#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvj s GLU 3 N 0.00 3.81 -0.14 0.00 2.02 -1.26 -4.91 118.70 118.22 1nvj s GLU 3 Ca 0.00 0.43 0.02 0.00 0.02 0.00 0.00 54.97 55.44 1nvj s GLU 3 Cb 0.00 -2.47 0.01 0.00 0.10 0.00 0.00 34.13 31.77 1nvj s GLU 3 CO 0.00 0.09 -0.21 0.99 0.02 0.00 0.00 175.26 176.15 1nvj s THR 4 N -2.17 1.99 -0.29 3.63 2.01 -1.26 -2.56 115.64 116.98 1nvj s THR 4 Ca 0.50 -0.93 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 1nvj s THR 4 Cb -0.10 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 1nvj s THR 4 CO 0.26 0.54 0.12 -0.75 -0.69 0.00 0.00 174.62 174.10 1nvj s LYS 5 N 0.89 3.42 -0.18 4.92 2.20 -0.36 -5.01 119.74 125.62 1nvj s LYS 5 Ca -0.06 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 1nvj s LYS 5 Cb -0.15 -3.47 0.01 0.00 -1.51 0.00 0.00 37.83 32.71 1nvj s LYS 5 CO -0.03 -0.35 -0.18 0.42 -0.36 0.00 0.00 175.35 174.85 1nvj s ILE 6 N 1.60 2.26 -0.02 5.43 -1.09 -1.26 -0.84 121.20 127.28 1nvj s ILE 6 Ca 0.05 -0.88 0.02 0.00 -2.23 0.00 0.00 60.65 57.61 1nvj s ILE 6 Cb -0.16 -1.96 0.01 0.00 -1.58 0.00 0.00 42.46 38.76 1nvj s ILE 6 CO 0.05 0.52 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.54 1nvj s VAL 7 N 1.25 0.53 -0.05 2.92 1.01 -1.00 -5.02 120.40 120.03 1nvj s VAL 7 Ca 0.03 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1nvj s VAL 7 Cb -0.14 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.77 1nvj s VAL 7 CO -0.10 0.18 -0.09 -0.69 0.00 0.00 0.00 175.10 174.40 1nvj s VAL 8 N 0.23 0.84 0.00 2.92 1.01 -1.26 -1.23 120.40 122.91 1nvj s VAL 8 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1nvj s VAL 8 Cb -0.07 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.52 1nvj s VAL 8 CO -0.00 0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1nvj n GLY 9 N 3.83 0.48 0.18 4.51 0.00 -0.95 -5.00 105.19 108.23 1nvj n GLY 9 Ca -0.23 -0.75 0.06 0.00 0.00 0.00 0.00 46.02 45.10 1nvj n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nvj h PRO 10 N 0.00 0.00 -7.01 1.61 0.13 -1.89 -2.26 132.00 122.58 1nvj h PRO 10 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 1nvj h PRO 10 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 1nvj h PRO 10 CO 0.00 0.35 0.50 -0.65 -0.23 0.00 0.00 178.00 177.97 1nvj s GLN 11 N -3.30 3.68 0.49 0.86 1.11 -1.26 -4.68 119.66 116.57 1nvj s GLN 11 Ca 0.03 1.84 -0.23 0.00 0.01 0.00 0.00 55.36 57.01 1nvj s GLN 11 Cb 0.09 -2.40 -0.06 0.00 -1.01 0.00 0.00 33.01 29.62 1nvj s GLN 11 CO 0.69 -0.63 1.29 -2.14 0.01 0.00 0.00 175.29 174.51 1nvj s PRO 12 N -2.71 3.50 0.40 2.91 0.02 -1.26 -4.90 135.00 132.96 1nvj s PRO 12 Ca 0.64 2.07 0.07 0.00 0.02 0.00 0.00 61.00 63.81 1nvj s PRO 12 Cb -0.30 -2.40 0.01 0.00 0.02 0.00 0.00 34.50 31.82 1nvj s PRO 12 CO 0.37 -0.85 0.56 -0.59 -0.33 0.00 0.00 177.00 176.15 1nvj s PHE 13 N -1.37 2.92 -0.13 6.54 -0.12 -1.26 -5.12 117.98 119.43 1nvj s PHE 13 Ca 0.66 -0.30 -0.00 0.00 -0.05 0.00 0.00 56.93 57.24 1nvj s PHE 13 Cb -0.36 -2.29 0.03 0.00 -0.63 0.00 0.00 43.02 39.77 1nvj s PHE 13 CO 0.44 -0.33 -0.08 0.45 -0.05 0.00 0.00 175.22 175.65 1nvj s SER 14 N -4.30 2.36 0.40 1.98 0.15 -1.26 -5.02 113.70 108.02 1nvj s SER 14 Ca 0.52 -0.39 0.07 0.00 0.70 0.00 0.00 55.95 56.86 1nvj s SER 14 Cb -0.10 -0.91 0.83 0.00 -1.71 0.00 0.00 66.02 64.13 1nvj s SER 14 CO 0.33 -0.12 2.03 0.58 1.20 0.00 0.00 173.24 177.26 1nvj h VAL 15 N 6.18 1.12 0.00 4.45 2.07 -2.00 -1.87 116.25 126.21 1nvj h VAL 15 Ca -0.31 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1nvj h VAL 15 Cb 1.13 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1nvj h VAL 15 CO 0.43 0.13 -0.18 1.23 0.02 0.00 0.00 177.57 179.20 1nvj h GLY 16 N 0.58 0.00 1.74 2.17 0.00 -2.00 0.20 103.07 105.76 1nvj h GLY 16 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.30 1nvj h GLY 16 CO -0.02 0.00 -0.89 0.83 0.00 0.00 0.00 176.54 176.45 1nvj h GLU 17 N 0.00 0.00 0.01 4.80 5.08 -1.78 -3.37 114.58 119.32 1nvj h GLU 17 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1nvj h GLU 17 Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1nvj h GLU 17 CO 0.02 0.60 -1.47 0.93 -1.00 0.00 0.00 179.01 178.09 1nvj h GLU 18 N 0.00 0.02 -0.26 2.33 4.39 -1.01 -3.41 114.58 116.64 1nvj h GLU 18 Ca -0.06 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1nvj h GLU 18 Cb 1.57 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.22 1nvj h GLU 18 CO 0.08 0.70 0.04 -0.92 -1.16 0.00 0.00 179.01 177.75 1nvj h TYR 19 N 0.00 0.46 -0.73 4.33 3.20 -1.13 -2.53 116.97 120.58 1nvj h TYR 19 Ca -0.19 -0.07 0.10 0.00 3.14 0.00 0.00 58.73 61.71 1nvj h TYR 19 Cb 1.93 -0.13 -0.08 0.00 1.54 0.00 0.00 36.73 40.00 1nvj h TYR 19 CO 0.00 0.55 0.36 -1.35 -1.64 0.00 0.00 178.16 176.08 1nvj h PRO 20 N 0.24 0.57 -0.20 1.82 0.11 -1.79 -0.20 132.00 132.56 1nvj h PRO 20 Ca 0.08 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 1nvj h PRO 20 Cb 0.34 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1nvj h PRO 20 CO 0.01 0.38 -0.01 2.35 -0.21 0.00 0.00 178.00 180.51 1nvj h TRP 21 N 0.59 0.39 -0.92 0.65 7.01 -1.80 -2.66 115.95 119.21 1nvj h TRP 21 Ca 0.37 -0.07 0.12 0.00 2.11 0.00 0.00 58.89 61.41 1nvj h TRP 21 Cb 0.42 -0.10 -0.07 0.00 -2.10 0.00 0.00 29.16 27.31 1nvj h TRP 21 CO -0.11 0.56 0.59 1.25 -2.79 0.00 0.00 178.44 177.94 1nvj h LEU 22 N 0.10 0.79 -3.45 0.65 5.85 -0.89 -2.65 115.31 115.71 1nvj h LEU 22 Ca 0.05 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1nvj h LEU 22 Cb 0.42 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1nvj h LEU 22 CO 0.01 0.43 0.05 0.00 -0.34 0.00 0.00 178.44 178.60 1nvj n ALA 23 N -2.40 3.68 -0.04 1.25 0.00 -0.17 -4.70 120.51 118.14 1nvj n ALA 23 Ca 0.17 -2.33 -0.17 0.00 0.00 0.00 0.00 53.44 51.11 1nvj n ALA 23 Cb 0.37 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 1nvj n ALA 23 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1nvj h GLU 24 N 2.38 0.82 -6.52 0.00 4.81 -1.11 -3.45 114.58 111.50 1nvj h GLU 24 Ca 0.08 -0.63 -0.52 0.00 -0.13 0.00 0.00 59.36 58.16 1nvj h GLU 24 Cb 1.79 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 31.27 1nvj h GLU 24 CO 0.42 1.24 0.38 1.03 -0.73 0.00 0.00 179.01 181.35 1nvj s ARG 25 N -3.85 4.63 0.41 1.92 0.52 -1.26 -4.94 118.95 116.38 1nvj s ARG 25 Ca -0.10 1.48 0.08 0.00 -0.52 0.00 0.00 55.73 56.67 1nvj s ARG 25 Cb 0.09 -3.39 0.85 0.00 0.52 0.00 0.00 34.95 33.02 1nvj s ARG 25 CO 0.90 0.09 2.02 -0.44 0.02 0.00 0.00 175.30 177.90 1nvj h ASP 26 N 5.98 0.40 0.84 0.23 3.32 -2.02 -1.28 116.42 123.89 1nvj h ASP 26 Ca -0.42 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1nvj h ASP 26 Cb 1.21 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1nvj h ASP 26 CO 0.73 0.35 0.00 -1.84 -1.72 0.00 0.00 179.24 176.76 1nvj n GLU 27 N -4.43 0.06 -2.66 3.56 0.00 -1.26 -4.07 120.64 111.84 1nvj n GLU 27 Ca 0.02 0.17 -0.43 0.00 0.00 0.00 0.00 57.16 56.92 1nvj n GLU 27 Cb 0.12 -1.59 0.00 0.00 0.00 0.00 0.00 31.44 29.97 1nvj n GLU 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1nvj n ASP 28 N -1.69 5.23 -0.11 -1.84 8.00 -0.48 -4.13 116.55 121.53 1nvj n ASP 28 Ca 0.05 -3.07 0.13 0.00 0.71 0.00 0.00 54.79 52.61 1nvj n ASP 28 Cb 0.27 -1.50 0.46 0.00 -0.02 0.00 0.00 41.12 40.33 1nvj n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nvj n GLY 29 N 3.26 -0.98 2.98 0.44 0.00 -1.02 -4.64 105.19 105.24 1nvj n GLY 29 Ca 0.37 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1nvj n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvj s ALA 30 N -2.66 1.95 -0.25 4.61 0.00 0.70 -4.98 121.76 121.14 1nvj s ALA 30 Ca 0.22 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1nvj s ALA 30 Cb 0.19 -1.27 0.04 0.00 0.00 0.00 0.00 23.12 22.09 1nvj s ALA 30 CO 0.55 -0.82 -0.10 0.08 0.00 0.00 0.00 175.76 175.46 1nvj s VAL 31 N 1.42 2.41 -0.16 0.00 1.01 -1.26 -1.57 120.40 122.25 1nvj s VAL 31 Ca -0.01 -1.33 -0.04 0.00 0.00 0.00 0.00 61.98 60.60 1nvj s VAL 31 Cb -0.16 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1nvj s VAL 31 CO -0.08 0.12 -0.04 -0.69 0.00 0.00 0.00 175.10 174.42 1nvj s VAL 32 N 1.21 3.85 0.16 2.92 1.01 -0.30 -5.00 120.40 124.25 1nvj s VAL 32 Ca -0.04 -0.37 0.10 0.00 0.00 0.00 0.00 61.98 61.68 1nvj s VAL 32 Cb -0.18 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1nvj s VAL 32 CO -0.06 0.49 -0.24 0.42 0.00 0.00 0.00 175.10 175.71 1nvj s THR 33 N 0.42 2.17 -0.05 3.92 -4.23 -1.26 -1.22 115.64 115.40 1nvj s THR 33 Ca -0.04 -1.88 0.03 0.00 -1.18 0.00 0.00 61.69 58.63 1nvj s THR 33 Cb -0.14 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.72 1nvj s THR 33 CO 0.03 -0.08 -0.14 0.12 -0.54 0.00 0.00 174.62 174.01 1nvj s PHE 34 N -1.48 1.48 -0.10 3.99 5.36 0.07 -5.00 117.98 122.30 1nvj s PHE 34 Ca 0.16 -0.47 0.03 0.00 -0.96 0.00 0.00 56.93 55.69 1nvj s PHE 34 Cb -0.08 -1.04 0.01 0.00 -0.34 0.00 0.00 43.02 41.56 1nvj s PHE 34 CO 0.08 -0.20 -0.18 0.99 -1.46 0.00 0.00 175.22 174.45 1nvj s THR 35 N 0.30 1.62 -0.08 0.12 2.01 -1.26 -1.52 115.64 116.84 1nvj s THR 35 Ca -0.08 -0.74 -0.00 0.00 0.31 0.00 0.00 61.69 61.17 1nvj s THR 35 Cb -0.13 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1nvj s THR 35 CO 0.03 0.46 -0.05 -0.83 -0.69 0.00 0.00 174.62 173.54 1nvj s GLY 36 N 0.70 1.73 0.19 4.40 0.00 -0.25 -4.99 107.32 109.10 1nvj s GLY 36 Ca -0.12 -0.86 0.09 0.00 0.00 0.00 0.00 44.72 43.82 1nvj s GLY 36 CO 0.03 -0.58 -0.17 0.54 0.00 0.00 0.00 173.10 172.92 1nvj s LYS 37 N -0.69 1.35 0.07 2.90 1.02 -1.26 -0.83 119.74 122.29 1nvj s LYS 37 Ca 0.11 -1.51 -0.31 0.00 0.02 0.00 0.00 55.97 54.28 1nvj s LYS 37 Cb -0.11 -1.33 -0.08 0.00 -0.52 0.00 0.00 37.83 35.78 1nvj s LYS 37 CO 0.02 0.25 1.64 0.08 -0.92 0.00 0.00 175.35 176.42 1nvj s VAL 38 N -2.38 3.03 0.69 3.17 1.01 -0.22 -4.90 120.40 120.79 1nvj s VAL 38 Ca 0.20 0.50 -0.11 0.00 0.00 0.00 0.00 61.98 62.57 1nvj s VAL 38 Cb -0.04 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 33.02 1nvj s VAL 38 CO 0.08 0.00 1.06 -0.13 0.00 0.00 0.00 175.10 176.11 1nvj s ARG 39 N 2.54 2.96 0.37 2.72 1.81 -1.26 -1.68 118.95 126.41 1nvj s ARG 39 Ca 0.73 0.83 0.11 0.00 -1.72 0.00 0.00 55.73 55.68 1nvj s ARG 39 Cb -0.40 -2.00 0.87 0.00 -0.45 0.00 0.00 34.95 32.97 1nvj s ARG 39 CO 0.32 -1.05 1.86 -0.91 -0.68 0.00 0.00 175.30 174.85 1nvj h ASN 40 N -0.67 0.61 -1.98 0.23 2.35 -1.96 -3.42 115.58 110.74 1nvj h ASN 40 Ca -0.44 0.04 0.29 0.00 -0.55 0.00 0.00 56.30 55.64 1nvj h ASN 40 Cb 1.22 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 39.46 1nvj h ASN 40 CO 0.59 0.29 0.78 0.00 -1.65 0.00 0.00 177.43 177.44 1nvj n HIS 41 N -4.56 -0.46 -0.25 1.19 1.44 -1.26 -4.83 115.22 106.50 1nvj n HIS 41 Ca 0.18 -0.69 0.00 0.00 -2.01 0.00 0.00 57.72 55.20 1nvj n HIS 41 Cb 0.52 0.32 0.00 0.00 0.12 0.00 0.00 29.99 30.95 1nvj n HIS 41 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1nvj n ASN 42 N -1.01 0.00 -4.68 4.39 2.85 -1.26 -5.18 115.26 110.37 1nvj n ASN 42 Ca 0.03 -0.12 -0.35 0.00 -0.11 0.00 0.00 54.58 54.03 1nvj n ASN 42 Cb 0.52 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.45 1nvj n ASN 42 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1nvj s VAL 47 N 0.00 5.20 0.09 3.44 1.01 -1.26 -5.25 120.40 123.63 1nvj s VAL 47 Ca 0.00 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.16 1nvj s VAL 47 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1nvj s VAL 47 CO 0.00 0.42 -0.10 0.20 0.00 0.00 0.00 175.10 175.62 1nvj s ASN 48 N 0.57 4.40 0.08 3.32 0.01 -1.26 -5.12 114.94 116.94 1nvj s ASN 48 Ca 0.07 -0.36 -0.23 0.00 -0.71 0.00 0.00 52.86 51.62 1nvj s ASN 48 Cb -0.12 -0.86 -0.06 0.00 0.41 0.00 0.00 41.25 40.62 1nvj s ASN 48 CO 0.00 0.19 0.71 0.00 -1.51 0.00 0.00 177.10 176.49 1nvj s ALA 49 N -1.18 3.45 0.01 0.60 0.00 -1.26 -4.79 121.76 118.59 1nvj s ALA 49 Ca 0.21 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 1nvj s ALA 49 Cb -0.11 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1nvj s ALA 49 CO 0.13 0.21 1.09 -1.17 0.00 0.00 0.00 175.76 176.02 1nvj s LEU 50 N -0.61 4.35 -0.27 0.00 2.96 -0.37 -4.88 118.68 119.86 1nvj s LEU 50 Ca 0.35 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 56.07 1nvj s LEU 50 Cb -0.21 -3.57 0.05 0.00 0.50 0.00 0.00 46.19 42.96 1nvj s LEU 50 CO 0.22 -0.39 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.91 1nvj s THR 51 N 1.21 2.58 -0.09 3.68 2.01 -1.26 0.63 115.64 124.41 1nvj s THR 51 Ca 0.55 -1.43 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 1nvj s THR 51 Cb -0.25 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1nvj s THR 51 CO 0.27 -0.01 0.16 -0.76 -0.69 0.00 0.00 174.62 173.59 1nvj s LEU 52 N 1.20 4.39 0.18 4.42 1.43 -0.35 -0.80 118.68 129.13 1nvj s LEU 52 Ca -0.06 0.45 0.08 0.00 -1.03 0.00 0.00 54.13 53.57 1nvj s LEU 52 Cb -0.19 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1nvj s LEU 52 CO -0.04 0.37 -0.16 -1.61 0.23 0.00 0.00 176.35 175.15 1nvj s GLU 53 N -1.27 1.27 0.38 1.70 0.41 0.37 -0.74 118.70 120.82 1nvj s GLU 53 Ca 0.18 -1.48 0.05 0.00 -0.41 0.00 0.00 54.97 53.32 1nvj s GLU 53 Cb -0.12 -1.17 -0.03 0.00 -1.78 0.00 0.00 34.13 31.03 1nvj s GLU 53 CO 0.08 0.21 0.19 -3.38 -0.49 0.00 0.00 175.26 171.87 1nvj s HIS 54 N -2.53 1.76 -0.46 1.61 -3.43 -1.26 -0.99 115.29 109.98 1nvj s HIS 54 Ca 0.18 -1.44 -0.14 0.00 -0.80 0.00 0.00 55.06 52.86 1nvj s HIS 54 Cb -0.03 -0.97 0.08 0.00 -1.43 0.00 0.00 32.58 30.23 1nvj s HIS 54 CO 0.06 -0.54 0.37 0.71 -2.00 0.00 0.00 174.74 173.35 1nvj s TYR 55 N -3.32 3.27 0.20 0.38 1.51 -1.26 -5.01 117.35 113.12 1nvj s TYR 55 Ca 0.30 -1.10 -0.32 0.00 -1.01 0.00 0.00 57.07 54.94 1nvj s TYR 55 Cb 0.02 -3.16 -0.13 0.00 -0.11 0.00 0.00 41.96 38.58 1nvj s TYR 55 CO 0.19 -0.82 1.59 -2.30 -1.11 0.00 0.00 175.55 173.10 1nvj n PRO 56 N 5.14 2.37 0.00 -1.71 -0.02 -1.26 -2.06 135.00 137.45 1nvj n PRO 56 Ca -0.12 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1nvj n PRO 56 Cb 0.43 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1nvj n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nvj n GLY 57 N 3.18 2.10 0.30 -1.23 0.00 -1.26 -4.73 105.19 103.55 1nvj n GLY 57 Ca 0.15 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1nvj n GLY 57 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1nvj h MET 58 N 0.00 0.53 0.22 1.61 2.86 -1.85 0.17 114.93 118.47 1nvj h MET 58 Ca 0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1nvj h MET 58 Cb 0.00 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.54 1nvj h MET 58 CO 0.00 0.35 -0.11 1.15 1.06 0.00 0.00 176.91 179.36 1nvj h THR 59 N 0.55 0.85 -0.32 2.22 2.02 -1.77 -0.86 112.91 115.59 1nvj h THR 59 Ca 0.46 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1nvj h THR 59 Cb 0.68 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1nvj h THR 59 CO -0.39 0.10 0.17 -0.33 0.37 0.00 0.00 175.52 175.44 1nvj h GLU 60 N -0.52 0.44 -0.15 6.66 3.07 -1.78 -1.35 114.58 120.95 1nvj h GLU 60 Ca -0.03 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.77 1nvj h GLU 60 Cb 0.39 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1nvj h GLU 60 CO 0.05 0.33 0.00 -0.22 -1.40 0.00 0.00 179.01 177.78 1nvj h LYS 61 N 0.44 0.26 -0.65 2.33 3.64 -0.71 -1.26 116.57 120.62 1nvj h LYS 61 Ca 0.12 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1nvj h LYS 61 Cb 0.03 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1nvj h LYS 61 CO -0.02 0.48 0.18 0.00 -2.27 0.00 0.00 179.45 177.82 1nvj h ALA 62 N 0.77 1.09 -0.68 5.00 0.00 -0.51 -1.75 119.26 123.18 1nvj h ALA 62 Ca 0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1nvj h ALA 62 Cb 0.36 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1nvj h ALA 62 CO 0.01 0.61 0.20 -0.07 0.00 0.00 0.00 179.25 180.00 1nvj h LEU 63 N 0.97 0.98 -1.24 0.00 3.38 -1.22 -1.61 115.31 116.56 1nvj h LEU 63 Ca 0.21 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1nvj h LEU 63 Cb 0.31 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1nvj h LEU 63 CO -0.00 0.92 -0.05 0.00 0.09 0.00 0.00 178.44 179.39 1nvj h ALA 64 N 1.21 1.38 0.03 1.53 0.00 -0.70 -2.34 119.26 120.37 1nvj h ALA 64 Ca 0.22 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 1nvj h ALA 64 Cb 0.30 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1nvj h ALA 64 CO -0.01 0.43 -1.01 0.93 0.00 0.00 0.00 179.25 179.60 1nvj h GLU 65 N 0.43 0.32 -0.53 0.00 5.08 -0.98 -2.29 114.58 116.61 1nvj h GLU 65 Ca 0.09 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 1nvj h GLU 65 Cb 0.37 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1nvj h GLU 65 CO 0.02 1.10 0.07 0.82 -1.00 0.00 0.00 179.01 180.02 1nvj h ILE 66 N 0.16 1.25 -0.68 3.13 2.04 -1.08 -1.56 117.51 120.77 1nvj h ILE 66 Ca -0.08 -0.97 -0.08 0.00 1.00 0.00 0.00 64.86 64.73 1nvj h ILE 66 Cb 1.67 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 1nvj h ILE 66 CO 0.17 0.35 0.12 0.58 0.00 0.00 0.00 178.15 179.36 1nvj h VAL 67 N 0.76 1.26 -0.59 1.67 2.07 -1.45 -0.83 116.25 119.16 1nvj h VAL 67 Ca 0.16 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 1nvj h VAL 67 Cb 0.42 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1nvj h VAL 67 CO 0.01 0.39 0.23 0.44 0.02 0.00 0.00 177.57 178.66 1nvj h ASP 68 N 1.04 0.81 -0.47 0.57 3.32 -1.25 -0.25 116.42 120.19 1nvj h ASP 68 Ca 0.21 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1nvj h ASP 68 Cb 0.43 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1nvj h ASP 68 CO 0.01 0.77 0.12 -0.08 -1.72 0.00 0.00 179.24 178.34 1nvj h GLU 69 N 0.81 0.82 -0.76 3.56 4.57 -1.10 -2.09 114.58 120.40 1nvj h GLU 69 Ca 0.19 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1nvj h GLU 69 Cb 0.21 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1nvj h GLU 69 CO -0.01 0.74 0.31 0.00 -1.18 0.00 0.00 179.01 178.86 1nvj h ALA 70 N 1.35 1.11 0.00 2.92 0.00 -0.48 -2.43 119.26 121.73 1nvj h ALA 70 Ca 0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1nvj h ALA 70 Cb 0.30 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nvj h ALA 70 CO -0.00 0.64 -0.20 0.00 0.00 0.00 0.00 179.25 179.69 1nvj h ARG 71 N 1.09 0.00 0.00 0.00 3.08 -0.54 -0.86 114.38 117.16 1nvj h ARG 71 Ca 0.25 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.25 1nvj h ARG 71 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1nvj h ARG 71 CO -0.02 0.20 -0.26 -0.91 -1.07 0.00 0.00 179.97 177.90 1nvj h ASN 72 N 0.00 0.00 0.12 7.04 -0.26 -0.92 -3.36 115.58 118.20 1nvj h ASN 72 Ca -0.00 0.00 -0.35 0.00 -0.56 0.00 0.00 56.30 55.39 1nvj h ASN 72 Cb 0.60 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.79 1nvj h ASN 72 CO 0.03 0.26 -2.22 0.54 -1.06 0.00 0.00 177.43 174.98 1nvj n ARG 73 N -3.24 0.68 -4.14 0.81 1.74 -0.86 -5.02 116.66 106.62 1nvj n ARG 73 Ca 0.02 0.07 -0.15 0.00 -0.77 0.00 0.00 57.85 57.01 1nvj n ARG 73 Cb 0.56 -1.59 -0.12 0.00 -1.02 0.00 0.00 32.46 30.29 1nvj n ARG 73 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1nvj s TRP 74 N -2.52 0.82 -0.85 -1.55 0.51 -0.38 -5.10 118.94 109.87 1nvj s TRP 74 Ca -0.09 -0.41 -0.25 0.00 -2.12 0.00 0.00 56.10 53.24 1nvj s TRP 74 Cb 0.07 -0.49 0.04 0.00 -0.81 0.00 0.00 33.47 32.28 1nvj s TRP 74 CO 0.83 -0.03 1.32 -1.25 -0.51 0.00 0.00 176.95 177.31 1nvj s PRO 75 N -1.32 3.36 0.08 4.98 0.04 -1.26 -4.41 135.00 136.46 1nvj s PRO 75 Ca -0.05 -0.67 0.05 0.00 0.04 0.00 0.00 61.00 60.37 1nvj s PRO 75 Cb -0.08 -4.67 -0.04 0.00 0.04 0.00 0.00 34.50 29.75 1nvj s PRO 75 CO 0.01 -2.14 -0.04 -0.51 0.04 0.00 0.00 177.00 174.35 1nvj s LEU 76 N 5.24 3.28 0.00 -3.56 1.43 -1.26 -4.37 118.68 119.44 1nvj s LEU 76 Ca 0.38 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1nvj s LEU 76 Cb -0.05 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1nvj s LEU 76 CO 0.04 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.43 1nvj n GLY 77 N 0.79 0.58 3.76 -3.19 0.00 -0.26 -4.85 105.19 102.03 1nvj n GLY 77 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1nvj n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nvj s ARG 78 N 2.85 4.44 -0.02 1.61 0.52 -1.26 -4.61 118.95 122.47 1nvj s ARG 78 Ca 0.00 2.09 0.04 0.00 -0.52 0.00 0.00 55.73 57.34 1nvj s ARG 78 Cb 0.00 -3.12 -0.01 0.00 0.52 0.00 0.00 34.95 32.35 1nvj s ARG 78 CO 0.00 -0.08 -0.14 0.08 0.02 0.00 0.00 175.30 175.18 1nvj s VAL 79 N -1.02 1.13 -0.07 3.52 1.01 -1.06 -1.84 120.40 122.06 1nvj s VAL 79 Ca 0.48 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1nvj s VAL 79 Cb -0.37 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 1nvj s VAL 79 CO 0.48 0.33 -0.22 -0.89 0.00 0.00 0.00 175.10 174.80 1nvj s THR 80 N -0.16 1.86 -0.18 3.92 2.01 0.18 -1.22 115.64 122.06 1nvj s THR 80 Ca 0.02 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.09 1nvj s THR 80 Cb -0.07 -1.60 0.04 0.00 0.01 0.00 0.00 72.50 70.88 1nvj s THR 80 CO 0.00 0.52 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.70 1nvj s VAL 81 N 0.14 1.20 -0.08 3.82 1.01 -0.02 0.17 120.40 126.64 1nvj s VAL 81 Ca -0.10 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1nvj s VAL 81 Cb -0.15 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 1nvj s VAL 81 CO 0.05 0.10 -0.18 -0.63 0.00 0.00 0.00 175.10 174.44 1nvj s ILE 82 N 1.59 2.67 -0.06 2.22 1.01 0.73 -2.37 121.20 126.98 1nvj s ILE 82 Ca -0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 1nvj s ILE 82 Cb -0.16 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.29 1nvj s ILE 82 CO -0.08 0.56 -0.03 -2.28 0.00 0.00 0.00 174.94 173.12 1nvj s HIS 83 N -0.19 0.80 0.53 3.97 2.46 -0.36 -1.14 115.29 121.35 1nvj s HIS 83 Ca -0.01 -0.25 -0.16 0.00 0.47 0.00 0.00 55.06 55.11 1nvj s HIS 83 Cb -0.13 -0.79 -0.07 0.00 -0.13 0.00 0.00 32.58 31.45 1nvj s HIS 83 CO 0.03 -0.29 0.99 1.03 -2.47 0.00 0.00 174.74 174.03 1nvj s ARG 84 N 1.50 3.89 0.08 2.88 0.52 0.11 -2.23 118.95 125.70 1nvj s ARG 84 Ca -0.02 0.92 0.01 0.00 -0.52 0.00 0.00 55.73 56.12 1nvj s ARG 84 Cb -0.13 -2.13 -0.00 0.00 0.52 0.00 0.00 34.95 33.20 1nvj s ARG 84 CO -0.03 -0.32 0.05 0.44 0.02 0.00 0.00 175.30 175.46 1nvj n ILE 85 N -1.76 0.00 -3.79 1.52 -5.35 -0.85 -4.84 119.36 104.29 1nvj n ILE 85 Ca 0.06 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 1nvj n ILE 85 Cb 0.54 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.66 1nvj n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nvj n GLY 86 N 0.64 -1.34 3.67 3.28 0.00 0.09 -4.28 105.19 107.24 1nvj n GLY 86 Ca 0.00 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 1nvj n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nvj s GLU 87 N 0.00 4.31 -0.01 1.61 2.12 -1.26 -1.22 118.70 124.25 1nvj s GLU 87 Ca 0.00 1.19 0.02 0.00 0.36 0.00 0.00 54.97 56.54 1nvj s GLU 87 Cb 0.00 -3.59 -0.00 0.00 0.26 0.00 0.00 34.13 30.80 1nvj s GLU 87 CO 0.00 -0.42 -0.07 -0.51 -0.54 0.00 0.00 175.26 173.72 1nvj s LEU 88 N 2.43 1.89 0.22 2.70 1.43 0.21 -4.99 118.68 122.57 1nvj s LEU 88 Ca 0.42 -0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.46 1nvj s LEU 88 Cb -0.16 -0.41 -0.04 0.00 0.03 0.00 0.00 46.19 45.60 1nvj s LEU 88 CO 0.12 0.07 0.05 0.26 0.23 0.00 0.00 176.35 177.08 1nvj s TRP 89 N 0.02 2.88 0.15 0.29 0.52 -1.26 -1.24 118.94 120.30 1nvj s TRP 89 Ca 0.00 -0.15 -0.34 0.00 0.02 0.00 0.00 56.10 55.64 1nvj s TRP 89 Cb -0.05 -1.34 -0.16 0.00 -1.15 0.00 0.00 33.47 30.77 1nvj s TRP 89 CO -0.00 0.55 1.11 -2.30 0.02 0.00 0.00 176.95 176.33 1nvj n PRO 90 N -0.61 0.92 0.00 4.98 -0.02 -1.26 -0.84 135.00 138.17 1nvj n PRO 90 Ca -0.08 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1nvj n PRO 90 Cb 0.57 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1nvj n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nvj n GLY 91 N 1.99 3.23 3.76 -1.23 0.00 -0.67 -4.96 105.19 107.30 1nvj n GLY 91 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1nvj n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nvj s ASP 92 N -0.71 6.77 -0.23 1.61 1.01 -0.02 -4.73 116.67 120.38 1nvj s ASP 92 Ca 0.00 2.66 -0.26 0.00 0.71 0.00 0.00 52.55 55.66 1nvj s ASP 92 Cb 0.00 -2.64 -0.00 0.00 1.01 0.00 0.00 42.92 41.28 1nvj s ASP 92 CO 0.00 -0.55 0.88 -1.61 0.21 0.00 0.00 175.17 174.10 1nvj s GLU 93 N -1.47 4.22 -0.01 8.23 2.02 -1.26 -1.06 118.70 129.37 1nvj s GLU 93 Ca 0.51 1.05 0.09 0.00 0.02 0.00 0.00 54.97 56.64 1nvj s GLU 93 Cb -0.40 -3.63 -0.14 0.00 0.10 0.00 0.00 34.13 30.06 1nvj s GLU 93 CO 0.50 -0.51 0.20 0.44 0.02 0.00 0.00 175.26 175.92 1nvj n ILE 94 N 5.18 0.00 -3.77 -1.63 -5.35 -0.01 -4.77 119.36 109.01 1nvj n ILE 94 Ca 0.07 -0.21 -0.13 0.00 -0.27 0.00 0.00 62.75 62.20 1nvj n ILE 94 Cb 0.47 0.28 -0.14 0.00 -1.74 0.00 0.00 39.64 38.52 1nvj n ILE 94 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1nvj s VAL 95 N -2.64 -0.03 -0.11 7.28 0.11 -1.12 -0.71 120.40 123.17 1nvj s VAL 95 Ca -0.03 0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.14 1nvj s VAL 95 Cb 0.06 -0.26 0.02 0.00 -1.53 0.00 0.00 36.38 34.67 1nvj s VAL 95 CO 0.39 0.05 -0.11 0.12 -3.33 0.00 0.00 175.10 172.22 1nvj s PHE 96 N 0.85 1.66 -0.13 1.54 5.36 -0.29 -1.09 117.98 125.87 1nvj s PHE 96 Ca -0.06 -0.79 0.03 0.00 -0.96 0.00 0.00 56.93 55.14 1nvj s PHE 96 Cb -0.08 -1.28 0.01 0.00 -0.34 0.00 0.00 43.02 41.33 1nvj s PHE 96 CO -0.04 -0.47 -0.22 0.08 -1.46 0.00 0.00 175.22 173.10 1nvj s VAL 97 N 1.30 2.04 -0.09 3.12 1.01 -0.57 -0.19 120.40 127.02 1nvj s VAL 97 Ca -0.02 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1nvj s VAL 97 Cb -0.14 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1nvj s VAL 97 CO -0.05 0.55 -0.16 -0.83 0.00 0.00 0.00 175.10 174.61 1nvj s GLY 98 N 0.77 1.00 -0.01 4.51 0.00 0.13 -0.75 107.32 112.96 1nvj s GLY 98 Ca -0.08 -0.65 0.02 0.00 0.00 0.00 0.00 44.72 44.01 1nvj s GLY 98 CO -0.01 0.09 -0.07 0.14 0.00 0.00 0.00 173.10 173.25 1nvj s VAL 99 N 0.74 0.55 0.17 1.40 1.01 -0.36 -0.65 120.40 123.27 1nvj s VAL 99 Ca -0.12 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.67 1nvj s VAL 99 Cb -0.16 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1nvj s VAL 99 CO 0.02 0.16 -0.19 0.42 0.00 0.00 0.00 175.10 175.52 1nvj s THR 100 N -0.02 1.87 0.31 3.92 -4.23 -0.77 -1.15 115.64 115.57 1nvj s THR 100 Ca 0.01 -1.92 -0.18 0.00 -1.18 0.00 0.00 61.69 58.42 1nvj s THR 100 Cb -0.04 -1.87 0.03 0.00 1.34 0.00 0.00 72.50 71.96 1nvj s THR 100 CO -0.00 -0.29 0.70 -0.55 -0.54 0.00 0.00 174.62 173.93 1nvj s SER 101 N -2.66 -0.11 0.19 3.99 0.15 -0.61 -1.10 113.70 113.55 1nvj s SER 101 Ca 0.16 -0.84 0.26 0.00 0.70 0.00 0.00 55.95 56.23 1nvj s SER 101 Cb -0.06 0.74 0.89 0.00 -1.71 0.00 0.00 66.02 65.88 1nvj s SER 101 CO 0.07 -1.42 1.77 0.00 1.20 0.00 0.00 173.24 174.87 1nvj n ALA 102 N -0.47 2.16 -3.54 5.45 0.00 -1.26 -0.22 120.51 122.63 1nvj n ALA 102 Ca -0.05 -0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 1nvj n ALA 102 Cb 0.60 -1.45 -0.17 0.00 0.00 0.00 0.00 19.45 18.43 1nvj n ALA 102 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1nvj s HIS 103 N -3.13 2.01 0.17 0.00 3.76 -1.26 -4.51 115.29 112.34 1nvj s HIS 103 Ca 0.10 -0.89 -0.17 0.00 -0.15 0.00 0.00 55.06 53.95 1nvj s HIS 103 Cb 0.12 -1.42 0.11 0.00 1.11 0.00 0.00 32.58 32.50 1nvj s HIS 103 CO 0.54 -0.43 1.66 -0.09 -0.85 0.00 0.00 174.74 175.57 1nvj h ARG 104 N 7.19 -0.01 -0.47 1.40 2.43 -1.92 -2.27 114.38 120.73 1nvj h ARG 104 Ca -0.29 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.80 1nvj h ARG 104 Cb 1.19 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1nvj h ARG 104 CO 0.49 -0.01 -0.05 1.03 -1.51 0.00 0.00 179.97 179.92 1nvj h SER 105 N -0.01 0.79 -0.77 -3.80 0.87 -1.99 -1.41 113.55 107.23 1nvj h SER 105 Ca 0.20 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1nvj h SER 105 Cb 0.32 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 1nvj h SER 105 CO -0.44 0.89 0.36 0.28 -0.53 0.00 0.00 176.83 177.39 1nvj h SER 106 N 0.75 1.02 -0.08 6.23 0.02 -1.86 -1.40 113.55 118.24 1nvj h SER 106 Ca 0.14 -0.14 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1nvj h SER 106 Cb 0.52 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.80 1nvj h SER 106 CO 0.03 0.88 -0.53 0.00 -1.14 0.00 0.00 176.83 176.07 1nvj h ALA 107 N 1.19 0.18 -0.41 3.77 0.00 -1.11 -2.53 119.26 120.34 1nvj h ALA 107 Ca 0.26 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1nvj h ALA 107 Cb 0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1nvj h ALA 107 CO -0.03 0.38 0.20 0.74 0.00 0.00 0.00 179.25 180.54 1nvj h PHE 108 N 0.09 0.60 -0.72 0.00 -1.00 -1.26 -0.98 116.94 113.67 1nvj h PHE 108 Ca -0.04 -0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.66 1nvj h PHE 108 Cb 1.18 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 40.52 1nvj h PHE 108 CO 0.12 0.50 0.27 0.93 -1.61 0.00 0.00 178.31 178.51 1nvj h GLU 109 N 0.53 1.09 -0.24 1.51 4.39 -1.31 -1.22 114.58 119.32 1nvj h GLU 109 Ca 0.14 -0.20 -0.14 0.00 0.34 0.00 0.00 59.36 59.50 1nvj h GLU 109 Cb 0.13 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1nvj h GLU 109 CO -0.02 0.90 -0.39 0.00 -1.16 0.00 0.00 179.01 178.34 1nvj h ALA 110 N 1.23 0.38 -0.15 3.43 0.00 -1.32 -0.67 119.26 122.16 1nvj h ALA 110 Ca 0.24 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1nvj h ALA 110 Cb 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1nvj h ALA 110 CO -0.02 0.47 0.07 0.78 0.00 0.00 0.00 179.25 180.55 1nvj h GLY 111 N 0.41 0.20 0.89 0.00 0.00 -1.01 -0.45 103.07 103.11 1nvj h GLY 111 Ca 0.02 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.32 1nvj h GLY 111 CO 0.09 0.05 0.43 1.46 0.00 0.00 0.00 176.54 178.57 1nvj h GLN 112 N 0.16 0.82 -0.52 4.80 4.20 -1.19 -1.92 115.11 121.47 1nvj h GLN 112 Ca 0.06 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1nvj h GLN 112 Cb 0.01 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1nvj h GLN 112 CO -0.04 0.54 0.23 0.35 -0.67 0.00 0.00 178.83 179.24 1nvj h PHE 113 N 0.85 0.77 -0.09 2.96 3.57 -0.75 0.44 116.94 124.68 1nvj h PHE 113 Ca 0.27 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1nvj h PHE 113 Cb 0.00 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 1nvj h PHE 113 CO -0.04 0.62 0.03 0.82 -2.23 0.00 0.00 178.31 177.51 1nvj h ILE 114 N 0.69 1.15 -0.85 1.41 2.04 -1.00 -1.43 117.51 119.52 1nvj h ILE 114 Ca 0.18 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.60 1nvj h ILE 114 Cb 0.15 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1nvj h ILE 114 CO -0.02 0.13 0.56 0.24 0.00 0.00 0.00 178.15 179.06 1nvj h MET 115 N -0.02 1.12 -0.18 2.37 2.86 -1.02 0.28 114.93 120.34 1nvj h MET 115 Ca 0.03 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1nvj h MET 115 Cb 0.18 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1nvj h MET 115 CO -0.00 0.75 0.10 -0.44 1.06 0.00 0.00 176.91 178.38 1nvj h ASP 116 N 1.15 0.17 0.83 1.22 3.32 0.05 -1.97 116.42 121.19 1nvj h ASP 116 Ca 0.31 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.22 1nvj h ASP 116 Cb -0.13 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1nvj h ASP 116 CO -0.07 0.12 -0.67 1.88 -1.72 0.00 0.00 179.24 178.79 1nvj h TYR 117 N 0.21 0.00 -0.02 4.55 -1.99 -1.13 -1.26 116.97 117.33 1nvj h TYR 117 Ca 0.07 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.83 1nvj h TYR 117 Cb -0.01 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.69 1nvj h TYR 117 CO -0.08 0.67 -0.16 1.25 -0.00 0.00 0.00 178.16 179.84 1nvj h LEU 118 N 0.00 -0.48 0.02 3.88 5.85 -0.78 -2.73 115.31 121.07 1nvj h LEU 118 Ca -0.01 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1nvj h LEU 118 Cb 1.27 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.51 1nvj h LEU 118 CO 0.09 -0.22 -0.01 0.11 -0.34 0.00 0.00 178.44 178.06 1nvj h LYS 119 N -0.26 -0.03 0.12 1.25 1.79 -0.65 0.38 116.57 119.17 1nvj h LYS 119 Ca 0.06 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1nvj h LYS 119 Cb 0.34 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1nvj h LYS 119 CO -0.17 0.51 -0.06 1.79 -1.08 0.00 0.00 179.45 180.44 1nvj h THR 120 N -0.58 0.91 -0.10 -0.16 1.35 -1.35 -2.82 112.91 110.15 1nvj h THR 120 Ca -0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1nvj h THR 120 Cb 0.55 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1nvj h THR 120 CO 0.00 0.02 0.00 0.54 -0.25 0.00 0.00 175.52 175.84 1nvj n ARG 121 N -5.14 1.73 -1.12 4.72 1.74 -1.03 -4.99 116.66 112.57 1nvj n ARG 121 Ca -0.08 -1.08 -0.48 0.00 -0.77 0.00 0.00 57.85 55.44 1nvj n ARG 121 Cb 0.11 -1.44 -0.11 0.00 -1.02 0.00 0.00 32.46 30.00 1nvj n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nvj n ALA 122 N 0.30 0.20 -1.61 7.54 0.00 0.13 -4.79 120.51 122.28 1nvj n ALA 122 Ca 0.17 0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 1nvj n ALA 122 Cb 0.35 -1.81 -0.04 0.00 0.00 0.00 0.00 19.45 17.94 1nvj n ALA 122 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1nvj n PRO 123 N 6.60 3.58 -4.21 0.00 -0.04 -1.26 -4.78 135.00 134.90 1nvj n PRO 123 Ca 0.49 -2.64 -0.18 0.00 -0.04 0.00 0.00 63.50 61.13 1nvj n PRO 123 Cb -0.02 -2.47 -0.12 0.00 -0.04 0.00 0.00 33.50 30.85 1nvj n PRO 123 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1nvj s PHE 124 N -0.37 1.31 0.15 0.54 0.40 -1.26 -4.48 117.98 114.26 1nvj s PHE 124 Ca 0.60 -0.51 0.05 0.00 -0.60 0.00 0.00 56.93 56.47 1nvj s PHE 124 Cb 0.25 -0.71 -0.04 0.00 0.51 0.00 0.00 43.02 43.02 1nvj s PHE 124 CO -0.11 0.10 -0.11 1.67 0.70 0.00 0.00 175.22 177.47 1nvj s TRP 125 N -1.68 1.31 -0.10 0.36 -2.14 -0.17 -2.57 118.94 113.95 1nvj s TRP 125 Ca 0.03 -0.71 -0.09 0.00 2.66 0.00 0.00 56.10 57.99 1nvj s TRP 125 Cb -0.08 -0.66 -0.04 0.00 -3.10 0.00 0.00 33.47 29.59 1nvj s TRP 125 CO 0.02 0.11 0.21 0.15 -2.66 0.00 0.00 176.95 174.78 1nvj s LYS 126 N -3.54 3.62 -0.22 3.25 1.02 -0.14 -0.48 119.74 123.24 1nvj s LYS 126 Ca 0.15 0.00 -0.06 0.00 0.02 0.00 0.00 55.97 56.09 1nvj s LYS 126 Cb 0.01 -3.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.08 1nvj s LYS 126 CO 0.01 0.72 0.01 0.50 -0.92 0.00 0.00 175.35 175.67 1nvj s ARG 127 N -0.92 3.56 -0.24 1.68 3.52 0.02 -1.97 118.95 124.61 1nvj s ARG 127 Ca 0.17 -0.53 -0.02 0.00 -0.13 0.00 0.00 55.73 55.22 1nvj s ARG 127 Cb -0.13 -3.15 0.02 0.00 -1.56 0.00 0.00 34.95 30.13 1nvj s ARG 127 CO 0.06 -0.12 -0.07 -1.21 -0.81 0.00 0.00 175.30 173.15 1nvj s GLU 128 N 1.37 2.94 0.38 5.12 2.02 -0.18 -4.05 118.70 126.31 1nvj s GLU 128 Ca 0.05 -0.90 -0.27 0.00 0.02 0.00 0.00 54.97 53.87 1nvj s GLU 128 Cb -0.15 -2.95 -0.09 0.00 0.10 0.00 0.00 34.13 31.04 1nvj s GLU 128 CO 0.01 -0.35 1.26 0.00 0.02 0.00 0.00 175.26 176.20 1nvj s ALA 129 N 1.35 3.29 0.10 5.21 0.00 -1.26 -1.23 121.76 129.22 1nvj s ALA 129 Ca 0.02 1.15 -0.05 0.00 0.00 0.00 0.00 51.96 53.08 1nvj s ALA 129 Cb -0.16 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 1nvj s ALA 129 CO -0.05 -0.68 0.13 0.95 0.00 0.00 0.00 175.76 176.11 1nvj s THR 130 N -1.27 0.14 -0.26 0.00 -4.23 -1.26 -4.85 115.64 103.90 1nvj s THR 130 Ca 0.55 -1.53 -0.35 0.00 -1.18 0.00 0.00 61.69 59.17 1nvj s THR 130 Cb -0.36 -1.64 -0.12 0.00 1.34 0.00 0.00 72.50 71.72 1nvj s THR 130 CO 0.47 -0.62 2.03 -2.65 -0.54 0.00 0.00 174.62 173.31 1nvj n PRO 131 N -0.06 1.46 -3.50 3.99 -0.02 -1.26 -2.68 135.00 132.93 1nvj n PRO 131 Ca -0.11 0.47 -0.23 0.00 -2.02 0.00 0.00 63.50 61.61 1nvj n PRO 131 Cb 0.62 -2.51 0.05 0.00 -0.02 0.00 0.00 33.50 31.65 1nvj n PRO 131 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1nvj n GLU 132 N 7.35 -2.49 0.00 -0.52 1.02 -1.26 -4.88 120.64 119.86 1nvj n GLU 132 Ca 0.33 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 58.13 1nvj n GLU 132 Cb 0.25 -5.05 0.00 0.00 -0.02 0.00 0.00 31.44 26.61 1nvj n GLU 132 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nvj n GLY 133 N -1.46 0.94 0.00 0.62 0.00 -1.09 -5.13 105.19 99.06 1nvj n GLY 133 Ca -0.13 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1nvj n GLY 133 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nvj n ASP 134 N 0.00 0.00 -4.62 1.61 10.43 -1.26 -4.76 116.55 117.95 1nvj n ASP 134 Ca 0.00 0.00 -0.34 0.00 2.57 0.00 0.00 54.79 57.02 1nvj n ASP 134 Cb 0.00 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 42.86 1nvj n ASP 134 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1nvj s ARG 135 N -3.13 3.76 -0.26 -1.24 3.52 -0.36 -4.92 118.95 116.31 1nvj s ARG 135 Ca 0.00 -0.39 -0.06 0.00 -0.13 0.00 0.00 55.73 55.15 1nvj s ARG 135 Cb 0.00 -3.08 -0.01 0.00 -1.56 0.00 0.00 34.95 30.30 1nvj s ARG 135 CO 0.00 0.34 0.05 -1.58 -0.81 0.00 0.00 175.30 173.30 1nvj s TRP 136 N 0.15 3.09 0.30 5.12 0.52 -1.26 -1.01 118.94 125.85 1nvj s TRP 136 Ca 0.03 -0.76 0.03 0.00 0.02 0.00 0.00 56.10 55.42 1nvj s TRP 136 Cb -0.13 -2.22 -0.05 0.00 -1.15 0.00 0.00 33.47 29.92 1nvj s TRP 136 CO 0.01 -0.49 0.09 0.14 0.02 0.00 0.00 176.95 176.73 1nvj s VAL 137 N 1.54 0.77 0.41 4.03 -7.23 -0.83 -5.01 120.40 114.07 1nvj s VAL 137 Ca 0.05 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.03 1nvj s VAL 137 Cb -0.16 -2.65 -0.10 0.00 0.56 0.00 0.00 36.38 34.03 1nvj s VAL 137 CO 0.02 0.00 0.89 -1.83 -0.31 0.00 0.00 175.10 173.87 1nvj s GLU 138 N -3.93 4.14 -0.58 4.82 -1.05 -1.26 -0.97 118.70 119.87 1nvj s GLU 138 Ca 0.36 0.97 -0.24 0.00 -0.15 0.00 0.00 54.97 55.90 1nvj s GLU 138 Cb 0.07 -2.25 0.04 0.00 -0.44 0.00 0.00 34.13 31.56 1nvj s GLU 138 CO 0.15 0.00 0.97 0.00 0.95 0.00 0.00 175.26 177.33 1nvj s ALA 139 N -2.16 3.13 0.00 -0.84 0.00 -1.06 -4.51 121.76 116.31 1nvj s ALA 139 Ca 0.59 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1nvj s ALA 139 Cb -0.09 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1nvj s ALA 139 CO 0.16 -2.49 0.07 0.54 0.00 0.00 0.00 175.76 174.04