#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 4.11 -0.06 0.00 8.01 -1.26 -4.87 118.70 124.63 1nvj s GLU 3 Ca 0.00 0.94 0.05 0.00 0.01 0.00 0.00 54.97 55.96 1nvj s GLU 3 Cb 0.00 -2.26 -0.00 0.00 -4.31 0.00 0.00 34.13 27.55 1nvj s GLU 3 CO 0.00 0.01 -0.21 0.99 0.01 0.00 0.00 175.26 176.06 1nvj s THR 4 N -2.17 1.76 -0.14 3.63 2.01 -1.26 -1.95 115.64 117.53 1nvj s THR 4 Ca 0.59 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.71 1nvj s THR 4 Cb -0.09 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.90 1nvj s THR 4 CO 0.17 0.49 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.70 1nvj s LYS 5 N 0.09 3.30 -0.09 4.92 2.20 0.09 -4.99 119.74 125.26 1nvj s LYS 5 Ca -0.08 -0.72 -0.00 0.00 -0.36 0.00 0.00 55.97 54.80 1nvj s LYS 5 Cb -0.14 -2.60 0.02 0.00 -1.51 0.00 0.00 37.83 33.60 1nvj s LYS 5 CO 0.04 0.14 -0.06 0.42 -0.36 0.00 0.00 175.35 175.54 1nvj s ILE 6 N 0.52 0.82 -0.02 5.43 -1.09 -1.26 -0.66 121.20 124.94 1nvj s ILE 6 Ca -0.10 -0.18 -0.02 0.00 -2.23 0.00 0.00 60.65 58.12 1nvj s ILE 6 Cb -0.16 -0.87 0.01 0.00 -1.58 0.00 0.00 42.46 39.86 1nvj s ILE 6 CO 0.04 0.33 0.06 -0.69 -1.23 0.00 0.00 174.94 173.45 1nvj s VAL 7 N 1.61 -0.02 -0.06 2.92 1.01 -0.78 -5.03 120.40 120.06 1nvj s VAL 7 Ca 0.02 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1nvj s VAL 7 Cb -0.13 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.17 1nvj s VAL 7 CO -0.06 0.02 -0.08 -0.69 0.00 0.00 0.00 175.10 174.29 1nvj s VAL 8 N 0.32 0.87 -0.03 2.92 1.01 -1.26 -1.24 120.40 123.00 1nvj s VAL 8 Ca -0.02 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.35 1nvj s VAL 8 Cb -0.04 -0.84 0.12 0.00 0.00 0.00 0.00 36.38 35.62 1nvj s VAL 8 CO -0.01 0.30 1.24 -0.83 0.00 0.00 0.00 175.10 175.80 1nvj s GLY 9 N 0.91 -0.38 0.46 4.51 0.00 -0.81 -5.00 107.32 107.01 1nvj s GLY 9 Ca -0.11 0.79 0.29 0.00 0.00 0.00 0.00 44.72 45.69 1nvj s GLY 9 CO 0.01 0.18 1.83 -0.56 0.00 0.00 0.00 173.10 174.55 1nvj h PRO 10 N 2.00 0.00 -6.99 2.90 0.13 -1.89 -2.11 132.00 126.04 1nvj h PRO 10 Ca -0.27 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.38 1nvj h PRO 10 Cb 1.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 1nvj h PRO 10 CO 0.27 0.00 0.41 -0.65 -0.23 0.00 0.00 178.00 177.80 1nvj s GLN 11 N -3.45 4.06 0.39 0.86 1.11 -1.26 -4.68 119.66 116.68 1nvj s GLN 11 Ca 0.04 1.49 -0.27 0.00 0.01 0.00 0.00 55.36 56.63 1nvj s GLN 11 Cb 0.08 -2.43 -0.11 0.00 -1.01 0.00 0.00 33.01 29.54 1nvj s GLN 11 CO 0.57 -0.23 1.44 -2.30 0.01 0.00 0.00 175.29 174.78 1nvj n PRO 12 N -0.30 2.50 -3.05 2.91 -0.02 -1.26 -4.89 135.00 130.88 1nvj n PRO 12 Ca 0.06 0.88 -0.19 0.00 -2.02 0.00 0.00 63.50 62.22 1nvj n PRO 12 Cb 0.50 -2.60 0.01 0.00 -0.02 0.00 0.00 33.50 31.39 1nvj n PRO 12 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1nvj s PHE 13 N -1.13 2.97 -0.09 6.00 -0.12 -1.26 -5.13 117.98 119.22 1nvj s PHE 13 Ca 0.55 -0.16 0.01 0.00 -0.05 0.00 0.00 56.93 57.28 1nvj s PHE 13 Cb -0.49 -2.35 0.02 0.00 -0.63 0.00 0.00 43.02 39.57 1nvj s PHE 13 CO 0.62 -0.40 -0.08 0.45 -0.05 0.00 0.00 175.22 175.76 1nvj s SER 14 N -4.30 1.85 0.36 1.98 0.15 -1.26 -5.01 113.70 107.48 1nvj s SER 14 Ca 0.52 -0.27 0.07 0.00 0.70 0.00 0.00 55.95 56.97 1nvj s SER 14 Cb -0.10 -0.77 0.70 0.00 -1.71 0.00 0.00 66.02 64.15 1nvj s SER 14 CO 0.35 -0.06 1.90 0.58 1.20 0.00 0.00 173.24 177.20 1nvj h VAL 15 N 6.11 1.19 0.00 4.45 2.07 -2.00 -2.19 116.25 125.87 1nvj h VAL 15 Ca -0.31 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 1nvj h VAL 15 Cb 1.15 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1nvj h VAL 15 CO 0.43 0.25 -0.22 1.23 0.02 0.00 0.00 177.57 179.29 1nvj h GLY 16 N 0.78 0.00 1.63 2.17 0.00 -2.00 0.09 103.07 105.73 1nvj h GLY 16 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.28 1nvj h GLY 16 CO 0.02 0.00 -0.82 0.83 0.00 0.00 0.00 176.54 176.56 1nvj h GLU 17 N 0.00 0.00 0.01 4.80 5.08 -1.84 -3.37 114.58 119.25 1nvj h GLU 17 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 1nvj h GLU 17 Cb 0.42 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1nvj h GLU 17 CO 0.03 0.41 -1.63 0.93 -1.00 0.00 0.00 179.01 177.75 1nvj h GLU 18 N 0.00 0.01 -0.35 2.33 4.39 -0.93 -3.41 114.58 116.62 1nvj h GLU 18 Ca -0.06 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 1nvj h GLU 18 Cb 1.44 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.08 1nvj h GLU 18 CO 0.06 0.58 0.01 -0.92 -1.16 0.00 0.00 179.01 177.57 1nvj h TYR 19 N 0.00 0.66 -0.89 4.33 3.20 -1.16 -2.88 116.97 120.23 1nvj h TYR 19 Ca -0.26 -0.11 0.07 0.00 3.14 0.00 0.00 58.73 61.57 1nvj h TYR 19 Cb 1.99 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 40.02 1nvj h TYR 19 CO 0.00 0.71 0.56 -1.35 -1.64 0.00 0.00 178.16 176.44 1nvj h PRO 20 N 0.42 0.96 -0.66 1.82 0.11 -1.79 -0.44 132.00 132.42 1nvj h PRO 20 Ca 0.10 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.08 1nvj h PRO 20 Cb 0.44 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 1nvj h PRO 20 CO 0.02 0.64 0.12 2.35 -0.21 0.00 0.00 178.00 180.91 1nvj h TRP 21 N 0.99 1.15 -0.48 0.65 7.01 -1.81 -2.57 115.95 120.89 1nvj h TRP 21 Ca 0.40 -0.16 -0.06 0.00 2.11 0.00 0.00 58.89 61.18 1nvj h TRP 21 Cb 0.22 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 26.94 1nvj h TRP 21 CO -0.03 0.96 0.05 1.25 -2.79 0.00 0.00 178.44 177.88 1nvj h LEU 22 N 1.00 0.72 -3.04 0.65 5.85 -0.93 -2.88 115.31 116.68 1nvj h LEU 22 Ca 0.20 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1nvj h LEU 22 Cb 0.43 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1nvj h LEU 22 CO 0.01 0.76 0.00 0.00 -0.34 0.00 0.00 178.44 178.87 1nvj n ALA 23 N -2.47 2.80 -0.16 1.25 0.00 -0.32 -4.64 120.51 116.95 1nvj n ALA 23 Ca 0.03 -1.55 -0.11 0.00 0.00 0.00 0.00 53.44 51.82 1nvj n ALA 23 Cb 0.26 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 3.53 0.89 -6.56 0.00 4.81 -1.23 -3.45 114.58 112.58 1nvj h GLU 24 Ca 0.00 -0.33 -0.52 0.00 -0.13 0.00 0.00 59.36 58.38 1nvj h GLU 24 Cb 1.25 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1nvj h GLU 24 CO 0.15 0.97 0.44 1.03 -0.73 0.00 0.00 179.01 180.87 1nvj s ARG 25 N -4.86 4.60 0.25 1.92 0.52 -1.26 -4.95 118.95 115.15 1nvj s ARG 25 Ca -0.12 1.59 -0.06 0.00 -0.52 0.00 0.00 55.73 56.62 1nvj s ARG 25 Cb 0.12 -3.35 0.25 0.00 0.52 0.00 0.00 34.95 32.49 1nvj s ARG 25 CO 0.84 0.05 1.90 -0.44 0.02 0.00 0.00 175.30 177.67 1nvj h ASP 26 N 5.80 1.14 0.34 0.23 3.32 -2.01 -2.08 116.42 123.16 1nvj h ASP 26 Ca -0.43 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1nvj h ASP 26 Cb 1.21 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1nvj h ASP 26 CO 0.74 0.86 0.00 1.05 -1.72 0.00 0.00 179.24 180.17 1nvj h GLU 27 N 1.31 0.00 -4.98 3.56 9.09 -1.98 -3.31 114.58 118.27 1nvj h GLU 27 Ca 0.35 0.00 -0.72 0.00 0.05 0.00 0.00 59.36 59.03 1nvj h GLU 27 Cb -0.08 0.00 -0.16 0.00 -1.65 0.00 0.00 28.75 26.86 1nvj h GLU 27 CO -0.07 0.00 1.47 -0.51 0.05 0.00 0.00 179.01 179.95 1nvj s ASP 28 N -4.70 7.00 0.46 3.06 1.01 -0.78 -4.36 116.67 118.35 1nvj s ASP 28 Ca -0.01 -2.82 0.25 0.00 0.71 0.00 0.00 52.55 50.68 1nvj s ASP 28 Cb 0.09 -2.43 0.51 0.00 1.01 0.00 0.00 42.92 42.10 1nvj s ASP 28 CO 0.36 -0.85 1.67 1.23 0.21 0.00 0.00 175.17 177.80 1nvj h GLY 29 N 10.29 0.00 -5.86 0.21 0.00 -1.50 -3.44 103.07 102.77 1nvj h GLY 29 Ca 0.33 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 47.04 1nvj h GLY 29 CO 1.27 0.00 -0.85 0.00 0.00 0.00 0.00 176.54 176.97 1nvj s ALA 30 N -3.29 1.85 -0.14 3.60 0.00 -0.05 -5.01 121.76 118.72 1nvj s ALA 30 Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1nvj s ALA 30 Cb 0.06 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.34 1nvj s ALA 30 CO 0.65 -0.03 -0.12 0.08 0.00 0.00 0.00 175.76 176.34 1nvj s VAL 31 N 0.87 1.41 -0.11 0.00 1.01 -1.26 -1.43 120.40 120.90 1nvj s VAL 31 Ca -0.08 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1nvj s VAL 31 Cb -0.15 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1nvj s VAL 31 CO -0.01 0.43 -0.18 -0.69 0.00 0.00 0.00 175.10 174.66 1nvj s VAL 32 N 1.54 2.66 0.17 2.92 1.01 -0.21 -5.01 120.40 123.48 1nvj s VAL 32 Ca 0.05 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.31 1nvj s VAL 32 Cb -0.13 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1nvj s VAL 32 CO -0.10 0.54 -0.21 0.42 0.00 0.00 0.00 175.10 175.76 1nvj s THR 33 N 0.23 2.02 -0.05 3.92 -4.23 -1.26 -1.14 115.64 115.12 1nvj s THR 33 Ca -0.11 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1nvj s THR 33 Cb -0.16 -1.92 0.01 0.00 1.34 0.00 0.00 72.50 71.78 1nvj s THR 33 CO 0.06 -0.20 -0.10 0.12 -0.54 0.00 0.00 174.62 173.96 1nvj s PHE 34 N -1.77 1.20 -0.13 3.99 5.36 -0.07 -5.00 117.98 121.56 1nvj s PHE 34 Ca 0.16 -0.40 0.02 0.00 -0.96 0.00 0.00 56.93 55.76 1nvj s PHE 34 Cb -0.07 -0.90 0.00 0.00 -0.34 0.00 0.00 43.02 41.71 1nvj s PHE 34 CO 0.07 -0.22 -0.20 0.99 -1.46 0.00 0.00 175.22 174.41 1nvj s THR 35 N 0.60 2.28 -0.13 0.12 2.01 -1.26 -1.31 115.64 117.94 1nvj s THR 35 Ca -0.11 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 60.95 1nvj s THR 35 Cb -0.14 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1nvj s THR 35 CO 0.02 0.54 -0.07 -0.83 -0.69 0.00 0.00 174.62 173.59 1nvj s GLY 36 N 0.66 1.66 0.27 4.40 0.00 -0.01 -5.00 107.32 109.32 1nvj s GLY 36 Ca -0.10 -0.85 0.10 0.00 0.00 0.00 0.00 44.72 43.87 1nvj s GLY 36 CO 0.02 -0.22 -0.02 0.54 0.00 0.00 0.00 173.10 173.42 1nvj s LYS 37 N 0.12 2.23 0.07 2.90 1.02 -1.26 -0.88 119.74 123.94 1nvj s LYS 37 Ca -0.03 -1.47 -0.30 0.00 0.02 0.00 0.00 55.97 54.19 1nvj s LYS 37 Cb -0.14 -2.12 -0.09 0.00 -0.52 0.00 0.00 37.83 34.96 1nvj s LYS 37 CO 0.03 0.34 1.83 0.08 -0.92 0.00 0.00 175.35 176.71 1nvj s VAL 38 N -2.35 2.90 0.35 3.17 1.01 -0.46 -4.89 120.40 120.12 1nvj s VAL 38 Ca 0.32 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 1nvj s VAL 38 Cb -0.06 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.13 1nvj s VAL 38 CO 0.20 -0.01 0.72 -0.13 0.00 0.00 0.00 175.10 175.88 1nvj s ARG 39 N 3.44 3.85 -1.03 2.72 1.81 -1.26 -1.43 118.95 127.06 1nvj s ARG 39 Ca 0.81 0.49 -0.19 0.00 -1.72 0.00 0.00 55.73 55.13 1nvj s ARG 39 Cb -0.42 -2.45 0.11 0.00 -0.45 0.00 0.00 34.95 31.74 1nvj s ARG 39 CO 0.37 0.08 1.31 1.21 -0.68 0.00 0.00 175.30 177.59 1nvj s ASN 40 N -2.76 6.68 0.00 0.23 3.04 -1.26 -2.51 114.94 118.35 1nvj s ASN 40 Ca 0.51 -2.07 0.00 0.00 0.04 0.00 0.00 52.86 51.34 1nvj s ASN 40 Cb -0.10 -2.46 0.00 0.00 -1.54 0.00 0.00 41.25 37.15 1nvj s ASN 40 CO 0.25 -1.14 0.00 0.00 -3.04 0.00 0.00 177.10 173.17 1nvj n HIS 41 N 7.17 0.00 0.10 0.43 1.44 -1.26 -4.74 115.22 118.36 1nvj n HIS 41 Ca 0.30 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 56.20 1nvj n HIS 41 Cb 0.48 0.00 0.73 0.00 0.12 0.00 0.00 29.99 31.33 1nvj n HIS 41 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 1nvj h ASN 42 N 0.00 0.00 0.00 4.39 -0.26 -1.88 -3.32 115.58 114.51 1nvj h ASN 42 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1nvj h ASN 42 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1nvj h ASN 42 CO 0.00 0.00 -0.50 0.18 -1.06 0.00 0.00 177.43 176.05 1nvj n LEU 43 N -4.13 1.23 0.00 1.61 4.77 -1.25 -5.03 117.00 114.20 1nvj n LEU 43 Ca 0.06 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1nvj n LEU 43 Cb 0.48 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1nvj n LEU 43 CO 0.33 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 1nvj n GLY 44 N 2.10 2.14 0.00 -0.72 0.00 -1.25 -4.95 105.19 102.51 1nvj n GLY 44 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1nvj n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nvj n ASP 45 N 2.74 -0.27 -3.78 1.61 9.92 -1.26 -4.93 116.55 120.59 1nvj n ASP 45 Ca 0.00 -0.05 -0.30 0.00 -0.53 0.00 0.00 54.79 53.91 1nvj n ASP 45 Cb 0.00 0.00 0.26 0.00 -0.64 0.00 0.00 41.12 40.74 1nvj n ASP 45 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1nvj s SER 46 N -1.71 0.09 -0.69 -2.24 0.01 -1.26 -4.95 113.70 102.95 1nvj s SER 46 Ca 0.00 0.87 -0.20 0.00 1.31 0.00 0.00 55.95 57.93 1nvj s SER 46 Cb 0.00 -1.26 0.10 0.00 0.21 0.00 0.00 66.02 65.07 1nvj s SER 46 CO 0.00 -4.66 0.88 -0.69 0.41 0.00 0.00 173.24 169.18 1nvj s VAL 47 N -2.60 4.63 0.40 3.43 1.01 -1.26 -5.01 120.40 121.00 1nvj s VAL 47 Ca 0.69 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.85 1nvj s VAL 47 Cb -0.14 -4.62 -0.01 0.00 0.00 0.00 0.00 36.38 31.61 1nvj s VAL 47 CO 0.58 -1.32 0.42 0.54 0.00 0.00 0.00 175.10 175.32 1nvj s ASN 48 N 3.60 5.33 0.30 3.32 2.20 -1.26 -5.12 114.94 123.31 1nvj s ASN 48 Ca 0.20 -0.57 -0.23 0.00 -0.94 0.00 0.00 52.86 51.32 1nvj s ASN 48 Cb -0.17 -0.72 -0.09 0.00 -2.00 0.00 0.00 41.25 38.26 1nvj s ASN 48 CO 0.05 -0.61 0.87 0.00 -2.94 0.00 0.00 177.10 174.47 1nvj s ALA 49 N -2.38 3.26 -0.08 3.54 0.00 -1.26 -4.92 121.76 119.91 1nvj s ALA 49 Ca 0.48 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 1nvj s ALA 49 Cb -0.06 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 1nvj s ALA 49 CO 0.29 0.22 1.20 -1.17 0.00 0.00 0.00 175.76 176.30 1nvj s LEU 50 N -2.14 4.25 -0.27 0.00 2.96 0.18 -4.89 118.68 118.78 1nvj s LEU 50 Ca 0.49 1.77 -0.05 0.00 -0.22 0.00 0.00 54.13 56.12 1nvj s LEU 50 Cb -0.17 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1nvj s LEU 50 CO 0.22 -0.61 0.03 -0.89 -1.32 0.00 0.00 176.35 173.77 1nvj s THR 51 N 2.47 3.67 -0.14 3.68 2.01 -0.99 0.70 115.64 127.04 1nvj s THR 51 Ca 0.55 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.85 1nvj s THR 51 Cb -0.24 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 1nvj s THR 51 CO 0.20 0.20 0.00 -0.76 -0.69 0.00 0.00 174.62 173.58 1nvj s LEU 52 N 1.47 3.52 0.17 4.42 1.43 -0.08 -1.74 118.68 127.87 1nvj s LEU 52 Ca 0.03 0.02 0.09 0.00 -1.03 0.00 0.00 54.13 53.24 1nvj s LEU 52 Cb -0.16 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1nvj s LEU 52 CO 0.00 0.24 -0.13 -1.61 0.23 0.00 0.00 176.35 175.08 1nvj s GLU 53 N -0.06 1.93 0.45 1.70 2.02 0.24 -0.92 118.70 124.06 1nvj s GLU 53 Ca 0.04 -1.28 0.03 0.00 0.02 0.00 0.00 54.97 53.78 1nvj s GLU 53 Cb -0.13 -2.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.95 1nvj s GLU 53 CO 0.02 0.44 0.03 -3.38 0.02 0.00 0.00 175.26 172.39 1nvj s HIS 54 N -1.57 2.04 -0.47 1.61 -3.43 -1.26 -0.99 115.29 111.22 1nvj s HIS 54 Ca 0.23 -0.93 -0.09 0.00 -0.80 0.00 0.00 55.06 53.47 1nvj s HIS 54 Cb -0.09 -1.55 0.12 0.00 -1.43 0.00 0.00 32.58 29.63 1nvj s HIS 54 CO 0.13 0.18 0.34 0.71 -2.00 0.00 0.00 174.74 174.10 1nvj s TYR 55 N -2.93 3.42 0.18 0.38 1.51 -1.26 -4.92 117.35 113.73 1nvj s TYR 55 Ca 0.20 -1.86 -0.33 0.00 -1.01 0.00 0.00 57.07 54.07 1nvj s TYR 55 Cb 0.05 -3.46 -0.15 0.00 -0.11 0.00 0.00 41.96 38.29 1nvj s TYR 55 CO 0.10 -0.98 1.31 -2.30 -1.11 0.00 0.00 175.55 172.56 1nvj n PRO 56 N 4.90 1.53 0.00 -1.71 -0.02 -1.26 -1.68 135.00 136.76 1nvj n PRO 56 Ca -0.08 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1nvj n PRO 56 Cb 0.41 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 2.27 2.03 0.27 -1.23 0.00 -1.26 -4.70 105.19 102.57 1nvj n GLY 57 Ca 0.15 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 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 0.73 -0.17 1.61 2.86 -1.79 -1.33 114.93 116.84 1nvj h MET 58 Ca 0.00 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.35 1nvj h MET 58 Cb 0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1nvj h MET 58 CO 0.00 0.84 -0.05 1.15 1.06 0.00 0.00 176.91 179.91 1nvj h THR 59 N 0.66 1.29 -0.36 2.22 2.02 -1.59 -1.30 112.91 115.85 1nvj h THR 59 Ca 0.11 -1.03 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 1nvj h THR 59 Cb 0.61 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 1nvj h THR 59 CO 0.04 0.31 -0.05 -0.33 0.37 0.00 0.00 175.52 175.86 1nvj h GLU 60 N 0.03 0.59 -0.24 6.66 3.07 -1.80 -0.96 114.58 121.94 1nvj h GLU 60 Ca 0.04 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 1nvj h GLU 60 Cb 0.50 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1nvj h GLU 60 CO 0.02 0.65 0.11 -0.22 -1.40 0.00 0.00 179.01 178.17 1nvj h LYS 61 N 0.56 0.34 -0.46 2.33 3.64 -1.12 0.72 116.57 122.58 1nvj h LYS 61 Ca 0.11 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1nvj h LYS 61 Cb 0.43 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1nvj h LYS 61 CO 0.02 0.35 0.16 0.00 -2.27 0.00 0.00 179.45 177.71 1nvj h ALA 62 N 0.98 0.60 -0.54 5.00 0.00 -0.83 0.16 119.26 124.63 1nvj h ALA 62 Ca 0.08 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1nvj h ALA 62 Cb 0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1nvj h ALA 62 CO -0.01 0.23 0.27 -0.07 0.00 0.00 0.00 179.25 179.68 1nvj h LEU 63 N 0.61 0.39 -1.00 0.00 3.38 -1.09 -0.69 115.31 116.90 1nvj h LEU 63 Ca 0.15 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1nvj h LEU 63 Cb 0.24 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1nvj h LEU 63 CO -0.01 0.26 0.65 0.00 0.09 0.00 0.00 178.44 179.43 1nvj h ALA 64 N 1.29 1.40 -0.03 1.53 0.00 -0.29 -2.24 119.26 120.93 1nvj h ALA 64 Ca 0.24 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 1nvj h ALA 64 Cb 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1nvj h ALA 64 CO -0.17 0.43 -0.70 0.93 0.00 0.00 0.00 179.25 179.74 1nvj h GLU 65 N 1.16 0.16 -0.57 0.00 5.08 -0.33 -1.45 114.58 118.64 1nvj h GLU 65 Ca 0.44 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.57 1nvj h GLU 65 Cb 0.19 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1nvj h GLU 65 CO -0.18 0.80 0.01 0.82 -1.00 0.00 0.00 179.01 179.46 1nvj h ILE 66 N 0.11 1.26 -0.45 3.13 2.04 -0.78 -2.01 117.51 120.82 1nvj h ILE 66 Ca -0.02 -1.11 -0.11 0.00 1.00 0.00 0.00 64.86 64.62 1nvj h ILE 66 Cb 1.25 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1nvj h ILE 66 CO 0.10 0.40 -0.15 0.58 0.00 0.00 0.00 178.15 179.09 1nvj h VAL 67 N 0.88 1.27 -0.50 1.67 2.07 -1.28 -1.17 116.25 119.20 1nvj h VAL 67 Ca 0.16 -1.28 0.06 0.00 0.82 0.00 0.00 66.70 66.46 1nvj h VAL 67 Cb 0.53 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1nvj h VAL 67 CO 0.03 0.44 0.20 0.44 0.02 0.00 0.00 177.57 178.69 1nvj h ASP 68 N 0.72 0.23 -0.70 0.57 3.45 -1.16 -0.53 116.42 118.99 1nvj h ASP 68 Ca 0.11 0.05 -0.02 0.00 0.43 0.00 0.00 57.03 57.60 1nvj h ASP 68 Cb 0.70 0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 39.46 1nvj h ASP 68 CO 0.05 0.16 0.37 -0.08 -1.57 0.00 0.00 179.24 178.17 1nvj h GLU 69 N 0.39 0.99 -0.42 3.56 4.57 -1.19 -1.22 114.58 121.25 1nvj h GLU 69 Ca 0.24 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1nvj h GLU 69 Cb 0.23 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1nvj h GLU 69 CO -0.22 0.76 0.13 0.00 -1.18 0.00 0.00 179.01 178.50 1nvj h ALA 70 N 1.18 1.44 0.00 2.92 0.00 -0.67 -2.21 119.26 121.92 1nvj h ALA 70 Ca 0.25 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1nvj h ALA 70 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1nvj h ALA 70 CO -0.04 0.42 -0.24 0.00 0.00 0.00 0.00 179.25 179.39 1nvj h ARG 71 N 0.61 0.00 0.00 0.00 3.08 -0.06 -1.28 114.38 116.73 1nvj h ARG 71 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1nvj h ARG 71 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1nvj h ARG 71 CO -0.01 0.24 0.00 -0.91 -1.07 0.00 0.00 179.97 178.22 1nvj h ASN 72 N 0.00 0.00 0.00 7.04 -0.26 -0.62 -3.35 115.58 118.39 1nvj h ASN 72 Ca -0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.60 1nvj h ASN 72 Cb 0.79 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.02 1nvj h ASN 72 CO 0.03 0.00 -1.75 0.54 -1.06 0.00 0.00 177.43 175.19 1nvj n ARG 73 N -2.68 1.33 -4.13 0.81 1.74 -0.79 -5.01 116.66 107.93 1nvj n ARG 73 Ca 0.02 -0.05 -0.15 0.00 -0.77 0.00 0.00 57.85 56.90 1nvj n ARG 73 Cb 0.31 -1.32 -0.12 0.00 -1.02 0.00 0.00 32.46 30.31 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 -2.56 0.74 -0.90 -1.55 0.51 -0.55 -5.08 118.94 109.54 1nvj s TRP 74 Ca -0.06 -0.38 -0.25 0.00 -2.12 0.00 0.00 56.10 53.29 1nvj s TRP 74 Cb 0.06 -0.44 0.04 0.00 -0.81 0.00 0.00 33.47 32.32 1nvj s TRP 74 CO 0.53 -0.04 1.37 -1.25 -0.51 0.00 0.00 176.95 177.05 1nvj s PRO 75 N -1.20 3.42 0.07 4.98 0.04 -1.26 -4.43 135.00 136.62 1nvj s PRO 75 Ca -0.05 -0.74 0.02 0.00 0.04 0.00 0.00 61.00 60.27 1nvj s PRO 75 Cb -0.08 -4.85 -0.04 0.00 0.04 0.00 0.00 34.50 29.57 1nvj s PRO 75 CO 0.01 -2.18 0.11 -0.51 0.04 0.00 0.00 177.00 174.46 1nvj s LEU 76 N 5.29 3.92 0.00 -3.56 1.43 -1.26 -4.42 118.68 120.08 1nvj s LEU 76 Ca 0.41 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1nvj s LEU 76 Cb -0.04 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.61 1nvj s LEU 76 CO 0.01 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.37 1nvj n GLY 77 N 0.43 0.51 3.76 -3.19 0.00 -0.41 -4.91 105.19 101.38 1nvj n GLY 77 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 2.87 4.44 -0.03 1.61 0.52 -1.26 -4.42 118.95 122.68 1nvj s ARG 78 Ca 0.00 2.07 0.02 0.00 -0.52 0.00 0.00 55.73 57.30 1nvj s ARG 78 Cb 0.00 -3.13 0.01 0.00 0.52 0.00 0.00 34.95 32.34 1nvj s ARG 78 CO 0.00 -0.10 -0.10 0.08 0.02 0.00 0.00 175.30 175.21 1nvj s VAL 79 N -0.83 0.86 -0.05 3.52 1.01 -0.82 -1.62 120.40 122.47 1nvj s VAL 79 Ca 0.50 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1nvj s VAL 79 Cb -0.37 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 1nvj s VAL 79 CO 0.46 0.27 -0.19 -0.89 0.00 0.00 0.00 175.10 174.75 1nvj s THR 80 N 0.33 1.59 -0.12 3.92 2.01 0.16 -0.73 115.64 122.80 1nvj s THR 80 Ca -0.06 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 61.12 1nvj s THR 80 Cb -0.11 -1.36 0.04 0.00 0.01 0.00 0.00 72.50 71.08 1nvj s THR 80 CO 0.01 0.45 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.70 1nvj s VAL 81 N 0.00 0.59 -0.06 3.82 1.01 0.17 -0.45 120.40 125.48 1nvj s VAL 81 Ca -0.04 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1nvj s VAL 81 Cb -0.12 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.43 1nvj s VAL 81 CO 0.03 0.14 -0.21 -0.63 0.00 0.00 0.00 175.10 174.42 1nvj s ILE 82 N 1.87 1.77 -0.06 2.22 1.01 -0.20 -1.86 121.20 125.94 1nvj s ILE 82 Ca 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1nvj s ILE 82 Cb -0.14 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.84 1nvj s ILE 82 CO -0.07 0.50 -0.04 -2.28 0.00 0.00 0.00 174.94 173.05 1nvj s HIS 83 N 0.04 0.89 0.36 3.97 2.46 -0.37 -1.20 115.29 121.44 1nvj s HIS 83 Ca -0.07 -0.30 -0.15 0.00 0.47 0.00 0.00 55.06 55.01 1nvj s HIS 83 Cb -0.14 -0.82 -0.09 0.00 -0.13 0.00 0.00 32.58 31.40 1nvj s HIS 83 CO 0.04 -0.29 0.79 0.50 -2.47 0.00 0.00 174.74 173.31 1nvj s ARG 84 N 1.34 4.00 0.29 2.88 3.52 0.14 -1.93 118.95 129.19 1nvj s ARG 84 Ca -0.04 0.72 0.04 0.00 -0.13 0.00 0.00 55.73 56.32 1nvj s ARG 84 Cb -0.14 -2.37 -0.01 0.00 -1.56 0.00 0.00 34.95 30.87 1nvj s ARG 84 CO -0.03 0.07 0.13 0.44 -0.81 0.00 0.00 175.30 175.11 1nvj n ILE 85 N -0.62 0.00 -0.52 4.11 -5.35 -0.79 -4.85 119.36 111.34 1nvj n ILE 85 Ca 0.04 -1.78 0.00 0.00 -0.27 0.00 0.00 62.75 60.74 1nvj n ILE 85 Cb 0.53 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 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 -0.11 -0.74 3.64 3.28 0.00 -0.10 -4.33 105.19 106.82 1nvj n GLY 86 Ca -0.02 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 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 4.13 0.05 1.61 2.12 -1.26 -0.90 118.70 124.44 1nvj s GLU 87 Ca 0.00 0.45 0.04 0.00 0.36 0.00 0.00 54.97 55.82 1nvj s GLU 87 Cb 0.00 -3.62 -0.02 0.00 0.26 0.00 0.00 34.13 30.74 1nvj s GLU 87 CO 0.00 -0.31 -0.11 -0.51 -0.54 0.00 0.00 175.26 173.79 1nvj s LEU 88 N 2.17 2.23 0.23 2.70 1.43 0.22 -4.98 118.68 122.68 1nvj s LEU 88 Ca 0.24 -0.53 0.10 0.00 -1.03 0.00 0.00 54.13 52.91 1nvj s LEU 88 Cb -0.16 -0.37 -0.05 0.00 0.03 0.00 0.00 46.19 45.64 1nvj s LEU 88 CO 0.09 -0.10 -0.18 0.26 0.23 0.00 0.00 176.35 176.65 1nvj s TRP 89 N -1.17 2.02 -0.02 0.29 0.52 -1.26 -0.65 118.94 118.67 1nvj s TRP 89 Ca -0.04 -0.44 -0.38 0.00 0.02 0.00 0.00 56.10 55.26 1nvj s TRP 89 Cb -0.09 -0.93 -0.17 0.00 -1.15 0.00 0.00 33.47 31.13 1nvj s TRP 89 CO 0.01 0.51 1.42 -2.30 0.02 0.00 0.00 176.95 176.61 1nvj n PRO 90 N -0.30 1.02 0.00 4.98 -0.02 -1.26 -1.52 135.00 137.90 1nvj n PRO 90 Ca -0.08 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1nvj n PRO 90 Cb 0.59 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 2.85 3.43 3.74 -1.23 0.00 -0.51 -4.97 105.19 108.50 1nvj n GLY 91 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.94 6.79 -0.17 1.61 1.01 -0.57 -4.75 116.67 119.65 1nvj s ASP 92 Ca 0.00 2.49 -0.29 0.00 0.71 0.00 0.00 52.55 55.46 1nvj s ASP 92 Cb 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 1nvj s ASP 92 CO 0.00 -0.61 1.30 -1.61 0.21 0.00 0.00 175.17 174.46 1nvj s GLU 93 N 0.01 4.19 -0.00 8.23 2.02 -1.26 -1.36 118.70 130.53 1nvj s GLU 93 Ca 0.59 1.66 0.03 0.00 0.02 0.00 0.00 54.97 57.27 1nvj s GLU 93 Cb -0.39 -3.80 -0.04 0.00 0.10 0.00 0.00 34.13 30.00 1nvj s GLU 93 CO 0.38 -0.77 0.11 0.44 0.02 0.00 0.00 175.26 175.44 1nvj n ILE 94 N 5.48 0.00 -3.79 -1.63 -5.35 -0.06 -4.81 119.36 109.20 1nvj n ILE 94 Ca 0.14 -0.24 -0.13 0.00 -0.27 0.00 0.00 62.75 62.26 1nvj n ILE 94 Cb 0.45 0.69 -0.11 0.00 -1.74 0.00 0.00 39.64 38.93 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 -1.81 0.00 -0.05 7.28 0.11 -1.04 -0.69 120.40 124.22 1nvj s VAL 95 Ca -0.00 -0.03 -0.00 0.00 -2.93 0.00 0.00 61.98 59.02 1nvj s VAL 95 Cb 0.02 -0.37 0.03 0.00 -1.53 0.00 0.00 36.38 34.53 1nvj s VAL 95 CO 0.14 -0.02 -0.01 0.12 -3.33 0.00 0.00 175.10 172.00 1nvj s PHE 96 N 0.05 0.60 -0.12 1.54 5.36 -0.34 -0.83 117.98 124.24 1nvj s PHE 96 Ca -0.01 -0.13 0.01 0.00 -0.96 0.00 0.00 56.93 55.84 1nvj s PHE 96 Cb -0.02 -0.66 0.02 0.00 -0.34 0.00 0.00 43.02 42.02 1nvj s PHE 96 CO 0.00 -0.23 -0.15 0.08 -1.46 0.00 0.00 175.22 173.47 1nvj s VAL 97 N 1.40 1.51 -0.03 3.12 1.01 -0.43 -1.04 120.40 125.94 1nvj s VAL 97 Ca -0.04 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.37 1nvj s VAL 97 Cb -0.13 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 1nvj s VAL 97 CO -0.03 0.44 -0.22 -0.83 0.00 0.00 0.00 175.10 174.47 1nvj s GLY 98 N 1.15 1.13 0.00 4.51 0.00 0.40 -0.89 107.32 113.63 1nvj s GLY 98 Ca -0.03 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 1nvj s GLY 98 CO -0.04 -0.67 0.02 0.14 0.00 0.00 0.00 173.10 172.54 1nvj s VAL 99 N -0.31 0.04 0.27 1.40 1.01 -0.29 -0.66 120.40 121.86 1nvj s VAL 99 Ca 0.02 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.73 1nvj s VAL 99 Cb -0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 36.38 36.07 1nvj s VAL 99 CO 0.01 -0.19 -0.08 0.42 0.00 0.00 0.00 175.10 175.26 1nvj s THR 100 N -0.56 1.75 0.15 3.92 -4.23 -0.64 -1.04 115.64 114.99 1nvj s THR 100 Ca -0.06 -2.16 -0.25 0.00 -1.18 0.00 0.00 61.69 58.04 1nvj s THR 100 Cb -0.04 -2.40 0.07 0.00 1.34 0.00 0.00 72.50 71.47 1nvj s THR 100 CO -0.00 -0.34 0.99 -0.55 -0.54 0.00 0.00 174.62 174.18 1nvj s SER 101 N -3.44 -0.14 0.09 3.99 0.15 -0.51 -1.29 113.70 112.55 1nvj s SER 101 Ca 0.29 -0.44 0.04 0.00 0.70 0.00 0.00 55.95 56.54 1nvj s SER 101 Cb 0.03 0.48 -0.23 0.00 -1.71 0.00 0.00 66.02 64.58 1nvj s SER 101 CO 0.12 -0.89 1.19 0.00 1.20 0.00 0.00 173.24 174.85 1nvj h ALA 102 N 2.00 0.32 -3.71 5.45 0.00 -1.77 0.05 119.26 121.60 1nvj h ALA 102 Ca -0.25 -0.95 -0.68 0.00 0.00 0.00 0.00 54.91 53.03 1nvj h ALA 102 Cb 1.23 -0.06 -0.22 0.00 0.00 0.00 0.00 17.79 18.74 1nvj h ALA 102 CO 0.27 1.21 -0.73 -1.01 0.00 0.00 0.00 179.25 178.99 1nvj s HIS 103 N -2.69 2.85 0.23 0.00 3.76 -1.26 -4.48 115.29 113.70 1nvj s HIS 103 Ca -0.01 -0.16 -0.05 0.00 -0.15 0.00 0.00 55.06 54.69 1nvj s HIS 103 Cb 0.09 -1.73 0.22 0.00 1.11 0.00 0.00 32.58 32.27 1nvj s HIS 103 CO 0.84 0.17 1.70 0.07 -0.85 0.00 0.00 174.74 176.67 1nvj h ARG 104 N 5.62 0.90 -0.35 1.40 0.11 -1.93 -2.78 114.38 117.35 1nvj h ARG 104 Ca -0.43 -0.27 0.07 0.00 0.10 0.00 0.00 59.98 59.45 1nvj h ARG 104 Cb 1.17 -0.09 -0.06 0.00 1.11 0.00 0.00 29.97 32.10 1nvj h ARG 104 CO 0.53 0.91 -0.03 1.03 0.10 0.00 0.00 179.97 182.50 1nvj h SER 105 N 0.83 -0.22 -0.51 0.08 0.87 -1.99 -0.35 113.55 112.27 1nvj h SER 105 Ca 0.15 0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.84 1nvj h SER 105 Cb 0.52 0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.61 1nvj h SER 105 CO 0.03 -0.07 0.28 0.28 -0.53 0.00 0.00 176.83 176.82 1nvj h SER 106 N 0.06 0.43 -0.45 6.23 0.02 -1.94 -0.49 113.55 117.40 1nvj h SER 106 Ca 0.17 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1nvj h SER 106 Cb 0.25 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1nvj h SER 106 CO -0.32 0.30 0.15 0.00 -1.14 0.00 0.00 176.83 175.82 1nvj h ALA 107 N 1.25 0.59 -0.16 3.77 0.00 -1.12 -0.50 119.26 123.09 1nvj h ALA 107 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nvj h ALA 107 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1nvj h ALA 107 CO -0.12 0.23 0.08 0.74 0.00 0.00 0.00 179.25 180.18 1nvj h PHE 108 N 0.59 0.23 -0.38 0.00 0.05 -0.88 -0.90 116.94 115.66 1nvj h PHE 108 Ca 0.15 -0.01 -0.11 0.00 3.82 0.00 0.00 57.97 61.82 1nvj h PHE 108 Cb 0.25 -0.07 -0.01 0.00 2.00 0.00 0.00 35.95 38.12 1nvj h PHE 108 CO 0.01 0.26 -0.18 0.93 -0.18 0.00 0.00 178.31 179.15 1nvj h GLU 109 N 0.14 0.79 -0.54 1.51 5.08 -1.03 -2.32 114.58 118.21 1nvj h GLU 109 Ca 0.06 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 58.00 1nvj h GLU 109 Cb 0.11 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1nvj h GLU 109 CO -0.01 0.97 0.04 0.00 -1.00 0.00 0.00 179.01 179.01 1nvj h ALA 110 N 0.80 0.72 -0.64 3.43 0.00 -1.04 -0.81 119.26 121.72 1nvj h ALA 110 Ca 0.08 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1nvj h ALA 110 Cb 0.73 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1nvj h ALA 110 CO 0.06 0.50 0.33 0.78 0.00 0.00 0.00 179.25 180.92 1nvj h GLY 111 N 0.80 0.93 0.98 0.00 0.00 -1.08 -0.17 103.07 104.53 1nvj h GLY 111 Ca 0.16 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 1nvj h GLY 111 CO 0.02 0.11 -0.14 1.46 0.00 0.00 0.00 176.54 177.99 1nvj h GLN 112 N 0.61 0.76 -0.17 4.80 4.20 -1.22 -2.50 115.11 121.58 1nvj h GLN 112 Ca 0.30 -0.32 0.03 0.00 0.06 0.00 0.00 58.65 58.72 1nvj h GLN 112 Cb 0.23 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1nvj h GLN 112 CO -0.21 0.93 -0.03 0.35 -0.67 0.00 0.00 178.83 179.20 1nvj h PHE 113 N 0.56 -0.07 -0.50 2.96 3.57 -0.83 -0.09 116.94 122.54 1nvj h PHE 113 Ca 0.09 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1nvj h PHE 113 Cb 0.68 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1nvj h PHE 113 CO 0.05 -0.06 0.25 0.82 -2.23 0.00 0.00 178.31 177.14 1nvj h ILE 114 N 0.02 1.19 -0.33 1.41 2.04 -1.03 -0.16 117.51 120.65 1nvj h ILE 114 Ca 0.08 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1nvj h ILE 114 Cb 0.12 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1nvj h ILE 114 CO -0.16 0.21 0.14 0.24 0.00 0.00 0.00 178.15 178.58 1nvj h MET 115 N 0.67 0.48 0.15 2.37 2.86 -1.35 0.18 114.93 120.29 1nvj h MET 115 Ca 0.17 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1nvj h MET 115 Cb 0.11 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1nvj h MET 115 CO -0.02 0.48 -0.07 -0.44 1.06 0.00 0.00 176.91 177.91 1nvj h ASP 116 N 0.38 -0.17 0.33 1.22 3.32 -0.70 -1.92 116.42 118.89 1nvj h ASP 116 Ca 0.11 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1nvj h ASP 116 Cb 0.17 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1nvj h ASP 116 CO -0.01 -0.10 -0.47 1.88 -1.72 0.00 0.00 179.24 178.83 1nvj h TYR 117 N -0.22 0.20 -0.48 4.55 -1.99 -1.03 -2.64 116.97 115.36 1nvj h TYR 117 Ca -0.02 -0.06 -0.06 0.00 2.00 0.00 0.00 58.73 60.59 1nvj h TYR 117 Cb 0.17 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 1nvj h TYR 117 CO -0.06 0.60 0.07 1.37 -0.00 0.00 0.00 178.16 180.14 1nvj h LEU 118 N 0.14 0.71 -0.97 3.88 8.10 -0.69 0.85 115.31 127.33 1nvj h LEU 118 Ca 0.01 -0.14 -0.09 0.00 0.11 0.00 0.00 57.88 57.76 1nvj h LEU 118 Cb 0.88 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.90 1nvj h LEU 118 CO 0.07 0.74 -0.45 0.11 -4.11 0.00 0.00 178.44 174.80 1nvj h LYS 119 N 0.72 0.00 -0.00 0.17 1.79 -1.02 -2.36 116.57 115.87 1nvj h LYS 119 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1nvj h LYS 119 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1nvj h LYS 119 CO 0.01 0.45 -0.58 0.25 -1.08 0.00 0.00 179.45 178.49 1nvj n THR 120 N -3.72 0.00 0.00 -0.16 -2.24 -1.03 -4.79 114.28 102.34 1nvj n THR 120 Ca -0.01 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1nvj n THR 120 Cb 0.52 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1nvj n THR 120 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nvj n ARG 121 N -1.16 0.00 -1.88 -0.78 5.12 0.27 -5.04 116.66 113.19 1nvj n ARG 121 Ca 0.03 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.53 1nvj n ARG 121 Cb 0.22 -0.91 -0.03 0.00 -1.16 0.00 0.00 32.46 30.58 1nvj n ARG 121 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1nvj s ALA 122 N -1.93 3.70 -0.38 7.54 0.00 -0.89 -4.90 121.76 124.90 1nvj s ALA 122 Ca 0.00 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 1nvj s ALA 122 Cb 0.00 -3.71 0.01 0.00 0.00 0.00 0.00 23.12 19.42 1nvj s ALA 122 CO 0.00 -1.13 1.34 -1.25 0.00 0.00 0.00 175.76 174.72 1nvj s PRO 123 N 2.65 3.72 0.15 0.00 0.04 -1.26 -4.91 135.00 135.38 1nvj s PRO 123 Ca 0.75 1.00 0.07 0.00 0.04 0.00 0.00 61.00 62.87 1nvj s PRO 123 Cb -0.41 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.13 1nvj s PRO 123 CO 0.33 -1.38 -0.16 -0.06 0.04 0.00 0.00 177.00 175.77 1nvj s PHE 124 N 4.93 1.61 -0.17 0.56 0.40 -1.26 -4.10 117.98 119.95 1nvj s PHE 124 Ca 0.58 -0.52 -0.01 0.00 -0.60 0.00 0.00 56.93 56.38 1nvj s PHE 124 Cb -0.14 -0.82 -0.00 0.00 0.51 0.00 0.00 43.02 42.57 1nvj s PHE 124 CO 0.29 0.24 -0.13 -0.46 0.70 0.00 0.00 175.22 175.87 1nvj s TRP 125 N -2.17 2.84 0.14 0.36 -0.11 -0.16 -4.99 118.94 114.85 1nvj s TRP 125 Ca 0.13 -1.03 -0.01 0.00 1.22 0.00 0.00 56.10 56.41 1nvj s TRP 125 Cb -0.05 -1.95 -0.04 0.00 -1.50 0.00 0.00 33.47 29.93 1nvj s TRP 125 CO 0.05 -0.50 0.32 0.21 -4.62 0.00 0.00 176.95 172.41 1nvj s LYS 126 N 0.98 3.51 0.00 5.86 2.20 -1.26 -0.59 119.74 130.44 1nvj s LYS 126 Ca -0.02 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 1nvj s LYS 126 Cb -0.15 -2.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1nvj s LYS 126 CO -0.02 0.49 0.00 2.89 -0.36 0.00 0.00 175.35 178.35