#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 3.90 -0.14 0.00 2.02 -1.26 -4.91 118.70 118.31 1nvj s GLU 3 Ca 0.00 0.50 0.02 0.00 0.02 0.00 0.00 54.97 55.50 1nvj s GLU 3 Cb 0.00 -2.51 0.02 0.00 0.10 0.00 0.00 34.13 31.74 1nvj s GLU 3 CO 0.00 0.20 -0.18 0.99 0.02 0.00 0.00 175.26 176.28 1nvj s THR 4 N -1.96 1.83 -0.27 3.63 2.01 -1.26 -2.16 115.64 117.45 1nvj s THR 4 Ca 0.51 -0.82 -0.09 0.00 0.31 0.00 0.00 61.69 61.60 1nvj s THR 4 Cb -0.11 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 1nvj s THR 4 CO 0.20 0.50 0.12 -0.75 -0.69 0.00 0.00 174.62 174.01 1nvj s LYS 5 N 1.08 3.67 -0.18 4.92 2.20 0.22 -5.00 119.74 126.64 1nvj s LYS 5 Ca -0.02 -0.49 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 1nvj s LYS 5 Cb -0.14 -3.48 0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1nvj s LYS 5 CO -0.06 -0.24 -0.17 0.42 -0.36 0.00 0.00 175.35 174.94 1nvj s ILE 6 N 1.66 1.91 -0.03 5.43 -1.09 -1.26 -0.59 121.20 127.22 1nvj s ILE 6 Ca 0.06 -0.90 0.02 0.00 -2.23 0.00 0.00 60.65 57.61 1nvj s ILE 6 Cb -0.16 -1.77 0.01 0.00 -1.58 0.00 0.00 42.46 38.96 1nvj s ILE 6 CO 0.06 0.47 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.46 1nvj s VAL 7 N 1.34 0.84 -0.06 2.92 1.01 -0.75 -5.02 120.40 120.67 1nvj s VAL 7 Ca 0.04 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1nvj s VAL 7 Cb -0.13 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.51 1nvj s VAL 7 CO -0.12 0.27 -0.06 -0.69 0.00 0.00 0.00 175.10 174.50 1nvj s VAL 8 N 0.33 0.74 0.00 2.92 1.01 -1.26 -1.69 120.40 122.45 1nvj s VAL 8 Ca -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1nvj s VAL 8 Cb -0.10 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1nvj s VAL 8 CO 0.01 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1nvj n GLY 9 N 4.19 0.54 0.27 4.51 0.00 -1.10 -5.00 105.19 108.60 1nvj n GLY 9 Ca -0.21 -0.78 0.17 0.00 0.00 0.00 0.00 46.02 45.19 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 -7.00 1.61 0.13 -1.89 -2.56 132.00 122.30 1nvj h PRO 10 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1nvj h PRO 10 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 1nvj h PRO 10 CO 0.00 0.00 0.55 -0.65 -0.23 0.00 0.00 178.00 177.67 1nvj s GLN 11 N -3.60 3.66 0.50 0.86 1.11 -1.26 -4.71 119.66 116.22 1nvj s GLN 11 Ca 0.02 1.99 -0.23 0.00 0.01 0.00 0.00 55.36 57.15 1nvj s GLN 11 Cb 0.08 -2.47 -0.07 0.00 -1.01 0.00 0.00 33.01 29.55 1nvj s GLN 11 CO 0.56 -0.69 1.25 -2.30 0.01 0.00 0.00 175.29 174.11 1nvj n PRO 12 N -0.45 1.66 -4.01 2.91 -0.02 -1.26 -4.92 135.00 128.92 1nvj n PRO 12 Ca 0.07 0.60 -0.22 0.00 -2.02 0.00 0.00 63.50 61.94 1nvj n PRO 12 Cb 0.46 -2.42 -0.05 0.00 -0.02 0.00 0.00 33.50 31.48 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 -1.28 2.89 -0.13 6.00 -0.12 -1.26 -5.12 117.98 118.95 1nvj s PHE 13 Ca 0.67 -0.26 0.00 0.00 -0.05 0.00 0.00 56.93 57.30 1nvj s PHE 13 Cb -0.46 -1.59 0.02 0.00 -0.63 0.00 0.00 43.02 40.36 1nvj s PHE 13 CO 0.53 0.35 -0.13 0.45 -0.05 0.00 0.00 175.22 176.38 1nvj s SER 14 N -3.89 2.49 0.23 1.98 0.15 -1.26 -5.02 113.70 108.39 1nvj s SER 14 Ca 0.37 -0.42 -0.06 0.00 0.70 0.00 0.00 55.95 56.53 1nvj s SER 14 Cb -0.06 -1.07 0.22 0.00 -1.71 0.00 0.00 66.02 63.41 1nvj s SER 14 CO 0.25 -0.06 1.82 0.58 1.20 0.00 0.00 173.24 177.03 1nvj h VAL 15 N 6.07 1.26 0.00 4.45 2.07 -2.00 -1.48 116.25 126.62 1nvj h VAL 15 Ca -0.35 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1nvj h VAL 15 Cb 1.14 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1nvj h VAL 15 CO 0.49 0.31 -0.06 1.23 0.02 0.00 0.00 177.57 179.57 1nvj h GLY 16 N 1.18 0.00 1.89 2.17 0.00 -2.00 -0.37 103.07 105.93 1nvj h GLY 16 Ca 0.28 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.40 1nvj h GLY 16 CO -0.03 0.00 -1.04 0.83 0.00 0.00 0.00 176.54 176.30 1nvj h GLU 17 N 0.00 0.00 0.00 4.80 5.08 -1.79 -3.36 114.58 119.31 1nvj h GLU 17 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1nvj h GLU 17 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1nvj h GLU 17 CO 0.01 0.90 -0.87 0.93 -1.00 0.00 0.00 179.01 178.98 1nvj h GLU 18 N 0.00 0.00 -0.22 2.33 4.39 -0.51 -3.39 114.58 117.17 1nvj h GLU 18 Ca -0.04 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1nvj h GLU 18 Cb 1.76 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.41 1nvj h GLU 18 CO 0.12 0.52 -0.08 -0.92 -1.16 0.00 0.00 179.01 177.50 1nvj h TYR 19 N 0.00 0.51 -0.76 4.33 3.20 -1.24 -2.88 116.97 120.14 1nvj h TYR 19 Ca -0.06 -0.12 0.10 0.00 3.14 0.00 0.00 58.73 61.79 1nvj h TYR 19 Cb 1.52 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 39.62 1nvj h TYR 19 CO 0.00 0.70 0.50 -1.35 -1.64 0.00 0.00 178.16 176.37 1nvj h PRO 20 N 0.17 0.65 0.07 1.82 0.11 -1.77 0.21 132.00 133.26 1nvj h PRO 20 Ca 0.05 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1nvj h PRO 20 Cb 0.55 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1nvj h PRO 20 CO 0.03 0.43 -0.03 2.35 -0.21 0.00 0.00 178.00 180.56 1nvj h TRP 21 N 0.67 -0.09 -0.99 0.65 7.01 -1.80 -2.13 115.95 119.27 1nvj h TRP 21 Ca 0.35 -0.00 0.21 0.00 2.11 0.00 0.00 58.89 61.56 1nvj h TRP 21 Cb 0.46 0.03 -0.11 0.00 -2.10 0.00 0.00 29.16 27.44 1nvj h TRP 21 CO -0.00 0.33 0.59 1.25 -2.79 0.00 0.00 178.44 177.82 1nvj h LEU 22 N -0.54 0.72 -2.96 0.65 5.85 -1.22 -2.77 115.31 115.04 1nvj h LEU 22 Ca -0.01 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1nvj h LEU 22 Cb 0.46 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1nvj h LEU 22 CO 0.02 0.20 0.00 0.00 -0.34 0.00 0.00 178.44 178.32 1nvj n ALA 23 N -2.33 2.72 -0.14 1.25 0.00 0.02 -4.63 120.51 117.39 1nvj n ALA 23 Ca 0.24 -1.46 -0.10 0.00 0.00 0.00 0.00 53.44 52.12 1nvj n ALA 23 Cb 0.63 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 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 4.00 0.73 -6.46 0.00 4.57 -1.08 -3.45 114.58 112.90 1nvj h GLU 24 Ca 0.00 -0.23 -0.54 0.00 -1.18 0.00 0.00 59.36 57.41 1nvj h GLU 24 Cb 1.21 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1nvj h GLU 24 CO 0.12 0.81 0.48 1.03 -1.18 0.00 0.00 179.01 180.27 1nvj s ARG 25 N -5.01 4.49 0.31 1.92 0.52 -1.26 -4.94 118.95 114.98 1nvj s ARG 25 Ca -0.13 1.63 0.03 0.00 -0.52 0.00 0.00 55.73 56.74 1nvj s ARG 25 Cb 0.10 -3.39 0.60 0.00 0.52 0.00 0.00 34.95 32.78 1nvj s ARG 25 CO 0.80 -0.17 1.91 -0.44 0.02 0.00 0.00 175.30 177.42 1nvj h ASP 26 N 6.75 0.84 0.51 0.23 5.19 -2.01 -0.28 116.42 127.66 1nvj h ASP 26 Ca -0.41 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1nvj h ASP 26 Cb 1.22 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1nvj h ASP 26 CO 0.78 0.52 0.00 1.05 -3.12 0.00 0.00 179.24 178.48 1nvj h GLU 27 N 0.94 0.00 -3.57 3.56 9.09 -1.98 -3.32 114.58 119.31 1nvj h GLU 27 Ca 0.40 0.00 -0.77 0.00 0.05 0.00 0.00 59.36 59.04 1nvj h GLU 27 Cb 0.30 0.00 -0.20 0.00 -1.65 0.00 0.00 28.75 27.20 1nvj h GLU 27 CO -0.16 0.00 1.50 -0.25 0.05 0.00 0.00 179.01 180.15 1nvj n ASP 28 N -2.72 5.47 -0.23 3.06 8.00 -0.11 -3.74 116.55 126.28 1nvj n ASP 28 Ca -0.00 -3.16 0.14 0.00 0.71 0.00 0.00 54.79 52.47 1nvj n ASP 28 Cb 0.18 -1.44 0.51 0.00 -0.02 0.00 0.00 41.12 40.36 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 2.63 -0.63 2.88 0.44 0.00 -0.94 -4.68 105.19 104.88 1nvj n GLY 29 Ca 0.35 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.38 1.14 -0.18 4.61 0.00 0.65 -4.97 121.76 120.63 1nvj s ALA 30 Ca 0.29 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1nvj s ALA 30 Cb 0.20 -0.83 0.04 0.00 0.00 0.00 0.00 23.12 22.53 1nvj s ALA 30 CO 0.46 -0.38 -0.10 0.08 0.00 0.00 0.00 175.76 175.82 1nvj s VAL 31 N 1.68 1.49 -0.12 0.00 1.01 -1.26 -1.12 120.40 122.08 1nvj s VAL 31 Ca 0.03 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1nvj s VAL 31 Cb -0.13 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1nvj s VAL 31 CO -0.06 0.24 -0.07 -0.69 0.00 0.00 0.00 175.10 174.52 1nvj s VAL 32 N 1.48 3.64 0.12 2.92 1.01 0.45 -5.00 120.40 125.03 1nvj s VAL 32 Ca 0.01 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.61 1nvj s VAL 32 Cb -0.15 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1nvj s VAL 32 CO -0.09 0.54 -0.22 0.42 0.00 0.00 0.00 175.10 175.75 1nvj s THR 33 N -0.05 1.86 -0.03 3.92 -4.23 -1.26 -0.99 115.64 114.85 1nvj s THR 33 Ca 0.00 -1.68 0.05 0.00 -1.18 0.00 0.00 61.69 58.88 1nvj s THR 33 Cb -0.13 -1.72 -0.01 0.00 1.34 0.00 0.00 72.50 71.98 1nvj s THR 33 CO 0.03 -0.09 -0.17 0.12 -0.54 0.00 0.00 174.62 173.97 1nvj s PHE 34 N -1.34 1.62 -0.11 3.99 5.36 -0.01 -5.00 117.98 122.48 1nvj s PHE 34 Ca 0.10 -0.39 0.01 0.00 -0.96 0.00 0.00 56.93 55.69 1nvj s PHE 34 Cb -0.09 -1.07 0.02 0.00 -0.34 0.00 0.00 43.02 41.54 1nvj s PHE 34 CO 0.05 -0.10 -0.13 0.99 -1.46 0.00 0.00 175.22 174.57 1nvj s THR 35 N -0.16 1.35 -0.15 0.12 2.01 -1.26 -1.02 115.64 116.53 1nvj s THR 35 Ca 0.01 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.40 1nvj s THR 35 Cb -0.09 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1nvj s THR 35 CO 0.01 0.42 0.11 -0.83 -0.69 0.00 0.00 174.62 173.63 1nvj s GLY 36 N 1.21 2.06 0.29 4.40 0.00 -0.04 -4.98 107.32 110.26 1nvj s GLY 36 Ca -0.03 -0.69 0.09 0.00 0.00 0.00 0.00 44.72 44.10 1nvj s GLY 36 CO -0.04 -0.20 0.01 0.54 0.00 0.00 0.00 173.10 173.41 1nvj s LYS 37 N -0.44 2.22 0.01 2.90 1.02 -1.26 -0.75 119.74 123.43 1nvj s LYS 37 Ca 0.11 -1.53 -0.30 0.00 0.02 0.00 0.00 55.97 54.27 1nvj s LYS 37 Cb -0.12 -2.09 -0.06 0.00 -0.52 0.00 0.00 37.83 35.04 1nvj s LYS 37 CO 0.02 0.28 1.52 0.08 -0.92 0.00 0.00 175.35 176.33 1nvj s VAL 38 N -2.39 3.49 -1.78 3.17 1.01 -0.56 -4.89 120.40 118.44 1nvj s VAL 38 Ca 0.33 0.84 0.27 0.00 0.00 0.00 0.00 61.98 63.42 1nvj s VAL 38 Cb -0.04 -3.54 0.29 0.00 0.00 0.00 0.00 36.38 33.09 1nvj s VAL 38 CO 0.20 -0.02 1.59 0.54 0.00 0.00 0.00 175.10 177.42 1nvj n ARG 39 N 5.79 0.87 0.00 2.72 5.12 -1.26 -2.73 116.66 127.17 1nvj n ARG 39 Ca 0.15 -0.50 0.00 0.00 -1.93 0.00 0.00 57.85 55.57 1nvj n ARG 39 Cb 0.42 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.23 1nvj n ARG 39 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1nvj n ASN 48 N -0.63 0.00 -4.37 0.55 5.03 -1.26 -4.77 115.26 109.81 1nvj n ASN 48 Ca 0.13 0.00 -0.45 0.00 0.87 0.00 0.00 54.58 55.13 1nvj n ASN 48 Cb 0.34 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.06 1nvj n ASN 48 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1nvj s ALA 49 N -2.91 3.47 0.13 5.41 0.00 -1.26 -4.73 121.76 121.87 1nvj s ALA 49 Ca 0.00 -2.33 -0.31 0.00 0.00 0.00 0.00 51.96 49.32 1nvj s ALA 49 Cb 0.00 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 1nvj s ALA 49 CO 0.00 -2.33 1.70 -1.17 0.00 0.00 0.00 175.76 173.96 1nvj s LEU 50 N 2.46 4.38 -0.23 0.00 2.96 -0.96 -4.84 118.68 122.45 1nvj s LEU 50 Ca 0.11 2.66 -0.04 0.00 -0.22 0.00 0.00 54.13 56.64 1nvj s LEU 50 Cb -0.24 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.87 1nvj s LEU 50 CO 0.05 -0.92 -0.03 -0.89 -1.32 0.00 0.00 176.35 173.24 1nvj s THR 51 N 2.07 3.39 -0.17 3.68 2.01 -1.26 -0.91 115.64 124.45 1nvj s THR 51 Ca 0.75 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 62.09 1nvj s THR 51 Cb -0.44 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1nvj s THR 51 CO 0.33 0.35 0.10 -0.76 -0.69 0.00 0.00 174.62 173.95 1nvj s LEU 52 N 1.46 4.03 0.34 4.42 1.43 -0.79 -1.25 118.68 128.34 1nvj s LEU 52 Ca 0.05 0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.44 1nvj s LEU 52 Cb -0.15 -2.02 -0.06 0.00 0.03 0.00 0.00 46.19 43.99 1nvj s LEU 52 CO -0.03 0.23 -0.10 -1.61 0.23 0.00 0.00 176.35 175.07 1nvj s GLU 53 N 0.07 1.80 0.30 1.70 2.02 -0.39 -1.08 118.70 123.11 1nvj s GLU 53 Ca 0.07 -1.92 -0.04 0.00 0.02 0.00 0.00 54.97 53.10 1nvj s GLU 53 Cb -0.12 -1.68 -0.01 0.00 0.10 0.00 0.00 34.13 32.43 1nvj s GLU 53 CO 0.00 0.14 0.40 -3.38 0.02 0.00 0.00 175.26 172.45 1nvj s HIS 54 N -2.63 0.96 -0.62 1.61 -3.43 -1.26 -2.07 115.29 107.85 1nvj s HIS 54 Ca 0.32 -1.20 -0.14 0.00 -0.80 0.00 0.00 55.06 53.24 1nvj s HIS 54 Cb 0.02 -0.14 0.16 0.00 -1.43 0.00 0.00 32.58 31.18 1nvj s HIS 54 CO 0.16 -1.00 0.56 -0.47 -2.00 0.00 0.00 174.74 171.99 1nvj s TYR 55 N -3.50 3.42 0.04 0.38 6.14 -1.24 -5.04 117.35 117.55 1nvj s TYR 55 Ca 0.31 -1.58 -0.36 0.00 0.64 0.00 0.00 57.07 56.07 1nvj s TYR 55 Cb 0.01 -3.76 -0.15 0.00 0.42 0.00 0.00 41.96 38.47 1nvj s TYR 55 CO 0.17 -1.00 1.50 -2.30 0.64 0.00 0.00 175.55 174.56 1nvj n PRO 56 N 4.81 1.50 0.00 4.97 -0.02 -1.26 -1.46 135.00 143.54 1nvj n PRO 56 Ca -0.05 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1nvj n PRO 56 Cb 0.42 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 3.14 2.25 0.24 -1.23 0.00 -1.26 -4.67 105.19 103.65 1nvj n GLY 57 Ca 0.19 -0.41 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.36 -0.00 1.61 2.86 -1.81 -1.93 114.93 116.02 1nvj h MET 58 Ca 0.00 -0.11 -0.24 0.00 -2.06 0.00 0.00 59.70 57.29 1nvj h MET 58 Cb 0.00 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.63 1nvj h MET 58 CO 0.00 0.54 -0.97 1.79 1.06 0.00 0.00 176.91 179.33 1nvj h THR 59 N 0.33 1.36 -0.64 2.22 1.35 -1.52 -0.44 112.91 115.57 1nvj h THR 59 Ca 0.06 -2.38 0.01 0.00 -0.55 0.00 0.00 66.41 63.55 1nvj h THR 59 Cb 0.53 2.40 -0.03 0.00 -1.73 0.00 0.00 68.15 69.31 1nvj h THR 59 CO 0.03 0.72 0.42 -0.33 -0.25 0.00 0.00 175.52 176.11 1nvj h GLU 60 N 0.28 0.83 -0.83 4.72 3.07 -1.78 0.58 114.58 121.46 1nvj h GLU 60 Ca -0.09 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.71 1nvj h GLU 60 Cb 1.61 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 29.29 1nvj h GLU 60 CO 0.18 0.55 0.48 -0.22 -1.40 0.00 0.00 179.01 178.60 1nvj h LYS 61 N 0.86 1.13 -0.51 2.33 3.64 -1.23 -1.16 116.57 121.63 1nvj h LYS 61 Ca 0.24 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 1nvj h LYS 61 Cb -0.09 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.49 1nvj h LYS 61 CO -0.06 0.81 -0.05 0.00 -2.27 0.00 0.00 179.45 177.89 1nvj h ALA 62 N 1.26 0.70 -0.68 5.00 0.00 -0.38 -0.86 119.26 124.30 1nvj h ALA 62 Ca 0.29 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nvj h ALA 62 Cb -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1nvj h ALA 62 CO -0.05 0.55 0.45 -0.07 0.00 0.00 0.00 179.25 180.13 1nvj h LEU 63 N 0.80 0.78 -1.04 0.00 3.38 -0.62 -0.91 115.31 117.70 1nvj h LEU 63 Ca 0.14 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1nvj h LEU 63 Cb 0.59 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1nvj h LEU 63 CO 0.04 0.57 0.50 0.00 0.09 0.00 0.00 178.44 179.63 1nvj h ALA 64 N 1.25 1.28 -0.37 1.53 0.00 -0.93 -1.92 119.26 120.10 1nvj h ALA 64 Ca 0.25 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1nvj h ALA 64 Cb -0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 1nvj h ALA 64 CO -0.05 0.61 -0.24 0.93 0.00 0.00 0.00 179.25 180.50 1nvj h GLU 65 N 1.17 0.80 -0.44 0.00 5.08 -0.74 -1.89 114.58 118.58 1nvj h GLU 65 Ca 0.30 -0.38 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1nvj h GLU 65 Cb -0.03 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1nvj h GLU 65 CO -0.05 1.01 -0.05 0.82 -1.00 0.00 0.00 179.01 179.74 1nvj h ILE 66 N 0.60 1.24 -0.43 3.13 2.04 -0.88 -1.59 117.51 121.62 1nvj h ILE 66 Ca 0.07 -1.05 -0.14 0.00 1.00 0.00 0.00 64.86 64.75 1nvj h ILE 66 Cb 0.80 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1nvj h ILE 66 CO 0.07 0.36 -0.30 0.58 0.00 0.00 0.00 178.15 178.86 1nvj h VAL 67 N 0.69 1.27 -0.64 1.67 2.07 -1.28 -1.92 116.25 118.11 1nvj h VAL 67 Ca 0.13 -1.46 -0.05 0.00 0.82 0.00 0.00 66.70 66.13 1nvj h VAL 67 Cb 0.49 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1nvj h VAL 67 CO 0.03 0.50 0.19 -0.78 0.02 0.00 0.00 177.57 177.52 1nvj h ASP 68 N 0.79 0.94 -0.75 0.57 3.58 -1.02 -0.14 116.42 120.38 1nvj h ASP 68 Ca 0.09 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 1nvj h ASP 68 Cb 0.87 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.64 1nvj h ASP 68 CO 0.08 0.90 0.42 -0.08 -2.88 0.00 0.00 179.24 177.68 1nvj h GLU 69 N 0.92 1.05 -0.80 0.28 4.57 -1.27 -1.99 114.58 117.35 1nvj h GLU 69 Ca 0.20 -0.12 0.04 0.00 -1.18 0.00 0.00 59.36 58.31 1nvj h GLU 69 Cb 0.31 -0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 28.64 1nvj h GLU 69 CO -0.00 0.78 0.50 0.00 -1.18 0.00 0.00 179.01 179.10 1nvj h ALA 70 N 1.22 1.06 0.00 2.92 0.00 -0.48 -2.21 119.26 121.77 1nvj h ALA 70 Ca 0.27 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1nvj h ALA 70 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1nvj h ALA 70 CO -0.04 0.27 -0.23 0.00 0.00 0.00 0.00 179.25 179.25 1nvj h ARG 71 N 0.94 0.00 0.00 0.00 3.08 -0.45 -0.72 114.38 117.23 1nvj h ARG 71 Ca 0.33 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.30 1nvj h ARG 71 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1nvj h ARG 71 CO -0.14 0.23 -0.40 -0.91 -1.07 0.00 0.00 179.97 177.67 1nvj h ASN 72 N 0.00 0.00 0.10 7.04 -0.26 -0.75 -3.32 115.58 118.39 1nvj h ASN 72 Ca -0.00 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.42 1nvj h ASN 72 Cb 0.47 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.67 1nvj h ASN 72 CO 0.03 0.40 -2.21 0.54 -1.06 0.00 0.00 177.43 175.13 1nvj n ARG 73 N -3.88 0.68 -4.07 0.81 1.74 -0.69 -4.99 116.66 106.26 1nvj n ARG 73 Ca -0.01 0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.96 1nvj n ARG 73 Cb 0.46 -1.57 -0.13 0.00 -1.02 0.00 0.00 32.46 30.20 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 -2.63 0.48 -0.83 -1.55 0.51 -0.36 -5.09 118.94 109.46 1nvj s TRP 74 Ca -0.09 -0.30 -0.25 0.00 -2.12 0.00 0.00 56.10 53.34 1nvj s TRP 74 Cb 0.07 -0.30 0.02 0.00 -0.81 0.00 0.00 33.47 32.45 1nvj s TRP 74 CO 0.84 -0.06 1.50 -1.25 -0.51 0.00 0.00 176.95 177.47 1nvj s PRO 75 N -0.88 3.16 0.17 4.98 0.04 -1.26 -4.38 135.00 136.83 1nvj s PRO 75 Ca -0.05 -0.42 0.05 0.00 0.04 0.00 0.00 61.00 60.62 1nvj s PRO 75 Cb -0.06 -4.71 -0.04 0.00 0.04 0.00 0.00 34.50 29.73 1nvj s PRO 75 CO -0.00 -2.41 0.14 -0.51 0.04 0.00 0.00 177.00 174.27 1nvj s LEU 76 N 6.51 3.81 0.00 -3.56 1.43 -1.26 -4.47 118.68 121.14 1nvj s LEU 76 Ca 0.48 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1nvj s LEU 76 Cb -0.06 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.75 1nvj s LEU 76 CO 0.06 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.30 1nvj n GLY 77 N -0.43 0.66 3.77 -3.19 0.00 -0.29 -4.75 105.19 100.95 1nvj n GLY 77 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 3.51 3.31 -0.03 1.61 0.52 -1.26 -4.54 118.95 122.06 1nvj s ARG 78 Ca 0.00 1.73 -0.03 0.00 -0.52 0.00 0.00 55.73 56.91 1nvj s ARG 78 Cb 0.00 -2.06 0.01 0.00 0.52 0.00 0.00 34.95 33.42 1nvj s ARG 78 CO 0.00 -0.91 0.09 0.08 0.02 0.00 0.00 175.30 174.57 1nvj s VAL 79 N -1.66 -0.00 -0.09 3.52 1.01 -0.92 -2.34 120.40 119.92 1nvj s VAL 79 Ca 0.73 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.73 1nvj s VAL 79 Cb -0.27 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.00 1nvj s VAL 79 CO 0.31 0.01 -0.10 -0.89 0.00 0.00 0.00 175.10 174.42 1nvj s THR 80 N 0.13 1.10 -0.12 3.92 2.01 -0.30 -0.61 115.64 121.77 1nvj s THR 80 Ca -0.01 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1nvj s THR 80 Cb -0.02 -1.05 0.02 0.00 0.01 0.00 0.00 72.50 71.46 1nvj s THR 80 CO -0.00 0.36 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.45 1nvj s VAL 81 N 1.08 1.48 -0.04 3.82 1.01 0.24 0.05 120.40 128.04 1nvj s VAL 81 Ca -0.07 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1nvj s VAL 81 Cb -0.14 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1nvj s VAL 81 CO -0.01 0.44 -0.14 -0.63 0.00 0.00 0.00 175.10 174.76 1nvj s ILE 82 N 1.19 1.16 -0.02 2.22 1.01 -0.23 -1.81 121.20 124.71 1nvj s ILE 82 Ca -0.02 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1nvj s ILE 82 Cb -0.14 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.32 1nvj s ILE 82 CO -0.05 0.35 -0.06 -2.28 0.00 0.00 0.00 174.94 172.89 1nvj s HIS 83 N 0.19 0.72 0.30 3.97 2.46 -0.68 -1.04 115.29 121.21 1nvj s HIS 83 Ca -0.05 -0.17 -0.07 0.00 0.47 0.00 0.00 55.06 55.24 1nvj s HIS 83 Cb -0.11 -0.55 -0.06 0.00 -0.13 0.00 0.00 32.58 31.73 1nvj s HIS 83 CO 0.02 -0.10 0.61 1.03 -2.47 0.00 0.00 174.74 173.83 1nvj s ARG 84 N 0.32 3.71 0.44 2.88 0.52 0.36 -2.72 118.95 124.46 1nvj s ARG 84 Ca -0.04 0.18 0.04 0.00 -0.52 0.00 0.00 55.73 55.39 1nvj s ARG 84 Cb -0.08 -2.58 -0.02 0.00 0.52 0.00 0.00 34.95 32.79 1nvj s ARG 84 CO 0.00 0.18 0.13 0.96 0.02 0.00 0.00 175.30 176.59 1nvj s ILE 85 N -2.09 0.57 0.00 1.52 -4.36 -0.96 -4.86 121.20 111.02 1nvj s ILE 85 Ca 0.47 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.86 1nvj s ILE 85 Cb -0.11 -2.25 0.00 0.00 1.25 0.00 0.00 42.46 41.35 1nvj s ILE 85 CO 0.28 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.07 1nvj n GLY 86 N -1.00 -1.70 3.73 6.27 0.00 -0.24 -3.97 105.19 108.27 1nvj n GLY 86 Ca -0.08 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 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 4.36 -0.06 1.61 2.12 -1.26 -1.88 118.70 123.59 1nvj s GLU 87 Ca 0.00 2.04 -0.07 0.00 0.36 0.00 0.00 54.97 57.30 1nvj s GLU 87 Cb 0.00 -3.23 0.02 0.00 0.26 0.00 0.00 34.13 31.18 1nvj s GLU 87 CO 0.00 -0.34 0.20 -0.51 -0.54 0.00 0.00 175.26 174.07 1nvj s LEU 88 N 0.53 1.26 0.21 2.70 1.43 -0.09 -5.00 118.68 119.72 1nvj s LEU 88 Ca 0.60 0.32 0.10 0.00 -1.03 0.00 0.00 54.13 54.13 1nvj s LEU 88 Cb -0.36 0.70 -0.05 0.00 0.03 0.00 0.00 46.19 46.52 1nvj s LEU 88 CO 0.34 -0.12 -0.20 0.26 0.23 0.00 0.00 176.35 176.86 1nvj s TRP 89 N -0.12 2.06 0.10 0.29 0.52 -1.26 -2.25 118.94 118.28 1nvj s TRP 89 Ca -0.02 -0.42 -0.35 0.00 0.02 0.00 0.00 56.10 55.33 1nvj s TRP 89 Cb -0.02 -0.97 -0.18 0.00 -1.15 0.00 0.00 33.47 31.15 1nvj s TRP 89 CO 0.01 0.48 0.99 -0.35 0.02 0.00 0.00 176.95 178.10 1nvj n PRO 90 N -0.06 0.44 -0.34 4.98 -0.04 -1.26 -1.43 135.00 137.29 1nvj n PRO 90 Ca -0.10 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1nvj n PRO 90 Cb 0.58 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1nvj n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nvj n GLY 91 N 1.84 1.55 3.74 0.55 0.00 -1.10 -4.98 105.19 106.78 1nvj n GLY 91 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.24 7.00 -0.29 1.61 1.01 -0.52 -4.82 116.67 117.43 1nvj s ASP 92 Ca 0.00 2.29 -0.26 0.00 0.71 0.00 0.00 52.55 55.29 1nvj s ASP 92 Cb 0.00 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.33 1nvj s ASP 92 CO 0.00 -0.45 0.94 -1.61 0.21 0.00 0.00 175.17 174.26 1nvj s GLU 93 N -0.10 4.07 -0.06 8.23 2.02 -1.26 -1.49 118.70 130.11 1nvj s GLU 93 Ca 0.55 0.93 0.10 0.00 0.02 0.00 0.00 54.97 56.57 1nvj s GLU 93 Cb -0.34 -3.71 -0.15 0.00 0.10 0.00 0.00 34.13 30.03 1nvj s GLU 93 CO 0.37 -0.73 0.14 0.44 0.02 0.00 0.00 175.26 175.50 1nvj n ILE 94 N 5.59 0.34 -4.03 -1.63 -5.35 0.07 -4.78 119.36 109.57 1nvj n ILE 94 Ca 0.08 -0.34 -0.16 0.00 -0.27 0.00 0.00 62.75 62.07 1nvj n ILE 94 Cb 0.47 -0.22 -0.15 0.00 -1.74 0.00 0.00 39.64 38.00 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 -2.51 0.26 -0.09 7.28 0.11 -1.08 -0.48 120.40 123.88 1nvj s VAL 95 Ca -0.05 -0.08 0.01 0.00 -2.93 0.00 0.00 61.98 58.94 1nvj s VAL 95 Cb 0.05 -0.27 0.02 0.00 -1.53 0.00 0.00 36.38 34.65 1nvj s VAL 95 CO 0.44 0.11 -0.10 0.12 -3.33 0.00 0.00 175.10 172.34 1nvj s PHE 96 N 0.33 1.49 -0.12 1.54 5.36 -0.21 -0.86 117.98 125.52 1nvj s PHE 96 Ca -0.03 -0.67 0.02 0.00 -0.96 0.00 0.00 56.93 55.29 1nvj s PHE 96 Cb -0.06 -1.17 0.01 0.00 -0.34 0.00 0.00 43.02 41.46 1nvj s PHE 96 CO -0.01 -0.42 -0.17 0.08 -1.46 0.00 0.00 175.22 173.25 1nvj s VAL 97 N 1.24 1.66 -0.12 3.12 1.01 -0.19 -1.07 120.40 126.04 1nvj s VAL 97 Ca -0.04 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1nvj s VAL 97 Cb -0.14 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1nvj s VAL 97 CO -0.03 0.47 -0.17 -0.83 0.00 0.00 0.00 175.10 174.54 1nvj s GLY 98 N 0.95 1.13 -0.01 4.51 0.00 0.11 -0.83 107.32 113.18 1nvj s GLY 98 Ca -0.06 -0.85 0.04 0.00 0.00 0.00 0.00 44.72 43.85 1nvj s GLY 98 CO -0.02 0.22 -0.12 0.14 0.00 0.00 0.00 173.10 173.31 1nvj s VAL 99 N 1.03 0.98 0.21 1.40 1.01 -0.17 -1.15 120.40 123.71 1nvj s VAL 99 Ca -0.05 -0.55 0.10 0.00 0.00 0.00 0.00 61.98 61.48 1nvj s VAL 99 Cb -0.15 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1nvj s VAL 99 CO -0.03 0.26 -0.20 0.42 0.00 0.00 0.00 175.10 175.55 1nvj s THR 100 N -0.32 2.14 0.24 3.92 -4.23 -0.99 -0.41 115.64 115.99 1nvj s THR 100 Ca 0.05 -2.12 -0.22 0.00 -1.18 0.00 0.00 61.69 58.21 1nvj s THR 100 Cb -0.05 -2.07 0.04 0.00 1.34 0.00 0.00 72.50 71.76 1nvj s THR 100 CO -0.00 -0.32 0.82 -0.55 -0.54 0.00 0.00 174.62 174.03 1nvj s SER 101 N -2.98 -0.20 0.06 3.99 0.15 -0.28 -1.13 113.70 113.31 1nvj s SER 101 Ca 0.22 -0.58 0.28 0.00 0.70 0.00 0.00 55.95 56.57 1nvj s SER 101 Cb -0.06 0.65 1.11 0.00 -1.71 0.00 0.00 66.02 66.01 1nvj s SER 101 CO 0.10 -1.20 1.88 0.00 1.20 0.00 0.00 173.24 175.21 1nvj n ALA 102 N -0.48 2.29 -3.59 5.45 0.00 -1.25 -0.26 120.51 122.68 1nvj n ALA 102 Ca -0.05 -0.08 -0.28 0.00 0.00 0.00 0.00 53.44 53.03 1nvj n ALA 102 Cb 0.60 -1.46 -0.17 0.00 0.00 0.00 0.00 19.45 18.42 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 -3.03 1.92 0.13 0.00 3.76 -1.26 -4.56 115.29 112.25 1nvj s HIS 103 Ca 0.13 -0.87 -0.22 0.00 -0.15 0.00 0.00 55.06 53.95 1nvj s HIS 103 Cb 0.17 -1.38 -0.02 0.00 1.11 0.00 0.00 32.58 32.46 1nvj s HIS 103 CO 0.54 -0.44 1.67 -0.09 -0.85 0.00 0.00 174.74 175.57 1nvj h ARG 104 N 7.30 -0.17 -0.16 1.40 2.43 -1.93 -2.42 114.38 120.83 1nvj h ARG 104 Ca -0.30 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.83 1nvj h ARG 104 Cb 1.18 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1nvj h ARG 104 CO 0.48 -0.11 -0.11 0.66 -1.51 0.00 0.00 179.97 179.38 1nvj h SER 105 N -0.18 0.23 -0.19 -3.80 4.64 -1.99 -1.22 113.55 111.05 1nvj h SER 105 Ca 0.09 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1nvj h SER 105 Cb 0.31 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1nvj h SER 105 CO -0.24 0.38 0.09 0.28 -0.87 0.00 0.00 176.83 176.47 1nvj h SER 106 N 0.24 0.26 -0.33 4.97 0.02 -1.84 -0.47 113.55 116.39 1nvj h SER 106 Ca 0.05 -0.13 -0.14 0.00 -0.84 0.00 0.00 61.79 60.72 1nvj h SER 106 Cb 0.36 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1nvj h SER 106 CO 0.02 0.32 -0.36 0.00 -1.14 0.00 0.00 176.83 175.67 1nvj h ALA 107 N 0.95 0.49 -0.32 3.77 0.00 -1.12 -1.67 119.26 121.35 1nvj h ALA 107 Ca 0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1nvj h ALA 107 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1nvj h ALA 107 CO -0.01 0.57 0.13 0.74 0.00 0.00 0.00 179.25 180.68 1nvj h PHE 108 N 0.61 0.49 -0.48 0.00 -1.00 -1.19 -0.82 116.94 114.53 1nvj h PHE 108 Ca 0.05 -0.04 -0.07 0.00 2.81 0.00 0.00 57.97 60.72 1nvj h PHE 108 Cb 0.95 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.34 1nvj h PHE 108 CO 0.07 0.47 0.04 0.93 -1.61 0.00 0.00 178.31 178.21 1nvj h GLU 109 N 0.36 0.83 -0.65 1.51 5.08 -1.08 -1.79 114.58 118.84 1nvj h GLU 109 Ca 0.11 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 1nvj h GLU 109 Cb 0.19 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1nvj h GLU 109 CO -0.01 0.85 0.07 0.00 -1.00 0.00 0.00 179.01 178.92 1nvj h ALA 110 N 0.95 0.90 -0.63 3.43 0.00 -1.28 -1.22 119.26 121.40 1nvj h ALA 110 Ca 0.14 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1nvj h ALA 110 Cb 0.45 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1nvj h ALA 110 CO 0.02 0.67 0.41 0.78 0.00 0.00 0.00 179.25 181.13 1nvj h GLY 111 N 1.03 0.89 1.85 0.00 0.00 -0.97 -0.99 103.07 104.87 1nvj h GLY 111 Ca 0.19 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 1nvj h GLY 111 CO 0.02 0.31 -0.37 1.46 0.00 0.00 0.00 176.54 177.97 1nvj h GLN 112 N 0.84 0.17 -0.08 4.80 4.20 -1.00 -1.94 115.11 122.11 1nvj h GLN 112 Ca 0.23 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.67 1nvj h GLN 112 Cb -0.08 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.70 1nvj h GLN 112 CO -0.06 0.52 -0.72 0.35 -0.67 0.00 0.00 178.83 178.26 1nvj h PHE 113 N 0.15 0.87 -0.29 2.96 3.57 -0.82 -1.08 116.94 122.30 1nvj h PHE 113 Ca 0.02 -0.42 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 1nvj h PHE 113 Cb 0.72 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1nvj h PHE 113 CO 0.01 1.24 0.07 0.82 -2.23 0.00 0.00 178.31 178.22 1nvj h ILE 114 N 0.26 1.21 -0.27 1.41 2.04 -1.05 -2.58 117.51 118.54 1nvj h ILE 114 Ca -0.07 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1nvj h ILE 114 Cb 1.37 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1nvj h ILE 114 CO 0.15 0.23 0.15 0.24 0.00 0.00 0.00 178.15 178.92 1nvj h MET 115 N 0.31 0.37 -0.50 2.37 2.86 -1.33 -1.39 114.93 117.62 1nvj h MET 115 Ca 0.09 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.76 1nvj h MET 115 Cb 0.28 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.81 1nvj h MET 115 CO 0.00 0.32 0.18 -0.44 1.06 0.00 0.00 176.91 178.04 1nvj h ASP 116 N 0.32 0.19 1.12 1.22 3.32 -1.14 -0.54 116.42 120.92 1nvj h ASP 116 Ca 0.10 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1nvj h ASP 116 Cb 0.06 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1nvj h ASP 116 CO -0.02 0.14 -0.10 1.88 -1.72 0.00 0.00 179.24 179.42 1nvj h TYR 117 N 0.36 0.00 0.00 4.55 -1.99 -1.36 -2.41 116.97 116.12 1nvj h TYR 117 Ca 0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.97 1nvj h TYR 117 Cb 0.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.97 1nvj h TYR 117 CO -0.16 0.10 -0.43 1.25 -0.00 0.00 0.00 178.16 178.92 1nvj h LEU 118 N 0.00 0.00 0.00 3.88 5.85 -0.18 -1.89 115.31 122.98 1nvj h LEU 118 Ca -0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1nvj h LEU 118 Cb 0.69 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1nvj h LEU 118 CO 0.01 0.04 -1.40 0.29 -0.34 0.00 0.00 178.44 177.05 1nvj n LYS 119 N -2.41 0.80 -0.00 1.25 4.76 -0.31 -4.24 118.16 118.01 1nvj n LYS 119 Ca 0.03 -0.09 0.01 0.00 -2.87 0.00 0.00 58.31 55.39 1nvj n LYS 119 Cb 0.47 -1.40 -0.02 0.00 -1.84 0.00 0.00 35.03 32.25 1nvj n LYS 119 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1nvj n THR 120 N -1.82 0.02 0.00 -0.18 -2.24 -0.93 -4.89 114.28 104.24 1nvj n THR 120 Ca -0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1nvj n THR 120 Cb 0.39 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.65 2.76 -2.16 -0.78 1.74 -0.76 -5.07 116.66 110.74 1nvj n ARG 121 Ca -0.01 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1nvj n ARG 121 Cb 0.14 -0.90 0.01 0.00 -1.02 0.00 0.00 32.46 30.69 1nvj n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nvj s ALA 122 N -1.77 2.65 -1.23 7.54 0.00 -0.89 -4.90 121.76 123.17 1nvj s ALA 122 Ca 0.00 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 52.74 1nvj s ALA 122 Cb 0.00 -3.40 0.17 0.00 0.00 0.00 0.00 23.12 19.89 1nvj s ALA 122 CO 0.00 -0.93 1.53 -0.35 0.00 0.00 0.00 175.76 176.01 1nvj n PRO 123 N -1.38 3.41 -4.60 0.00 -0.04 -1.26 -4.87 135.00 126.27 1nvj n PRO 123 Ca 0.12 -3.78 -0.27 0.00 -0.04 0.00 0.00 63.50 59.54 1nvj n PRO 123 Cb 0.50 -3.03 -0.14 0.00 -0.04 0.00 0.00 33.50 30.80 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 1.38 1.97 0.20 0.54 0.40 -1.26 -3.71 117.98 117.51 1nvj s PHE 124 Ca 0.42 -0.39 -0.15 0.00 -0.60 0.00 0.00 56.93 56.21 1nvj s PHE 124 Cb -0.00 -1.14 0.01 0.00 0.51 0.00 0.00 43.02 42.40 1nvj s PHE 124 CO 0.00 0.15 0.47 1.67 0.70 0.00 0.00 175.22 178.22 1nvj s TRP 125 N -0.90 0.08 0.14 0.36 -2.14 -0.88 -4.99 118.94 110.61 1nvj s TRP 125 Ca 0.09 -0.43 -0.25 0.00 2.66 0.00 0.00 56.10 58.16 1nvj s TRP 125 Cb -0.09 0.28 -0.07 0.00 -3.10 0.00 0.00 33.47 30.48 1nvj s TRP 125 CO 0.03 -0.91 0.77 0.15 -2.66 0.00 0.00 176.95 174.33 1nvj s LYS 126 N -3.92 4.54 0.00 3.25 1.02 -1.26 -1.26 119.74 122.11 1nvj s LYS 126 Ca 0.13 1.13 0.14 0.00 0.02 0.00 0.00 55.97 57.39 1nvj s LYS 126 Cb -0.00 -3.28 0.81 0.00 -0.52 0.00 0.00 37.83 34.84 1nvj s LYS 126 CO 0.00 0.51 1.24 -2.13 -0.92 0.00 0.00 175.35 174.05