#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 0.94 0.00 -0.52 -0.21 -1.26 -5.15 119.66 113.46 3njh s GLN 5 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 55.36 54.86 3njh s GLN 5 Cb 0.00 -0.92 0.00 0.00 1.00 0.00 0.00 33.01 33.09 3njh s GLN 5 CO 0.00 0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.82 3njh n GLY 6 N 2.52 2.08 3.65 3.09 0.00 -1.22 -5.00 105.19 110.31 3njh n GLY 6 Ca -0.15 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.52 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 3.31 -0.34 0.99 1.02 -1.26 -4.97 118.68 117.43 3njh s LEU 7 Ca 0.00 -0.29 0.02 0.00 0.02 0.00 0.00 54.13 53.88 3njh s LEU 7 Cb 0.00 -2.04 0.09 0.00 0.02 0.00 0.00 46.19 44.26 3njh s LEU 7 CO 0.00 0.15 0.06 0.00 0.02 0.00 0.00 176.35 176.58 3njh s ALA 8 N -1.39 2.90 0.16 4.21 0.00 -1.25 -1.10 121.76 125.29 3njh s ALA 8 Ca 0.25 -2.33 -0.11 0.00 0.00 0.00 0.00 51.96 49.77 3njh s ALA 8 Cb -0.11 -2.01 -0.07 0.00 0.00 0.00 0.00 23.12 20.93 3njh s ALA 8 CO 0.17 -1.59 0.50 -0.65 0.00 0.00 0.00 175.76 174.19 3njh s GLN 9 N 1.03 3.83 -0.08 0.00 -0.21 -0.10 -4.94 119.66 119.19 3njh s GLN 9 Ca 0.05 0.28 0.01 0.00 0.02 0.00 0.00 55.36 55.73 3njh s GLN 9 Cb -0.20 -2.83 0.02 0.00 1.00 0.00 0.00 33.01 30.99 3njh s GLN 9 CO -0.06 0.44 -0.10 -0.06 -2.12 0.00 0.00 175.29 173.39 3njh s PHE 10 N -1.60 1.42 -0.02 0.91 0.08 -1.26 0.38 117.98 117.89 3njh s PHE 10 Ca 0.41 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.89 3njh s PHE 10 Cb -0.13 -1.10 0.00 0.00 -0.57 0.00 0.00 43.02 41.23 3njh s PHE 10 CO 0.20 -0.35 -0.06 0.42 -0.10 0.00 0.00 175.22 175.34 3njh s ILE 11 N 1.02 0.50 -0.19 0.64 -1.09 0.06 -4.18 121.20 117.95 3njh s ILE 11 Ca -0.08 -0.22 -0.12 0.00 -2.23 0.00 0.00 60.65 58.00 3njh s ILE 11 Cb -0.15 -0.46 -0.05 0.00 -1.58 0.00 0.00 42.46 40.23 3njh s ILE 11 CO -0.00 0.17 0.24 -0.75 -1.23 0.00 0.00 174.94 173.36 3njh s LYS 12 N 0.19 4.19 -0.88 2.79 2.20 0.23 -1.65 119.74 126.81 3njh s LYS 12 Ca -0.02 -0.05 -0.17 0.00 -0.36 0.00 0.00 55.97 55.37 3njh s LYS 12 Cb -0.06 -3.47 0.16 0.00 -1.51 0.00 0.00 37.83 32.95 3njh s LYS 12 CO -0.00 0.17 0.98 0.08 -0.36 0.00 0.00 175.35 176.22 3njh s VAL 13 N 0.70 5.06 0.03 4.02 1.01 -0.39 -0.86 120.40 129.97 3njh s VAL 13 Ca 0.13 -1.89 -0.30 0.00 0.00 0.00 0.00 61.98 59.92 3njh s VAL 13 Cb -0.13 -4.66 -0.04 0.00 0.00 0.00 0.00 36.38 31.56 3njh s VAL 13 CO 0.03 -1.32 0.96 0.20 0.00 0.00 0.00 175.10 174.97 3njh s ASN 14 N 3.08 7.39 -0.10 3.32 0.01 -0.58 -0.97 114.94 127.09 3njh s ASN 14 Ca 0.27 1.68 -0.00 0.00 -0.71 0.00 0.00 52.86 54.09 3njh s ASN 14 Cb -0.07 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.04 3njh s ASN 14 CO -0.09 -0.19 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.55 3njh s VAL 15 N 0.69 0.95 0.28 1.60 1.01 -0.45 -0.83 120.40 123.64 3njh s VAL 15 Ca 0.50 -0.26 0.11 0.00 0.00 0.00 0.00 61.98 62.32 3njh s VAL 15 Cb -0.22 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 3njh s VAL 15 CO 0.28 0.35 -0.16 0.42 0.00 0.00 0.00 175.10 175.98 3njh s THR 16 N 1.55 2.30 -0.22 3.92 -4.23 -0.73 0.36 115.64 118.60 3njh s THR 16 Ca 0.02 -2.33 -0.10 0.00 -1.18 0.00 0.00 61.69 58.10 3njh s THR 16 Cb -0.13 -2.35 -0.05 0.00 1.34 0.00 0.00 72.50 71.32 3njh s THR 16 CO -0.06 -0.38 0.14 -0.22 -0.54 0.00 0.00 174.62 173.56 3njh s LEU 17 N -3.50 4.10 -0.11 4.79 2.96 -1.26 -1.06 118.68 124.60 3njh s LEU 17 Ca 0.30 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 3njh s LEU 17 Cb -0.03 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.61 3njh s LEU 17 CO 0.14 0.11 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.58 3njh s GLU 18 N 0.75 1.69 -1.26 1.98 0.41 -0.62 -4.79 118.70 116.85 3njh s GLU 18 Ca 0.07 -0.33 -0.04 0.00 -0.41 0.00 0.00 54.97 54.27 3njh s GLU 18 Cb -0.13 -1.66 0.00 0.00 -1.78 0.00 0.00 34.13 30.57 3njh s GLU 18 CO 0.02 -0.23 0.52 0.09 -0.49 0.00 0.00 175.26 175.17 3njh n ASN 19 N 4.78 -5.31 0.00 -0.19 5.03 -1.26 -2.46 115.26 115.85 3njh n ASN 19 Ca -0.14 -0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.06 3njh n ASN 19 Cb 0.50 -4.13 0.00 0.00 -1.02 0.00 0.00 39.78 35.13 3njh n ASN 19 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3njh n GLY 20 N -1.40 0.66 3.10 7.41 0.00 -1.26 -5.03 105.19 108.67 3njh n GLY 20 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.14 0.47 0.34 1.61 0.41 -1.03 -5.09 118.70 115.27 3njh s GLU 21 Ca 0.00 -0.38 -0.29 0.00 -0.41 0.00 0.00 54.97 53.89 3njh s GLU 21 Cb 0.00 0.20 -0.10 0.00 -1.78 0.00 0.00 34.13 32.44 3njh s GLU 21 CO 0.00 -0.11 1.36 -1.25 -0.49 0.00 0.00 175.26 174.77 3njh s PRO 22 N -1.34 4.29 -0.06 0.39 0.04 -1.26 -1.60 135.00 135.46 3njh s PRO 22 Ca -0.14 2.31 0.02 0.00 0.04 0.00 0.00 61.00 63.22 3njh s PRO 22 Cb -0.07 -3.05 0.02 0.00 0.04 0.00 0.00 34.50 31.43 3njh s PRO 22 CO 0.02 -0.28 -0.09 0.08 0.04 0.00 0.00 177.00 176.77 3njh s VAL 23 N -1.06 0.87 -0.17 -0.36 1.01 -0.22 -4.91 120.40 115.55 3njh s VAL 23 Ca 0.50 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 3njh s VAL 23 Cb -0.41 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3njh s VAL 23 CO 0.55 0.30 0.01 -0.36 0.00 0.00 0.00 175.10 175.60 3njh s PHE 24 N 0.84 3.12 -0.08 5.22 0.08 -1.26 -1.77 117.98 124.13 3njh s PHE 24 Ca -0.12 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 56.79 3njh s PHE 24 Cb -0.15 -2.02 0.02 0.00 -0.57 0.00 0.00 43.02 40.29 3njh s PHE 24 CO 0.01 0.02 -0.11 0.42 -0.10 0.00 0.00 175.22 175.46 3njh s ILE 25 N 0.44 1.15 -0.20 0.64 1.09 -0.02 -5.00 121.20 119.32 3njh s ILE 25 Ca -0.01 -0.45 -0.08 0.00 -1.10 0.00 0.00 60.65 59.02 3njh s ILE 25 Cb -0.13 -1.08 -0.04 0.00 -1.06 0.00 0.00 42.46 40.14 3njh s ILE 25 CO 0.02 0.37 0.07 -0.31 -0.10 0.00 0.00 174.94 174.99 3njh s TYR 26 N 0.98 3.23 0.17 3.97 2.02 -1.26 -1.53 117.35 124.92 3njh s TYR 26 Ca -0.08 0.01 0.08 0.00 -0.37 0.00 0.00 57.07 56.71 3njh s TYR 26 Cb -0.15 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 3njh s TYR 26 CO -0.00 0.06 -0.17 0.95 -1.57 0.00 0.00 175.55 174.83 3njh s THR 27 N 0.63 1.71 0.18 -0.71 -4.23 -0.04 -0.71 115.64 112.48 3njh s THR 27 Ca 0.04 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 3njh s THR 27 Cb -0.13 -1.83 0.03 0.00 1.34 0.00 0.00 72.50 71.91 3njh s THR 27 CO 0.01 -0.40 0.25 -0.90 -0.54 0.00 0.00 174.62 173.05 3njh n ASP 28 N 0.18 0.53 0.24 3.99 5.68 -0.30 0.76 116.55 127.63 3njh n ASP 28 Ca -0.12 -1.40 0.16 0.00 -0.50 0.00 0.00 54.79 52.92 3njh n ASP 28 Cb 0.58 -0.15 0.68 0.00 -1.14 0.00 0.00 41.12 41.10 3njh n ASP 28 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3njh h ALA 29 N 0.07 1.00 -0.50 2.12 0.00 -1.90 -0.99 119.26 119.06 3njh h ALA 29 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3njh h ALA 29 Cb 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 3njh h ALA 29 CO 0.11 0.00 0.20 0.27 0.00 0.00 0.00 179.25 179.83 3njh n ASN 30 N -2.83 3.76 -1.04 0.00 6.94 -1.26 -4.91 115.26 115.91 3njh n ASN 30 Ca 0.01 -2.80 -0.14 0.00 -0.02 0.00 0.00 54.58 51.63 3njh n ASN 30 Cb 0.25 -0.67 -0.06 0.00 -2.36 0.00 0.00 39.78 36.95 3njh n ASN 30 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3njh n GLY 31 N -0.06 1.35 3.75 4.83 0.00 -0.38 -4.96 105.19 109.72 3njh n GLY 31 Ca 0.28 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3njh n GLY 31 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3njh s GLN 32 N -3.09 4.36 0.23 1.61 0.74 -1.26 -4.76 119.66 117.50 3njh s GLN 32 Ca 0.00 0.75 -0.30 0.00 0.05 0.00 0.00 55.36 55.86 3njh s GLN 32 Cb 0.00 -3.38 -0.10 0.00 1.10 0.00 0.00 33.01 30.63 3njh s GLN 32 CO 0.00 0.26 1.48 0.08 -0.55 0.00 0.00 175.29 176.56 3njh s VAL 33 N 0.16 2.60 0.16 1.34 1.01 -1.26 -1.15 120.40 123.26 3njh s VAL 33 Ca 0.32 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 3njh s VAL 33 Cb -0.18 -3.31 -0.08 0.00 0.00 0.00 0.00 36.38 32.81 3njh s VAL 33 CO 0.17 0.07 1.25 0.00 0.00 0.00 0.00 175.10 176.59 3njh s GLN 35 N 0.17 1.81 1.13 0.00 -1.52 -1.26 -4.95 119.66 115.04 3njh s GLN 35 Ca 0.56 -0.87 0.00 0.00 -1.95 0.00 0.00 55.36 53.10 3njh s GLN 35 Cb -0.34 -2.44 0.00 0.00 -0.22 0.00 0.00 33.01 30.01 3njh s GLN 35 CO 0.35 -0.49 0.00 0.41 -0.25 0.00 0.00 175.29 175.31 3njh n GLY 36 N 4.70 -1.10 3.85 3.09 0.00 -1.26 -4.93 105.19 109.54 3njh n GLY 36 Ca -0.13 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 3njh n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3njh s ALA 37 N -1.53 3.27 0.05 4.61 0.00 -1.26 -4.75 121.76 122.15 3njh s ALA 37 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 3njh s ALA 37 Cb 0.00 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 3njh s ALA 37 CO 0.00 0.21 0.92 0.42 0.00 0.00 0.00 175.76 177.31 3njh s ILE 38 N -2.12 4.70 -0.08 0.00 1.09 -0.39 -4.91 121.20 119.50 3njh s ILE 38 Ca 0.55 1.95 -0.16 0.00 -1.10 0.00 0.00 60.65 61.89 3njh s ILE 38 Cb -0.10 -4.27 -0.05 0.00 -1.06 0.00 0.00 42.46 36.98 3njh s ILE 38 CO 0.20 0.27 0.43 -0.89 -0.10 0.00 0.00 174.94 174.85 3njh s THR 39 N 0.40 5.14 -0.22 2.92 2.01 -1.26 -0.97 115.64 123.65 3njh s THR 39 Ca 0.47 0.87 -0.02 0.00 0.31 0.00 0.00 61.69 63.32 3njh s THR 39 Cb -0.22 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.55 3njh s THR 39 CO 0.27 0.43 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.84 3njh s VAL 40 N -0.02 2.80 -0.35 3.82 1.01 -0.51 -4.97 120.40 122.19 3njh s VAL 40 Ca 0.24 -0.83 0.13 0.00 0.00 0.00 0.00 61.98 61.52 3njh s VAL 40 Cb -0.15 -2.31 -0.17 0.00 0.00 0.00 0.00 36.38 33.74 3njh s VAL 40 CO 0.11 0.36 0.44 1.07 0.00 0.00 0.00 175.10 177.08 3njh n THR 41 N 4.69 0.00 -3.70 3.92 5.66 -1.26 -3.90 114.28 119.69 3njh n THR 41 Ca -0.18 -0.24 -0.10 0.00 -3.05 0.00 0.00 64.05 60.47 3njh n THR 41 Cb 0.49 0.64 -0.04 0.00 -1.55 0.00 0.00 70.33 69.87 3njh n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3njh s GLN 42 N -2.54 1.19 0.11 1.09 -2.07 -1.26 -4.84 119.66 111.34 3njh s GLN 42 Ca 0.01 -0.80 -0.36 0.00 -1.82 0.00 0.00 55.36 52.38 3njh s GLN 42 Cb 0.09 0.48 -0.16 0.00 -1.09 0.00 0.00 33.01 32.33 3njh s GLN 42 CO 0.54 -0.48 1.29 0.00 -1.32 0.00 0.00 175.29 175.32 3njh n ALA 43 N -0.27 -0.97 -3.00 2.60 0.00 -1.26 -4.66 120.51 112.95 3njh n ALA 43 Ca -0.13 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3njh n ALA 43 Cb 0.63 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 18.03 3njh n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3njh n GLY 44 N 2.37 0.67 3.19 0.00 0.00 -0.71 -3.43 105.19 107.27 3njh n GLY 44 Ca 0.18 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.01 0.98 -0.16 2.61 -4.23 -0.25 -1.05 115.64 111.52 3njh s THR 45 Ca 0.00 -1.68 -0.01 0.00 -1.18 0.00 0.00 61.69 58.81 3njh s THR 45 Cb 0.00 -1.42 0.05 0.00 1.34 0.00 0.00 72.50 72.47 3njh s THR 45 CO 0.00 -0.57 -0.01 -0.63 -0.54 0.00 0.00 174.62 172.87 3njh s ILE 46 N -2.52 0.78 -0.21 2.99 1.01 -0.68 -0.92 121.20 121.64 3njh s ILE 46 Ca 0.07 -0.47 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 3njh s ILE 46 Cb -0.02 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 3njh s ILE 46 CO 0.00 0.03 0.11 -0.89 0.00 0.00 0.00 174.94 174.19 3njh s THR 47 N 1.77 5.02 -0.19 2.92 2.01 0.16 -1.52 115.64 125.80 3njh s THR 47 Ca 0.01 0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.03 3njh s THR 47 Cb -0.15 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 3njh s THR 47 CO -0.07 0.40 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.90 3njh s TYR 48 N 0.75 2.96 -0.21 4.92 2.02 0.13 -0.76 117.35 127.17 3njh s TYR 48 Ca 0.06 -0.69 -0.08 0.00 -0.37 0.00 0.00 57.07 55.98 3njh s TYR 48 Cb -0.13 -2.04 -0.04 0.00 -0.40 0.00 0.00 41.96 39.35 3njh s TYR 48 CO 0.02 -0.36 0.09 -0.51 -1.57 0.00 0.00 175.55 173.22 3njh s LEU 49 N 1.04 3.85 -0.20 -1.29 1.02 -0.66 -1.39 118.68 121.05 3njh s LEU 49 Ca 0.01 0.05 -0.29 0.00 0.02 0.00 0.00 54.13 53.92 3njh s LEU 49 Cb -0.15 -2.00 -0.01 0.00 0.02 0.00 0.00 46.19 44.06 3njh s LEU 49 CO 0.00 0.12 1.21 -0.22 0.02 0.00 0.00 176.35 177.48 3njh s LEU 50 N 0.73 4.12 -0.93 1.79 2.96 0.14 -1.26 118.68 126.23 3njh s LEU 50 Ca 0.05 1.55 -0.06 0.00 -0.22 0.00 0.00 54.13 55.45 3njh s LEU 50 Cb -0.13 -3.54 0.23 0.00 0.50 0.00 0.00 46.19 43.26 3njh s LEU 50 CO 0.02 -0.78 0.86 0.21 -1.32 0.00 0.00 176.35 175.33 3njh s ASN 51 N 1.90 6.45 -0.54 3.68 2.47 -0.15 -4.95 114.94 123.80 3njh s ASN 51 Ca 0.52 -3.48 -0.28 0.00 0.42 0.00 0.00 52.86 50.04 3njh s ASN 51 Cb -0.19 -2.04 0.01 0.00 -1.45 0.00 0.00 41.25 37.58 3njh s ASN 51 CO 0.14 -0.28 1.42 -0.62 -3.72 0.00 0.00 177.10 174.04 3njh s ASP 52 N 0.68 6.14 -0.31 -4.21 2.15 -1.26 -1.35 116.67 118.52 3njh s ASP 52 Ca 0.26 0.36 0.10 0.00 0.43 0.00 0.00 52.55 53.71 3njh s ASP 52 Cb -0.10 -2.54 0.65 0.00 -0.30 0.00 0.00 42.92 40.63 3njh s ASP 52 CO -0.10 -1.68 1.69 0.00 -0.17 0.00 0.00 175.17 174.91 3njh n GLN 53 N 8.59 3.01 -0.00 4.34 1.13 0.16 -4.68 117.38 129.92 3njh n GLN 53 Ca 0.13 -3.06 0.09 0.00 -1.94 0.00 0.00 57.00 52.22 3njh n GLN 53 Cb 0.49 -2.07 -0.11 0.00 0.11 0.00 0.00 30.24 28.66 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 -0.55 0.00 -2.14 5.09 -2.24 -1.24 -4.49 114.28 108.70 3njh n THR 54 Ca 0.39 -0.18 -0.20 0.00 -2.27 0.00 0.00 64.05 61.78 3njh n THR 54 Cb 1.27 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 70.19 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 -1.64 -1.79 -0.45 3.22 4.77 -1.26 -4.84 117.00 115.01 3njh n LEU 55 Ca 0.01 0.14 0.05 0.00 -0.03 0.00 0.00 56.01 56.18 3njh n LEU 55 Cb 0.34 -2.85 0.13 0.00 -2.33 0.00 0.00 43.42 38.70 3njh n LEU 55 CO 0.37 -0.47 0.60 0.29 -1.33 0.00 0.00 177.39 176.85 3njh n LYS 56 N -2.79 2.77 -2.43 3.23 4.76 -1.26 -4.97 118.16 117.47 3njh n LYS 56 Ca -0.23 -2.07 -0.18 0.00 -2.87 0.00 0.00 58.31 52.96 3njh n LYS 56 Cb 0.68 -1.31 -0.00 0.00 -1.84 0.00 0.00 35.03 32.56 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 -0.12 -0.35 3.74 0.72 0.00 -1.26 -0.58 105.19 107.34 3njh n GLY 57 Ca 0.10 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3njh n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3njh n LEU 58 N -2.69 4.53 -3.84 0.99 4.77 -1.26 -3.75 117.00 115.76 3njh n LEU 58 Ca -0.19 1.15 -0.12 0.00 -0.03 0.00 0.00 56.01 56.83 3njh n LEU 58 Cb 0.65 -1.56 -0.11 0.00 -2.33 0.00 0.00 43.42 40.07 3njh n LEU 58 CO 0.27 -0.26 -0.16 -0.54 -1.33 0.00 0.00 177.39 175.38 3njh s LYS 59 N -2.22 0.37 0.23 3.23 1.02 -0.79 -4.97 119.74 116.62 3njh s LYS 59 Ca 0.58 -0.10 -0.30 0.00 0.02 0.00 0.00 55.97 56.17 3njh s LYS 59 Cb -0.49 0.16 -0.09 0.00 -0.52 0.00 0.00 37.83 36.89 3njh s LYS 59 CO 0.60 -0.08 1.38 -0.06 -0.92 0.00 0.00 175.35 176.27 3njh s PHE 60 N -0.73 3.13 -0.34 3.18 0.08 0.93 -0.82 117.98 123.41 3njh s PHE 60 Ca -0.08 1.12 0.10 0.00 0.12 0.00 0.00 56.93 58.19 3njh s PHE 60 Cb -0.05 -3.72 -0.13 0.00 -0.57 0.00 0.00 43.02 38.56 3njh s PHE 60 CO 0.01 -2.30 0.37 1.33 -0.10 0.00 0.00 175.22 174.54 3njh n VAL 61 N 2.43 0.00 0.00 -0.44 0.24 -0.45 -4.56 118.33 115.56 3njh n VAL 61 Ca 0.06 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3njh n VAL 61 Cb 0.41 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 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 1.44 0.08 3.30 7.63 0.00 -1.18 -5.04 105.19 111.43 3njh n GLY 62 Ca 0.01 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.00 2.21 -0.15 1.61 1.01 -1.26 -1.76 120.40 120.07 3njh s VAL 63 Ca 0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 3njh s VAL 63 Cb 0.00 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 3njh s VAL 63 CO 0.00 0.57 -0.06 -0.83 0.00 0.00 0.00 175.10 174.78 3njh s GLY 64 N -0.25 1.67 -0.07 4.51 0.00 0.99 -4.95 107.32 109.23 3njh s GLY 64 Ca -0.01 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 43.91 3njh s GLY 64 CO 0.03 -0.13 -0.17 -1.36 0.00 0.00 0.00 173.10 171.48 3njh s PHE 65 N 0.30 1.79 0.31 1.90 0.08 -1.26 -0.64 117.98 120.45 3njh s PHE 65 Ca -0.05 -0.63 0.07 0.00 0.12 0.00 0.00 56.93 56.43 3njh s PHE 65 Cb -0.14 -1.24 0.50 0.00 -0.57 0.00 0.00 43.02 41.56 3njh s PHE 65 CO 0.04 -0.27 1.73 0.28 -0.10 0.00 0.00 175.22 176.90 3njh h VAL 66 N 5.67 1.29 -2.54 -0.44 2.07 -2.00 -3.32 116.25 116.98 3njh h VAL 66 Ca -0.29 -1.40 -0.60 0.00 0.82 0.00 0.00 66.70 65.22 3njh h VAL 66 Cb 1.19 1.60 -0.41 0.00 -1.52 0.00 0.00 31.29 32.15 3njh h VAL 66 CO 0.47 0.42 -0.66 0.35 0.02 0.00 0.00 177.57 178.18 3njh n THR 67 N -4.07 1.52 0.35 2.57 -2.24 -1.26 -4.94 114.28 106.21 3njh n THR 67 Ca -0.01 -4.83 0.10 0.00 -2.27 0.00 0.00 64.05 57.04 3njh n THR 67 Cb 0.45 -2.09 0.45 0.00 -2.10 0.00 0.00 70.33 67.04 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 1.49 0.14 -0.71 -0.78 -0.04 -1.25 -2.82 135.00 131.03 3njh n PRO 68 Ca 0.25 0.44 0.05 0.00 -0.04 0.00 0.00 63.50 64.20 3njh n PRO 68 Cb 0.40 -1.81 0.31 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.08 1.57 1.93 0.54 3.72 -1.26 -4.59 117.46 117.30 3njh n PHE 69 Ca 0.02 -0.94 0.16 0.00 -0.05 0.00 0.00 57.45 56.63 3njh n PHE 69 Cb 0.17 -0.46 0.91 0.00 -0.94 0.00 0.00 39.48 39.16 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 -0.16 0.10 -0.23 4.37 5.68 -1.13 -4.91 116.55 120.27 3njh n ASP 70 Ca 0.28 -0.98 -0.03 0.00 -0.50 0.00 0.00 54.79 53.55 3njh n ASP 70 Cb 1.09 -0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 41.04 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 1.03 0.52 0.00 6.12 0.00 -1.26 -4.93 105.19 106.66 3njh n GLY 71 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.54 0.00 -2.39 -0.61 2.08 -1.26 -4.52 119.36 110.12 3njh n ILE 72 Ca -0.03 0.00 -0.41 0.00 0.56 0.00 0.00 62.75 62.87 3njh n ILE 72 Cb 0.29 -0.41 -0.03 0.00 -0.75 0.00 0.00 39.64 38.73 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 0.00 3.70 -0.07 1.39 -1.09 -1.26 -4.70 121.20 119.17 3njh s ILE 73 Ca 0.00 1.36 0.15 0.00 -2.23 0.00 0.00 60.65 59.92 3njh s ILE 73 Cb 0.00 -3.87 -0.22 0.00 -1.58 0.00 0.00 42.46 36.79 3njh s ILE 73 CO 0.00 0.18 0.23 0.47 -1.23 0.00 0.00 174.94 174.59 3njh n ASP 74 N 2.97 1.46 -3.56 3.58 8.00 -0.27 -4.91 116.55 123.82 3njh n ASP 74 Ca 0.06 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.45 3njh n ASP 74 Cb 0.45 1.39 -0.03 0.00 -0.02 0.00 0.00 41.12 42.91 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 -2.81 -1.21 -0.04 2.24 0.00 -1.16 -5.02 121.76 113.76 3njh s ALA 75 Ca -0.06 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.06 3njh s ALA 75 Cb 0.08 0.79 0.02 0.00 0.00 0.00 0.00 23.12 24.01 3njh s ALA 75 CO 0.62 -0.72 -0.05 0.08 0.00 0.00 0.00 175.76 175.70 3njh s VAL 76 N -3.79 0.56 0.01 0.00 1.01 -1.26 -1.48 120.40 115.46 3njh s VAL 76 Ca 0.03 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.92 3njh s VAL 76 Cb 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 3njh s VAL 76 CO -0.11 0.23 -0.17 0.28 0.00 0.00 0.00 175.10 175.32 3njh s THR 77 N 0.81 2.83 0.01 3.92 -1.32 0.98 -4.98 115.64 117.89 3njh s THR 77 Ca -0.11 -1.05 0.03 0.00 -1.21 0.00 0.00 61.69 59.35 3njh s THR 77 Cb -0.14 -2.16 -0.01 0.00 -1.51 0.00 0.00 72.50 68.68 3njh s THR 77 CO 0.00 0.42 -0.10 -0.63 -2.21 0.00 0.00 174.62 172.10 3njh s ILE 78 N -0.86 0.78 0.51 5.08 1.01 -1.26 -0.41 121.20 126.06 3njh s ILE 78 Ca 0.14 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 3njh s ILE 78 Cb -0.10 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.63 3njh s ILE 78 CO 0.04 0.12 0.90 -0.94 0.00 0.00 0.00 174.94 175.06 3njh s SER 79 N -0.50 6.39 0.45 3.58 1.04 0.03 -4.96 113.70 119.73 3njh s SER 79 Ca 0.02 1.27 0.28 0.00 0.48 0.00 0.00 55.95 58.01 3njh s SER 79 Cb -0.05 -2.39 0.95 0.00 0.10 0.00 0.00 66.02 64.63 3njh s SER 79 CO 0.00 -0.63 1.81 0.77 0.98 0.00 0.00 173.24 176.17 3njh h SER 80 N 0.45 0.00 -0.10 7.02 4.64 -2.00 -0.19 113.55 123.37 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 0.62 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 3njh n ASP 81 N -2.90 2.38 -0.02 4.97 5.68 -1.26 -4.97 116.55 120.43 3njh n ASP 81 Ca 0.02 -1.79 -0.00 0.00 -0.50 0.00 0.00 54.79 52.52 3njh n ASP 81 Cb 0.38 -0.05 -0.00 0.00 -1.14 0.00 0.00 41.12 40.30 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 1.28 0.35 0.06 6.12 0.00 -0.08 -4.84 105.19 108.08 3njh n GLY 82 Ca 0.17 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.28 3njh n GLY 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3njh n MET 83 N -1.69 0.44 -4.65 1.61 2.81 -1.26 -0.05 117.12 114.33 3njh n MET 83 Ca -0.00 0.01 -0.26 0.00 -1.81 0.00 0.00 57.70 55.64 3njh n MET 83 Cb 0.17 -1.66 -0.17 0.00 -0.71 0.00 0.00 33.22 30.85 3njh n MET 83 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3njh s LEU 84 N -4.47 1.70 0.07 4.03 1.43 -1.26 0.25 118.68 120.43 3njh s LEU 84 Ca 0.01 -0.34 0.10 0.00 -1.03 0.00 0.00 54.13 52.87 3njh s LEU 84 Cb 0.13 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.40 3njh s LEU 84 CO 0.81 0.05 -0.27 0.68 0.23 0.00 0.00 176.35 177.85 3njh s VAL 85 N 0.66 2.17 -0.03 -1.59 -7.23 -0.49 -0.79 120.40 113.10 3njh s VAL 85 Ca -0.14 -1.50 0.02 0.00 -1.81 0.00 0.00 61.98 58.54 3njh s VAL 85 Cb -0.16 -1.88 0.01 0.00 0.56 0.00 0.00 36.38 34.91 3njh s VAL 85 CO 0.04 0.29 -0.05 -1.10 -0.31 0.00 0.00 175.10 173.96 3njh s GLN 86 N -1.48 0.70 -0.18 4.82 -0.21 0.45 0.22 119.66 124.00 3njh s GLN 86 Ca 0.12 -0.16 -0.09 0.00 0.02 0.00 0.00 55.36 55.25 3njh s GLN 86 Cb -0.10 -0.70 -0.05 0.00 1.00 0.00 0.00 33.01 33.16 3njh s GLN 86 CO 0.03 0.02 0.11 -0.51 -2.12 0.00 0.00 175.29 172.82 3njh s LEU 87 N 0.45 4.14 -0.06 2.90 1.43 -0.58 -0.01 118.68 126.95 3njh s LEU 87 Ca -0.06 0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.34 3njh s LEU 87 Cb -0.10 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 3njh s LEU 87 CO 0.00 0.23 -0.23 -0.69 0.23 0.00 0.00 176.35 175.89 3njh s VAL 88 N 0.03 1.91 -0.25 -1.59 1.01 -0.55 -1.69 120.40 119.28 3njh s VAL 88 Ca 0.09 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 3njh s VAL 88 Cb -0.11 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 3njh s VAL 88 CO -0.00 0.53 0.03 -0.62 0.00 0.00 0.00 175.10 175.04 3njh s ASP 89 N -0.03 4.80 -0.02 3.32 -1.08 -0.22 -1.11 116.67 122.32 3njh s ASP 89 Ca -0.06 -0.37 0.19 0.00 -0.52 0.00 0.00 52.55 51.79 3njh s ASP 89 Cb -0.14 -1.84 -0.28 0.00 -1.46 0.00 0.00 42.92 39.20 3njh s ASP 89 CO 0.04 -0.06 0.49 0.18 0.52 0.00 0.00 175.17 176.34 3njh n LEU 90 N 4.86 0.15 0.00 -1.34 4.77 -1.26 -1.74 117.00 122.45 3njh n LEU 90 Ca -0.17 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 3njh n LEU 90 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3njh n LEU 90 CO 0.30 0.04 0.00 -0.90 -1.33 0.00 0.00 177.39 175.50 3njh n ASP 91 N -2.04 0.00 -0.49 -1.43 5.68 -1.26 -4.92 116.55 112.09 3njh n ASP 91 Ca -0.02 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.31 3njh n ASP 91 Cb 0.46 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.50 3njh n ASP 91 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3njh n LYS 92 N 0.00 0.50 -1.89 0.11 2.85 -1.26 -4.13 118.16 114.33 3njh n LYS 92 Ca 0.00 -1.76 -0.42 0.00 -1.05 0.00 0.00 58.31 55.08 3njh n LYS 92 Cb 0.00 -0.83 -0.03 0.00 -0.65 0.00 0.00 35.03 33.53 3njh n LYS 92 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3njh s THR 93 N -1.10 3.25 0.67 0.58 2.01 -1.26 -4.71 115.64 115.07 3njh s THR 93 Ca 0.16 0.45 -0.10 0.00 0.31 0.00 0.00 61.69 62.52 3njh s THR 93 Cb 0.16 -3.29 0.01 0.00 0.01 0.00 0.00 72.50 69.38 3njh s THR 93 CO -0.02 -0.03 1.05 -2.16 -0.69 0.00 0.00 174.62 172.77 3njh s PRO 94 N 3.67 2.92 0.00 4.92 0.04 -1.26 -4.75 135.00 140.53 3njh s PRO 94 Ca 0.77 0.36 0.00 0.00 0.04 0.00 0.00 61.00 62.18 3njh s PRO 94 Cb -0.38 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.07 3njh s PRO 94 CO 0.33 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.86 3njh n GLY 95 N -2.89 0.89 3.35 0.56 0.00 -0.27 -4.95 105.19 101.88 3njh n GLY 95 Ca 0.06 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.67 3njh n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3njh s THR 96 N -1.03 2.27 0.31 2.61 2.01 -1.26 -0.21 115.64 120.34 3njh s THR 96 Ca 0.00 -1.15 0.03 0.00 0.31 0.00 0.00 61.69 60.88 3njh s THR 96 Cb 0.00 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.62 3njh s THR 96 CO 0.00 0.50 0.10 0.28 -0.69 0.00 0.00 174.62 174.81 3njh s THR 97 N -0.71 0.75 -0.05 -0.82 -1.32 0.32 -4.99 115.64 108.81 3njh s THR 97 Ca 0.11 -2.00 -0.03 0.00 -1.21 0.00 0.00 61.69 58.56 3njh s THR 97 Cb -0.10 -2.63 0.03 0.00 -1.51 0.00 0.00 72.50 68.29 3njh s THR 97 CO 0.01 0.00 0.12 -0.54 -2.21 0.00 0.00 174.62 172.00 3njh s LYS 98 N -3.90 0.10 0.13 7.08 1.02 -1.26 -1.03 119.74 121.88 3njh s LYS 98 Ca 0.35 0.27 -0.03 0.00 0.02 0.00 0.00 55.97 56.57 3njh s LYS 98 Cb 0.07 -0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.26 3njh s LYS 98 CO 0.15 -0.10 0.11 -0.59 -0.92 0.00 0.00 175.35 174.00 3njh s PHE 99 N 0.70 0.69 0.02 3.18 -0.12 -0.37 -4.38 117.98 117.71 3njh s PHE 99 Ca -0.05 -1.08 0.06 0.00 -0.05 0.00 0.00 56.93 55.80 3njh s PHE 99 Cb -0.07 -0.35 -0.02 0.00 -0.63 0.00 0.00 43.02 41.95 3njh s PHE 99 CO -0.03 -0.56 -0.17 -0.65 -0.05 0.00 0.00 175.22 173.75 3njh s GLN 100 N -4.01 1.25 0.19 1.99 -0.21 0.19 -0.63 119.66 118.42 3njh s GLN 100 Ca 0.20 -0.74 -0.30 0.00 0.02 0.00 0.00 55.36 54.54 3njh s GLN 100 Cb 0.06 -1.26 -0.08 0.00 1.00 0.00 0.00 33.01 32.73 3njh s GLN 100 CO 0.00 0.33 1.21 -0.06 -2.12 0.00 0.00 175.29 174.65 3njh s PHE 101 N -0.64 3.40 -0.14 0.91 0.08 -1.26 -0.00 117.98 120.33 3njh s PHE 101 Ca 0.05 1.40 -0.02 0.00 0.12 0.00 0.00 56.93 58.49 3njh s PHE 101 Cb -0.07 -3.46 -0.02 0.00 -0.57 0.00 0.00 43.02 38.90 3njh s PHE 101 CO 0.01 -1.29 -0.09 0.08 -0.10 0.00 0.00 175.22 173.83 3njh s VAL 102 N -0.07 3.46 0.04 -0.44 1.01 -0.72 -2.50 120.40 121.18 3njh s VAL 102 Ca 0.53 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3njh s VAL 102 Cb -0.33 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 3njh s VAL 102 CO 0.37 0.52 -0.08 -0.76 0.00 0.00 0.00 175.10 175.14 3njh s LEU 103 N 0.27 2.26 0.49 3.92 1.02 -0.53 -1.34 118.68 124.76 3njh s LEU 103 Ca -0.06 -0.55 -0.01 0.00 0.02 0.00 0.00 54.13 53.52 3njh s LEU 103 Cb -0.15 -0.20 -0.00 0.00 0.02 0.00 0.00 46.19 45.86 3njh s LEU 103 CO 0.04 -0.19 0.74 -0.94 0.02 0.00 0.00 176.35 176.02 3njh s SER 104 N -1.58 5.77 0.07 2.29 1.04 0.00 -1.18 113.70 120.11 3njh s SER 104 Ca -0.09 0.41 -0.04 0.00 0.48 0.00 0.00 55.95 56.71 3njh s SER 104 Cb -0.10 -1.59 -0.02 0.00 0.10 0.00 0.00 66.02 64.41 3njh s SER 104 CO 0.01 -0.80 0.07 0.54 0.98 0.00 0.00 173.24 174.03 3njh s ASN 105 N -4.24 0.33 0.00 7.02 2.20 -1.26 -1.88 114.94 117.11 3njh s ASN 105 Ca 0.50 -0.86 0.25 0.00 -0.94 0.00 0.00 52.86 51.81 3njh s ASN 105 Cb -0.10 0.26 0.46 0.00 -2.00 0.00 0.00 41.25 39.87 3njh s ASN 105 CO 0.40 -0.66 1.39 0.35 -2.94 0.00 0.00 177.10 175.64 3njh n THR 106 N 0.03 0.00 0.12 0.54 -2.24 0.25 -4.20 114.28 108.79 3njh n THR 106 Ca -0.14 -0.24 -0.21 0.00 -2.27 0.00 0.00 64.05 61.19 3njh n THR 106 Cb 0.62 0.86 -0.15 0.00 -2.10 0.00 0.00 70.33 69.56 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 4.00 -0.01 -3.55 6.98 0.00 -1.94 -3.49 119.26 121.25 3njh h ALA 107 Ca 0.00 -0.92 -0.17 0.00 0.00 0.00 0.00 54.91 53.83 3njh h ALA 107 Cb 0.66 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3njh h ALA 107 CO 0.00 0.86 0.04 0.27 0.00 0.00 0.00 179.25 180.42 3njh n ASN 108 N -3.62 -1.73 -1.87 0.00 0.23 -1.26 -5.05 115.26 101.97 3njh n ASN 108 Ca -0.14 -2.72 -0.04 0.00 -0.53 0.00 0.00 54.58 51.15 3njh n ASN 108 Cb 1.07 3.03 0.29 0.00 -2.08 0.00 0.00 39.78 42.08 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 -0.54 2.64 -3.40 5.53 -2.24 -1.26 -4.35 114.28 110.65 3njh n THR 109 Ca -0.03 -1.41 -0.34 0.00 -2.27 0.00 0.00 64.05 60.00 3njh n THR 109 Cb 0.57 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.62 4.27 0.53 3.22 1.02 -1.26 -5.07 118.68 118.77 3njh s LEU 110 Ca 0.49 0.98 -0.13 0.00 0.02 0.00 0.00 54.13 55.49 3njh s LEU 110 Cb 0.39 -3.41 -0.06 0.00 0.02 0.00 0.00 46.19 43.13 3njh s LEU 110 CO 0.12 0.04 0.95 -0.76 0.02 0.00 0.00 176.35 176.73 3njh s LEU 111 N -2.31 3.53 -0.17 1.79 1.43 -1.26 -4.43 118.68 117.26 3njh s LEU 111 Ca 0.41 1.42 -0.03 0.00 -1.03 0.00 0.00 54.13 54.90 3njh s LEU 111 Cb -0.13 -4.38 -0.02 0.00 0.03 0.00 0.00 46.19 41.69 3njh s LEU 111 CO 0.20 -0.65 -0.06 -0.69 0.23 0.00 0.00 176.35 175.39 3njh s VAL 112 N -2.77 3.54 -0.06 -1.59 1.01 -0.33 -4.96 120.40 115.25 3njh s VAL 112 Ca 0.56 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3njh s VAL 112 Cb -0.10 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3njh s VAL 112 CO 0.39 0.47 -0.08 -0.76 0.00 0.00 0.00 175.10 175.12 3njh s LEU 113 N 0.77 3.08 0.34 3.92 1.43 -1.26 -1.45 118.68 125.50 3njh s LEU 113 Ca -0.02 -0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 52.74 3njh s LEU 113 Cb -0.15 -1.67 -0.09 0.00 0.03 0.00 0.00 46.19 44.31 3njh s LEU 113 CO 0.02 0.36 1.16 -0.94 0.23 0.00 0.00 176.35 177.18 3njh s SER 114 N -0.82 6.88 0.28 2.29 1.04 -1.04 -4.97 113.70 117.37 3njh s SER 114 Ca 0.12 2.37 0.22 0.00 0.48 0.00 0.00 55.95 59.14 3njh s SER 114 Cb -0.11 -2.62 0.12 0.00 0.10 0.00 0.00 66.02 63.50 3njh s SER 114 CO 0.01 -0.42 1.26 1.55 0.98 0.00 0.00 173.24 176.62 3njh h PRO 115 N 3.25 0.00 -4.77 4.02 0.13 -1.96 -3.43 132.00 129.24 3njh h PRO 115 Ca -0.48 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.97 3njh h PRO 115 Cb 1.22 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.03 3njh h PRO 115 CO 0.65 0.06 -0.69 -0.51 -0.23 0.00 0.00 178.00 177.28 3njh s ASP 116 N -5.78 4.91 0.29 1.44 1.01 -1.26 -5.06 116.67 112.21 3njh s ASP 116 Ca 0.02 -1.22 -0.30 0.00 0.71 0.00 0.00 52.55 51.77 3njh s ASP 116 Cb 0.08 -1.73 -0.12 0.00 1.01 0.00 0.00 42.92 42.15 3njh s ASP 116 CO 0.75 -0.26 1.50 -2.65 0.21 0.00 0.00 175.17 174.72 3njh n PRO 117 N 4.65 2.45 -2.61 8.23 -0.02 -1.26 -4.92 135.00 141.52 3njh n PRO 117 Ca -0.13 0.87 -0.40 0.00 -2.02 0.00 0.00 63.50 61.81 3njh n PRO 117 Cb 0.44 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.28 3njh n PRO 117 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3njh s GLN 118 N -0.71 4.71 -0.09 -0.52 -1.52 0.20 -4.82 119.66 116.91 3njh s GLN 118 Ca 0.64 1.63 -0.01 0.00 -1.95 0.00 0.00 55.36 55.67 3njh s GLN 118 Cb -0.55 -3.27 -0.03 0.00 -0.22 0.00 0.00 33.01 28.95 3njh s GLN 118 CO 0.51 0.29 -0.04 0.42 -0.25 0.00 0.00 175.29 176.21 3njh s ILE 119 N -0.80 3.90 -0.11 1.08 1.01 -1.26 -1.24 121.20 123.78 3njh s ILE 119 Ca 0.45 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.72 3njh s ILE 119 Cb -0.28 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 39.57 3njh s ILE 119 CO 0.35 0.58 -0.13 -0.63 0.00 0.00 0.00 174.94 175.10 3njh s ILE 120 N -0.56 1.40 -0.14 2.92 1.01 -0.20 -1.26 121.20 124.36 3njh s ILE 120 Ca 0.09 -0.56 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 3njh s ILE 120 Cb -0.12 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 3njh s ILE 120 CO 0.02 0.42 0.12 0.20 0.00 0.00 0.00 174.94 175.71 3njh s ASN 121 N 1.19 6.22 -0.51 3.58 0.02 -0.14 -0.52 114.94 124.78 3njh s ASN 121 Ca -0.03 0.36 0.04 0.00 -1.02 0.00 0.00 52.86 52.21 3njh s ASN 121 Cb -0.14 -2.03 0.13 0.00 0.02 0.00 0.00 41.25 39.23 3njh s ASN 121 CO -0.04 0.33 0.26 -0.60 0.02 0.00 0.00 177.10 177.07 3njh s ARG 122 N -0.57 1.95 0.88 -0.60 3.00 0.71 -1.42 118.95 122.90 3njh s ARG 122 Ca 0.12 -2.60 -0.11 0.00 -1.00 0.00 0.00 55.73 52.15 3njh s ARG 122 Cb -0.12 -3.29 0.12 0.00 0.00 0.00 0.00 34.95 31.67 3njh s ARG 122 CO 0.02 -1.11 1.10 -1.25 0.00 0.00 0.00 175.30 174.07 3njh s PRO 123 N -0.26 1.32 -0.98 5.12 0.04 -1.25 -1.12 135.00 137.88 3njh s PRO 123 Ca 0.17 1.19 -0.25 0.00 0.04 0.00 0.00 61.00 62.14 3njh s PRO 123 Cb -0.26 -1.79 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 3njh s PRO 123 CO -0.00 -2.30 2.10 -0.65 0.04 0.00 0.00 177.00 176.19 3njh s GLN 124 N -4.79 1.99 0.00 4.56 -0.21 -1.26 -4.74 119.66 115.21 3njh s GLN 124 Ca 0.64 -0.32 0.00 0.00 0.02 0.00 0.00 55.36 55.70 3njh s GLN 124 Cb -0.20 -5.01 0.00 0.00 1.00 0.00 0.00 33.01 28.80 3njh s GLN 124 CO 0.58 -4.27 0.27 0.09 -2.12 0.00 0.00 175.29 169.84