#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3njh s GLN 5 N 0.00 0.53 0.00 -0.52 0.00 -1.26 -5.16 119.66 113.25 3njh s GLN 5 Ca 0.00 -0.97 0.00 0.00 -0.00 0.00 0.00 55.36 54.39 3njh s GLN 5 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 33.01 33.06 3njh s GLN 5 CO 0.00 -0.05 0.00 0.41 0.00 0.00 0.00 175.29 175.65 3njh n GLY 6 N 0.77 2.31 3.57 2.60 0.00 -1.26 -5.00 105.19 108.19 3njh n GLY 6 Ca -0.18 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 3njh n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3njh s LEU 7 N 0.00 3.13 -0.30 0.99 1.02 -1.22 -4.97 118.68 117.33 3njh s LEU 7 Ca 0.00 -0.04 -0.08 0.00 0.02 0.00 0.00 54.13 54.03 3njh s LEU 7 Cb 0.00 -1.68 0.00 0.00 0.02 0.00 0.00 46.19 44.53 3njh s LEU 7 CO 0.00 0.36 0.11 0.00 0.02 0.00 0.00 176.35 176.84 3njh s ALA 8 N -0.79 3.15 0.07 4.21 0.00 -1.26 -1.76 121.76 125.38 3njh s ALA 8 Ca 0.12 -1.44 0.03 0.00 0.00 0.00 0.00 51.96 50.67 3njh s ALA 8 Cb -0.11 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 3njh s ALA 8 CO 0.01 -0.93 0.07 -0.65 0.00 0.00 0.00 175.76 174.26 3njh s GLN 9 N 1.54 2.87 -0.06 0.00 -0.21 -0.73 -5.02 119.66 118.04 3njh s GLN 9 Ca 0.03 -0.69 0.04 0.00 0.02 0.00 0.00 55.36 54.76 3njh s GLN 9 Cb -0.17 -2.72 0.00 0.00 1.00 0.00 0.00 33.01 31.12 3njh s GLN 9 CO 0.04 0.57 -0.17 -0.06 -2.12 0.00 0.00 175.29 173.55 3njh s PHE 10 N -1.36 1.83 -0.04 0.91 0.08 -1.26 -1.31 117.98 116.83 3njh s PHE 10 Ca 0.28 -0.64 0.00 0.00 0.12 0.00 0.00 56.93 56.70 3njh s PHE 10 Cb -0.12 -1.26 0.03 0.00 -0.57 0.00 0.00 43.02 41.09 3njh s PHE 10 CO 0.21 -0.26 -0.02 0.42 -0.10 0.00 0.00 175.22 175.47 3njh s ILE 11 N 0.32 0.35 -0.11 0.64 1.01 0.11 -3.87 121.20 119.65 3njh s ILE 11 Ca -0.11 0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.37 3njh s ILE 11 Cb -0.15 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 3njh s ILE 11 CO 0.04 0.20 0.52 -0.75 0.00 0.00 0.00 174.94 174.95 3njh s LYS 12 N 1.18 4.36 -0.49 2.79 2.20 0.14 -1.74 119.74 128.18 3njh s LYS 12 Ca -0.07 0.54 -0.16 0.00 -0.36 0.00 0.00 55.97 55.91 3njh s LYS 12 Cb -0.14 -3.44 0.08 0.00 -1.51 0.00 0.00 37.83 32.82 3njh s LYS 12 CO -0.02 0.13 0.45 0.08 -0.36 0.00 0.00 175.35 175.64 3njh s VAL 13 N 0.68 5.17 -0.25 4.02 1.01 -0.20 -0.65 120.40 130.18 3njh s VAL 13 Ca 0.28 -1.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 3njh s VAL 13 Cb -0.16 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 3njh s VAL 13 CO 0.12 -0.67 0.22 0.20 0.00 0.00 0.00 175.10 174.97 3njh s ASN 14 N 2.79 6.15 -0.11 3.32 0.01 -0.78 -0.13 114.94 126.20 3njh s ASN 14 Ca 0.05 0.15 0.04 0.00 -0.71 0.00 0.00 52.86 52.39 3njh s ASN 14 Cb -0.24 -2.14 0.00 0.00 0.41 0.00 0.00 41.25 39.28 3njh s ASN 14 CO 0.07 -0.01 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.73 3njh s VAL 15 N 1.36 2.02 0.34 1.60 1.01 -0.77 -0.36 120.40 125.61 3njh s VAL 15 Ca 0.10 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.18 3njh s VAL 15 Cb -0.14 -1.75 -0.06 0.00 0.00 0.00 0.00 36.38 34.42 3njh s VAL 15 CO 0.07 0.55 -0.02 0.42 0.00 0.00 0.00 175.10 176.12 3njh s THR 16 N 0.47 2.49 -0.21 3.92 -4.23 0.35 -1.24 115.64 117.18 3njh s THR 16 Ca -0.16 -2.04 -0.09 0.00 -1.18 0.00 0.00 61.69 58.23 3njh s THR 16 Cb -0.17 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 3njh s THR 16 CO 0.06 -0.19 0.10 -0.76 -0.54 0.00 0.00 174.62 173.29 3njh s LEU 17 N -3.69 3.88 -0.06 4.79 1.43 -1.26 -0.68 118.68 123.09 3njh s LEU 17 Ca 0.34 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.54 3njh s LEU 17 Cb 0.01 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.22 3njh s LEU 17 CO 0.19 0.11 -0.19 -1.61 0.23 0.00 0.00 176.35 175.07 3njh s GLU 18 N 0.79 2.17 -1.28 1.70 0.41 0.04 -4.74 118.70 117.79 3njh s GLU 18 Ca 0.05 -0.67 -0.17 0.00 -0.41 0.00 0.00 54.97 53.77 3njh s GLU 18 Cb -0.13 -1.78 0.02 0.00 -1.78 0.00 0.00 34.13 30.46 3njh s GLU 18 CO 0.02 0.20 0.32 -1.71 -0.49 0.00 0.00 175.26 173.60 3njh n ASN 19 N 3.37 -1.51 0.00 -0.19 5.15 -1.26 -1.32 115.26 119.50 3njh n ASN 19 Ca -0.19 -1.21 0.00 0.00 -0.60 0.00 0.00 54.58 52.58 3njh n ASN 19 Cb 0.53 -1.47 0.00 0.00 -0.53 0.00 0.00 39.78 38.30 3njh n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3njh n GLY 20 N -2.25 1.13 3.29 8.20 0.00 -1.26 -4.98 105.19 109.32 3njh n GLY 20 Ca -0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 3njh n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3njh s GLU 21 N -0.22 1.18 0.30 1.61 0.41 -0.43 -5.04 118.70 116.51 3njh s GLU 21 Ca 0.00 -1.51 -0.28 0.00 -0.41 0.00 0.00 54.97 52.77 3njh s GLU 21 Cb 0.00 -0.86 -0.09 0.00 -1.78 0.00 0.00 34.13 31.40 3njh s GLU 21 CO 0.00 0.13 1.02 -1.25 -0.49 0.00 0.00 175.26 174.67 3njh s PRO 22 N -3.66 4.60 -0.08 0.39 0.04 -1.26 -0.78 135.00 134.24 3njh s PRO 22 Ca 0.19 1.58 0.04 0.00 0.04 0.00 0.00 61.00 62.84 3njh s PRO 22 Cb 0.01 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.53 3njh s PRO 22 CO 0.03 0.24 -0.20 0.08 0.04 0.00 0.00 177.00 177.19 3njh s VAL 23 N -1.34 1.74 -0.16 -0.36 1.01 0.14 -4.87 120.40 116.55 3njh s VAL 23 Ca 0.47 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 3njh s VAL 23 Cb -0.26 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3njh s VAL 23 CO 0.33 0.49 0.11 -0.36 0.00 0.00 0.00 175.10 175.67 3njh s PHE 24 N 0.33 3.42 -0.05 5.22 0.08 -1.26 -0.50 117.98 125.22 3njh s PHE 24 Ca -0.14 0.33 -0.00 0.00 0.12 0.00 0.00 56.93 57.24 3njh s PHE 24 Cb -0.16 -2.04 0.03 0.00 -0.57 0.00 0.00 43.02 40.27 3njh s PHE 24 CO 0.06 0.43 -0.00 0.42 -0.10 0.00 0.00 175.22 176.02 3njh s ILE 25 N -0.20 0.31 -0.20 0.64 1.01 0.51 -4.99 121.20 118.29 3njh s ILE 25 Ca 0.10 0.08 -0.14 0.00 0.00 0.00 0.00 60.65 60.68 3njh s ILE 25 Cb -0.12 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 3njh s ILE 25 CO 0.01 0.21 0.33 -0.31 0.00 0.00 0.00 174.94 175.18 3njh s TYR 26 N 1.46 3.38 0.16 3.97 2.02 -1.26 -1.87 117.35 125.22 3njh s TYR 26 Ca -0.03 0.55 0.10 0.00 -0.37 0.00 0.00 57.07 57.32 3njh s TYR 26 Cb -0.13 -2.44 -0.04 0.00 -0.40 0.00 0.00 41.96 38.95 3njh s TYR 26 CO -0.03 0.06 -0.20 0.95 -1.57 0.00 0.00 175.55 174.77 3njh s THR 27 N 1.07 2.66 0.30 -0.71 -4.23 0.17 -0.62 115.64 114.27 3njh s THR 27 Ca 0.17 -1.78 -0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3njh s THR 27 Cb -0.14 -2.26 0.06 0.00 1.34 0.00 0.00 72.50 71.50 3njh s THR 27 CO 0.06 -0.04 0.41 -0.90 -0.54 0.00 0.00 174.62 173.62 3njh n ASP 28 N 0.43 0.56 0.02 3.99 5.68 -0.17 0.26 116.55 127.31 3njh n ASP 28 Ca -0.14 -1.47 0.10 0.00 -0.50 0.00 0.00 54.79 52.78 3njh n ASP 28 Cb 0.55 -0.27 0.41 0.00 -1.14 0.00 0.00 41.12 40.68 3njh n ASP 28 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3njh n ALA 29 N -2.96 1.87 1.36 2.12 0.00 -1.25 -0.87 120.51 120.77 3njh n ALA 29 Ca -0.07 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.44 3njh n ALA 29 Cb 0.24 -1.32 0.45 0.00 0.00 0.00 0.00 19.45 18.82 3njh n ALA 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3njh n ASN 30 N -1.60 1.58 -0.02 0.00 3.02 -1.26 -4.95 115.26 112.02 3njh n ASN 30 Ca 0.04 -1.60 -0.00 0.00 -0.03 0.00 0.00 54.58 52.99 3njh n ASN 30 Cb 0.23 -0.05 -0.00 0.00 -0.61 0.00 0.00 39.78 39.35 3njh n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3njh n GLY 31 N 1.15 0.38 3.87 7.41 0.00 -0.05 -5.03 105.19 112.92 3njh n GLY 31 Ca 0.18 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3njh n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3njh s GLN 32 N -0.68 3.75 0.40 1.61 -0.21 -1.26 -4.77 119.66 118.50 3njh s GLN 32 Ca 0.00 0.16 -0.26 0.00 0.02 0.00 0.00 55.36 55.28 3njh s GLN 32 Cb 0.00 -2.94 -0.09 0.00 1.00 0.00 0.00 33.01 30.98 3njh s GLN 32 CO 0.00 0.52 1.25 0.08 -2.12 0.00 0.00 175.29 175.02 3njh s VAL 33 N -1.48 2.84 -0.15 1.09 1.01 -1.26 -1.00 120.40 121.45 3njh s VAL 33 Ca 0.36 0.74 -0.04 0.00 0.00 0.00 0.00 61.98 63.04 3njh s VAL 33 Cb -0.13 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 32.88 3njh s VAL 33 CO 0.19 0.10 0.15 0.00 0.00 0.00 0.00 175.10 175.54 3njh s GLN 35 N 2.25 0.73 0.00 0.00 -2.07 -1.26 -4.50 119.66 114.81 3njh s GLN 35 Ca 0.04 -0.84 0.00 0.00 -1.82 0.00 0.00 55.36 52.74 3njh s GLN 35 Cb -0.14 -0.67 0.00 0.00 -1.09 0.00 0.00 33.01 31.11 3njh s GLN 35 CO -0.09 0.15 0.00 0.41 -1.32 0.00 0.00 175.29 174.44 3njh n GLY 36 N 1.48 1.88 3.64 2.60 0.00 -1.26 -5.08 105.19 108.45 3njh n GLY 36 Ca -0.21 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.37 3njh n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3njh n ALA 37 N 0.81 0.50 -2.80 4.61 0.00 -1.26 -4.81 120.51 117.57 3njh n ALA 37 Ca 0.00 0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.18 3njh n ALA 37 Cb 0.00 -2.16 -0.08 0.00 0.00 0.00 0.00 19.45 17.21 3njh n ALA 37 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3njh s ILE 38 N -1.40 5.09 -0.20 0.00 1.01 -0.46 -4.99 121.20 120.25 3njh s ILE 38 Ca 0.71 0.06 -0.09 0.00 0.00 0.00 0.00 60.65 61.34 3njh s ILE 38 Cb -0.45 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 3njh s ILE 38 CO 0.50 0.51 0.11 -0.89 0.00 0.00 0.00 174.94 175.18 3njh s THR 39 N -0.12 5.21 -0.20 2.92 2.01 -1.26 -0.53 115.64 123.67 3njh s THR 39 Ca 0.08 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.14 3njh s THR 39 Cb -0.12 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 3njh s THR 39 CO 0.01 0.43 0.04 -0.69 -0.69 0.00 0.00 174.62 173.72 3njh s VAL 40 N 0.45 4.43 -0.23 3.82 1.01 0.60 -4.95 120.40 125.52 3njh s VAL 40 Ca 0.06 -0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 3njh s VAL 40 Cb -0.12 -3.01 -0.10 0.00 0.00 0.00 0.00 36.38 33.15 3njh s VAL 40 CO -0.01 0.43 -0.28 0.41 0.00 0.00 0.00 175.10 175.65 3njh n THR 41 N 3.97 1.51 -3.99 3.92 -1.04 -1.26 -4.26 114.28 113.13 3njh n THR 41 Ca -0.17 -0.15 -0.26 0.00 -2.04 0.00 0.00 64.05 61.43 3njh n THR 41 Cb 0.52 -2.07 -0.03 0.00 -1.82 0.00 0.00 70.33 66.94 3njh n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3njh s GLN 42 N -2.59 2.27 0.60 -2.82 -2.07 -1.26 -5.00 119.66 108.79 3njh s GLN 42 Ca -0.33 -2.00 -0.18 0.00 -1.82 0.00 0.00 55.36 51.03 3njh s GLN 42 Cb 0.10 -2.04 -0.03 0.00 -1.09 0.00 0.00 33.01 29.95 3njh s GLN 42 CO 0.47 -0.48 1.15 0.00 -1.32 0.00 0.00 175.29 175.10 3njh s ALA 43 N -2.73 2.54 0.00 2.60 0.00 -1.26 -4.91 121.76 118.00 3njh s ALA 43 Ca 0.33 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.09 3njh s ALA 43 Cb -0.01 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3njh s ALA 43 CO 0.20 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.26 3njh n GLY 44 N 0.09 -1.22 3.34 0.00 0.00 -0.79 -3.42 105.19 103.18 3njh n GLY 44 Ca 0.12 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 3njh n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3njh s THR 45 N -3.00 1.90 -0.09 2.61 -4.23 -0.72 -1.18 115.64 110.93 3njh s THR 45 Ca 0.00 -1.88 -0.01 0.00 -1.18 0.00 0.00 61.69 58.62 3njh s THR 45 Cb 0.00 -1.85 0.03 0.00 1.34 0.00 0.00 72.50 72.02 3njh s THR 45 CO 0.00 -0.24 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.18 3njh s ILE 46 N -1.85 0.64 -0.21 2.99 1.01 -0.04 -1.77 121.20 121.96 3njh s ILE 46 Ca 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.71 3njh s ILE 46 Cb -0.07 -0.74 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 3njh s ILE 46 CO 0.07 0.30 -0.01 -0.89 0.00 0.00 0.00 174.94 174.41 3njh s THR 47 N 1.87 3.75 -0.17 2.92 2.01 -0.43 0.06 115.64 125.66 3njh s THR 47 Ca 0.05 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.65 3njh s THR 47 Cb -0.12 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.65 3njh s THR 47 CO -0.06 0.41 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.92 3njh s TYR 48 N 1.28 2.98 -0.23 4.92 2.02 0.02 0.04 117.35 128.38 3njh s TYR 48 Ca 0.04 -0.47 -0.05 0.00 -0.37 0.00 0.00 57.07 56.22 3njh s TYR 48 Cb -0.15 -1.98 -0.02 0.00 -0.40 0.00 0.00 41.96 39.42 3njh s TYR 48 CO 0.00 -0.17 0.00 -1.17 -1.57 0.00 0.00 175.55 172.65 3njh s LEU 49 N 0.60 3.14 -0.16 -1.29 2.96 -0.71 -1.83 118.68 121.39 3njh s LEU 49 Ca -0.03 -0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 53.29 3njh s LEU 49 Cb -0.15 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 3njh s LEU 49 CO 0.03 -0.01 1.39 -0.22 -1.32 0.00 0.00 176.35 176.21 3njh s LEU 50 N 1.43 4.14 -0.68 -0.68 2.96 0.29 -1.03 118.68 125.12 3njh s LEU 50 Ca 0.05 1.74 -0.07 0.00 -0.22 0.00 0.00 54.13 55.63 3njh s LEU 50 Cb -0.15 -3.54 0.18 0.00 0.50 0.00 0.00 46.19 43.18 3njh s LEU 50 CO 0.00 -0.89 0.54 0.21 -1.32 0.00 0.00 176.35 174.89 3njh s ASN 51 N 2.59 5.76 -0.40 3.68 2.47 0.82 -4.95 114.94 124.91 3njh s ASN 51 Ca 0.60 -2.73 -0.27 0.00 0.42 0.00 0.00 52.86 50.88 3njh s ASN 51 Cb -0.24 -1.98 0.02 0.00 -1.45 0.00 0.00 41.25 37.60 3njh s ASN 51 CO 0.20 -0.46 1.01 -0.62 -3.72 0.00 0.00 177.10 173.51 3njh s ASP 52 N 1.31 6.69 -0.20 -4.21 2.15 -1.26 -1.84 116.67 119.31 3njh s ASP 52 Ca 0.16 0.56 0.16 0.00 0.43 0.00 0.00 52.55 53.86 3njh s ASP 52 Cb -0.17 -2.50 0.51 0.00 -0.30 0.00 0.00 42.92 40.46 3njh s ASP 52 CO -0.05 -1.00 1.42 0.00 -0.17 0.00 0.00 175.17 175.37 3njh n GLN 53 N 7.14 2.63 0.02 4.34 1.13 -0.37 -4.76 117.38 127.51 3njh n GLN 53 Ca 0.09 -2.88 0.11 0.00 -1.94 0.00 0.00 57.00 52.38 3njh n GLN 53 Cb 0.48 -1.82 0.01 0.00 0.11 0.00 0.00 30.24 29.01 3njh n GLN 53 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3njh n THR 54 N -0.68 0.13 -1.89 5.09 -2.24 -1.25 -4.54 114.28 108.90 3njh n THR 54 Ca 0.23 -0.22 -0.18 0.00 -2.27 0.00 0.00 64.05 61.61 3njh n THR 54 Cb 0.91 0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 69.38 3njh n THR 54 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3njh n LEU 55 N -1.90 -1.56 -0.21 3.22 4.32 -1.26 -4.79 117.00 114.82 3njh n LEU 55 Ca 0.02 0.25 0.03 0.00 -0.02 0.00 0.00 56.01 56.29 3njh n LEU 55 Cb 0.43 -2.61 0.06 0.00 -1.62 0.00 0.00 43.42 39.68 3njh n LEU 55 CO 0.41 -0.63 0.55 0.29 -1.22 0.00 0.00 177.39 176.79 3njh n LYS 56 N -2.60 2.83 -3.68 3.23 4.76 -1.26 -4.96 118.16 116.48 3njh n LYS 56 Ca -0.20 -1.79 -0.26 0.00 -2.87 0.00 0.00 58.31 53.20 3njh n LYS 56 Cb 0.63 -1.14 0.07 0.00 -1.84 0.00 0.00 35.03 32.74 3njh n LYS 56 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3njh n GLY 57 N -0.30 -0.53 3.74 0.72 0.00 -1.26 -0.72 105.19 106.84 3njh n GLY 57 Ca 0.05 0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 3njh n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3njh s LEU 58 N -7.29 4.37 -0.02 0.99 1.43 -1.26 -3.78 118.68 113.12 3njh s LEU 58 Ca 0.60 2.76 0.01 0.00 -1.03 0.00 0.00 54.13 56.47 3njh s LEU 58 Cb -0.27 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.33 3njh s LEU 58 CO 0.76 -0.79 -0.04 -0.54 0.23 0.00 0.00 176.35 175.96 3njh s LYS 59 N -0.20 0.57 0.21 1.70 1.02 -0.83 -4.94 119.74 117.27 3njh s LYS 59 Ca 0.62 -0.13 -0.32 0.00 0.02 0.00 0.00 55.97 56.16 3njh s LYS 59 Cb -0.44 -0.60 -0.13 0.00 -0.52 0.00 0.00 37.83 36.14 3njh s LYS 59 CO 0.43 0.01 1.56 1.19 -0.92 0.00 0.00 175.35 177.63 3njh n PHE 60 N 3.52 2.42 0.03 3.18 3.72 0.69 -0.51 117.46 130.51 3njh n PHE 60 Ca -0.20 0.27 0.03 0.00 -0.05 0.00 0.00 57.45 57.50 3njh n PHE 60 Cb 0.54 -2.55 -0.04 0.00 -0.94 0.00 0.00 39.48 36.48 3njh n PHE 60 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3njh n VAL 61 N 2.94 0.00 -1.75 -4.37 0.24 -0.65 -4.48 118.33 110.27 3njh n VAL 61 Ca 0.14 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 3njh n VAL 61 Cb 0.32 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 3njh n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3njh n GLY 62 N 2.03 -1.42 3.11 7.63 0.00 -1.12 -5.03 105.19 110.39 3njh n GLY 62 Ca -0.01 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 3njh n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3njh s VAL 63 N -2.54 1.42 -0.10 1.61 1.01 -1.26 -1.95 120.40 118.60 3njh s VAL 63 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.31 3njh s VAL 63 Cb 0.00 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 3njh s VAL 63 CO 0.00 0.41 -0.12 -0.83 0.00 0.00 0.00 175.10 174.56 3njh s GLY 64 N 0.29 1.56 -0.05 4.51 0.00 0.45 -4.94 107.32 109.15 3njh s GLY 64 Ca -0.10 -0.91 0.05 0.00 0.00 0.00 0.00 44.72 43.76 3njh s GLY 64 CO 0.04 -0.42 -0.19 -1.36 0.00 0.00 0.00 173.10 171.16 3njh s PHE 65 N -0.13 1.87 0.33 1.90 0.08 -1.26 -0.63 117.98 120.14 3njh s PHE 65 Ca -0.01 -0.54 0.08 0.00 0.12 0.00 0.00 56.93 56.58 3njh s PHE 65 Cb -0.14 -1.25 0.60 0.00 -0.57 0.00 0.00 43.02 41.66 3njh s PHE 65 CO 0.03 -0.17 1.79 0.28 -0.10 0.00 0.00 175.22 177.05 3njh h VAL 66 N 5.20 1.25 -2.22 -0.44 2.07 -2.00 -3.35 116.25 116.76 3njh h VAL 66 Ca -0.32 -1.20 -0.59 0.00 0.82 0.00 0.00 66.70 65.41 3njh h VAL 66 Cb 1.17 1.47 -0.42 0.00 -1.52 0.00 0.00 31.29 32.00 3njh h VAL 66 CO 0.48 0.36 -0.67 0.35 0.02 0.00 0.00 177.57 178.11 3njh n THR 67 N -4.13 2.43 0.46 2.57 -2.24 -1.26 -4.94 114.28 107.16 3njh n THR 67 Ca -0.01 -5.31 0.09 0.00 -2.27 0.00 0.00 64.05 56.55 3njh n THR 67 Cb 0.39 -1.66 0.39 0.00 -2.10 0.00 0.00 70.33 67.35 3njh n THR 67 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3njh n PRO 68 N 0.32 0.08 -0.80 -0.78 -0.04 -1.26 -2.11 135.00 130.41 3njh n PRO 68 Ca 0.30 0.32 0.06 0.00 -0.04 0.00 0.00 63.50 64.14 3njh n PRO 68 Cb 0.42 -1.66 0.36 0.00 -0.04 0.00 0.00 33.50 32.58 3njh n PRO 68 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3njh n PHE 69 N -1.82 1.84 0.78 0.54 3.72 -1.26 -4.56 117.46 116.69 3njh n PHE 69 Ca 0.03 -0.82 0.10 0.00 -0.05 0.00 0.00 57.45 56.71 3njh n PHE 69 Cb 0.20 -0.48 0.46 0.00 -0.94 0.00 0.00 39.48 38.71 3njh n PHE 69 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3njh n ASP 70 N 0.25 0.00 -0.99 4.37 5.68 -0.90 -4.91 116.55 120.06 3njh n ASP 70 Ca 0.28 0.36 -0.12 0.00 -0.50 0.00 0.00 54.79 54.81 3njh n ASP 70 Cb 1.15 -0.44 -0.04 0.00 -1.14 0.00 0.00 41.12 40.64 3njh n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3njh n GLY 71 N 0.57 1.00 0.00 6.12 0.00 -1.26 -4.94 105.19 106.68 3njh n GLY 71 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3njh n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3njh n ILE 72 N -2.93 0.00 -2.58 -0.61 2.08 -1.26 -4.60 119.36 109.46 3njh n ILE 72 Ca -0.12 0.15 -0.41 0.00 0.56 0.00 0.00 62.75 62.93 3njh n ILE 72 Cb 0.43 -0.69 -0.04 0.00 -0.75 0.00 0.00 39.64 38.59 3njh n ILE 72 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3njh s ILE 73 N -0.30 4.03 -0.07 1.39 -1.09 -1.26 -4.71 121.20 119.18 3njh s ILE 73 Ca 0.00 1.76 0.18 0.00 -2.23 0.00 0.00 60.65 60.35 3njh s ILE 73 Cb 0.00 -4.12 -0.26 0.00 -1.58 0.00 0.00 42.46 36.49 3njh s ILE 73 CO 0.00 0.31 0.29 0.47 -1.23 0.00 0.00 174.94 174.78 3njh n ASP 74 N 2.38 0.75 -3.56 3.58 8.00 0.91 -4.94 116.55 123.66 3njh n ASP 74 Ca 0.02 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.37 3njh n ASP 74 Cb 0.47 1.54 -0.05 0.00 -0.02 0.00 0.00 41.12 43.06 3njh n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3njh s ALA 75 N -3.00 -1.44 -0.04 2.24 0.00 -1.14 -5.02 121.76 113.37 3njh s ALA 75 Ca -0.07 0.76 0.06 0.00 0.00 0.00 0.00 51.96 52.71 3njh s ALA 75 Cb 0.10 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 3njh s ALA 75 CO 0.75 -0.48 -0.23 0.08 0.00 0.00 0.00 175.76 175.88 3njh s VAL 76 N -2.18 2.32 0.06 0.00 1.01 -1.26 -1.38 120.40 118.96 3njh s VAL 76 Ca -0.07 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 60.98 3njh s VAL 76 Cb -0.01 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3njh s VAL 76 CO 0.01 0.58 -0.19 0.42 0.00 0.00 0.00 175.10 175.91 3njh s THR 77 N -0.55 1.54 -0.00 3.92 -4.23 -0.19 -4.97 115.64 111.16 3njh s THR 77 Ca 0.08 -1.24 0.03 0.00 -1.18 0.00 0.00 61.69 59.38 3njh s THR 77 Cb -0.11 -1.37 -0.01 0.00 1.34 0.00 0.00 72.50 72.35 3njh s THR 77 CO 0.00 0.09 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.45 3njh s ILE 78 N -0.90 0.73 0.53 2.99 1.01 -1.26 0.13 121.20 124.43 3njh s ILE 78 Ca 0.06 -0.42 -0.16 0.00 0.00 0.00 0.00 60.65 60.13 3njh s ILE 78 Cb -0.09 -0.62 -0.07 0.00 0.01 0.00 0.00 42.46 41.69 3njh s ILE 78 CO 0.02 0.19 1.00 -0.94 0.00 0.00 0.00 174.94 175.21 3njh s SER 79 N -0.27 6.51 0.51 3.58 1.04 -0.19 -4.95 113.70 119.94 3njh s SER 79 Ca 0.03 1.57 0.33 0.00 0.48 0.00 0.00 55.95 58.36 3njh s SER 79 Cb -0.04 -2.51 1.42 0.00 0.10 0.00 0.00 66.02 65.00 3njh s SER 79 CO -0.00 -0.67 1.98 0.77 0.98 0.00 0.00 173.24 176.30 3njh h SER 80 N 0.73 0.00 -0.63 7.02 4.64 -2.00 -2.28 113.55 121.05 3njh h SER 80 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3njh h SER 80 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3njh h SER 80 CO 0.61 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.67 3njh n ASP 81 N -2.94 3.41 0.00 4.97 5.68 -1.26 -4.95 116.55 121.45 3njh n ASP 81 Ca 0.00 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.27 3njh n ASP 81 Cb 0.26 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 3njh n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3njh n GLY 82 N 1.47 0.13 0.13 6.12 0.00 -0.86 -4.86 105.19 107.33 3njh n GLY 82 Ca 0.21 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 3njh n GLY 82 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3njh h MET 83 N 0.28 0.00 -5.24 1.61 2.86 -1.87 0.20 114.93 112.77 3njh h MET 83 Ca 0.00 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.06 3njh h MET 83 Cb 0.67 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 32.01 3njh h MET 83 CO 0.00 0.08 -0.84 -0.51 1.06 0.00 0.00 176.91 176.70 3njh s LEU 84 N -5.65 1.90 0.04 1.22 1.02 -1.26 -0.54 118.68 115.40 3njh s LEU 84 Ca 0.01 -0.39 0.07 0.00 0.02 0.00 0.00 54.13 53.84 3njh s LEU 84 Cb 0.08 -1.05 -0.02 0.00 0.02 0.00 0.00 46.19 45.22 3njh s LEU 84 CO 0.77 0.14 -0.20 0.68 0.02 0.00 0.00 176.35 177.76 3njh s VAL 85 N 0.18 1.59 -0.02 -1.59 -7.23 -0.76 -1.02 120.40 111.56 3njh s VAL 85 Ca -0.08 -1.15 0.06 0.00 -1.81 0.00 0.00 61.98 59.00 3njh s VAL 85 Cb -0.13 -1.39 -0.01 0.00 0.56 0.00 0.00 36.38 35.40 3njh s VAL 85 CO 0.04 0.19 -0.20 -1.10 -0.31 0.00 0.00 175.10 173.72 3njh s GLN 86 N -1.13 1.68 -0.21 4.82 -0.21 0.12 -0.80 119.66 123.92 3njh s GLN 86 Ca 0.07 -0.73 -0.11 0.00 0.02 0.00 0.00 55.36 54.61 3njh s GLN 86 Cb -0.09 -1.61 -0.05 0.00 1.00 0.00 0.00 33.01 32.27 3njh s GLN 86 CO 0.02 0.43 0.17 -0.51 -2.12 0.00 0.00 175.29 173.27 3njh s LEU 87 N -0.45 4.18 -0.13 2.90 1.43 0.11 -1.02 118.68 125.70 3njh s LEU 87 Ca 0.07 0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3njh s LEU 87 Cb -0.08 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 3njh s LEU 87 CO -0.01 0.12 -0.12 -0.69 0.23 0.00 0.00 176.35 175.88 3njh s VAL 88 N 0.66 3.14 -0.24 -1.59 1.01 -0.48 -0.86 120.40 122.03 3njh s VAL 88 Ca 0.09 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 3njh s VAL 88 Cb -0.12 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.95 3njh s VAL 88 CO 0.01 0.52 -0.05 -0.62 0.00 0.00 0.00 175.10 174.97 3njh s ASP 89 N 0.31 4.31 0.07 3.32 2.15 -0.32 -0.06 116.67 126.45 3njh s ASP 89 Ca -0.10 -0.71 0.22 0.00 0.43 0.00 0.00 52.55 52.40 3njh s ASP 89 Cb -0.16 -1.69 -0.09 0.00 -0.30 0.00 0.00 42.92 40.68 3njh s ASP 89 CO 0.05 -0.10 0.87 0.18 -0.17 0.00 0.00 175.17 176.01 3njh n LEU 90 N 4.72 0.52 0.00 -1.34 4.77 -1.26 -1.88 117.00 122.53 3njh n LEU 90 Ca -0.17 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3njh n LEU 90 Cb 0.48 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3njh n LEU 90 CO 0.28 -0.04 0.00 -0.90 -1.33 0.00 0.00 177.39 175.40 3njh n ASP 91 N -2.26 0.13 -0.22 -1.43 5.68 -1.26 -4.94 116.55 112.25 3njh n ASP 91 Ca -0.00 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.35 3njh n ASP 91 Cb 0.51 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.47 3njh n ASP 91 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3njh n LYS 92 N 0.00 2.18 -1.70 0.11 5.02 -1.26 -4.45 118.16 118.06 3njh n LYS 92 Ca 0.00 -0.54 -0.42 0.00 -2.02 0.00 0.00 58.31 55.33 3njh n LYS 92 Cb 0.00 -1.14 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 3njh n LYS 92 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3njh s THR 93 N -1.69 2.77 0.74 -0.18 2.01 -1.26 -4.97 115.64 113.07 3njh s THR 93 Ca 0.09 0.05 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 3njh s THR 93 Cb 0.10 -3.03 0.07 0.00 0.01 0.00 0.00 72.50 69.65 3njh s THR 93 CO 0.35 -0.00 1.07 -2.16 -0.69 0.00 0.00 174.62 173.19 3njh s PRO 94 N 3.56 2.06 0.00 4.92 0.04 -1.26 -4.77 135.00 139.55 3njh s PRO 94 Ca 0.84 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.71 3njh s PRO 94 Cb -0.44 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.00 3njh s PRO 94 CO 0.39 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 176.44 3njh n GLY 95 N -3.07 0.92 3.06 0.56 0.00 0.38 -4.92 105.19 102.11 3njh n GLY 95 Ca 0.08 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 3njh n GLY 95 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3njh s THR 96 N -2.46 0.08 0.25 2.61 -1.32 -1.26 0.47 115.64 114.01 3njh s THR 96 Ca 0.00 -0.67 0.01 0.00 -1.21 0.00 0.00 61.69 59.82 3njh s THR 96 Cb 0.00 -0.35 -0.05 0.00 -1.51 0.00 0.00 72.50 70.60 3njh s THR 96 CO 0.00 -0.37 0.12 0.28 -2.21 0.00 0.00 174.62 172.44 3njh s THR 97 N -1.22 0.39 0.01 5.08 -1.32 0.10 -4.99 115.64 113.69 3njh s THR 97 Ca -0.13 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.33 3njh s THR 97 Cb -0.07 -2.58 -0.01 0.00 -1.51 0.00 0.00 72.50 68.32 3njh s THR 97 CO 0.01 0.00 0.01 -1.59 -2.21 0.00 0.00 174.62 170.84 3njh s LYS 98 N -4.02 0.33 0.13 7.08 -2.85 -1.26 -0.79 119.74 118.36 3njh s LYS 98 Ca 0.38 -0.51 -0.17 0.00 -1.00 0.00 0.00 55.97 54.67 3njh s LYS 98 Cb 0.07 0.12 0.04 0.00 -2.06 0.00 0.00 37.83 36.00 3njh s LYS 98 CO 0.14 -0.06 0.43 -0.59 0.10 0.00 0.00 175.35 175.37 3njh s PHE 99 N -1.32 -0.25 -0.03 1.78 -0.12 -0.63 -4.32 117.98 113.09 3njh s PHE 99 Ca -0.14 -0.05 0.05 0.00 -0.05 0.00 0.00 56.93 56.74 3njh s PHE 99 Cb -0.09 0.31 -0.01 0.00 -0.63 0.00 0.00 43.02 42.60 3njh s PHE 99 CO -0.00 -0.73 -0.17 -0.65 -0.05 0.00 0.00 175.22 173.62 3njh s GLN 100 N -3.80 1.59 0.32 1.99 -0.21 0.20 -0.79 119.66 118.96 3njh s GLN 100 Ca 0.03 -0.62 -0.29 0.00 0.02 0.00 0.00 55.36 54.50 3njh s GLN 100 Cb 0.01 -1.46 -0.10 0.00 1.00 0.00 0.00 33.01 32.47 3njh s GLN 100 CO -0.12 0.32 1.29 -0.06 -2.12 0.00 0.00 175.29 174.59 3njh s PHE 101 N -0.20 3.12 -0.15 0.91 0.08 -1.26 -0.41 117.98 120.07 3njh s PHE 101 Ca 0.02 1.43 -0.01 0.00 0.12 0.00 0.00 56.93 58.49 3njh s PHE 101 Cb -0.09 -3.63 -0.01 0.00 -0.57 0.00 0.00 43.02 38.71 3njh s PHE 101 CO 0.01 -1.72 -0.11 0.08 -0.10 0.00 0.00 175.22 173.37 3njh s VAL 102 N -1.07 3.16 0.09 -0.44 1.01 -0.82 -2.49 120.40 119.84 3njh s VAL 102 Ca 0.49 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.89 3njh s VAL 102 Cb -0.39 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3njh s VAL 102 CO 0.51 0.51 -0.10 -0.76 0.00 0.00 0.00 175.10 175.25 3njh s LEU 103 N 0.55 2.40 0.52 3.92 1.02 -0.24 -1.63 118.68 125.22 3njh s LEU 103 Ca -0.07 -0.81 0.03 0.00 0.02 0.00 0.00 54.13 53.30 3njh s LEU 103 Cb -0.15 -0.29 0.03 0.00 0.02 0.00 0.00 46.19 45.79 3njh s LEU 103 CO 0.03 -0.27 0.72 -0.94 0.02 0.00 0.00 176.35 175.92 3njh s SER 104 N -2.43 5.37 0.11 2.29 1.04 0.33 -0.73 113.70 119.68 3njh s SER 104 Ca 0.05 -0.12 -0.06 0.00 0.48 0.00 0.00 55.95 56.30 3njh s SER 104 Cb -0.03 -0.82 -0.02 0.00 0.10 0.00 0.00 66.02 65.26 3njh s SER 104 CO -0.00 -1.05 0.17 0.54 0.98 0.00 0.00 173.24 173.88 3njh s ASN 105 N -4.41 0.18 0.00 7.02 2.20 -1.26 -1.96 114.94 116.71 3njh s ASN 105 Ca 0.57 -0.86 0.22 0.00 -0.94 0.00 0.00 52.86 51.84 3njh s ASN 105 Cb -0.10 0.34 -0.14 0.00 -2.00 0.00 0.00 41.25 39.35 3njh s ASN 105 CO 0.37 -0.76 0.92 0.35 -2.94 0.00 0.00 177.10 175.03 3njh n THR 106 N -0.09 0.01 0.12 0.54 -2.24 0.10 -4.16 114.28 108.56 3njh n THR 106 Ca -0.11 -0.08 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 3njh n THR 106 Cb 0.63 0.75 0.09 0.00 -2.10 0.00 0.00 70.33 69.70 3njh n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3njh h ALA 107 N 2.85 0.81 -2.54 6.98 0.00 -1.93 -3.48 119.26 121.95 3njh h ALA 107 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3njh h ALA 107 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3njh h ALA 107 CO 0.00 0.90 0.21 0.27 0.00 0.00 0.00 179.25 180.62 3njh n ASN 108 N -3.68 -1.36 -1.65 0.00 0.23 -1.26 -5.07 115.26 102.46 3njh n ASN 108 Ca -0.01 -1.91 -0.02 0.00 -0.53 0.00 0.00 54.58 52.11 3njh n ASN 108 Cb 0.70 2.26 0.29 0.00 -2.08 0.00 0.00 39.78 40.95 3njh n ASN 108 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3njh n THR 109 N -0.35 2.75 -3.17 5.53 -2.24 -1.26 -4.38 114.28 111.15 3njh n THR 109 Ca -0.05 -1.82 -0.37 0.00 -2.27 0.00 0.00 64.05 59.54 3njh n THR 109 Cb 0.37 -0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 3njh n THR 109 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3njh s LEU 110 N -2.98 4.40 0.49 3.22 1.02 -1.26 -5.07 118.68 118.49 3njh s LEU 110 Ca 0.51 1.34 -0.16 0.00 0.02 0.00 0.00 54.13 55.84 3njh s LEU 110 Cb 0.41 -3.37 -0.08 0.00 0.02 0.00 0.00 46.19 43.18 3njh s LEU 110 CO 0.11 0.11 0.95 -0.76 0.02 0.00 0.00 176.35 176.78 3njh s LEU 111 N -1.73 3.69 -0.16 1.79 1.43 -1.26 -4.37 118.68 118.07 3njh s LEU 111 Ca 0.39 1.52 -0.03 0.00 -1.03 0.00 0.00 54.13 54.97 3njh s LEU 111 Cb -0.17 -4.44 -0.02 0.00 0.03 0.00 0.00 46.19 41.58 3njh s LEU 111 CO 0.21 -0.53 -0.05 -0.69 0.23 0.00 0.00 176.35 175.51 3njh s VAL 112 N -2.53 3.66 -0.07 -1.59 1.01 0.09 -4.96 120.40 116.00 3njh s VAL 112 Ca 0.58 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 3njh s VAL 112 Cb -0.10 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 3njh s VAL 112 CO 0.29 0.49 -0.01 -0.76 0.00 0.00 0.00 175.10 175.10 3njh s LEU 113 N 0.54 3.48 0.17 3.92 1.43 -1.26 -1.07 118.68 125.89 3njh s LEU 113 Ca -0.04 0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.85 3njh s LEU 113 Cb -0.15 -1.81 -0.08 0.00 0.03 0.00 0.00 46.19 44.18 3njh s LEU 113 CO 0.03 0.36 1.28 -0.94 0.23 0.00 0.00 176.35 177.31 3njh s SER 114 N -0.94 6.95 0.23 2.29 1.04 -1.04 -4.96 113.70 117.27 3njh s SER 114 Ca 0.14 2.31 0.06 0.00 0.48 0.00 0.00 55.95 58.94 3njh s SER 114 Cb -0.11 -2.60 0.21 0.00 0.10 0.00 0.00 66.02 63.61 3njh s SER 114 CO 0.03 -0.50 1.53 1.55 0.98 0.00 0.00 173.24 176.83 3njh h PRO 115 N 5.65 0.13 -5.01 4.02 0.13 -1.96 -3.43 132.00 131.53 3njh h PRO 115 Ca -0.44 -0.11 -0.65 0.00 -0.87 0.00 0.00 66.00 63.94 3njh h PRO 115 Cb 1.21 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 32.15 3njh h PRO 115 CO 0.78 0.77 -0.63 -0.51 -0.23 0.00 0.00 178.00 178.18 3njh s ASP 116 N -6.88 5.11 0.12 1.44 1.01 -1.26 -5.06 116.67 111.15 3njh s ASP 116 Ca -0.03 -0.18 -0.31 0.00 0.71 0.00 0.00 52.55 52.74 3njh s ASP 116 Cb 0.12 -1.91 -0.09 0.00 1.01 0.00 0.00 42.92 42.05 3njh s ASP 116 CO 0.79 0.00 1.62 -2.84 0.21 0.00 0.00 175.17 174.95 3njh s PRO 117 N 1.38 4.20 0.19 8.23 0.02 -1.26 -4.85 135.00 142.92 3njh s PRO 117 Ca 0.05 2.36 -0.31 0.00 0.02 0.00 0.00 61.00 63.12 3njh s PRO 117 Cb -0.15 -3.37 -0.10 0.00 0.02 0.00 0.00 34.50 30.90 3njh s PRO 117 CO 0.03 -0.67 1.57 -0.65 -0.33 0.00 0.00 177.00 176.95 3njh s GLN 118 N 1.87 4.20 -0.09 5.54 -1.52 0.03 -4.79 119.66 124.91 3njh s GLN 118 Ca 0.72 2.40 -0.06 0.00 -1.95 0.00 0.00 55.36 56.47 3njh s GLN 118 Cb -0.42 -3.13 -0.04 0.00 -0.22 0.00 0.00 33.01 29.20 3njh s GLN 118 CO 0.32 -0.60 0.14 0.42 -0.25 0.00 0.00 175.29 175.32 3njh s ILE 119 N 0.91 5.43 -0.09 1.08 1.01 -1.26 -1.60 121.20 126.68 3njh s ILE 119 Ca 0.69 0.09 0.03 0.00 0.00 0.00 0.00 60.65 61.46 3njh s ILE 119 Cb -0.44 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 38.63 3njh s ILE 119 CO 0.34 0.55 -0.17 -0.63 0.00 0.00 0.00 174.94 175.03 3njh s ILE 120 N -1.09 1.55 0.11 2.92 1.01 0.03 -1.35 121.20 124.38 3njh s ILE 120 Ca 0.18 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.16 3njh s ILE 120 Cb -0.12 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 3njh s ILE 120 CO 0.07 0.45 0.04 0.20 0.00 0.00 0.00 174.94 175.70 3njh s ASN 121 N 0.61 5.16 -0.33 3.58 0.02 0.31 -0.72 114.94 123.57 3njh s ASN 121 Ca -0.14 -0.17 -0.00 0.00 -1.02 0.00 0.00 52.86 51.52 3njh s ASN 121 Cb -0.16 -1.26 0.13 0.00 0.02 0.00 0.00 41.25 39.98 3njh s ASN 121 CO 0.04 0.15 0.26 -0.60 0.02 0.00 0.00 177.10 176.97 3njh s ARG 122 N -2.54 0.45 0.00 -0.60 3.52 0.18 -0.29 118.95 119.65 3njh s ARG 122 Ca 0.27 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 55.10 3njh s ARG 122 Cb -0.11 -0.97 0.00 0.00 -1.56 0.00 0.00 34.95 32.30 3njh s ARG 122 CO 0.20 -1.13 0.43 -2.30 -0.81 0.00 0.00 175.30 171.69