#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m0v n ASN 2 N 0.00 0.00 0.00 7.83 6.94 -1.26 -4.86 115.26 123.91 1m0v n ASN 2 Ca 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 54.58 54.12 1m0v n ASN 2 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1m0v n ASN 2 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1m0v n LEU 3 N 0.00 1.12 0.00 -4.53 4.77 -1.26 -4.99 117.00 112.11 1m0v n LEU 3 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1m0v n LEU 3 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1m0v n LEU 3 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 174.86 1m0v n SER 4 N -0.42 0.00 -0.03 -1.43 7.64 -1.26 -5.00 113.62 113.12 1m0v n SER 4 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1m0v n SER 4 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1m0v n SER 4 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1m0v n LEU 5 N 0.00 0.69 -0.22 -3.43 0.00 -1.26 -3.98 117.00 108.81 1m0v n LEU 5 Ca 0.00 0.24 -0.08 0.00 0.00 0.00 0.00 56.01 56.17 1m0v n LEU 5 Cb 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 43.42 42.84 1m0v n LEU 5 CO 0.00 -0.45 0.89 0.77 0.00 0.00 0.00 177.39 178.60 1m0v h SER 6 N -0.37 0.96 -0.10 1.96 4.64 -1.88 -1.19 113.55 117.58 1m0v h SER 6 Ca 0.00 -0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 61.04 1m0v h SER 6 Cb 0.29 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1m0v h SER 6 CO 0.00 0.97 -0.03 -2.24 -0.87 0.00 0.00 176.83 174.67 1m0v h ASP 7 N 0.91 0.19 -0.62 4.97 3.04 -1.83 0.12 116.42 123.20 1m0v h ASP 7 Ca 0.19 -0.37 0.12 0.00 -3.24 0.00 0.00 57.03 53.72 1m0v h ASP 7 Cb 0.41 -0.05 -0.09 0.00 -1.04 0.00 0.00 39.33 38.57 1m0v h ASP 7 CO 0.01 0.52 0.14 0.25 -2.04 0.00 0.00 179.24 178.12 1m0v h LEU 8 N -0.15 0.03 -0.70 0.15 5.85 -1.67 0.18 115.31 119.00 1m0v h LEU 8 Ca 0.02 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 1m0v h LEU 8 Cb 0.44 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1m0v h LEU 8 CO 0.01 0.02 0.12 -0.74 -0.34 0.00 0.00 178.44 177.51 1m0v h HIS 9 N 0.27 1.19 -0.20 1.25 2.76 -1.06 -1.49 115.15 117.87 1m0v h HIS 9 Ca 0.32 -0.16 0.06 0.00 -2.20 0.00 0.00 60.37 58.39 1m0v h HIS 9 Cb 0.48 -0.33 -0.06 0.00 1.55 0.00 0.00 27.41 29.05 1m0v h HIS 9 CO -0.24 0.99 -0.23 0.00 -1.30 0.00 0.00 177.93 177.14 1m0v h ARG 10 N 1.05 -0.25 0.28 5.26 2.47 0.21 1.01 114.38 124.41 1m0v h ARG 10 Ca 0.21 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.93 1m0v h ARG 10 Cb 0.43 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 1m0v h ARG 10 CO 0.01 -0.17 -0.14 -0.56 0.56 0.00 0.00 179.97 179.68 1m0v h GLN 11 N -0.26 -0.37 -0.46 0.04 -0.00 -1.09 -0.90 115.11 112.07 1m0v h GLN 11 Ca 0.12 0.03 0.06 0.00 -0.00 0.00 0.00 58.65 58.86 1m0v h GLN 11 Cb 0.45 0.08 -0.05 0.00 -0.00 0.00 0.00 27.48 27.96 1m0v h GLN 11 CO -0.35 -0.02 0.17 -0.24 -0.00 0.00 0.00 178.83 178.38 1m0v h VAL 12 N -0.86 0.86 0.32 1.86 3.04 -1.18 0.53 116.25 120.81 1m0v h VAL 12 Ca -0.04 -0.12 -0.02 0.00 -1.01 0.00 0.00 66.70 65.52 1m0v h VAL 12 Cb 0.52 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1m0v h VAL 12 CO 0.06 0.06 -0.15 0.77 -1.01 0.00 0.00 177.57 177.30 1m0v h SER 13 N 0.34 -0.37 0.07 3.17 4.64 1.00 -1.41 113.55 120.99 1m0v h SER 13 Ca 0.22 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1m0v h SER 13 Cb 0.21 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1m0v h SER 13 CO -0.22 -0.22 -0.00 -0.09 -0.87 0.00 0.00 176.83 175.43 1m0v h ARG 14 N -0.48 0.00 0.04 4.77 2.43 -0.87 0.18 114.38 120.45 1m0v h ARG 14 Ca -0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1m0v h ARG 14 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1m0v h ARG 14 CO 0.07 0.00 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.45 1m0v h LEU 15 N 0.00 -0.05 -0.87 3.80 3.38 -0.08 -3.16 115.31 118.33 1m0v h LEU 15 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1m0v h LEU 15 Cb 0.04 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1m0v h LEU 15 CO 0.00 0.17 -0.42 0.58 0.09 0.00 0.00 178.44 178.86 1m0v h VAL 16 N -0.46 0.98 0.00 1.22 2.07 -1.25 1.26 116.25 120.07 1m0v h VAL 16 Ca -0.01 -1.65 -0.02 0.00 0.82 0.00 0.00 66.70 65.85 1m0v h VAL 16 Cb 0.04 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1m0v h VAL 16 CO 0.01 0.41 -0.10 1.56 0.02 0.00 0.00 177.57 179.47 1m0v h GLN 17 N 0.00 0.00 0.00 1.57 1.08 -0.81 -2.73 115.11 114.22 1m0v h GLN 17 Ca -0.00 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.01 1m0v h GLN 17 Cb 0.95 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.24 1m0v h GLN 17 CO 0.05 0.10 -0.28 0.00 -0.95 0.00 0.00 178.83 177.75 1m0v n GLN 18 N -3.24 0.66 0.00 1.46 10.64 -1.04 -4.96 117.38 120.90 1m0v n GLN 18 Ca 0.00 -1.46 0.00 0.00 -1.83 0.00 0.00 57.00 53.72 1m0v n GLN 18 Cb 0.35 -0.82 0.00 0.00 -0.86 0.00 0.00 30.24 28.91 1m0v n GLN 18 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1m0v n GLU 19 N 0.80 0.00 0.07 2.61 2.13 0.26 -4.75 120.64 121.76 1m0v n GLU 19 Ca 0.03 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.63 1m0v n GLU 19 Cb 0.70 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 32.26 1m0v n GLU 19 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1m0v h SER 20 N 0.00 0.60 -5.41 4.31 0.02 0.97 -3.47 113.55 110.57 1m0v h SER 20 Ca 0.00 -0.91 -0.03 0.00 -0.84 0.00 0.00 61.79 60.01 1m0v h SER 20 Cb 0.00 -0.20 0.02 0.00 0.14 0.00 0.00 62.40 62.36 1m0v h SER 20 CO 0.00 1.77 -0.09 0.61 -1.14 0.00 0.00 176.83 177.98 1m0v n GLY 21 N 1.85 -1.24 2.77 -3.77 0.00 -1.03 -4.42 105.19 99.35 1m0v n GLY 21 Ca -0.24 0.48 -0.01 0.00 0.00 0.00 0.00 46.02 46.25 1m0v n GLY 21 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1m0v n ASP 22 N -1.90 -7.96 -0.29 1.61 9.92 -1.26 -5.07 116.55 111.61 1m0v n ASP 22 Ca -0.01 1.27 0.00 0.00 -0.53 0.00 0.00 54.79 55.52 1m0v n ASP 22 Cb 0.51 -5.14 0.00 0.00 -0.64 0.00 0.00 41.12 35.85 1m0v n ASP 22 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1m0v s THR 24 N -2.13 4.70 -0.08 0.00 -4.23 -0.58 -0.63 115.64 112.69 1m0v s THR 24 Ca 0.00 -0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 59.91 1m0v s THR 24 Cb 0.00 -3.22 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 1m0v s THR 24 CO 0.00 0.23 0.04 -0.83 -0.54 0.00 0.00 174.62 173.52 1m0v s GLY 25 N -2.11 1.94 -0.24 3.99 0.00 -1.24 0.15 107.32 109.81 1m0v s GLY 25 Ca 0.27 -0.77 -0.08 0.00 0.00 0.00 0.00 44.72 44.14 1m0v s GLY 25 CO 0.19 -0.54 0.09 1.25 0.00 0.00 0.00 173.10 174.09 1m0v s LYS 26 N -1.01 3.77 0.06 2.90 2.36 -0.59 -4.09 119.74 123.14 1m0v s LYS 26 Ca 0.15 -0.42 0.02 0.00 -2.55 0.00 0.00 55.97 53.16 1m0v s LYS 26 Cb -0.12 -3.37 -0.04 0.00 -1.05 0.00 0.00 37.83 33.25 1m0v s LYS 26 CO 0.04 -0.11 0.09 -1.17 1.55 0.00 0.00 175.35 175.76 1m0v s LEU 27 N 1.42 3.89 0.00 5.43 0.20 -1.26 -0.35 118.68 128.02 1m0v s LEU 27 Ca 0.06 0.06 0.00 0.00 0.69 0.00 0.00 54.13 54.93 1m0v s LEU 27 Cb -0.15 -2.50 0.00 0.00 -0.43 0.00 0.00 46.19 43.11 1m0v s LEU 27 CO 0.05 0.19 0.00 0.54 -0.29 0.00 0.00 176.35 176.84 1m0v n ARG 28 N 0.59 0.00 -0.09 1.98 1.74 -1.26 -4.68 116.66 114.94 1m0v n ARG 28 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1m0v n ARG 28 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 1m0v n ARG 28 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m0v n GLY 29 N 0.00 1.28 3.57 -0.13 0.00 -1.26 -4.97 105.19 103.68 1m0v n GLY 29 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1m0v n GLY 29 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1m0v s ASN 30 N -2.95 -0.34 -0.15 1.61 2.47 -1.26 -4.74 114.94 109.58 1m0v s ASN 30 Ca 0.00 -0.13 -0.06 0.00 0.42 0.00 0.00 52.86 53.10 1m0v s ASN 30 Cb 0.00 0.45 -0.04 0.00 -1.45 0.00 0.00 41.25 40.21 1m0v s ASN 30 CO 0.00 -0.76 0.04 0.54 -3.72 0.00 0.00 177.10 173.20 1m0v s VAL 31 N -3.27 4.65 0.36 -5.21 0.11 -1.25 -4.07 120.40 111.72 1m0v s VAL 31 Ca 0.07 -0.10 0.08 0.00 -2.93 0.00 0.00 61.98 59.10 1m0v s VAL 31 Cb -0.01 -3.05 -0.05 0.00 -1.53 0.00 0.00 36.38 31.74 1m0v s VAL 31 CO -0.06 0.52 0.12 0.00 -3.33 0.00 0.00 175.10 172.35 1m0v s ALA 32 N -0.11 3.46 -0.44 1.54 0.00 0.53 -4.80 121.76 121.94 1m0v s ALA 32 Ca 0.06 -1.94 -0.13 0.00 0.00 0.00 0.00 51.96 49.95 1m0v s ALA 32 Cb -0.12 -0.56 0.07 0.00 0.00 0.00 0.00 23.12 22.51 1m0v s ALA 32 CO 0.01 -0.01 0.34 0.00 0.00 0.00 0.00 175.76 176.09 1m0v s ALA 33 N -2.49 3.46 -0.36 0.00 0.00 -1.26 -1.54 121.76 119.56 1m0v s ALA 33 Ca 0.38 -2.06 -0.20 0.00 0.00 0.00 0.00 51.96 50.09 1m0v s ALA 33 Cb -0.00 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1m0v s ALA 33 CO 0.22 -1.66 0.61 1.21 0.00 0.00 0.00 175.76 176.14 1m0v s ASN 34 N 2.30 6.40 -0.28 0.00 2.47 0.40 -4.92 114.94 121.31 1m0v s ASN 34 Ca 0.04 0.07 0.16 0.00 0.42 0.00 0.00 52.86 53.55 1m0v s ASN 34 Cb -0.23 -2.31 0.49 0.00 -1.45 0.00 0.00 41.25 37.74 1m0v s ASN 34 CO 0.06 -0.59 1.14 1.17 -3.72 0.00 0.00 177.10 175.16 1m0v n LYS 35 N 6.00 2.56 -0.06 0.43 4.81 -1.26 -1.53 118.16 129.12 1m0v n LYS 35 Ca -0.02 -3.80 -0.08 0.00 -0.87 0.00 0.00 58.31 53.54 1m0v n LYS 35 Cb 0.49 -1.90 -0.06 0.00 0.02 0.00 0.00 35.03 33.57 1m0v n LYS 35 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1m0v n GLU 36 N -0.64 0.54 0.00 1.64 2.13 -1.26 -5.05 120.64 118.00 1m0v n GLU 36 Ca 0.23 0.06 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1m0v n GLU 36 Cb 0.87 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 31.35 1m0v n GLU 36 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1m0v n THR 37 N -2.79 0.00 0.00 6.31 -1.04 -1.26 -5.13 114.28 110.37 1m0v n THR 37 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1m0v n THR 37 Cb 0.73 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.24 1m0v n THR 37 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1m0v n THR 38 N 0.00 0.00 -1.65 12.58 -2.24 -1.26 -5.04 114.28 116.67 1m0v n THR 38 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1m0v n THR 38 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1m0v n THR 38 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1m0v n PHE 39 N -2.02 -1.32 -2.38 4.78 3.01 -1.26 -4.62 117.46 113.65 1m0v n PHE 39 Ca 0.00 0.77 -0.14 0.00 1.01 0.00 0.00 57.45 59.09 1m0v n PHE 39 Cb 0.00 -1.34 0.03 0.00 -0.01 0.00 0.00 39.48 38.16 1m0v n PHE 39 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1m0v n GLN 40 N 1.36 2.79 -0.49 -1.08 -0.00 -1.26 -4.66 117.38 114.04 1m0v n GLN 40 Ca 0.00 -3.89 0.00 0.00 -0.00 0.00 0.00 57.00 53.11 1m0v n GLN 40 Cb 0.00 -1.98 0.00 0.00 -0.00 0.00 0.00 30.24 28.26 1m0v n GLN 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1m0v n GLY 41 N -0.65 0.75 0.00 2.61 0.00 -1.26 -3.84 105.19 102.81 1m0v n GLY 41 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1m0v n GLY 41 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1m0v n LEU 42 N 0.00 0.00 -0.68 0.99 7.94 -1.26 -2.36 117.00 121.62 1m0v n LEU 42 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 1m0v n LEU 42 Cb 0.00 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.02 1m0v n LEU 42 CO 0.00 -0.98 0.29 0.41 -1.11 0.00 0.00 177.39 175.99 1m0v n THR 43 N -1.79 0.75 -0.78 1.96 -1.04 -1.25 0.15 114.28 112.29 1m0v n THR 43 Ca 0.00 -1.26 0.00 0.00 -2.04 0.00 0.00 64.05 60.75 1m0v n THR 43 Cb 0.00 0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 1m0v n THR 43 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1m0v n ILE 44 N -0.35 0.00 0.09 12.58 -0.00 -1.26 -4.81 119.36 125.60 1m0v n ILE 44 Ca 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 62.75 62.75 1m0v n ILE 44 Cb 0.80 -0.41 0.01 0.00 -0.00 0.00 0.00 39.64 40.04 1m0v n ILE 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1m0v h ALA 45 N 0.00 0.56 0.00 -1.39 0.00 -1.93 -3.38 119.26 113.12 1m0v h ALA 45 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1m0v h ALA 45 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1m0v h ALA 45 CO 0.00 0.91 -0.08 1.03 0.00 0.00 0.00 179.25 181.11 1m0v h SER 46 N 0.10 0.00 0.00 0.00 0.87 -2.00 -3.47 113.55 109.05 1m0v h SER 46 Ca -0.04 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 1m0v h SER 46 Cb 1.47 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.39 1m0v h SER 46 CO 0.13 0.41 -0.07 0.61 -0.53 0.00 0.00 176.83 177.37 1m0v n GLY 47 N 1.80 -0.25 0.00 5.77 0.00 -1.26 -5.16 105.19 106.09 1m0v n GLY 47 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1m0v n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m0v n ALA 48 N -0.10 0.00 -4.34 4.61 0.00 -1.26 -5.03 120.51 114.39 1m0v n ALA 48 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 1m0v n ALA 48 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 1m0v n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1m0v n ARG 49 N -0.39 0.62 0.07 0.00 5.12 -1.26 -4.87 116.66 115.94 1m0v n ARG 49 Ca 0.00 -3.01 -0.03 0.00 -1.93 0.00 0.00 57.85 52.88 1m0v n ARG 49 Cb 0.00 1.65 -0.07 0.00 -1.16 0.00 0.00 32.46 32.88 1m0v n ARG 49 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1m0v h GLU 50 N 0.00 0.00 0.27 5.56 3.07 -1.99 -3.35 114.58 118.14 1m0v h GLU 50 Ca -0.28 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.58 1m0v h GLU 50 Cb 1.06 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 1m0v h GLU 50 CO 0.44 0.67 -0.25 0.77 -1.40 0.00 0.00 179.01 179.24 1m0v h SER 51 N 0.00 -0.68 -0.01 1.42 0.02 -1.93 -0.71 113.55 111.65 1m0v h SER 51 Ca -0.07 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1m0v h SER 51 Cb 1.66 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 64.41 1m0v h SER 51 CO 0.09 -0.34 -0.14 -0.33 -1.14 0.00 0.00 176.83 174.97 1m0v h GLU 52 N -0.51 -0.16 -0.96 3.45 4.39 -1.74 0.52 114.58 119.57 1m0v h GLU 52 Ca -0.03 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.82 1m0v h GLU 52 Cb 0.44 0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 28.97 1m0v h GLU 52 CO -0.02 -0.11 -0.39 -0.22 -1.16 0.00 0.00 179.01 177.11 1m0v h LYS 53 N -0.17 -0.02 -0.57 2.33 3.64 -1.65 0.71 116.57 120.85 1m0v h LYS 53 Ca 0.01 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1m0v h LYS 53 Cb 0.19 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1m0v h LYS 53 CO -0.10 -0.01 0.33 0.28 -2.27 0.00 0.00 179.45 177.68 1m0v h VAL 54 N -0.02 1.03 -0.66 2.00 2.07 -0.70 0.55 116.25 120.52 1m0v h VAL 54 Ca 0.33 -0.22 0.13 0.00 0.82 0.00 0.00 66.70 67.75 1m0v h VAL 54 Cb 0.59 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1m0v h VAL 54 CO -0.96 0.12 0.44 0.15 0.02 0.00 0.00 177.57 177.34 1m0v h PHE 55 N 0.64 0.41 0.39 1.57 3.04 0.55 -1.35 116.94 122.18 1m0v h PHE 55 Ca 0.24 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.18 1m0v h PHE 55 Cb 0.07 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.45 1m0v h PHE 55 CO -0.07 0.17 -0.19 0.00 -2.02 0.00 0.00 178.31 176.21 1m0v h ALA 56 N 1.68 -0.93 -0.87 2.41 0.00 0.16 -0.96 119.26 120.74 1m0v h ALA 56 Ca 0.31 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.33 1m0v h ALA 56 Cb 0.72 0.20 -0.16 0.00 0.00 0.00 0.00 17.79 18.55 1m0v h ALA 56 CO -0.09 -0.89 -0.06 1.04 0.00 0.00 0.00 179.25 179.25 1m0v n GLN 57 N -3.68 -0.07 -0.06 0.00 1.13 -0.68 0.03 117.38 114.04 1m0v n GLN 57 Ca -0.06 1.32 -0.12 0.00 -1.94 0.00 0.00 57.00 56.20 1m0v n GLN 57 Cb 0.21 -2.06 -0.06 0.00 0.11 0.00 0.00 30.24 28.43 1m0v n GLN 57 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1m0v h THR 58 N 0.00 1.28 0.00 5.09 1.35 -1.22 0.14 112.91 119.55 1m0v h THR 58 Ca 0.50 -1.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.25 1m0v h THR 58 Cb 0.95 1.56 -0.02 0.00 -1.73 0.00 0.00 68.15 68.92 1m0v h THR 58 CO -0.85 0.30 -0.50 1.62 -0.25 0.00 0.00 175.52 175.84 1m0v h VAL 59 N 0.08 1.18 0.00 6.82 3.04 0.10 -0.93 116.25 126.55 1m0v h VAL 59 Ca 0.05 -1.83 -0.04 0.00 -1.01 0.00 0.00 66.70 63.86 1m0v h VAL 59 Cb 0.48 2.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.79 1m0v h VAL 59 CO 0.02 0.49 -1.38 0.18 -1.01 0.00 0.00 177.57 175.87 1m0v n LEU 60 N -3.68 0.60 0.08 3.16 4.32 0.10 -3.30 117.00 118.29 1m0v n LEU 60 Ca -0.01 0.24 -0.22 0.00 -0.02 0.00 0.00 56.01 56.01 1m0v n LEU 60 Cb 0.56 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 42.21 1m0v n LEU 60 CO 0.40 -0.06 -0.05 0.28 -1.22 0.00 0.00 177.39 176.74 1m0v h SER 61 N 0.00 0.61 -0.07 -1.43 0.02 -0.67 -2.52 113.55 109.50 1m0v h SER 61 Ca -0.05 -0.93 -0.00 0.00 -0.84 0.00 0.00 61.79 59.96 1m0v h SER 61 Cb 1.15 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 1m0v h SER 61 CO 0.01 1.50 0.04 0.45 -1.14 0.00 0.00 176.83 177.69 1m0v h HIS 62 N -0.17 0.10 0.79 3.45 3.86 -1.32 -3.20 115.15 118.65 1m0v h HIS 62 Ca -0.18 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.99 1m0v h HIS 62 Cb 1.82 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 30.26 1m0v h HIS 62 CO 0.17 0.16 -0.47 -0.39 0.86 0.00 0.00 177.93 178.27 1m0v h VAL 63 N 0.01 0.00 -4.56 2.45 -1.51 -1.67 -3.45 116.25 107.52 1m0v h VAL 63 Ca 0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.49 1m0v h VAL 63 Cb 0.10 0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 29.26 1m0v h VAL 63 CO -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 177.57 176.33 1m0v n ALA 64 N -2.69 -0.86 0.00 5.19 0.00 -0.95 -3.21 120.51 117.99 1m0v n ALA 64 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1m0v n ALA 64 Cb 0.48 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1m0v n ALA 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1m0v n ASN 65 N -1.18 0.00 0.00 0.00 5.03 -1.26 -5.05 115.26 112.80 1m0v n ASN 65 Ca -0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1m0v n ASN 65 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.20 1m0v n ASN 65 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1m0v n VAL 66 N 0.00 0.00 -3.00 2.41 0.24 -1.20 -2.34 118.33 114.44 1m0v n VAL 66 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1m0v n VAL 66 Cb 0.00 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1m0v n VAL 66 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1m0v s VAL 67 N 0.00 -0.80 -0.41 3.34 0.11 -1.24 -4.75 120.40 116.65 1m0v s VAL 67 Ca 0.00 -0.22 -0.28 0.00 -2.93 0.00 0.00 61.98 58.55 1m0v s VAL 67 Cb 0.00 0.00 0.02 0.00 -1.53 0.00 0.00 36.38 34.87 1m0v s VAL 67 CO 0.00 0.00 1.08 -0.76 -3.33 0.00 0.00 175.10 172.09 1m0v s LEU 68 N 1.61 3.80 0.00 2.54 1.02 0.46 -4.55 118.68 123.57 1m0v s LEU 68 Ca 0.19 0.65 -0.03 0.00 0.02 0.00 0.00 54.13 54.97 1m0v s LEU 68 Cb -0.01 -3.49 0.12 0.00 0.02 0.00 0.00 46.19 42.83 1m0v s LEU 68 CO -0.08 -1.07 0.79 0.35 0.02 0.00 0.00 176.35 176.36 1m0v n THR 69 N 6.38 0.00 -0.26 5.49 -2.24 -1.26 0.25 114.28 122.64 1m0v n THR 69 Ca 0.11 -1.08 0.25 0.00 -2.27 0.00 0.00 64.05 61.06 1m0v n THR 69 Cb 0.48 -1.14 0.45 0.00 -2.10 0.00 0.00 70.33 68.02 1m0v n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1m0v n GLN 70 N -2.51 -0.04 0.12 -0.78 3.00 -1.01 0.11 117.38 116.29 1m0v n GLN 70 Ca 0.12 0.99 -0.05 0.00 -0.01 0.00 0.00 57.00 58.05 1m0v n GLN 70 Cb 0.43 -1.82 -0.02 0.00 0.00 0.00 0.00 30.24 28.83 1m0v n GLN 70 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1m0v h GLU 71 N 0.00 -0.33 -0.09 -1.09 4.81 -1.90 -1.54 114.58 114.44 1m0v h GLU 71 Ca 0.63 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.88 1m0v h GLU 71 Cb 1.76 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.21 1m0v h GLU 71 CO -0.51 -0.22 0.03 -0.44 -0.73 0.00 0.00 179.01 177.14 1m0v h ASP 72 N -0.56 0.10 0.53 1.04 5.19 -1.30 0.23 116.42 121.65 1m0v h ASP 72 Ca -0.03 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.34 1m0v h ASP 72 Cb 0.26 -0.03 0.01 0.00 0.18 0.00 0.00 39.33 39.75 1m0v h ASP 72 CO 0.06 0.10 -0.25 0.71 -3.12 0.00 0.00 179.24 176.74 1m0v h THR 73 N 0.12 0.00 -0.40 0.35 1.35 0.78 -0.71 112.91 114.40 1m0v h THR 73 Ca 0.03 -0.05 0.11 0.00 -0.55 0.00 0.00 66.41 65.95 1m0v h THR 73 Cb 0.04 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.44 1m0v h THR 73 CO -0.00 0.00 0.43 0.00 -0.25 0.00 0.00 175.52 175.69 1m0v h ALA 74 N -1.62 2.10 0.56 6.62 0.00 -1.01 0.08 119.26 125.98 1m0v h ALA 74 Ca -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1m0v h ALA 74 Cb 0.54 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1m0v h ALA 74 CO 0.12 -0.63 -0.32 -0.22 0.00 0.00 0.00 179.25 178.20 1m0v h LYS 75 N 0.00 -0.79 -0.17 0.00 1.63 0.37 0.89 116.57 118.50 1m0v h LYS 75 Ca 0.19 0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.03 1m0v h LYS 75 Cb 1.04 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.84 1m0v h LYS 75 CO -0.00 -0.53 0.06 -0.07 -3.45 0.00 0.00 179.45 175.46 1m0v h LEU 76 N -0.82 0.23 -2.03 5.20 4.07 0.43 -0.86 115.31 121.54 1m0v h LEU 76 Ca -0.07 -0.18 0.04 0.00 0.08 0.00 0.00 57.88 57.75 1m0v h LEU 76 Cb 0.66 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 1m0v h LEU 76 CO 0.08 0.34 0.10 -0.07 -1.08 0.00 0.00 178.44 177.82 1m0v h LEU 77 N 0.10 0.00 -0.05 1.67 3.38 -1.17 -1.12 115.31 118.13 1m0v h LEU 77 Ca 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1m0v h LEU 77 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1m0v h LEU 77 CO -0.00 0.00 -0.16 1.56 0.09 0.00 0.00 178.44 179.92 1m0v h GLN 78 N 0.00 0.20 -0.90 1.13 4.20 0.15 0.48 115.11 120.37 1m0v h GLN 78 Ca 0.06 -0.15 0.03 0.00 0.06 0.00 0.00 58.65 58.66 1m0v h GLN 78 Cb 0.26 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 1m0v h GLN 78 CO -0.00 0.78 0.59 0.66 -0.67 0.00 0.00 178.83 180.19 1m0v h SER 79 N -0.35 0.98 0.00 1.46 4.64 -0.42 0.58 113.55 120.45 1m0v h SER 79 Ca -0.01 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.17 1m0v h SER 79 Cb 0.80 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1m0v h SER 79 CO 0.03 0.68 -0.51 0.00 -0.87 0.00 0.00 176.83 176.17 1m0v h THR 80 N 1.14 1.46 0.00 2.95 1.03 -1.25 -3.23 112.91 115.02 1m0v h THR 80 Ca 0.35 -2.06 0.00 0.00 -0.01 0.00 0.00 66.41 64.69 1m0v h THR 80 Cb -0.02 2.66 0.00 0.00 -1.07 0.00 0.00 68.15 69.72 1m0v h THR 80 CO -0.10 0.59 0.00 0.55 -0.01 0.00 0.00 175.52 176.55 1m0v n VAL 81 N -4.29 0.62 -0.06 0.00 3.14 0.16 -3.40 118.33 114.50 1m0v n VAL 81 Ca -0.10 0.06 -0.08 0.00 -2.96 0.00 0.00 64.34 61.25 1m0v n VAL 81 Cb 0.63 -0.83 -0.06 0.00 -1.06 0.00 0.00 33.84 32.52 1m0v n VAL 81 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1m0v h LYS 82 N 0.00 -0.26 0.00 1.45 1.79 0.16 -3.43 116.57 116.28 1m0v h LYS 82 Ca 0.00 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 1m0v h LYS 82 Cb 0.46 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.13 1m0v h LYS 82 CO 0.00 -0.17 0.14 0.72 -1.08 0.00 0.00 179.45 179.05 1m0v n HIS 83 N -4.28 -0.01 -3.87 -1.35 8.25 -1.25 -5.11 115.22 107.60 1m0v n HIS 83 Ca -0.03 -0.25 -0.00 0.00 -0.26 0.00 0.00 57.72 57.19 1m0v n HIS 83 Cb 0.21 0.82 0.01 0.00 1.12 0.00 0.00 29.99 32.15 1m0v n HIS 83 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1m0v n ASN 84 N -0.24 -1.07 -4.30 0.41 0.23 -1.22 -5.13 115.26 103.94 1m0v n ASN 84 Ca -0.15 -1.42 -0.36 0.00 -0.53 0.00 0.00 54.58 52.11 1m0v n ASN 84 Cb 0.55 1.71 -0.13 0.00 -2.08 0.00 0.00 39.78 39.83 1m0v n ASN 84 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1m0v s LEU 85 N 0.00 3.44 0.41 -4.53 1.02 -1.26 -4.48 118.68 113.27 1m0v s LEU 85 Ca 0.19 -0.67 -0.07 0.00 0.02 0.00 0.00 54.13 53.61 1m0v s LEU 85 Cb -0.01 -1.79 -0.05 0.00 0.02 0.00 0.00 46.19 44.36 1m0v s LEU 85 CO 0.02 -0.13 0.72 0.20 0.02 0.00 0.00 176.35 177.18 1m0v s ASN 86 N 1.45 6.38 -0.30 2.29 0.02 -1.25 -4.59 114.94 118.94 1m0v s ASN 86 Ca 0.03 0.93 0.08 0.00 -1.02 0.00 0.00 52.86 52.87 1m0v s ASN 86 Cb -0.16 -2.24 0.46 0.00 0.02 0.00 0.00 41.25 39.33 1m0v s ASN 86 CO -0.01 -0.43 1.33 -0.46 0.02 0.00 0.00 177.10 177.55 1m0v n ASN 87 N -1.68 3.74 -4.88 -1.22 6.94 -1.25 -5.01 115.26 111.91 1m0v n ASN 87 Ca 0.00 -3.81 -0.29 0.00 -0.02 0.00 0.00 54.58 50.47 1m0v n ASN 87 Cb 0.55 -0.51 -0.04 0.00 -2.36 0.00 0.00 39.78 37.41 1m0v n ASN 87 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1m0v s TYR 88 N -3.45 3.39 0.03 -2.53 1.51 -1.26 0.51 117.35 115.55 1m0v s TYR 88 Ca 0.47 0.14 0.07 0.00 -1.01 0.00 0.00 57.07 56.74 1m0v s TYR 88 Cb 0.41 -1.67 -0.02 0.00 -0.11 0.00 0.00 41.96 40.57 1m0v s TYR 88 CO -0.00 0.54 -0.21 0.34 -1.11 0.00 0.00 175.55 175.11 1m0v s ASP 89 N -2.79 2.49 0.07 2.29 2.15 0.17 -4.88 116.67 116.17 1m0v s ASP 89 Ca 0.33 -0.50 0.04 0.00 0.43 0.00 0.00 52.55 52.85 1m0v s ASP 89 Cb -0.12 -0.22 -0.03 0.00 -0.30 0.00 0.00 42.92 42.25 1m0v s ASP 89 CO 0.26 0.18 -0.11 -0.76 -0.17 0.00 0.00 175.17 174.58 1m0v s LEU 90 N -1.05 2.32 0.11 -1.34 1.43 -1.24 -1.04 118.68 117.88 1m0v s LEU 90 Ca 0.08 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.53 1m0v s LEU 90 Cb -0.09 -0.34 -0.04 0.00 0.03 0.00 0.00 46.19 45.75 1m0v s LEU 90 CO 0.01 -0.18 -0.08 -0.60 0.23 0.00 0.00 176.35 175.73 1m0v s ARG 91 N -2.08 0.90 0.26 1.70 3.52 -0.55 -4.93 118.95 117.77 1m0v s ARG 91 Ca -0.01 -1.35 0.07 0.00 -0.13 0.00 0.00 55.73 54.30 1m0v s ARG 91 Cb -0.07 -0.37 -0.03 0.00 -1.56 0.00 0.00 34.95 32.91 1m0v s ARG 91 CO 0.01 0.02 0.27 -1.12 -0.81 0.00 0.00 175.30 173.67 1m0v s SER 92 N -3.01 5.73 0.00 -2.12 0.01 -1.26 0.12 113.70 113.17 1m0v s SER 92 Ca 0.12 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1m0v s SER 92 Cb 0.03 -1.46 0.00 0.00 0.21 0.00 0.00 66.02 64.80 1m0v s SER 92 CO -0.03 -0.11 0.00 1.33 0.41 0.00 0.00 173.24 174.84 1m0v n VAL 93 N -1.29 0.00 -0.15 3.43 0.24 0.35 -4.69 118.33 116.22 1m0v n VAL 93 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1m0v n VAL 93 Cb 0.58 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 1m0v n VAL 93 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1m0v n GLY 94 N -0.65 1.52 2.59 7.63 0.00 -1.26 -0.12 105.19 114.91 1m0v n GLY 94 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 1m0v n GLY 94 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m0v n ASN 95 N 0.19 -1.52 0.00 1.61 6.94 -1.26 -2.95 115.26 118.27 1m0v n ASN 95 Ca 0.00 0.36 0.00 0.00 -0.02 0.00 0.00 54.58 54.92 1m0v n ASN 95 Cb 0.03 -1.41 0.00 0.00 -2.36 0.00 0.00 39.78 36.04 1m0v n ASN 95 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1m0v n GLY 96 N -0.58 0.03 3.90 4.83 0.00 -1.26 -5.10 105.19 107.00 1m0v n GLY 96 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 1m0v n GLY 96 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m0v s ASN 97 N 0.00 5.38 0.12 1.61 0.01 0.83 -2.39 114.94 120.49 1m0v s ASN 97 Ca 0.00 -0.50 -0.03 0.00 -0.71 0.00 0.00 52.86 51.62 1m0v s ASN 97 Cb 0.00 -0.88 -0.03 0.00 0.41 0.00 0.00 41.25 40.74 1m0v s ASN 97 CO 0.00 -0.48 0.09 -0.55 -1.51 0.00 0.00 177.10 174.65 1m0v s SER 98 N -4.09 0.28 0.11 -1.22 0.15 0.70 0.13 113.70 109.76 1m0v s SER 98 Ca 0.45 -1.07 0.03 0.00 0.70 0.00 0.00 55.95 56.06 1m0v s SER 98 Cb -0.06 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1m0v s SER 98 CO 0.28 -0.73 0.12 0.54 1.20 0.00 0.00 173.24 174.65 1m0v s VAL 99 N -4.00 4.64 -0.43 4.45 0.11 0.33 0.17 120.40 125.68 1m0v s VAL 99 Ca 0.18 -0.81 -0.12 0.00 -2.93 0.00 0.00 61.98 58.30 1m0v s VAL 99 Cb 0.07 -3.29 0.07 0.00 -1.53 0.00 0.00 36.38 31.70 1m0v s VAL 99 CO -0.02 0.05 0.29 -0.22 -3.33 0.00 0.00 175.10 171.88 1m0v s LEU 100 N -2.65 5.24 -0.29 2.54 1.98 -0.99 -1.48 118.68 123.03 1m0v s LEU 100 Ca 0.31 -1.36 0.03 0.00 -2.89 0.00 0.00 54.13 50.21 1m0v s LEU 100 Cb -0.12 -2.06 0.08 0.00 0.66 0.00 0.00 46.19 44.75 1m0v s LEU 100 CO 0.23 -0.55 -0.02 -0.69 -1.89 0.00 0.00 176.35 173.43 1m0v s VAL 101 N 1.52 1.97 0.03 1.68 1.01 -0.20 -4.30 120.40 122.10 1m0v s VAL 101 Ca 0.03 -1.78 -0.09 0.00 0.00 0.00 0.00 61.98 60.14 1m0v s VAL 101 Cb -0.23 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1m0v s VAL 101 CO 0.04 -0.30 0.19 -0.44 0.00 0.00 0.00 175.10 174.59 1m0v s SER 102 N 1.13 0.02 0.00 3.32 0.01 -1.25 0.44 113.70 117.37 1m0v s SER 102 Ca 0.00 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1m0v s SER 102 Cb -0.19 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1m0v s SER 102 CO -0.08 -0.50 0.00 0.18 0.41 0.00 0.00 173.24 173.25 1m0v n LEU 103 N 0.91 0.00 -1.78 2.44 7.99 -0.62 -4.84 117.00 121.10 1m0v n LEU 103 Ca -0.20 0.00 0.04 0.00 -0.01 0.00 0.00 56.01 55.84 1m0v n LEU 103 Cb 0.58 0.00 0.36 0.00 -0.11 0.00 0.00 43.42 44.25 1m0v n LEU 103 CO 0.22 0.00 0.90 0.54 -1.51 0.00 0.00 177.39 177.54 1m0v n ARG 104 N 0.00 4.29 0.00 3.23 3.00 0.18 -4.93 116.66 122.43 1m0v n ARG 104 Ca 0.00 -3.11 0.00 0.00 -0.01 0.00 0.00 57.85 54.73 1m0v n ARG 104 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 32.46 30.26 1m0v n ARG 104 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1m0v n SER 105 N 0.23 0.00 -4.28 0.55 7.64 -1.26 -4.85 113.62 111.66 1m0v n SER 105 Ca 0.31 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 1m0v n SER 105 Cb 1.21 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 64.33 1m0v n SER 105 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1m0v s ASP 106 N 0.00 5.81 0.01 6.43 1.01 0.39 -4.75 116.67 125.56 1m0v s ASP 106 Ca 0.00 -1.63 -0.29 0.00 0.71 0.00 0.00 52.55 51.34 1m0v s ASP 106 Cb 0.00 -2.05 0.10 0.00 1.01 0.00 0.00 42.92 41.97 1m0v s ASP 106 CO 0.00 -0.64 0.96 -1.58 0.21 0.00 0.00 175.17 174.12 1m0v s GLN 107 N 1.46 0.82 -0.29 8.23 0.74 -1.00 -3.76 119.66 125.87 1m0v s GLN 107 Ca 0.04 -0.35 -0.15 0.00 0.05 0.00 0.00 55.36 54.95 1m0v s GLN 107 Cb -0.25 0.35 0.13 0.00 1.10 0.00 0.00 33.01 34.33 1m0v s GLN 107 CO 0.02 -0.37 0.85 1.41 -0.55 0.00 0.00 175.29 176.65 1m0v s MET 108 N -3.04 0.48 0.29 1.67 1.75 -1.16 -4.34 119.30 114.95 1m0v s MET 108 Ca 0.07 0.97 0.07 0.00 -1.25 0.00 0.00 55.69 55.55 1m0v s MET 108 Cb -0.01 0.32 -0.02 0.00 2.84 0.00 0.00 34.83 37.95 1m0v s MET 108 CO -0.06 -0.12 0.33 0.95 -0.65 0.00 0.00 175.02 175.47 1m0v s THR 109 N 1.94 4.30 0.08 10.11 -4.23 -1.26 -3.72 115.64 122.85 1m0v s THR 109 Ca -0.07 -1.19 -0.15 0.00 -1.18 0.00 0.00 61.69 59.09 1m0v s THR 109 Cb -0.06 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.29 1m0v s THR 109 CO -0.17 -0.25 1.24 0.18 -0.54 0.00 0.00 174.62 175.07 1m0v n LEU 110 N -1.41 -0.53 -0.14 4.79 4.77 0.20 -0.83 117.00 123.85 1m0v n LEU 110 Ca -0.04 1.36 -0.07 0.00 -0.03 0.00 0.00 56.01 57.22 1m0v n LEU 110 Cb 0.58 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1m0v n LEU 110 CO 0.43 -0.96 0.49 -0.61 -1.33 0.00 0.00 177.39 175.42 1m0v h GLN 111 N 0.00 -0.14 -0.97 3.23 5.75 -1.93 0.22 115.11 121.28 1m0v h GLN 111 Ca 0.08 0.01 0.30 0.00 -0.15 0.00 0.00 58.65 58.89 1m0v h GLN 111 Cb 0.20 0.03 -0.15 0.00 1.07 0.00 0.00 27.48 28.63 1m0v h GLN 111 CO -0.47 -0.09 0.43 -0.44 -2.65 0.00 0.00 178.83 175.61 1m0v h ASP 112 N -0.14 0.28 0.50 -0.69 3.32 -1.68 0.62 116.42 118.63 1m0v h ASP 112 Ca 0.06 0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1m0v h ASP 112 Cb 0.30 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1m0v h ASP 112 CO -0.41 -0.19 -0.24 0.00 -1.72 0.00 0.00 179.24 176.68 1m0v h ALA 113 N 1.85 -1.18 -0.23 3.45 0.00 0.14 -1.65 119.26 121.65 1m0v h ALA 113 Ca 0.68 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.51 1m0v h ALA 113 Cb 1.54 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1m0v h ALA 113 CO -0.66 -1.13 0.26 1.57 0.00 0.00 0.00 179.25 179.29 1m0v h LYS 114 N -0.67 0.00 0.40 0.00 2.10 0.31 0.14 116.57 118.85 1m0v h LYS 114 Ca -0.07 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.56 1m0v h LYS 114 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1m0v h LYS 114 CO 0.11 0.00 -0.19 0.28 -2.00 0.00 0.00 179.45 177.65 1m0v h VAL 115 N 0.00 0.00 -0.06 0.07 2.07 0.57 0.79 116.25 119.70 1m0v h VAL 115 Ca 0.11 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1m0v h VAL 115 Cb 0.62 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1m0v h VAL 115 CO -0.00 0.00 -0.16 -0.07 0.02 0.00 0.00 177.57 177.36 1m0v h LEU 116 N -0.68 0.08 -0.11 2.57 4.07 -0.97 -1.67 115.31 118.59 1m0v h LEU 116 Ca -0.06 -0.02 -0.13 0.00 0.08 0.00 0.00 57.88 57.76 1m0v h LEU 116 Cb 0.41 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 1m0v h LEU 116 CO 0.09 0.25 -0.61 -0.07 -1.08 0.00 0.00 178.44 177.02 1m0v h LEU 117 N 0.08 0.00 -0.10 1.67 4.07 -0.72 1.16 115.31 121.47 1m0v h LEU 117 Ca 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 1m0v h LEU 117 Cb 0.34 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.07 1m0v h LEU 117 CO 0.02 0.61 -0.00 -0.08 -1.08 0.00 0.00 178.44 177.91 1m0v h GLU 118 N 0.00 0.18 0.00 1.13 4.22 0.15 0.84 114.58 121.10 1m0v h GLU 118 Ca -0.01 -0.06 -0.08 0.00 0.08 0.00 0.00 59.36 59.29 1m0v h GLU 118 Cb 1.42 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1m0v h GLU 118 CO 0.08 0.44 -0.39 0.00 -2.18 0.00 0.00 179.01 176.96 1m0v h ALA 119 N 0.73 0.89 0.57 2.92 0.00 -1.32 -0.05 119.26 123.00 1m0v h ALA 119 Ca 0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1m0v h ALA 119 Cb 0.36 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1m0v h ALA 119 CO 0.01 0.49 -0.27 0.00 0.00 0.00 0.00 179.25 179.47 1m0v h ALA 120 N 1.61 -0.77 -0.25 0.00 0.00 0.20 -0.69 119.26 119.36 1m0v h ALA 120 Ca -0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1m0v h ALA 120 Cb 1.03 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1m0v h ALA 120 CO 0.05 -0.71 -0.14 1.37 0.00 0.00 0.00 179.25 179.81 1m0v h LEU 121 N -1.19 0.41 -0.41 0.00 8.10 0.63 1.11 115.31 123.96 1m0v h LEU 121 Ca -0.08 -0.10 0.02 0.00 0.11 0.00 0.00 57.88 57.83 1m0v h LEU 121 Cb 0.58 -0.11 -0.03 0.00 -0.44 0.00 0.00 40.66 40.66 1m0v h LEU 121 CO 0.13 0.58 0.22 -0.09 -4.11 0.00 0.00 178.44 175.17 1m0v h ARG 122 N 0.39 0.43 0.00 0.17 2.43 -1.00 3.25 114.38 120.05 1m0v h ARG 122 Ca 0.07 -0.03 -0.32 0.00 -0.81 0.00 0.00 59.98 58.90 1m0v h ARG 122 Cb 0.49 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.88 1m0v h ARG 122 CO 0.03 0.29 -2.00 0.94 -1.51 0.00 0.00 179.97 177.72 1m0v n GLN 123 N -4.89 0.66 -0.01 0.20 7.27 -0.27 -4.71 117.38 115.62 1m0v n GLN 123 Ca 0.02 0.16 -0.01 0.00 0.07 0.00 0.00 57.00 57.23 1m0v n GLN 123 Cb 0.08 -1.67 -0.00 0.00 2.41 0.00 0.00 30.24 31.05 1m0v n GLN 123 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1m0v n GLU 124 N -2.91 0.08 -0.03 3.69 -0.58 0.38 -4.96 120.64 116.31 1m0v n GLU 124 Ca -0.24 0.13 -0.03 0.00 -0.42 0.00 0.00 57.16 56.60 1m0v n GLU 124 Cb 1.09 -0.74 -0.01 0.00 -0.57 0.00 0.00 31.44 31.21 1m0v n GLU 124 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1m0v n SER 125 N -2.75 0.76 -1.64 1.62 3.41 -1.07 -4.67 113.62 109.27 1m0v n SER 125 Ca -0.02 0.22 -0.01 0.00 -0.26 0.00 0.00 58.87 58.80 1m0v n SER 125 Cb 0.07 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 1m0v n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1m0v n GLY 126 N 1.55 -0.66 2.69 5.00 0.00 1.08 -1.16 105.19 113.68 1m0v n GLY 126 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1m0v n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m0v n ALA 127 N -0.63 0.00 0.00 4.61 0.00 -1.26 -3.91 120.51 119.32 1m0v n ALA 127 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1m0v n ALA 127 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1m0v n ALA 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1m0v n ARG 128 N 0.00 0.00 0.27 0.00 1.74 -1.26 -4.66 116.66 112.76 1m0v n ARG 128 Ca 0.00 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.23 1m0v n ARG 128 Cb 0.00 0.00 0.87 0.00 -1.02 0.00 0.00 32.46 32.31 1m0v n ARG 128 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1m0v h GLY 129 N 0.00 0.00 0.00 -0.13 0.00 -1.26 -3.49 103.07 98.19 1m0v h GLY 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1m0v h GLY 129 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40