#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iab s VAL 5 N 0.00 4.63 -0.05 1.61 1.01 -1.26 -2.83 120.40 123.52 3iab s VAL 5 Ca 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.82 3iab s VAL 5 Cb 0.00 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 3iab s VAL 5 CO 0.00 0.54 -0.20 -0.31 0.00 0.00 0.00 175.10 175.13 3iab s TYR 6 N -0.99 1.98 -0.03 5.22 2.02 -0.12 -0.85 117.35 124.57 3iab s TYR 6 Ca 0.16 -0.58 0.04 0.00 -0.37 0.00 0.00 57.07 56.32 3iab s TYR 6 Cb -0.12 -1.32 -0.00 0.00 -0.40 0.00 0.00 41.96 40.12 3iab s TYR 6 CO 0.06 -0.19 -0.16 -0.47 -1.57 0.00 0.00 175.55 173.22 3iab s TYR 7 N -0.02 1.58 -1.45 2.71 5.04 0.69 -0.42 117.35 125.47 3iab s TYR 7 Ca -0.04 -0.41 -0.02 0.00 -2.44 0.00 0.00 57.07 54.15 3iab s TYR 7 Cb -0.12 -1.06 0.02 0.00 0.35 0.00 0.00 41.96 41.15 3iab s TYR 7 CO 0.03 -0.13 0.43 -1.71 -1.34 0.00 0.00 175.55 172.84 3iab n ASN 8 N 3.06 -0.61 0.00 4.32 5.15 -1.26 -0.78 115.26 125.13 3iab n ASN 8 Ca -0.17 -1.03 0.00 0.00 -0.60 0.00 0.00 54.58 52.78 3iab n ASN 8 Cb 0.53 -2.92 0.00 0.00 -0.53 0.00 0.00 39.78 36.86 3iab n ASN 8 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3iab n GLU 9 N -4.42 0.00 -4.48 1.20 1.02 -1.26 -4.97 120.64 107.73 3iab n GLU 9 Ca -0.26 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.54 3iab n GLU 9 Cb 0.66 -3.68 -0.12 0.00 -0.02 0.00 0.00 31.44 28.28 3iab n GLU 9 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3iab s ILE 10 N -2.16 3.76 0.36 -3.67 1.01 0.04 -5.08 121.20 115.46 3iab s ILE 10 Ca 0.00 -0.41 -0.28 0.00 0.00 0.00 0.00 60.65 59.96 3iab s ILE 10 Cb 0.00 -2.63 -0.11 0.00 0.01 0.00 0.00 42.46 39.74 3iab s ILE 10 CO 0.00 0.51 1.40 -0.55 0.00 0.00 0.00 174.94 176.30 3iab s SER 11 N 0.25 6.52 0.07 3.58 0.15 -1.26 -0.22 113.70 122.78 3iab s SER 11 Ca -0.04 2.87 0.04 0.00 0.70 0.00 0.00 55.95 59.53 3iab s SER 11 Cb -0.14 -2.66 -0.03 0.00 -1.71 0.00 0.00 66.02 61.48 3iab s SER 11 CO 0.03 -0.73 -0.12 -0.13 1.20 0.00 0.00 173.24 173.49 3iab s ARG 12 N -1.98 0.75 -1.23 5.44 1.81 -0.03 -4.86 118.95 118.86 3iab s ARG 12 Ca 0.51 -0.93 -0.18 0.00 -1.72 0.00 0.00 55.73 53.41 3iab s ARG 12 Cb -0.43 -0.66 0.08 0.00 -0.45 0.00 0.00 34.95 33.49 3iab s ARG 12 CO 0.58 0.14 1.64 0.34 -0.68 0.00 0.00 175.30 177.32 3iab s ASP 13 N -1.79 6.80 0.04 0.23 3.68 -1.26 -4.20 116.67 120.16 3iab s ASP 13 Ca -0.03 -2.32 0.01 0.00 2.13 0.00 0.00 52.55 52.35 3iab s ASP 13 Cb -0.09 -2.56 -0.02 0.00 -1.45 0.00 0.00 42.92 38.80 3iab s ASP 13 CO 0.02 -1.19 -0.06 -0.76 0.13 0.00 0.00 175.17 173.31 3iab s LEU 14 N 4.06 2.26 -0.29 -1.34 1.43 -1.26 -5.09 118.68 118.45 3iab s LEU 14 Ca 0.51 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 3iab s LEU 14 Cb 0.02 -0.07 0.06 0.00 0.03 0.00 0.00 46.19 46.24 3iab s LEU 14 CO 0.04 -0.24 -0.03 -0.62 0.23 0.00 0.00 176.35 175.72 3iab s ASP 15 N -1.57 4.69 0.40 2.29 2.15 -1.26 -4.41 116.67 118.96 3iab s ASP 15 Ca -0.12 -1.50 0.19 0.00 0.43 0.00 0.00 52.55 51.55 3iab s ASP 15 Cb -0.10 -1.63 1.11 0.00 -0.30 0.00 0.00 42.92 42.00 3iab s ASP 15 CO -0.00 -0.26 1.78 0.40 -0.17 0.00 0.00 175.17 176.91 3iab h ILE 16 N 6.62 0.53 0.00 4.11 1.08 -2.00 0.58 117.51 128.43 3iab h ILE 16 Ca -0.17 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.14 3iab h ILE 16 Cb 1.04 0.11 -0.00 0.00 -3.07 0.00 0.00 36.82 34.90 3iab h ILE 16 CO 0.51 0.07 -0.11 0.77 -0.69 0.00 0.00 178.15 178.69 3iab h SER 17 N 0.39 0.00 -3.39 1.72 4.64 -2.05 -3.39 113.55 111.46 3iab h SER 17 Ca 0.59 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 61.26 3iab h SER 17 Cb 1.50 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.44 3iab h SER 17 CO -0.28 0.11 0.25 -0.55 -0.87 0.00 0.00 176.83 175.49 3iab s SER 18 N -6.26 6.31 0.08 4.97 0.15 0.19 -4.91 113.70 114.23 3iab s SER 18 Ca -0.03 -0.49 -0.16 0.00 0.70 0.00 0.00 55.95 55.97 3iab s SER 18 Cb 0.14 -2.35 -0.10 0.00 -1.71 0.00 0.00 66.02 62.00 3iab s SER 18 CO 0.59 -0.95 1.41 0.77 1.20 0.00 0.00 173.24 176.27 3iab h SER 19 N 9.04 0.63 -0.67 5.45 4.64 -1.83 -1.75 113.55 129.06 3iab h SER 19 Ca -0.26 -0.46 0.13 0.00 -0.47 0.00 0.00 61.79 60.73 3iab h SER 19 Cb 1.09 -0.18 -0.13 0.00 -0.31 0.00 0.00 62.40 62.87 3iab h SER 19 CO 0.97 0.96 -0.23 0.74 -0.87 0.00 0.00 176.83 178.40 3iab h THR 20 N 0.31 0.25 -0.21 2.95 2.02 -1.96 0.22 112.91 116.50 3iab h THR 20 Ca 0.04 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.10 3iab h THR 20 Cb 0.77 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3iab h THR 20 CO 0.06 0.00 -0.35 -0.61 0.37 0.00 0.00 175.52 174.99 3iab h GLN 21 N -0.05 0.60 -0.06 6.66 4.15 -1.89 -3.06 115.11 121.46 3iab h GLN 21 Ca 0.30 -0.37 -0.20 0.00 0.77 0.00 0.00 58.65 59.15 3iab h GLN 21 Cb 0.53 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.26 3iab h GLN 21 CO -0.72 0.98 -0.79 0.00 -1.93 0.00 0.00 178.83 176.37 3iab h LEU 23 N 0.29 0.82 -0.36 0.00 3.38 -0.66 -1.69 115.31 117.08 3iab h LEU 23 Ca -0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 3iab h LEU 23 Cb 1.39 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 3iab h LEU 23 CO 0.14 0.96 0.16 -0.09 0.09 0.00 0.00 178.44 179.70 3iab h ARG 24 N 0.74 0.54 -0.84 1.13 2.43 -1.51 -1.62 114.38 115.24 3iab h ARG 24 Ca 0.12 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3iab h ARG 24 Cb 0.63 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 3iab h ARG 24 CO 0.04 0.50 0.55 0.35 -1.51 0.00 0.00 179.97 179.90 3iab h PHE 25 N 0.45 1.02 -0.06 2.20 3.04 -1.31 0.16 116.94 122.45 3iab h PHE 25 Ca 0.12 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.12 3iab h PHE 25 Cb 0.16 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.31 3iab h PHE 25 CO -0.01 0.60 -0.06 -0.07 -2.02 0.00 0.00 178.31 176.75 3iab h LEU 26 N 1.07 -0.17 -0.32 0.59 3.38 -1.08 0.09 115.31 118.86 3iab h LEU 26 Ca 0.33 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 3iab h LEU 26 Cb -0.01 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3iab h LEU 26 CO -0.11 -0.08 0.10 0.50 0.09 0.00 0.00 178.44 178.94 3iab h LYS 27 N -0.07 0.50 0.00 1.13 3.64 -0.74 0.25 116.57 121.28 3iab h LYS 27 Ca 0.04 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 3iab h LYS 27 Cb 0.13 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3iab h LYS 27 CO -0.10 0.55 -0.55 0.93 -2.27 0.00 0.00 179.45 178.01 3iab h GLU 28 N 0.36 0.00 0.00 1.90 5.08 -0.65 -3.40 114.58 117.88 3iab h GLU 28 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3iab h GLU 28 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3iab h GLU 28 CO -0.00 0.28 -0.36 2.41 -1.00 0.00 0.00 179.01 180.34 3iab n THR 29 N -3.09 0.72 0.06 1.13 -1.04 0.01 -4.79 114.28 107.27 3iab n THR 29 Ca 0.01 0.24 -0.13 0.00 -2.04 0.00 0.00 64.05 62.13 3iab n THR 29 Cb 0.67 -1.49 -0.09 0.00 -1.82 0.00 0.00 70.33 67.60 3iab n THR 29 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3iab h VAL 30 N 0.00 1.07 -0.38 12.58 2.07 -1.07 -2.53 116.25 127.99 3iab h VAL 30 Ca 0.00 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3iab h VAL 30 Cb 0.36 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3iab h VAL 30 CO 0.00 0.18 0.21 0.40 0.02 0.00 0.00 177.57 178.38 3iab h ILE 31 N -0.51 1.14 -0.39 4.57 1.08 -1.21 -1.85 117.51 120.33 3iab h ILE 31 Ca -0.02 -0.37 -0.00 0.00 -0.39 0.00 0.00 64.86 64.09 3iab h ILE 31 Cb 0.42 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.85 3iab h ILE 31 CO 0.03 0.15 0.24 -0.65 -0.69 0.00 0.00 178.15 177.22 3iab h PRO 32 N 0.48 0.52 0.00 2.37 0.11 -1.76 -1.01 132.00 132.71 3iab h PRO 32 Ca 0.13 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3iab h PRO 32 Cb 0.05 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.05 3iab h PRO 32 CO -0.02 0.36 0.00 0.45 -0.21 0.00 0.00 178.00 178.58 3iab n SER 33 N -4.46 0.00 0.00 -2.05 2.88 -0.70 -2.66 113.62 106.62 3iab n SER 33 Ca 0.03 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 3iab n SER 33 Cb 0.07 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 3iab n SER 33 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3iab n LEU 34 N -1.32 0.00 -3.70 2.46 4.77 -0.63 -5.06 117.00 113.52 3iab n LEU 34 Ca 0.01 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 3iab n LEU 34 Cb 0.01 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.93 3iab n LEU 34 CO 0.01 0.00 -0.34 0.00 -1.33 0.00 0.00 177.39 175.74 3iab s ALA 35 N -1.54 0.16 -0.31 -1.18 0.00 -0.48 -4.50 121.76 113.91 3iab s ALA 35 Ca 0.00 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 3iab s ALA 35 Cb 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 3iab s ALA 35 CO 0.00 -0.37 0.20 -0.80 0.00 0.00 0.00 175.76 174.79 3iab s ASN 36 N 1.82 5.91 0.00 0.00 -0.87 -1.26 -4.38 114.94 116.16 3iab s ASN 36 Ca 0.00 -0.29 0.25 0.00 -1.57 0.00 0.00 52.86 51.25 3iab s ASN 36 Cb -0.12 -2.10 0.45 0.00 -0.02 0.00 0.00 41.25 39.46 3iab s ASN 36 CO -0.03 -0.16 1.37 -3.20 -2.57 0.00 0.00 177.10 172.51 3iab n ASN 37 N 5.06 0.68 -0.04 -1.22 4.05 -1.26 -4.41 115.26 118.12 3iab n ASN 37 Ca -0.13 -0.47 -0.16 0.00 0.45 0.00 0.00 54.58 54.27 3iab n ASN 37 Cb 0.50 0.33 -0.08 0.00 1.23 0.00 0.00 39.78 41.76 3iab n ASN 37 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 3iab h GLY 38 N 4.98 0.61 0.26 8.20 0.00 -1.94 -3.31 103.07 111.88 3iab h GLY 38 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.51 3iab h GLY 38 CO 0.00 0.73 -0.03 1.16 0.00 0.00 0.00 176.54 178.40 3iab n ASN 39 N -4.23 0.83 -3.93 0.19 0.23 -1.26 -4.95 115.26 102.14 3iab n ASN 39 Ca -0.07 -1.15 -0.26 0.00 -0.53 0.00 0.00 54.58 52.57 3iab n ASN 39 Cb 0.59 -0.01 -0.08 0.00 -2.08 0.00 0.00 39.78 38.20 3iab n ASN 39 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3iab s ASN 40 N -2.11 2.77 -0.34 0.53 2.20 -1.25 -5.07 114.94 111.68 3iab s ASN 40 Ca 0.39 -1.75 0.05 0.00 -0.94 0.00 0.00 52.86 50.61 3iab s ASN 40 Cb 0.21 0.61 0.56 0.00 -2.00 0.00 0.00 41.25 40.63 3iab s ASN 40 CO 0.38 -1.01 1.70 -1.54 -2.94 0.00 0.00 177.10 173.70 3iab n SER 41 N -1.49 3.81 -4.91 3.54 3.41 -1.26 -4.97 113.62 111.75 3iab n SER 41 Ca -0.04 -3.21 -0.29 0.00 -0.26 0.00 0.00 58.87 55.06 3iab n SER 41 Cb 0.64 -0.75 -0.04 0.00 -0.26 0.00 0.00 64.21 63.80 3iab n SER 41 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3iab s THR 42 N -2.62 5.27 -0.36 6.66 -4.23 -1.26 -3.42 115.64 115.67 3iab s THR 42 Ca 0.46 -0.53 0.04 0.00 -1.18 0.00 0.00 61.69 60.48 3iab s THR 42 Cb 0.38 -3.61 0.10 0.00 1.34 0.00 0.00 72.50 70.71 3iab s THR 42 CO 0.10 0.07 0.08 -0.55 -0.54 0.00 0.00 174.62 173.77 3iab s SER 43 N -2.72 4.69 -0.16 3.99 0.15 -0.87 -4.94 113.70 113.83 3iab s SER 43 Ca 0.34 -2.26 -0.24 0.00 0.70 0.00 0.00 55.95 54.49 3iab s SER 43 Cb -0.12 -1.61 -0.02 0.00 -1.71 0.00 0.00 66.02 62.56 3iab s SER 43 CO 0.27 -0.36 0.77 -0.63 1.20 0.00 0.00 173.24 174.49 3iab s ILE 44 N 0.76 4.93 -0.20 6.45 1.01 -1.26 -2.01 121.20 130.88 3iab s ILE 44 Ca 0.12 1.50 -0.05 0.00 0.00 0.00 0.00 60.65 62.22 3iab s ILE 44 Cb -0.20 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 3iab s ILE 44 CO -0.07 0.07 -0.00 -1.10 0.00 0.00 0.00 174.94 173.84 3iab s GLN 45 N 1.95 3.61 0.03 2.79 -1.52 0.62 -4.98 119.66 122.16 3iab s GLN 45 Ca 0.36 -0.52 -0.15 0.00 -1.95 0.00 0.00 55.36 53.09 3iab s GLN 45 Cb -0.16 -3.08 -0.06 0.00 -0.22 0.00 0.00 33.01 29.49 3iab s GLN 45 CO 0.13 0.01 0.45 0.71 -0.25 0.00 0.00 175.29 176.34 3iab s TYR 46 N 0.99 3.73 -0.37 0.91 1.51 -1.26 0.45 117.35 123.31 3iab s TYR 46 Ca 0.02 1.05 0.03 0.00 -1.01 0.00 0.00 57.07 57.16 3iab s TYR 46 Cb -0.14 -2.33 0.16 0.00 -0.11 0.00 0.00 41.96 39.53 3iab s TYR 46 CO 0.02 0.61 0.37 -1.58 -1.11 0.00 0.00 175.55 173.86 3iab s HIS 47 N -1.13 -0.25 0.34 2.71 2.46 -0.16 -4.92 115.29 114.35 3iab s HIS 47 Ca 0.26 -0.88 -0.25 0.00 0.47 0.00 0.00 55.06 54.67 3iab s HIS 47 Cb -0.17 -0.43 -0.10 0.00 -0.13 0.00 0.00 32.58 31.75 3iab s HIS 47 CO 0.15 -0.96 0.95 0.20 -2.47 0.00 0.00 174.74 172.61 3iab s GLY 48 N 1.39 2.74 -0.06 1.59 0.00 -1.26 -2.28 107.32 109.44 3iab s GLY 48 Ca 0.17 0.52 0.03 0.00 0.00 0.00 0.00 44.72 45.44 3iab s GLY 48 CO -0.03 0.94 -0.14 -0.42 0.00 0.00 0.00 173.10 173.46 3iab s ILE 49 N -1.70 1.21 0.31 0.90 1.01 -0.76 -4.94 121.20 117.24 3iab s ILE 49 Ca 0.52 -0.55 0.09 0.00 0.00 0.00 0.00 60.65 60.71 3iab s ILE 49 Cb -0.18 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 3iab s ILE 49 CO 0.23 0.37 0.09 -0.94 0.00 0.00 0.00 174.94 174.69 3iab s SER 50 N 0.46 4.66 0.51 3.58 1.04 -1.26 -4.63 113.70 118.05 3iab s SER 50 Ca -0.11 -0.72 0.32 0.00 0.48 0.00 0.00 55.95 55.93 3iab s SER 50 Cb -0.14 -0.79 1.76 0.00 0.10 0.00 0.00 66.02 66.95 3iab s SER 50 CO 0.03 -0.19 1.99 0.07 0.98 0.00 0.00 173.24 176.12 3iab h LYS 51 N 1.66 0.00 -0.01 4.02 2.10 -1.84 -2.17 116.57 120.33 3iab h LYS 51 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 3iab h LYS 51 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3iab h LYS 51 CO 0.62 0.00 -0.19 0.09 -2.00 0.00 0.00 179.45 177.97 3iab n ASN 52 N -2.67 1.62 -4.74 7.07 5.03 -1.26 -4.95 115.26 115.37 3iab n ASN 52 Ca -0.02 -1.34 -0.41 0.00 0.87 0.00 0.00 54.58 53.68 3iab n ASN 52 Cb 0.10 0.14 -0.03 0.00 -1.02 0.00 0.00 39.78 38.97 3iab n ASN 52 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3iab s ASP 53 N -2.29 7.08 0.08 6.41 -0.00 -0.82 -5.00 116.67 122.13 3iab s ASP 53 Ca 0.28 2.25 -0.30 0.00 -0.00 0.00 0.00 52.55 54.77 3iab s ASP 53 Cb 0.20 -2.61 -0.06 0.00 -0.00 0.00 0.00 42.92 40.45 3iab s ASP 53 CO 0.45 -0.38 1.20 0.21 -0.00 0.00 0.00 175.17 176.64 3iab s ASN 54 N 0.13 7.09 0.04 0.27 3.84 -1.26 -4.96 114.94 120.08 3iab s ASN 54 Ca 0.53 2.05 -0.23 0.00 0.21 0.00 0.00 52.86 55.41 3iab s ASN 54 Cb -0.33 -2.58 -0.16 0.00 -0.55 0.00 0.00 41.25 37.63 3iab s ASN 54 CO 0.37 -0.45 1.49 0.40 -2.79 0.00 0.00 177.10 176.12 3iab h ILE 55 N 4.39 1.23 0.00 -5.21 2.04 -1.96 -1.99 117.51 116.01 3iab h ILE 55 Ca -0.42 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 64.78 3iab h ILE 55 Cb 1.21 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.84 3iab h ILE 55 CO 0.80 0.19 -0.21 0.50 0.00 0.00 0.00 178.15 179.43 3iab h LYS 56 N -0.18 -0.32 -0.22 2.37 3.64 -2.00 -0.30 116.57 119.57 3iab h LYS 56 Ca 0.02 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3iab h LYS 56 Cb 0.29 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3iab h LYS 56 CO 0.00 -0.21 -0.10 0.87 -2.27 0.00 0.00 179.45 177.74 3iab h LYS 57 N -0.33 0.35 0.05 1.90 1.57 -1.98 -2.17 116.57 115.96 3iab h LYS 57 Ca 0.06 -0.08 -0.25 0.00 -1.87 0.00 0.00 60.65 58.51 3iab h LYS 57 Cb 0.41 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.68 3iab h LYS 57 CO -0.19 0.46 -1.06 0.77 -0.57 0.00 0.00 179.45 178.86 3iab h SER 58 N 0.33 0.54 -0.47 0.86 0.02 -0.93 -2.22 113.55 111.69 3iab h SER 58 Ca 0.07 -0.48 -0.08 0.00 -0.84 0.00 0.00 61.79 60.46 3iab h SER 58 Cb 0.38 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3iab h SER 58 CO 0.02 1.30 -0.03 0.58 -1.14 0.00 0.00 176.83 177.57 3iab h VAL 59 N 0.19 1.27 -0.49 2.27 2.07 -0.95 -2.09 116.25 118.51 3iab h VAL 59 Ca -0.11 -1.10 0.10 0.00 0.82 0.00 0.00 66.70 66.40 3iab h VAL 59 Cb 1.73 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 32.46 3iab h VAL 59 CO 0.18 0.38 0.01 0.78 0.02 0.00 0.00 177.57 178.94 3iab h ASN 60 N 0.69 -0.20 -0.60 0.57 2.35 -1.39 -1.44 115.58 115.57 3iab h ASN 60 Ca 0.13 0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 3iab h ASN 60 Cb 0.54 0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.09 3iab h ASN 60 CO 0.03 -0.07 0.32 0.50 -1.65 0.00 0.00 177.43 176.56 3iab h LYS 61 N 0.12 0.84 -0.39 0.81 1.63 -1.25 -2.43 116.57 115.91 3iab h LYS 61 Ca 0.25 -0.11 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 3iab h LYS 61 Cb 0.37 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 3iab h LYS 61 CO -0.41 0.66 0.03 -0.07 -3.45 0.00 0.00 179.45 176.21 3iab h LEU 62 N 0.81 0.56 -0.93 5.20 3.38 -0.97 0.12 115.31 123.48 3iab h LEU 62 Ca 0.21 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3iab h LEU 62 Cb 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3iab h LEU 62 CO -0.03 0.61 0.19 0.44 0.09 0.00 0.00 178.44 179.74 3iab h ASP 63 N 0.58 0.90 -0.11 -0.43 3.32 -0.95 -0.64 116.42 119.08 3iab h ASP 63 Ca 0.12 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 3iab h ASP 63 Cb 0.32 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3iab h ASP 63 CO 0.01 0.85 -0.17 0.11 -1.72 0.00 0.00 179.24 178.32 3iab h LYS 64 N 0.94 0.31 -0.44 3.56 1.57 -0.92 -3.22 116.57 118.36 3iab h LYS 64 Ca 0.21 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3iab h LYS 64 Cb 0.28 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3iab h LYS 64 CO -0.01 0.76 0.19 1.96 -0.57 0.00 0.00 179.45 181.79 3iab h GLN 65 N -0.10 0.62 0.00 3.15 4.20 -0.62 -2.48 115.11 119.87 3iab h GLN 65 Ca 0.01 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3iab h GLN 65 Cb 0.73 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 3iab h GLN 65 CO 0.04 0.50 -0.13 0.97 -0.67 0.00 0.00 178.83 179.54 3iab h ILE 66 N 0.62 0.27 -3.00 2.54 6.09 -1.20 -3.42 117.51 119.43 3iab h ILE 66 Ca 0.16 -1.04 -0.66 0.00 -1.37 0.00 0.00 64.86 61.94 3iab h ILE 66 Cb 0.10 1.83 -0.38 0.00 0.47 0.00 0.00 36.82 38.84 3iab h ILE 66 CO -0.02 0.13 -0.29 0.59 -3.07 0.00 0.00 178.15 175.49 3iab n ASN 67 N -3.20 3.89 -0.05 2.19 3.02 -0.94 -4.81 115.26 115.35 3iab n ASN 67 Ca 0.02 -3.24 0.00 0.00 -0.03 0.00 0.00 54.58 51.32 3iab n ASN 67 Cb 0.46 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 3iab n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iab n ALA 69 N 1.83 -1.00 -2.10 5.41 0.00 -1.26 -5.01 120.51 118.39 3iab n ALA 69 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 3iab n ALA 69 Cb 0.37 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 3iab n ALA 69 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3iab s ASP 70 N -0.37 6.75 0.47 0.00 -1.08 -1.26 -4.91 116.67 116.27 3iab s ASP 70 Ca 0.00 2.39 0.27 0.00 -0.52 0.00 0.00 52.55 54.69 3iab s ASP 70 Cb 0.00 -2.58 0.72 0.00 -1.46 0.00 0.00 42.92 39.59 3iab s ASP 70 CO 0.00 -0.72 1.75 0.08 0.52 0.00 0.00 175.17 176.79 3iab h ARG 71 N 7.04 0.00 0.00 4.34 0.11 -1.98 -3.31 114.38 120.58 3iab h ARG 71 Ca -0.42 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.42 3iab h ARG 71 Cb 1.20 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.25 3iab h ARG 71 CO 0.89 0.00 -1.30 0.77 0.10 0.00 0.00 179.97 180.43 3iab h SER 72 N 0.00 0.01 0.07 0.08 0.02 -1.97 -3.33 113.55 108.43 3iab h SER 72 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3iab h SER 72 Cb 0.82 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 3iab h SER 72 CO 0.00 1.01 -0.05 0.18 -1.14 0.00 0.00 176.83 176.83 3iab n LEU 73 N -3.23 1.03 -2.89 5.07 4.77 -1.25 -4.94 117.00 115.57 3iab n LEU 73 Ca -0.07 -0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 55.46 3iab n LEU 73 Cb 0.99 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 42.11 3iab n LEU 73 CO 0.46 0.18 0.09 0.61 -1.33 0.00 0.00 177.39 177.40 3iab n GLY 74 N 1.18 -0.18 3.70 -0.72 0.00 -1.25 -5.02 105.19 102.89 3iab n GLY 74 Ca 0.18 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3iab n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iab s LEU 75 N -5.41 3.95 -0.17 0.99 1.43 -1.25 -5.04 118.68 113.18 3iab s LEU 75 Ca 0.02 0.19 -0.26 0.00 -1.03 0.00 0.00 54.13 53.05 3iab s LEU 75 Cb -0.01 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 3iab s LEU 75 CO 0.57 0.25 0.84 0.00 0.23 0.00 0.00 176.35 178.24 3iab s GLN 76 N -0.05 4.30 -0.35 1.70 -2.07 -1.22 -4.84 119.66 117.13 3iab s GLN 76 Ca 0.07 1.04 -0.29 0.00 -1.82 0.00 0.00 55.36 54.36 3iab s GLN 76 Cb -0.12 -3.58 0.02 0.00 -1.09 0.00 0.00 33.01 28.24 3iab s GLN 76 CO 0.01 -0.34 1.12 -0.65 -1.32 0.00 0.00 175.29 174.10 3iab s GLN 77 N 2.19 3.98 -0.13 9.60 -0.21 -1.26 -2.06 119.66 131.76 3iab s GLN 77 Ca 0.39 0.99 0.01 0.00 0.02 0.00 0.00 55.36 56.77 3iab s GLN 77 Cb -0.17 -3.79 0.02 0.00 1.00 0.00 0.00 33.01 30.07 3iab s GLN 77 CO 0.12 -1.03 -0.16 0.08 -2.12 0.00 0.00 175.29 172.19 3iab s VAL 78 N 3.90 1.63 -0.16 1.09 1.01 -0.85 -4.06 120.40 122.97 3iab s VAL 78 Ca 0.47 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 3iab s VAL 78 Cb -0.12 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3iab s VAL 78 CO 0.20 0.47 -0.03 -0.69 0.00 0.00 0.00 175.10 175.04 3iab s VAL 79 N 1.18 3.93 -0.46 2.92 1.01 0.14 -0.28 120.40 128.84 3iab s VAL 79 Ca -0.01 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 3iab s VAL 79 Cb -0.14 -2.73 0.10 0.00 0.00 0.00 0.00 36.38 33.61 3iab s VAL 79 CO -0.06 0.49 0.35 0.00 0.00 0.00 0.00 175.10 175.88 3iab s ILE 81 N 1.48 5.16 0.00 0.00 1.01 0.75 -0.99 121.20 128.62 3iab s ILE 81 Ca 0.04 0.71 -0.02 0.00 0.00 0.00 0.00 60.65 61.37 3iab s ILE 81 Cb -0.25 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 3iab s ILE 81 CO 0.02 0.19 0.04 0.72 0.00 0.00 0.00 174.94 175.91 3iab s PHE 82 N 1.74 0.09 0.31 3.97 -0.12 -0.97 0.17 117.98 123.17 3iab s PHE 82 Ca 0.18 -0.19 -0.19 0.00 -0.05 0.00 0.00 56.93 56.68 3iab s PHE 82 Cb -0.15 -0.08 0.05 0.00 -0.63 0.00 0.00 43.02 42.20 3iab s PHE 82 CO 0.09 -0.16 0.82 0.45 -0.05 0.00 0.00 175.22 176.37 3iab s SER 83 N -0.91 -0.09 -0.01 1.98 0.15 -0.54 -1.82 113.70 112.47 3iab s SER 83 Ca -0.10 -0.86 -0.09 0.00 0.70 0.00 0.00 55.95 55.60 3iab s SER 83 Cb -0.06 0.74 0.01 0.00 -1.71 0.00 0.00 66.02 64.99 3iab s SER 83 CO -0.00 -1.43 0.18 -0.72 1.20 0.00 0.00 173.24 172.48 3iab s TYR 84 N -2.86 -0.03 0.00 3.44 -0.85 -1.26 -0.75 117.35 115.04 3iab s TYR 84 Ca 0.15 -0.00 0.00 0.00 -0.52 0.00 0.00 57.07 56.70 3iab s TYR 84 Cb -0.05 -0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.29 3iab s TYR 84 CO 0.08 -0.30 0.00 0.41 -1.52 0.00 0.00 175.55 174.22 3iab n GLY 85 N 1.49 3.40 0.00 5.49 0.00 0.08 -1.93 105.19 113.72 3iab n GLY 85 Ca -0.22 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.00 3iab n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iab n PRO 86 N 14.00 0.04 0.00 1.61 -0.04 -1.26 -2.42 135.00 146.93 3iab n PRO 86 Ca 0.00 0.31 0.10 0.00 -0.04 0.00 0.00 63.50 63.87 3iab n PRO 86 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 3iab n PRO 86 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3iab n HIS 87 N -1.43 0.02 -0.05 0.54 8.25 -0.81 -4.43 115.22 117.30 3iab n HIS 87 Ca 0.03 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3iab n HIS 87 Cb 0.09 -0.10 0.30 0.00 1.12 0.00 0.00 29.99 31.39 3iab n HIS 87 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3iab h ILE 88 N 0.00 1.18 -0.10 1.59 2.04 -1.57 -3.03 117.51 117.62 3iab h ILE 88 Ca 0.00 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.28 3iab h ILE 88 Cb 0.56 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 3iab h ILE 88 CO 0.00 0.23 -0.21 1.56 0.00 0.00 0.00 178.15 179.73 3iab h GLN 89 N 0.63 -0.28 -1.83 2.37 4.20 -1.80 -0.83 115.11 117.57 3iab h GLN 89 Ca 0.15 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3iab h GLN 89 Cb 0.19 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3iab h GLN 89 CO -0.01 -0.19 0.00 1.17 -0.67 0.00 0.00 178.83 179.14 3iab n LYS 90 N -5.35 0.26 0.00 1.46 4.81 -1.15 -2.27 118.16 115.94 3iab n LYS 90 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 3iab n LYS 90 Cb 0.26 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 33.94 3iab n LYS 90 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3iab n LEU 92 N 1.22 0.00 0.29 3.14 4.77 -0.32 -1.70 117.00 124.40 3iab n LEU 92 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 3iab n LEU 92 Cb 0.13 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 3iab n LEU 92 CO 0.00 0.00 0.67 0.28 -1.33 0.00 0.00 177.39 177.01 3iab h SER 93 N 0.00 -0.59 -0.32 -1.43 0.02 -1.73 0.13 113.55 109.64 3iab h SER 93 Ca 0.00 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3iab h SER 93 Cb 0.00 0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.62 3iab h SER 93 CO 0.00 -0.39 -0.12 0.40 -1.14 0.00 0.00 176.83 175.58 3iab h ILE 94 N -0.74 0.59 0.12 3.27 2.04 -1.62 -1.19 117.51 119.99 3iab h ILE 94 Ca -0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.80 3iab h ILE 94 Cb 0.55 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3iab h ILE 94 CO 0.12 0.00 -0.15 0.25 0.00 0.00 0.00 178.15 178.37 3iab h LEU 95 N -0.06 -0.39 -0.63 1.44 5.85 -1.78 -1.53 115.31 118.21 3iab h LEU 95 Ca 0.16 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3iab h LEU 95 Cb 0.30 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3iab h LEU 95 CO -0.36 -0.22 0.08 -0.33 -0.34 0.00 0.00 178.44 177.27 3iab h GLU 96 N -0.31 1.05 -0.66 1.25 4.39 -0.54 -2.28 114.58 117.48 3iab h GLU 96 Ca 0.01 -0.29 -0.06 0.00 0.34 0.00 0.00 59.36 59.36 3iab h GLU 96 Cb 0.30 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3iab h GLU 96 CO -0.06 0.99 0.17 0.82 -1.16 0.00 0.00 179.01 179.77 3iab h ILE 97 N 0.96 1.26 -0.38 3.13 2.04 -1.20 -1.88 117.51 121.43 3iab h ILE 97 Ca 0.19 -0.93 0.04 0.00 1.00 0.00 0.00 64.86 65.16 3iab h ILE 97 Cb 0.46 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3iab h ILE 97 CO 0.02 0.35 0.15 0.15 0.00 0.00 0.00 178.15 178.82 3iab h PHE 98 N 0.97 0.27 -0.60 1.37 3.57 -0.96 -1.15 116.94 120.41 3iab h PHE 98 Ca 0.21 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 3iab h PHE 98 Cb 0.35 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3iab h PHE 98 CO 0.03 0.12 0.16 0.87 -2.23 0.00 0.00 178.31 177.26 3iab h LYS 99 N 0.32 0.93 -0.59 1.11 1.57 -1.32 -2.58 116.57 116.00 3iab h LYS 99 Ca 0.17 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3iab h LYS 99 Cb 0.13 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3iab h LYS 99 CO -0.16 0.81 0.35 -0.22 -0.57 0.00 0.00 179.45 179.66 3iab h LYS 100 N 0.89 0.66 0.00 3.15 3.64 -0.78 -1.48 116.57 122.66 3iab h LYS 100 Ca 0.20 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3iab h LYS 100 Cb 0.29 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3iab h LYS 100 CO -0.00 0.44 0.00 0.41 -2.27 0.00 0.00 179.45 178.02 3iab n GLY 101 N -1.26 -0.96 0.14 5.01 0.00 -0.49 -3.56 105.19 104.08 3iab n GLY 101 Ca 0.05 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 3iab n GLY 101 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3iab n TYR 102 N -0.86 0.00 0.49 1.61 9.36 -0.65 -4.59 117.16 122.51 3iab n TYR 102 Ca 0.16 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.51 3iab n TYR 102 Cb 0.08 -0.71 0.40 0.00 -0.63 0.00 0.00 39.34 38.47 3iab n TYR 102 CO 0.00 0.00 0.00 -0.84 0.22 0.00 0.00 176.86 176.24 3iab h ILE 103 N -0.12 0.00 0.00 2.97 -0.00 -1.39 -3.23 117.51 115.75 3iab h ILE 103 Ca -0.43 -0.52 -0.04 0.00 -0.00 0.00 0.00 64.86 63.87 3iab h ILE 103 Cb 1.61 1.47 -0.01 0.00 -0.00 0.00 0.00 36.82 39.89 3iab h ILE 103 CO -0.11 0.00 -0.21 0.07 -0.00 0.00 0.00 178.15 177.90 3iab h LYS 104 N 0.00 0.00 -0.01 0.16 2.10 -1.81 -1.70 116.57 115.31 3iab h LYS 104 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3iab h LYS 104 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 3iab h LYS 104 CO 0.00 0.21 0.00 0.09 -2.00 0.00 0.00 179.45 177.75 3iab n ASN 105 N -3.53 0.09 -1.92 7.07 3.02 -1.22 -4.86 115.26 113.91 3iab n ASN 105 Ca -0.01 -1.83 -0.17 0.00 -0.03 0.00 0.00 54.58 52.55 3iab n ASN 105 Cb 0.37 -0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.51 3iab n ASN 105 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3iab n ASN 106 N -0.54 -5.06 -4.99 6.41 5.15 -0.64 -5.03 115.26 110.56 3iab n ASN 106 Ca 0.05 0.01 -0.19 0.00 -0.60 0.00 0.00 54.58 53.85 3iab n ASN 106 Cb 0.03 -4.14 0.02 0.00 -0.53 0.00 0.00 39.78 35.16 3iab n ASN 106 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3iab s LYS 107 N -4.77 2.74 -0.11 1.20 1.02 -1.25 -5.07 119.74 113.50 3iab s LYS 107 Ca 0.00 -1.05 0.02 0.00 0.02 0.00 0.00 55.97 54.96 3iab s LYS 107 Cb 0.00 -2.66 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 3iab s LYS 107 CO 0.00 -0.42 -0.17 0.15 -0.92 0.00 0.00 175.35 173.98 3iab s LYS 108 N -4.50 2.39 -0.01 1.68 1.02 -1.26 -4.35 119.74 114.71 3iab s LYS 108 Ca 0.55 -0.63 -0.02 0.00 0.02 0.00 0.00 55.97 55.89 3iab s LYS 108 Cb -0.10 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 3iab s LYS 108 CO 0.35 -0.01 0.13 0.42 -0.92 0.00 0.00 175.35 175.33 3iab s ILE 109 N 0.83 5.13 -0.04 2.17 -1.09 -1.26 -4.59 121.20 122.35 3iab s ILE 109 Ca -0.09 -0.25 0.05 0.00 -2.23 0.00 0.00 60.65 58.13 3iab s ILE 109 Cb -0.16 -3.36 -0.01 0.00 -1.58 0.00 0.00 42.46 37.36 3iab s ILE 109 CO 0.01 0.36 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.58 3iab s TYR 110 N -1.25 1.72 0.08 3.97 2.02 -0.28 -5.01 117.35 118.61 3iab s TYR 110 Ca 0.25 -0.45 0.04 0.00 -0.37 0.00 0.00 57.07 56.53 3iab s TYR 110 Cb -0.12 -1.14 -0.03 0.00 -0.40 0.00 0.00 41.96 40.26 3iab s TYR 110 CO 0.16 -0.13 -0.10 1.14 -1.57 0.00 0.00 175.55 175.04 3iab s GLN 111 N -0.10 0.79 -0.06 -0.62 -2.07 -1.26 -1.48 119.66 114.86 3iab s GLN 111 Ca -0.01 -1.06 0.01 0.00 -1.82 0.00 0.00 55.36 52.48 3iab s GLN 111 Cb -0.10 -0.55 0.02 0.00 -1.09 0.00 0.00 33.01 31.29 3iab s GLN 111 CO 0.01 0.09 -0.07 -1.58 -1.32 0.00 0.00 175.29 172.43 3iab s TRP 112 N -2.08 1.04 -0.05 9.60 0.51 -1.26 -1.08 118.94 125.62 3iab s TRP 112 Ca 0.02 -0.37 0.05 0.00 -2.12 0.00 0.00 56.10 53.68 3iab s TRP 112 Cb -0.05 -0.87 -0.02 0.00 -0.81 0.00 0.00 33.47 31.72 3iab s TRP 112 CO 0.00 -0.27 -0.18 -0.80 -0.51 0.00 0.00 176.95 175.19 3iab s ASN 113 N 1.03 3.66 -0.04 2.95 0.01 -0.65 -4.15 114.94 117.75 3iab s ASN 113 Ca -0.09 -0.32 0.03 0.00 -0.71 0.00 0.00 52.86 51.78 3iab s ASN 113 Cb -0.14 -0.81 0.00 0.00 0.41 0.00 0.00 41.25 40.71 3iab s ASN 113 CO -0.00 0.31 -0.13 -0.75 -1.51 0.00 0.00 177.10 175.01 3iab s LYS 114 N -0.51 1.44 -0.16 -0.60 2.47 0.38 -0.27 119.74 122.50 3iab s LYS 114 Ca 0.07 -0.45 -0.03 0.00 -1.56 0.00 0.00 55.97 54.00 3iab s LYS 114 Cb -0.11 -1.27 -0.02 0.00 -1.46 0.00 0.00 37.83 34.97 3iab s LYS 114 CO 0.01 0.15 -0.06 -1.17 0.16 0.00 0.00 175.35 174.44 3iab s LEU 115 N 0.22 3.05 0.00 5.43 2.96 -1.26 -1.35 118.68 127.73 3iab s LEU 115 Ca -0.06 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 3iab s LEU 115 Cb -0.11 -1.73 -0.00 0.00 0.50 0.00 0.00 46.19 44.85 3iab s LEU 115 CO 0.02 0.13 0.02 1.07 -1.32 0.00 0.00 176.35 176.28 3iab n THR 116 N 3.76 0.00 -3.67 3.68 5.66 -0.62 -4.98 114.28 118.11 3iab n THR 116 Ca -0.18 -0.16 -0.10 0.00 -3.05 0.00 0.00 64.05 60.56 3iab n THR 116 Cb 0.52 0.08 -0.04 0.00 -1.55 0.00 0.00 70.33 69.35 3iab n THR 116 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3iab s SER 117 N -1.16 -0.27 0.04 1.09 1.04 -1.26 0.84 113.70 114.01 3iab s SER 117 Ca 0.03 -0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.04 3iab s SER 117 Cb 0.00 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 3iab s SER 117 CO 0.02 -0.95 0.26 -0.36 0.98 0.00 0.00 173.24 173.19 3iab s PHE 118 N -3.83 3.55 -0.34 5.02 0.08 0.11 -4.63 117.98 117.93 3iab s PHE 118 Ca 0.06 0.48 -0.05 0.00 0.12 0.00 0.00 56.93 57.54 3iab s PHE 118 Cb 0.00 -1.92 0.05 0.00 -0.57 0.00 0.00 43.02 40.58 3iab s PHE 118 CO -0.08 0.59 0.09 -0.51 -0.10 0.00 0.00 175.22 175.21 3iab s ASP 119 N -2.00 5.20 -0.11 1.36 1.11 0.43 -0.62 116.67 122.05 3iab s ASP 119 Ca 0.31 -1.29 -0.11 0.00 0.18 0.00 0.00 52.55 51.64 3iab s ASP 119 Cb -0.13 -1.83 -0.05 0.00 1.07 0.00 0.00 42.92 41.99 3iab s ASP 119 CO 0.20 -0.34 0.25 -0.51 1.18 0.00 0.00 175.17 175.95 3iab s ILE 120 N 1.33 5.32 0.29 0.77 1.10 -0.81 -0.95 121.20 128.25 3iab s ILE 120 Ca -0.02 0.47 0.04 0.00 -0.51 0.00 0.00 60.65 60.63 3iab s ILE 120 Cb -0.20 -3.56 -0.06 0.00 0.15 0.00 0.00 42.46 38.79 3iab s ILE 120 CO 0.01 0.51 0.03 -0.54 -2.11 0.00 0.00 174.94 172.84 3iab s LYS 121 N -0.38 1.54 0.00 3.50 1.02 -1.13 -2.04 119.74 122.25 3iab s LYS 121 Ca 0.17 -1.82 0.00 0.00 0.02 0.00 0.00 55.97 54.33 3iab s LYS 121 Cb -0.13 -0.78 0.00 0.00 -0.52 0.00 0.00 37.83 36.40 3iab s LYS 121 CO 0.05 -0.15 0.00 0.94 -0.92 0.00 0.00 175.35 175.28 3iab n GLN 129 N -0.58 0.00 -3.22 1.68 7.27 -1.26 -3.40 117.38 117.87 3iab n GLN 129 Ca -0.03 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.64 3iab n GLN 129 Cb 0.65 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 33.23 3iab n GLN 129 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 3iab s GLU 130 N 0.00 4.10 0.40 3.69 2.12 -1.26 -5.07 118.70 122.69 3iab s GLU 130 Ca 0.00 0.37 -0.23 0.00 0.36 0.00 0.00 54.97 55.47 3iab s GLU 130 Cb 0.00 -3.63 -0.10 0.00 0.26 0.00 0.00 34.13 30.66 3iab s GLU 130 CO 0.00 -0.31 1.00 -1.21 -0.54 0.00 0.00 175.26 174.20 3iab s GLU 131 N 2.17 4.22 -0.40 4.30 0.41 -1.26 -5.05 118.70 123.09 3iab s GLU 131 Ca 0.22 1.35 0.04 0.00 -0.41 0.00 0.00 54.97 56.17 3iab s GLU 131 Cb -0.16 -2.44 0.16 0.00 -1.78 0.00 0.00 34.13 29.92 3iab s GLU 131 CO 0.09 -0.06 0.41 0.50 -0.49 0.00 0.00 175.26 175.70 3iab s ARG 132 N -2.68 0.77 -0.07 1.61 3.52 -1.26 -4.41 118.95 116.43 3iab s ARG 132 Ca 0.59 -1.29 -0.11 0.00 -0.13 0.00 0.00 55.73 54.79 3iab s ARG 132 Cb -0.17 -0.87 -0.05 0.00 -1.56 0.00 0.00 34.95 32.31 3iab s ARG 132 CO 0.22 -1.27 0.26 -0.51 -0.81 0.00 0.00 175.30 173.19 3iab s LEU 133 N 0.92 4.42 -0.37 -0.88 1.02 -0.86 -4.94 118.68 117.98 3iab s LEU 133 Ca 0.24 0.68 -0.18 0.00 0.02 0.00 0.00 54.13 54.88 3iab s LEU 133 Cb -0.08 -2.31 0.00 0.00 0.02 0.00 0.00 46.19 43.82 3iab s LEU 133 CO -0.07 0.35 0.53 -0.54 0.02 0.00 0.00 176.35 176.64 3iab s LYS 134 N -0.96 3.51 -0.46 1.70 -0.14 -1.26 -1.93 119.74 120.20 3iab s LYS 134 Ca 0.19 -0.26 -0.15 0.00 -1.36 0.00 0.00 55.97 54.38 3iab s LYS 134 Cb -0.14 -3.85 0.06 0.00 -1.68 0.00 0.00 37.83 32.22 3iab s LYS 134 CO 0.08 -0.72 0.38 0.08 -0.76 0.00 0.00 175.35 174.41 3iab s VAL 135 N 2.43 5.23 0.74 3.17 1.01 0.21 -4.95 120.40 128.25 3iab s VAL 135 Ca 0.19 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 3iab s VAL 135 Cb -0.15 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.18 3iab s VAL 135 CO 0.14 -0.52 1.15 -2.16 0.00 0.00 0.00 175.10 173.71 3iab s PRO 136 N 1.69 2.24 -0.07 2.72 0.04 -1.26 0.06 135.00 140.41 3iab s PRO 136 Ca 0.05 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.59 3iab s PRO 136 Cb -0.23 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.47 3iab s PRO 136 CO 0.08 -1.71 -0.02 0.42 0.04 0.00 0.00 177.00 175.81 3iab s ILE 137 N -2.35 0.47 -0.20 0.56 1.01 0.25 -0.74 121.20 120.20 3iab s ILE 137 Ca 0.69 0.03 -0.04 0.00 0.00 0.00 0.00 60.65 61.32 3iab s ILE 137 Cb -0.23 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 3iab s ILE 137 CO 0.47 0.26 -0.02 -0.22 0.00 0.00 0.00 174.94 175.43 3iab s LEU 138 N 1.68 3.09 -0.19 2.97 2.96 0.07 -1.59 118.68 127.67 3iab s LEU 138 Ca 0.01 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3iab s LEU 138 Cb -0.13 -1.78 0.03 0.00 0.50 0.00 0.00 46.19 44.81 3iab s LEU 138 CO -0.04 0.04 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.16 3iab s VAL 139 N 1.10 2.09 0.00 1.68 1.01 -0.46 -1.46 120.40 124.36 3iab s VAL 139 Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.94 3iab s VAL 139 Cb -0.15 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.30 3iab s VAL 139 CO 0.01 0.44 0.00 0.41 0.00 0.00 0.00 175.10 175.95 3iab n THR 140 N 4.59 0.00 0.00 3.92 -1.04 0.13 -0.47 114.28 121.40 3iab n THR 140 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 3iab n THR 140 Cb 0.49 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 3iab n THR 140 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3iab n VAL 142 N -0.06 0.00 -3.64 12.58 0.24 0.35 -0.17 118.33 127.62 3iab n VAL 142 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 3iab n VAL 142 Cb 0.00 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 3iab n VAL 142 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3iab s SER 143 N 0.00 -0.26 0.00 -1.34 0.15 -0.55 -0.68 113.70 111.02 3iab s SER 143 Ca 0.00 -0.21 0.25 0.00 0.70 0.00 0.00 55.95 56.69 3iab s SER 143 Cb 0.00 0.46 0.47 0.00 -1.71 0.00 0.00 66.02 65.24 3iab s SER 143 CO 0.00 -0.80 1.38 -0.90 1.20 0.00 0.00 173.24 174.12 3iab n ASP 144 N -0.00 1.07 -4.74 5.45 5.75 -1.26 -1.12 116.55 121.70 3iab n ASP 144 Ca -0.17 -0.86 -0.37 0.00 -0.01 0.00 0.00 54.79 53.38 3iab n ASP 144 Cb 0.63 0.31 -0.06 0.00 -1.03 0.00 0.00 41.12 40.96 3iab n ASP 144 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3iab s SER 145 N -2.66 6.60 0.13 -1.12 0.01 -1.26 -4.90 113.70 110.49 3iab s SER 145 Ca 0.19 0.71 -0.12 0.00 1.31 0.00 0.00 55.95 58.04 3iab s SER 145 Cb 0.18 -2.24 -0.08 0.00 0.21 0.00 0.00 66.02 64.10 3iab s SER 145 CO 0.61 0.09 1.42 -0.08 0.41 0.00 0.00 173.24 175.69 3iab h GLU 146 N 6.37 0.88 -4.91 12.44 4.81 -1.95 -3.41 114.58 128.81 3iab h GLU 146 Ca -0.43 -0.52 -0.65 0.00 -0.13 0.00 0.00 59.36 57.63 3iab h GLU 146 Cb 1.18 0.05 -0.22 0.00 0.63 0.00 0.00 28.75 30.39 3iab h GLU 146 CO 0.73 1.16 -0.60 0.42 -0.73 0.00 0.00 179.01 180.00 3iab s ILE 147 N -4.23 4.50 -0.11 2.32 1.01 -1.26 -5.06 121.20 118.37 3iab s ILE 147 Ca -0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 3iab s ILE 147 Cb 0.10 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 3iab s ILE 147 CO 0.88 0.27 0.07 -0.63 0.00 0.00 0.00 174.94 175.54 3iab s ILE 148 N 1.63 4.94 -1.70 2.92 1.01 -1.26 -5.00 121.20 123.73 3iab s ILE 148 Ca 0.06 -0.01 0.26 0.00 0.00 0.00 0.00 60.65 60.97 3iab s ILE 148 Cb -0.16 -3.13 0.60 0.00 0.01 0.00 0.00 42.46 39.78 3iab s ILE 148 CO 0.05 0.59 1.92 0.47 0.00 0.00 0.00 174.94 177.97 3iab n ASP 149 N 2.24 0.00 -4.77 3.58 8.00 -1.26 -4.86 116.55 119.48 3iab n ASP 149 Ca -0.19 -0.45 -0.37 0.00 0.71 0.00 0.00 54.79 54.49 3iab n ASP 149 Cb 0.54 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.47 3iab n ASP 149 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3iab s LEU 150 N -2.30 4.06 -1.31 0.64 1.43 -1.26 -4.81 118.68 115.12 3iab s LEU 150 Ca 0.32 2.24 -0.15 0.00 -1.03 0.00 0.00 54.13 55.50 3iab s LEU 150 Cb 0.18 -4.21 0.09 0.00 0.03 0.00 0.00 46.19 42.28 3iab s LEU 150 CO 0.35 -0.79 1.80 -3.20 0.23 0.00 0.00 176.35 174.74 3iab n ASN 151 N -0.35 4.78 -2.97 2.29 2.85 -1.26 -4.81 115.26 115.80 3iab n ASN 151 Ca 0.06 -2.93 -0.27 0.00 -0.11 0.00 0.00 54.58 51.33 3iab n ASN 151 Cb 0.48 -1.67 -0.04 0.00 1.24 0.00 0.00 39.78 39.80 3iab n ASN 151 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3iab n LEU 152 N 6.87 4.57 0.07 1.20 -0.00 -1.26 -4.50 117.00 123.95 3iab n LEU 152 Ca 0.46 -5.67 -0.06 0.00 -0.00 0.00 0.00 56.01 50.73 3iab n LEU 152 Cb 0.43 -0.58 0.10 0.00 -0.00 0.00 0.00 43.42 43.36 3iab n LEU 152 CO 0.77 2.34 0.46 1.12 -0.00 0.00 0.00 177.39 182.08 3iab h HIS 153 N 3.05 0.40 0.00 1.47 2.07 -1.89 -3.08 115.15 117.16 3iab h HIS 153 Ca 0.14 -0.15 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 3iab h HIS 153 Cb 0.50 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 30.41 3iab h HIS 153 CO 0.85 0.84 0.00 0.43 -3.07 0.00 0.00 177.93 176.98 3iab n SER 154 N -3.88 0.47 -3.93 3.10 7.64 -1.26 -4.84 113.62 110.92 3iab n SER 154 Ca -0.03 0.59 -0.30 0.00 1.01 0.00 0.00 58.87 60.15 3iab n SER 154 Cb 0.63 -0.70 0.21 0.00 -1.01 0.00 0.00 64.21 63.34 3iab n SER 154 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3iab s PHE 155 N -3.17 1.01 -0.16 1.43 2.99 -1.17 -4.90 117.98 114.02 3iab s PHE 155 Ca 0.07 0.35 0.00 0.00 0.00 0.00 0.00 56.93 57.36 3iab s PHE 155 Cb 0.11 -3.88 0.02 0.00 0.00 0.00 0.00 43.02 39.27 3iab s PHE 155 CO 0.41 -3.23 -0.14 0.99 -0.00 0.00 0.00 175.22 173.24 3iab s THR 156 N -3.54 1.63 0.12 0.64 2.01 0.63 -4.89 115.64 112.24 3iab s THR 156 Ca 0.73 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 3iab s THR 156 Cb -0.06 -1.55 -0.07 0.00 0.01 0.00 0.00 72.50 70.84 3iab s THR 156 CO 0.54 0.43 1.16 -0.75 -0.69 0.00 0.00 174.62 175.31 3iab s LYS 157 N 1.45 4.50 0.00 4.92 2.47 -1.26 -1.63 119.74 130.19 3iab s LYS 157 Ca 0.04 1.77 0.00 0.00 -1.56 0.00 0.00 55.97 56.22 3iab s LYS 157 Cb -0.13 -3.31 0.00 0.00 -1.46 0.00 0.00 37.83 32.93 3iab s LYS 157 CO -0.11 -0.11 0.00 0.94 0.16 0.00 0.00 175.35 176.23