.21 0.02 -1.04 -1.26 -0.67 114.28 111.16 3a0h n THR 82 Ca 0.01 1.73 0.01 0.00 -2.04 0.00 0.00 64.05 63.76 3a0h n THR 82 Cb 0.40 -2.15 0.12 0.00 -1.82 0.00 0.00 70.33 66.87 3a0h n THR 82 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3a0h h GLU 83 N 0.00 0.34 -0.98 -2.82 5.08 -2.00 -1.48 114.58 112.73 3a0h h GLU 83 Ca 0.13 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.56 3a0h h GLU 83 Cb 0.31 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 3a0h h GLU 83 CO -0.68 0.23 0.62 1.15 -1.00 0.00 0.00 179.01 179.33 3a0h h THR 84 N 0.35 0.99 0.00 1.13 2.02 -1.24 -0.67 112.91 115.49 3a0h h THR 84 Ca 0.32 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 3a0h h THR 84 Cb 0.44 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3a0h h THR 84 CO -0.35 0.19 -0.32 -0.07 0.37 0.00 0.00 175.52 175.34 3a0h h LEU 85 N 1.04 0.00 -0.11 2.58 3.38 -0.92 -2.60 115.31 118.68 3a0h h LEU 85 Ca 0.46 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.31 3a0h h LEU 85 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3a0h h LEU 85 CO -0.23 0.32 -0.38 0.00 0.09 0.00 0.00 178.44 178.24 3a0h h ALA 86 N 1.68 0.20 0.00 1.53 0.00 -0.80 0.38 119.26 122.25 3a0h h ALA 86 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3a0h h ALA 86 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3a0h h ALA 86 CO 0.04 0.29 0.00 -0.07 0.00 0.00 0.00 179.25 179.51 3a0h h LEU 87 N 0.04 0.00 -9.78 0.00 3.38 -1.29 -3.42 115.31 104.24 3a0h h LEU 87 Ca -0.02 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.60 3a0h h LEU 87 Cb 1.01 0.00 0.20 0.00 0.09 0.00 0.00 40.66 41.96 3a0h h LEU 87 CO 0.08 0.00 -0.20 0.00 0.09 0.00 0.00 178.44 178.42 3a0h n ALA 88 N -1.82 -4.03 -3.63 1.53 0.00 -0.99 -4.98 120.51 106.60 3a0h n ALA 88 Ca 0.03 -1.67 -0.17 0.00 0.00 0.00 0.00 53.44 51.63 3a0h n ALA 88 Cb 0.29 -1.50 -0.14 0.00 0.00 0.00 0.00 19.45 18.09 3a0h n ALA 88 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3a0h s THR 89 N -2.15 -0.31 1.00 0.00 -4.23 -1.26 -4.01 115.64 104.68 3a0h s THR 89 Ca 0.61 0.22 -0.15 0.00 -1.18 0.00 0.00 61.69 61.19 3a0h s THR 89 Cb -0.13 -0.43 0.19 0.00 1.34 0.00 0.00 72.50 73.48 3a0h s THR 89 CO 0.54 0.05 1.17 -2.16 -0.54 0.00 0.00 174.62 173.68 3a0h s PRO 90 N 2.33 0.41 0.23 3.99 0.04 -1.26 -3.54 135.00 137.19 3a0h s PRO 90 Ca 0.03 0.04 -0.30 0.00 0.04 0.00 0.00 61.00 60.81 3a0h s PRO 90 Cb -0.13 -1.78 -0.15 0.00 0.04 0.00 0.00 34.50 32.48 3a0h s PRO 90 CO -0.08 -2.64 1.01 -0.35 0.04 0.00 0.00 177.00 174.97 3a0h n PRO 91 N -4.02 1.07 -0.42 0.56 -0.04 -1.26 -4.85 135.00 126.04 3a0h n PRO 91 Ca 0.10 0.38 0.07 0.00 -0.04 0.00 0.00 63.50 64.01 3a0h n PRO 91 Cb 0.59 -1.75 0.13 0.00 -0.04 0.00 0.00 33.50 32.44 3a0h n PRO 91 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3a0h n ARG 92 N 1.18 1.10 0.00 0.54 5.12 0.13 -4.59 116.66 120.14 3a0h n ARG 92 Ca 0.13 -2.55 0.11 0.00 -1.93 0.00 0.00 57.85 53.61 3a0h n ARG 92 Cb 0.28 -1.27 -0.03 0.00 -1.16 0.00 0.00 32.46 30.27 3a0h n ARG 92 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 3a0h n ASP 93 N -0.98 1.31 -4.74 0.55 5.68 -1.21 -4.21 116.55 112.95 3a0h n ASP 93 Ca 0.14 -1.11 -0.41 0.00 -0.50 0.00 0.00 54.79 52.91 3a0h n ASP 93 Cb 0.71 0.73 -0.04 0.00 -1.14 0.00 0.00 41.12 41.38 3a0h n ASP 93 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 3a0h s ASN 94 N -2.80 7.33 0.41 -1.12 0.01 -1.26 -4.78 114.94 112.73 3a0h s ASN 94 Ca 0.12 2.06 0.21 0.00 -0.71 0.00 0.00 52.86 54.55 3a0h s ASN 94 Cb 0.17 -2.61 1.16 0.00 0.41 0.00 0.00 41.25 40.38 3a0h s ASN 94 CO 0.74 -0.16 1.61 -0.29 -1.51 0.00 0.00 177.10 177.49 3a0h h ILE 95 N 3.63 0.00 0.00 0.60 2.10 -0.39 0.18 117.51 123.63 3a0h h ILE 95 Ca -0.44 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.50 3a0h h ILE 95 Cb 1.21 0.47 0.00 0.00 -1.09 0.00 0.00 36.82 37.41 3a0h h ILE 95 CO 0.71 0.00 0.00 1.21 -1.08 0.00 0.00 178.15 178.99 3a0h n GLU 96 N -2.35 0.00 0.00 2.19 4.07 -0.97 -4.12 120.64 119.46 3a0h n GLU 96 Ca -0.01 0.22 0.00 0.00 -0.06 0.00 0.00 57.16 57.30 3a0h n GLU 96 Cb 0.23 -0.80 0.00 0.00 -0.06 0.00 0.00 31.44 30.81 3a0h n GLU 96 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3a0h n GLY 97 N 1.81 0.00 0.62 8.31 0.00 0.04 0.30 105.19 116.26 3a0h n GLY 97 Ca 0.00 0.00 0.45 0.00 0.00 0.00 0.00 46.02 46.47 3a0h n GLY 97 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a0h h LEU 98 N 0.00 0.04 0.02 0.99 -0.00 -1.70 0.26 115.31 114.92 3a0h h LEU 98 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.90 3a0h h LEU 98 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 3a0h h LEU 98 CO 0.00 -0.02 -0.01 0.58 -0.00 0.00 0.00 178.44 178.99 3a0h h VAL 99 N 0.02 1.19 0.03 1.22 2.07 0.43 0.88 116.25 122.09 3a0h h VAL 99 Ca 0.80 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.70 3a0h h VAL 99 Cb 3.12 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 34.46 3a0h h VAL 99 CO -0.07 0.17 -0.51 -0.78 0.02 0.00 0.00 177.57 176.39 3a0h h ASP 100 N -0.31 -1.58 0.00 0.57 3.58 -0.46 0.14 116.42 118.37 3a0h h ASP 100 Ca -0.00 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.62 3a0h h ASP 100 Cb 0.29 0.59 0.00 0.00 1.72 0.00 0.00 39.33 41.94 3a0h h ASP 100 CO 0.00 -0.51 0.00 0.00 -2.88 0.00 0.00 179.24 175.85 3a0h n TYR 101 N -5.33 0.00 -0.39 0.28 4.19 -0.90 0.25 117.16 115.26 3a0h n TYR 101 Ca -0.07 0.00 0.30 0.00 3.31 0.00 0.00 57.90 61.44 3a0h n TYR 101 Cb 0.38 -0.36 0.58 0.00 0.49 0.00 0.00 39.34 40.44 3a0h n TYR 101 CO 0.00 0.00 0.00 0.52 0.91 0.00 0.00 176.86 178.29 3a0h h MET 102 N 0.00 0.20 0.38 2.98 2.86 -0.63 0.28 114.93 121.01 3a0h h MET 102 Ca 0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3a0h h MET 102 Cb 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3a0h h MET 102 CO 0.00 0.13 -0.18 0.87 1.06 0.00 0.00 176.91 178.79 3a0h h LYS 103 N 0.21 -0.49 -4.16 1.72 6.56 0.29 -1.88 116.57 118.81 3a0h h LYS 103 Ca 0.75 0.03 -0.46 0.00 -1.06 0.00 0.00 60.65 59.91 3a0h h LYS 103 Cb 2.11 0.11 -0.35 0.00 -0.57 0.00 0.00 32.23 33.53 3a0h h LYS 103 CO -0.44 -0.20 -0.79 1.21 -2.06 0.00 0.00 179.45 177.18 3a0h s ASN 104 N -5.01 1.41 0.21 0.86 2.47 0.68 -0.68 114.94 114.88 3a0h s ASN 104 Ca -0.12 -0.19 -0.04 0.00 0.42 0.00 0.00 52.86 52.93 3a0h s ASN 104 Cb 0.01 -0.60 -0.05 0.00 -1.45 0.00 0.00 41.25 39.15 3a0h s ASN 104 CO 0.40 -0.05 0.45 -2.16 -3.72 0.00 0.00 177.10 172.02 3a0h s PRO 105 N 1.07 3.62 -0.00 0.43 0.04 -0.78 -2.79 135.00 136.57 3a0h s PRO 105 Ca -0.08 -0.09 -0.06 0.00 0.04 0.00 0.00 61.00 60.81 3a0h s PRO 105 Cb -0.14 -2.76 -0.00 0.00 0.04 0.00 0.00 34.50 31.63 3a0h s PRO 105 CO -0.01 0.36 0.11 0.95 0.04 0.00 0.00 177.00 178.46 3a0h s THR 106 N -1.85 0.08 0.00 1.26 -4.23 -1.26 -0.90 115.64 108.73 3a0h s THR 106 Ca 0.42 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 3a0h s THR 106 Cb -0.11 -0.38 0.00 0.00 1.34 0.00 0.00 72.50 73.35 3a0h s THR 106 CO 0.27 -0.36 0.00 0.35 -0.54 0.00 0.00 174.62 174.34 3a0h n THR 107 N 1.65 0.00 1.15 3.99 -2.24 -1.17 -4.76 114.28 112.90 3a0h n THR 107 Ca -0.22 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.60 3a0h n THR 107 Cb 0.56 -0.23 0.10 0.00 -2.10 0.00 0.00 70.33 68.66 3a0h n THR 107 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a0h n TYR 108 N -2.83 0.35 -0.13 4.78 -0.00 -1.26 -2.65 117.16 115.42 3a0h n TYR 108 Ca 0.00 -0.16 -0.19 0.00 -0.00 0.00 0.00 57.90 57.55 3a0h n TYR 108 Cb 0.00 -0.04 -0.12 0.00 -0.00 0.00 0.00 39.34 39.18 3a0h n TYR 108 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 3a0h n ASP 109 N 0.16 1.98 -0.12 2.98 4.64 -1.26 -4.33 116.55 120.60 3a0h n ASP 109 Ca 0.08 -0.12 -0.02 0.00 -1.38 0.00 0.00 54.79 53.35 3a0h n ASP 109 Cb 0.25 -0.43 -0.01 0.00 -1.04 0.00 0.00 41.12 39.89 3a0h n ASP 109 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3a0h n GLY 110 N 2.22 0.52 0.07 0.27 0.00 -1.09 -4.77 105.19 102.41 3a0h n GLY 110 Ca -0.46 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 3a0h n GLY 110 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3a0h h GLU 111 N 0.43 0.00 -6.50 1.61 4.39 -1.88 -3.48 114.58 109.15 3a0h h GLU 111 Ca -0.03 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 58.99 3a0h h GLU 111 Cb 0.17 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 28.53 3a0h h GLU 111 CO 0.05 0.25 -0.88 1.14 -1.16 0.00 0.00 179.01 178.40 3a0h s GLN 112 N -2.07 2.01 0.19 2.33 -2.07 -1.26 -5.03 119.66 113.76 3a0h s GLN 112 Ca -0.13 -0.90 -0.32 0.00 -1.82 0.00 0.00 55.36 52.19 3a0h s GLN 112 Cb 0.02 -1.95 -0.11 0.00 -1.09 0.00 0.00 33.01 29.88 3a0h s GLN 112 CO 0.26 0.53 1.61 -1.21 -1.32 0.00 0.00 175.29 175.17 3a0h s GLU 113 N -0.62 4.18 0.00 9.60 2.02 -1.26 -3.02 118.70 129.60 3a0h s GLU 113 Ca 0.10 2.45 0.23 0.00 0.02 0.00 0.00 54.97 57.77 3a0h s GLU 113 Cb -0.10 -3.12 0.57 0.00 0.10 0.00 0.00 34.13 31.59 3a0h s GLU 113 CO -0.01 -0.64 1.49 1.51 0.02 0.00 0.00 175.26 177.63 3a0h n ILE 114 N 3.76 0.81 -0.24 -1.63 3.06 -0.08 -4.73 119.36 120.31 3a0h n ILE 114 Ca 0.14 -0.90 0.24 0.00 -2.50 0.00 0.00 62.75 59.72 3a0h n ILE 114 Cb 0.37 0.67 0.43 0.00 0.54 0.00 0.00 39.64 41.66 3a0h n ILE 114 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3a0h n ALA 115 N 1.60 0.76 0.19 1.51 0.00 -1.23 -1.33 120.51 122.01 3a0h n ALA 115 Ca 0.23 0.77 0.06 0.00 0.00 0.00 0.00 53.44 54.50 3a0h n ALA 115 Cb 0.62 -0.76 0.32 0.00 0.00 0.00 0.00 19.45 19.63 3a0h n ALA 115 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3a0h h GLU 116 N 0.00 0.00 -0.02 0.00 4.81 -1.95 -3.24 114.58 114.18 3a0h h GLU 116 Ca 0.63 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.86 3a0h h GLU 116 Cb 1.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.04 3a0h h GLU 116 CO -0.59 0.36 -0.16 0.28 -0.73 0.00 0.00 179.01 178.18 3a0h n VAL 117 N -3.48 0.00 -4.51 0.32 0.31 -0.44 -4.96 118.33 105.57 3a0h n VAL 117 Ca 0.00 -0.42 -0.22 0.00 -0.01 0.00 0.00 64.34 63.69 3a0h n VAL 117 Cb 0.52 1.30 -0.16 0.00 -0.91 0.00 0.00 33.84 34.59 3a0h n VAL 117 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3a0h s HIS 118 N -1.72 1.18 0.02 3.52 5.65 -1.10 -5.10 115.29 117.74 3a0h s HIS 118 Ca 0.18 -0.33 -0.38 0.00 0.25 0.00 0.00 55.06 54.78 3a0h s HIS 118 Cb 0.14 -0.84 -0.17 0.00 -1.18 0.00 0.00 32.58 30.54 3a0h s HIS 118 CO 0.32 -0.14 1.35 -2.30 -0.65 0.00 0.00 174.74 173.32 3a0h n PRO 119 N 3.35 0.95 -3.59 2.88 -0.02 -1.26 -4.70 135.00 132.62 3a0h n PRO 119 Ca -0.19 0.35 -0.13 0.00 -2.02 0.00 0.00 63.50 61.50 3a0h n PRO 119 Cb 0.53 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 31.98 3a0h n PRO 119 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3a0h s SER 120 N 0.78 -0.56 0.44 2.55 1.04 -1.24 -4.82 113.70 111.90 3a0h s SER 120 Ca 0.87 0.85 0.14 0.00 0.48 0.00 0.00 55.95 58.29 3a0h s SER 120 Cb -1.02 0.78 0.96 0.00 0.10 0.00 0.00 66.02 66.83 3a0h s SER 120 CO 0.51 -0.35 1.97 -0.07 0.98 0.00 0.00 173.24 176.28 3a0h h LEU 121 N 3.64 0.02 -0.98 2.42 3.38 -1.11 0.22 115.31 122.89 3a0h h LEU 121 Ca -0.26 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.78 3a0h h LEU 121 Cb 1.16 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 3a0h h LEU 121 CO 0.22 0.22 0.63 -0.09 0.09 0.00 0.00 178.44 179.51 3a0h h ARG 122 N 0.02 1.11 -3.28 1.13 2.43 -1.14 -3.24 114.38 111.40 3a0h h ARG 122 Ca 0.00 -0.07 -0.63 0.00 -0.81 0.00 0.00 59.98 58.47 3a0h h ARG 122 Cb 0.35 -0.25 -0.41 0.00 -0.42 0.00 0.00 29.97 29.24 3a0h h ARG 122 CO 0.03 0.73 -0.61 -1.54 -1.51 0.00 0.00 179.97 177.07 3a0h s SER 123 N -5.88 4.48 -0.15 -3.80 1.04 0.74 -4.90 113.70 105.23 3a0h s SER 123 Ca -0.12 -3.30 -0.19 0.00 0.48 0.00 0.00 55.95 52.82 3a0h s SER 123 Cb 0.20 -1.63 -0.24 0.00 0.10 0.00 0.00 66.02 64.45 3a0h s SER 123 CO 0.81 -0.18 0.44 0.00 0.98 0.00 0.00 173.24 175.29 3a0h h ALA 124 N 6.13 0.21 0.00 5.32 0.00 -1.54 -3.29 119.26 126.09 3a0h h ALA 124 Ca -0.00 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.82 3a0h h ALA 124 Cb 0.84 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3a0h h ALA 124 CO 0.70 0.71 0.26 -0.40 0.00 0.00 0.00 179.25 180.52 3a0h n ASP 125 N -4.17 0.00 -0.12 0.00 5.75 -1.26 -1.34 116.55 115.42 3a0h n ASP 125 Ca -0.26 0.18 -0.22 0.00 -0.01 0.00 0.00 54.79 54.48 3a0h n ASP 125 Cb 0.78 -0.18 -0.07 0.00 -1.03 0.00 0.00 41.12 40.62 3a0h n ASP 125 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 3a0h n ILE 126 N -1.14 1.47 -3.63 2.12 -0.00 -1.26 -4.84 119.36 112.08 3a0h n ILE 126 Ca 0.00 -0.19 -0.39 0.00 -0.00 0.00 0.00 62.75 62.17 3a0h n ILE 126 Cb 0.26 -2.02 -0.08 0.00 -0.00 0.00 0.00 39.64 37.81 3a0h n ILE 126 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 3a0h s PHE 127 N -2.62 3.50 0.24 4.28 0.08 -0.45 -4.98 117.98 118.03 3a0h s PHE 127 Ca -0.34 -2.59 -0.10 0.00 0.12 0.00 0.00 56.93 54.02 3a0h s PHE 127 Cb 0.11 -3.34 0.35 0.00 -0.57 0.00 0.00 43.02 39.57 3a0h s PHE 127 CO 0.45 -0.86 1.61 -1.35 -0.10 0.00 0.00 175.22 174.96 3a0h h PRO 128 N 7.11 0.01 -1.24 0.24 0.11 -1.88 0.11 132.00 136.47 3a0h h PRO 128 Ca 0.02 -0.00 0.36 0.00 0.11 0.00 0.00 66.00 66.49 3a0h h PRO 128 Cb 0.96 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.98 3a0h h PRO 128 CO 0.73 0.01 0.84 0.87 -0.21 0.00 0.00 178.00 180.23 3a0h h LYS 129 N 0.01 0.16 0.00 1.05 1.57 -1.93 0.59 116.57 118.03 3a0h h LYS 129 Ca 0.38 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3a0h h LYS 129 Cb 0.61 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3a0h h LYS 129 CO -0.78 0.11 0.00 -1.33 -0.57 0.00 0.00 179.45 176.88 3a0h n MET 130 N -4.46 0.37 0.01 3.15 2.81 0.39 -3.85 117.12 115.53 3a0h n MET 130 Ca 0.30 0.08 -0.04 0.00 -1.81 0.00 0.00 57.70 56.23 3a0h n MET 130 Cb 1.23 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 32.21 3a0h n MET 130 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3a0h h ARG 131 N 0.00 -0.14 0.00 0.03 3.08 0.07 -3.30 114.38 114.13 3a0h h ARG 131 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3a0h h ARG 131 Cb 0.13 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3a0h h ARG 131 CO 0.00 0.05 0.00 0.09 -1.07 0.00 0.00 179.97 179.05 3a0h n ASN 132 N -4.85 0.00 -4.76 7.04 3.02 -1.25 -4.70 115.26 109.75 3a0h n ASN 132 Ca -0.03 0.06 -0.39 0.00 -0.03 0.00 0.00 54.58 54.18 3a0h n ASN 132 Cb 0.13 -0.06 -0.05 0.00 -0.61 0.00 0.00 39.78 39.19 3a0h n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3a0h s LEU 133 N -2.05 4.48 0.24 3.41 2.01 -1.24 -5.00 118.68 120.53 3a0h s LEU 133 Ca 0.00 2.13 0.02 0.00 0.01 0.00 0.00 54.13 56.29 3a0h s LEU 133 Cb 0.00 -3.75 -0.05 0.00 0.01 0.00 0.00 46.19 42.40 3a0h s LEU 133 CO 0.00 -0.14 0.05 0.42 1.01 0.00 0.00 176.35 177.69 3a0h s THR 134 N -1.29 0.78 0.55 5.49 -4.23 -1.26 -4.98 115.64 110.70 3a0h s THR 134 Ca 0.47 -2.01 0.23 0.00 -1.18 0.00 0.00 61.69 59.20 3a0h s THR 134 Cb -0.28 -2.49 0.32 0.00 1.34 0.00 0.00 72.50 71.39 3a0h s THR 134 CO 0.35 -0.17 2.17 -0.08 -0.54 0.00 0.00 174.62 176.35 3a0h h GLU 135 N 2.43 0.00 0.29 3.99 4.57 -1.97 1.89 114.58 125.78 3a0h h GLU 135 Ca -0.38 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.78 3a0h h GLU 135 Cb 1.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3a0h h GLU 135 CO 0.63 0.00 -0.14 -0.22 -1.18 0.00 0.00 179.01 178.10 3a0h h LYS 136 N 0.00 -0.38 -0.66 1.92 3.64 -1.99 -1.72 116.57 117.37 3a0h h LYS 136 Ca 0.03 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3a0h h LYS 136 Cb 0.13 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 3a0h h LYS 136 CO -0.00 -0.07 0.44 -0.44 -2.27 0.00 0.00 179.45 177.11 3a0h h ASP 137 N -0.97 0.69 0.41 4.20 3.32 -1.48 -2.68 116.42 119.91 3a0h h ASP 137 Ca -0.04 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3a0h h ASP 137 Cb 0.49 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3a0h h ASP 137 CO 0.07 0.47 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.79 3a0h h LEU 138 N 0.80 -0.46 -0.92 1.55 3.38 0.28 -2.09 115.31 117.85 3a0h h LEU 138 Ca 0.26 0.02 0.37 0.00 0.09 0.00 0.00 57.88 58.62 3a0h h LEU 138 Cb 0.07 0.12 -0.15 0.00 0.09 0.00 0.00 40.66 40.79 3a0h h LEU 138 CO -0.07 -0.21 0.52 0.52 0.09 0.00 0.00 178.44 179.29 3a0h n VAL 139 N -4.17 -0.34 0.14 1.22 0.31 -0.65 -0.39 118.33 114.46 3a0h n VAL 139 Ca -0.07 1.72 -0.06 0.00 -0.01 0.00 0.00 64.34 65.92 3a0h n VAL 139 Cb 0.22 -2.80 -0.03 0.00 -0.91 0.00 0.00 33.84 30.32 3a0h n VAL 139 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a0h h ALA 140 N 1.66 -0.82 -0.90 3.52 0.00 -1.35 0.33 119.26 121.70 3a0h h ALA 140 Ca 0.74 -0.08 0.26 0.00 0.00 0.00 0.00 54.91 55.83 3a0h h ALA 140 Cb 2.03 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.92 3a0h h ALA 140 CO -0.62 -0.80 0.75 0.97 0.00 0.00 0.00 179.25 179.55 3a0h h ILE 141 N -0.48 0.37 0.04 0.00 2.10 -0.20 0.77 117.51 120.11 3a0h h ILE 141 Ca -0.04 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.90 3a0h h ILE 141 Cb 0.29 0.45 0.00 0.00 -1.09 0.00 0.00 36.82 36.47 3a0h h ILE 141 CO 0.06 0.00 -0.02 0.00 -1.08 0.00 0.00 178.15 177.11 3a0h h ALA 142 N 1.35 -0.56 -1.62 0.18 0.00 -0.55 -3.09 119.26 114.97 3a0h h ALA 142 Ca 0.43 -0.01 0.47 0.00 0.00 0.00 0.00 54.91 55.80 3a0h h ALA 142 Cb 1.92 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.66 3a0h h ALA 142 CO -0.00 -0.56 1.20 0.78 0.00 0.00 0.00 179.25 180.67 3a0h h GLY 143 N -0.09 0.00 1.17 0.00 0.00 0.77 1.02 103.07 105.94 3a0h h GLY 143 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 3a0h h GLY 143 CO 0.01 0.00 0.18 0.84 0.00 0.00 0.00 176.54 177.57 3a0h h HIS 144 N 0.00 1.08 -0.22 5.60 6.17 -0.86 -1.92 115.15 125.00 3a0h h HIS 144 Ca 0.77 -0.11 -0.07 0.00 0.71 0.00 0.00 60.37 61.67 3a0h h HIS 144 Cb 3.16 -0.31 -0.00 0.00 2.52 0.00 0.00 27.41 32.78 3a0h h HIS 144 CO 0.00 0.87 -0.14 0.82 0.71 0.00 0.00 177.93 180.19 3a0h h ILE 145 N 1.00 1.31 0.00 6.26 2.04 0.12 -1.68 117.51 126.56 3a0h h ILE 145 Ca 0.21 -1.25 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 3a0h h ILE 145 Cb 0.32 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3a0h h ILE 145 CO -0.00 0.38 -0.01 -0.07 0.00 0.00 0.00 178.15 178.45 3a0h h LEU 146 N 0.17 0.00 0.01 1.44 3.38 -1.50 -3.34 115.31 115.48 3a0h h LEU 146 Ca 0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 3a0h h LEU 146 Cb 0.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3a0h h LEU 146 CO 0.04 0.01 -1.00 0.58 0.09 0.00 0.00 178.44 178.15 3a0h h VAL 147 N 0.00 1.12 -0.91 1.22 2.07 -1.27 -3.40 116.25 115.08 3a0h h VAL 147 Ca -0.00 -2.24 0.25 0.00 0.82 0.00 0.00 66.70 65.53 3a0h h VAL 147 Cb 0.73 2.54 -0.15 0.00 -1.52 0.00 0.00 31.29 32.88 3a0h h VAL 147 CO 0.00 0.43 0.18 -0.33 0.02 0.00 0.00 177.57 177.87 3a0h h GLU 148 N -0.91 0.13 -0.17 1.57 4.39 -1.42 -1.30 114.58 116.87 3a0h h GLU 148 Ca -0.27 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.46 3a0h h GLU 148 Cb 1.29 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.88 3a0h h GLU 148 CO -0.13 0.08 -0.07 -1.00 -1.16 0.00 0.00 179.01 176.73 3a0h h PRO 149 N 0.13 -0.05 -1.48 2.33 0.13 -1.78 -1.90 132.00 129.38 3a0h h PRO 149 Ca 0.57 0.00 0.49 0.00 -0.87 0.00 0.00 66.00 66.19 3a0h h PRO 149 Cb 1.19 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 3a0h h PRO 149 CO -0.74 -0.03 0.99 1.63 -0.23 0.00 0.00 178.00 179.62 3a0h n LYS 150 N -5.22 -0.03 -0.11 0.86 5.02 -0.49 -0.69 118.16 117.51 3a0h n LYS 150 Ca -0.03 1.18 -0.18 0.00 -2.02 0.00 0.00 58.31 57.26 3a0h n LYS 150 Cb 0.14 -2.41 -0.06 0.00 -0.02 0.00 0.00 35.03 32.68 3a0h n LYS 150 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3a0h n ILE 151 N -4.46 1.51 0.31 -0.18 -0.00 -1.01 -4.57 119.36 110.95 3a0h n ILE 151 Ca 0.40 -0.07 0.07 0.00 -0.00 0.00 0.00 62.75 63.15 3a0h n ILE 151 Cb 1.63 -2.14 0.33 0.00 -0.00 0.00 0.00 39.64 39.46 3a0h n ILE 151 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 3a0h n LEU 152 N -4.39 0.26 0.00 7.28 4.77 -0.75 -4.97 117.00 119.20 3a0h n LEU 152 Ca -0.31 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3a0h n LEU 152 Cb 0.65 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3a0h n LEU 152 CO 0.13 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.30 3a0h n GLY 153 N -0.55 2.43 0.19 -0.72 0.00 0.13 -2.46 105.19 104.21 3a0h n GLY 153 Ca 0.02 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.61 3a0h n GLY 153 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a0h h ASP 154 N 7.49 0.00 0.00 1.61 3.32 -1.93 -3.02 116.42 123.88 3a0h h ASP 154 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a0h h ASP 154 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3a0h h ASP 154 CO 0.00 0.37 0.54 0.29 -1.72 0.00 0.00 179.24 178.72 3a0h n LYS 155 N -4.06 0.05 0.03 3.56 5.02 -1.03 -0.95 118.16 120.78 3a0h n LYS 155 Ca -0.02 0.50 -0.08 0.00 -2.02 0.00 0.00 58.31 56.69 3a0h n LYS 155 Cb 0.41 -2.18 -0.06 0.00 -0.02 0.00 0.00 35.03 33.18 3a0h n LYS 155 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 3a0h h TRP 156 N 0.00 -0.18 0.05 2.13 -0.00 -1.71 -3.39 115.95 112.85 3a0h h TRP 156 Ca 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 58.88 3a0h h TRP 156 Cb 1.08 0.06 0.00 0.00 -0.00 0.00 0.00 29.16 30.30 3a0h h TRP 156 CO 0.00 0.18 -0.03 0.78 -0.00 0.00 0.00 178.44 179.38 3a0h h GLY 157 N -0.97 -0.08 -1.18 2.65 0.00 -1.14 -2.94 103.07 99.42 3a0h h GLY 157 Ca -0.02 0.03 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 3a0h h GLY 157 CO 0.03 -0.03 0.26 -0.32 0.00 0.00 0.00 176.54 176.49 3a0h s GLY 158 N -3.43 1.64 0.19 4.60 0.00 -1.03 -4.20 107.32 105.09 3a0h s GLY 158 Ca -0.15 0.10 -0.01 0.00 0.00 0.00 0.00 44.72 44.65 3a0h s GLY 158 CO 0.61 0.54 0.11 -0.32 0.00 0.00 0.00 173.10 174.04 3a0h s GLY 159 N -3.32 1.34 0.00 0.20 0.00 -1.26 -4.61 107.32 99.68 3a0h s GLY 159 Ca 0.63 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.70 3a0h s GLY 159 CO 0.57 -1.40 0.00 0.28 0.00 0.00 0.00 173.10 172.55 3a0h n LYS 160 N -0.23 0.00 -0.41 2.90 5.02 -1.26 -3.35 118.16 120.83 3a0h n LYS 160 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 3a0h n LYS 160 Cb 0.65 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.59 3a0h n LYS 160 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3a0h n VAL 161 N 0.00 -0.65 0.09 -0.18 0.31 -1.26 -2.12 118.33 114.52 3a0h n VAL 161 Ca 0.00 2.41 -0.18 0.00 -0.01 0.00 0.00 64.34 66.55 3a0h n VAL 161 Cb 0.00 -3.01 -0.11 0.00 -0.91 0.00 0.00 33.84 29.82 3a0h n VAL 161 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3a0h h TYR 162 N 0.00 0.76 0.00 3.52 0.05 -1.87 -3.54 116.97 115.89 3a0h h TYR 162 Ca 0.19 -0.48 0.00 0.00 0.05 0.00 0.00 58.73 58.50 3a0h h TYR 162 Cb 0.44 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.12 3a0h h TYR 162 CO -1.00 1.33 0.00 0.66 -1.05 0.00 0.00 178.16 178.10