#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nm2 n GLN 2 N 0.00 0.20 -0.94 2.12 6.02 -1.26 -4.99 117.38 118.53 2nm2 n GLN 2 Ca 0.00 -0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.61 2nm2 n GLN 2 Cb 0.00 -1.56 0.06 0.00 1.02 0.00 0.00 30.24 29.75 2nm2 n GLN 2 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2nm2 n ASP 3 N -1.83 -3.41 -3.61 1.08 9.92 -1.26 -4.97 116.55 112.46 2nm2 n ASP 3 Ca 0.03 0.02 -0.01 0.00 -0.53 0.00 0.00 54.79 54.30 2nm2 n ASP 3 Cb 0.41 -0.64 -0.01 0.00 -0.64 0.00 0.00 41.12 40.23 2nm2 n ASP 3 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2nm2 s THR 4 N -2.05 0.00 -0.28 -3.53 -4.23 -1.26 -3.98 115.64 100.31 2nm2 s THR 4 Ca 0.41 -0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.78 2nm2 s THR 4 Cb 0.01 -1.59 0.08 0.00 1.34 0.00 0.00 72.50 72.34 2nm2 s THR 4 CO 0.69 0.00 -0.02 -0.63 -0.54 0.00 0.00 174.62 174.12 2nm2 s ILE 5 N -2.49 1.78 0.01 2.99 1.01 0.41 -4.81 121.20 120.11 2nm2 s ILE 5 Ca 0.12 -1.62 0.01 0.00 0.00 0.00 0.00 60.65 59.16 2nm2 s ILE 5 Cb 0.02 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 2nm2 s ILE 5 CO -0.04 -0.29 0.02 0.72 0.00 0.00 0.00 174.94 175.36 2nm2 s PHE 6 N 1.23 3.12 -0.42 3.97 -0.12 -1.26 -1.55 117.98 122.95 2nm2 s PHE 6 Ca -0.00 0.10 0.02 0.00 -0.05 0.00 0.00 56.93 56.99 2nm2 s PHE 6 Cb -0.19 -1.67 0.13 0.00 -0.63 0.00 0.00 43.02 40.66 2nm2 s PHE 6 CO -0.09 0.49 0.22 -0.51 -0.05 0.00 0.00 175.22 175.28 2nm2 s LEU 7 N -1.74 2.62 0.34 -1.99 1.02 -0.07 -4.96 118.68 113.90 2nm2 s LEU 7 Ca 0.22 -2.50 -0.21 0.00 0.02 0.00 0.00 54.13 51.65 2nm2 s LEU 7 Cb -0.12 -1.01 -0.10 0.00 0.02 0.00 0.00 46.19 44.99 2nm2 s LEU 7 CO 0.13 -0.29 0.87 -0.54 0.02 0.00 0.00 176.35 176.54 2nm2 s LYS 8 N 0.52 4.30 -1.63 1.70 1.02 -1.26 -1.07 119.74 123.32 2nm2 s LYS 8 Ca 0.17 1.06 -0.13 0.00 0.02 0.00 0.00 55.97 57.08 2nm2 s LYS 8 Cb -0.24 -2.54 0.11 0.00 -0.52 0.00 0.00 37.83 34.65 2nm2 s LYS 8 CO -0.02 0.17 0.65 0.41 -0.92 0.00 0.00 175.35 175.64 2nm2 n GLY 9 N 0.01 -0.37 3.64 -3.33 0.00 -0.98 -4.91 105.19 99.26 2nm2 n GLY 9 Ca 0.03 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2nm2 n GLY 9 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nm2 s MET 10 N -6.87 4.01 -0.24 1.61 -1.94 0.77 -4.67 119.30 111.97 2nm2 s MET 10 Ca 0.52 1.76 -0.07 0.00 -1.71 0.00 0.00 55.69 56.19 2nm2 s MET 10 Cb -0.29 -3.94 -0.03 0.00 2.01 0.00 0.00 34.83 32.59 2nm2 s MET 10 CO 0.92 -1.02 0.05 1.03 -0.01 0.00 0.00 175.02 176.00 2nm2 s ARG 11 N 4.18 3.62 -0.04 2.03 0.52 -1.26 0.11 118.95 128.11 2nm2 s ARG 11 Ca 0.66 -0.49 0.07 0.00 -0.52 0.00 0.00 55.73 55.45 2nm2 s ARG 11 Cb -0.26 -3.28 -0.02 0.00 0.52 0.00 0.00 34.95 31.92 2nm2 s ARG 11 CO 0.25 -0.18 -0.24 -0.06 0.02 0.00 0.00 175.30 175.09 2nm2 s PHE 12 N 1.58 2.43 -0.93 -0.53 0.08 -0.10 -4.89 117.98 115.62 2nm2 s PHE 12 Ca 0.06 -0.50 -0.19 0.00 0.12 0.00 0.00 56.93 56.42 2nm2 s PHE 12 Cb -0.15 -1.56 0.12 0.00 -0.57 0.00 0.00 43.02 40.87 2nm2 s PHE 12 CO 0.03 -0.07 1.15 -0.47 -0.10 0.00 0.00 175.22 175.75 2nm2 s TYR 13 N -0.46 3.07 0.26 0.36 5.04 -1.26 0.21 117.35 124.57 2nm2 s TYR 13 Ca 0.05 -1.34 0.00 0.00 -2.44 0.00 0.00 57.07 53.35 2nm2 s TYR 13 Cb -0.11 -4.31 -0.04 0.00 0.35 0.00 0.00 41.96 37.84 2nm2 s TYR 13 CO 0.01 -1.52 0.45 0.20 -1.34 0.00 0.00 175.55 173.35 2nm2 s GLY 14 N 3.74 1.55 -0.16 8.97 0.00 0.56 -4.77 107.32 117.20 2nm2 s GLY 14 Ca 0.33 -0.90 0.16 0.00 0.00 0.00 0.00 44.72 44.31 2nm2 s GLY 14 CO -0.09 -0.85 1.55 -1.72 0.00 0.00 0.00 173.10 171.99 2nm2 n TYR 15 N -1.18 1.35 -1.76 1.90 4.02 -1.26 -0.96 117.16 119.27 2nm2 n TYR 15 Ca -0.05 -0.73 -0.29 0.00 -0.01 0.00 0.00 57.90 56.82 2nm2 n TYR 15 Cb 0.55 -0.32 0.15 0.00 -0.02 0.00 0.00 39.34 39.70 2nm2 n TYR 15 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2nm2 s HIS 16 N -2.36 2.11 0.00 -0.72 3.76 -1.26 -3.45 115.29 113.36 2nm2 s HIS 16 Ca 0.46 0.58 0.00 0.00 -0.15 0.00 0.00 55.06 55.95 2nm2 s HIS 16 Cb 0.34 -3.71 0.00 0.00 1.11 0.00 0.00 32.58 30.32 2nm2 s HIS 16 CO 0.16 -2.43 0.00 0.41 -0.85 0.00 0.00 174.74 172.02 2nm2 n GLY 17 N -3.04 4.05 0.00 -2.22 0.00 0.59 -4.52 105.19 100.06 2nm2 n GLY 17 Ca 0.11 -1.63 0.14 0.00 0.00 0.00 0.00 46.02 44.65 2nm2 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nm2 n ALA 18 N -1.66 2.39 -2.69 4.61 0.00 -0.91 -3.95 120.51 118.30 2nm2 n ALA 18 Ca 0.00 -0.12 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 2nm2 n ALA 18 Cb 0.00 -1.48 -0.10 0.00 0.00 0.00 0.00 19.45 17.88 2nm2 n ALA 18 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2nm2 s LEU 19 N -2.84 4.06 0.53 0.00 2.96 -1.26 -4.96 118.68 117.18 2nm2 s LEU 19 Ca 0.19 0.09 0.26 0.00 -0.22 0.00 0.00 54.13 54.46 2nm2 s LEU 19 Cb 0.19 -2.09 1.42 0.00 0.50 0.00 0.00 46.19 46.21 2nm2 s LEU 19 CO 0.50 0.07 1.98 0.28 -1.32 0.00 0.00 176.35 177.86 2nm2 h SER 20 N 7.49 0.00 0.54 3.68 0.02 -2.00 -1.91 113.55 121.38 2nm2 h SER 20 Ca -0.38 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 2nm2 h SER 20 Cb 1.17 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.72 2nm2 h SER 20 CO 0.65 0.00 -0.26 0.00 -1.14 0.00 0.00 176.83 176.09 2nm2 h ALA 21 N 1.70 -0.87 -0.66 3.77 0.00 -1.96 -3.17 119.26 118.06 2nm2 h ALA 21 Ca 0.28 -0.16 0.21 0.00 0.00 0.00 0.00 54.91 55.24 2nm2 h ALA 21 Cb 1.12 0.28 -0.12 0.00 0.00 0.00 0.00 17.79 19.07 2nm2 h ALA 21 CO -0.00 -0.82 0.11 0.39 0.00 0.00 0.00 179.25 178.93 2nm2 n GLU 22 N -4.66 -0.05 0.00 0.00 1.02 -0.73 0.27 120.64 116.50 2nm2 n GLU 22 Ca -0.09 0.97 0.04 0.00 -0.02 0.00 0.00 57.16 58.06 2nm2 n GLU 22 Cb 0.29 -1.59 0.17 0.00 -0.02 0.00 0.00 31.44 30.28 2nm2 n GLU 22 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2nm2 n ASN 23 N -4.77 0.00 -0.09 1.62 5.03 -1.13 0.03 115.26 115.96 2nm2 n ASN 23 Ca 0.18 0.43 -0.11 0.00 0.87 0.00 0.00 54.58 55.96 2nm2 n ASN 23 Cb 0.61 -0.45 -0.10 0.00 -1.02 0.00 0.00 39.78 38.81 2nm2 n ASN 23 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2nm2 n GLU 24 N -1.45 0.98 0.10 3.52 2.13 0.78 -4.69 120.64 122.01 2nm2 n GLU 24 Ca 0.02 0.05 -0.05 0.00 0.66 0.00 0.00 57.16 57.84 2nm2 n GLU 24 Cb 0.08 -1.39 -0.03 0.00 0.27 0.00 0.00 31.44 30.38 2nm2 n GLU 24 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2nm2 h ILE 25 N 0.00 0.00 0.00 6.31 2.04 -0.95 -3.51 117.51 121.40 2nm2 h ILE 25 Ca -0.42 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 64.78 2nm2 h ILE 25 Cb 1.80 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2nm2 h ILE 25 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.74 2nm2 n GLY 26 N 0.85 0.61 3.59 5.37 0.00 0.10 -5.05 105.19 110.67 2nm2 n GLY 26 Ca -0.04 -1.82 -0.05 0.00 0.00 0.00 0.00 46.02 44.11 2nm2 n GLY 26 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2nm2 s GLN 27 N -2.44 0.37 0.33 1.61 -2.07 -0.13 -4.99 119.66 112.33 2nm2 s GLN 27 Ca 0.00 -0.11 -0.27 0.00 -1.82 0.00 0.00 55.36 53.16 2nm2 s GLN 27 Cb 0.00 0.17 -0.09 0.00 -1.09 0.00 0.00 33.01 32.00 2nm2 s GLN 27 CO 0.00 -0.16 1.10 0.42 -1.32 0.00 0.00 175.29 175.34 2nm2 s ILE 28 N -2.32 3.48 -0.21 3.63 -1.09 -1.26 -0.33 121.20 123.10 2nm2 s ILE 28 Ca 0.08 1.36 0.02 0.00 -2.23 0.00 0.00 60.65 59.88 2nm2 s ILE 28 Cb -0.01 -3.82 0.04 0.00 -1.58 0.00 0.00 42.46 37.09 2nm2 s ILE 28 CO -0.05 0.23 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.39 2nm2 s PHE 29 N -1.32 2.81 -0.24 3.97 0.40 0.55 -4.62 117.98 119.53 2nm2 s PHE 29 Ca 0.50 -1.84 -0.17 0.00 -0.60 0.00 0.00 56.93 54.82 2nm2 s PHE 29 Cb -0.30 -1.83 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 2nm2 s PHE 29 CO 0.38 -0.81 0.48 0.21 0.70 0.00 0.00 175.22 176.18 2nm2 s LYS 30 N 1.27 4.10 -0.09 0.44 2.20 -1.19 -0.92 119.74 125.55 2nm2 s LYS 30 Ca -0.01 0.28 0.02 0.00 -0.36 0.00 0.00 55.97 55.89 2nm2 s LYS 30 Cb -0.16 -3.61 -0.02 0.00 -1.51 0.00 0.00 37.83 32.52 2nm2 s LYS 30 CO -0.09 -0.25 -0.13 0.08 -0.36 0.00 0.00 175.35 174.60 2nm2 s VAL 31 N 1.97 3.10 -0.02 4.02 1.01 0.30 -0.74 120.40 130.05 2nm2 s VAL 31 Ca 0.21 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2nm2 s VAL 31 Cb -0.15 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2nm2 s VAL 31 CO 0.09 0.56 0.02 -1.81 0.00 0.00 0.00 175.10 173.96 2nm2 s ASP 32 N -0.20 5.27 0.02 3.32 1.11 0.12 -0.17 116.67 126.14 2nm2 s ASP 32 Ca 0.00 0.06 0.00 0.00 0.18 0.00 0.00 52.55 52.79 2nm2 s ASP 32 Cb -0.13 -1.43 -0.01 0.00 1.07 0.00 0.00 42.92 42.41 2nm2 s ASP 32 CO 0.03 0.30 -0.02 -0.69 1.18 0.00 0.00 175.17 175.97 2nm2 s VAL 33 N -1.07 0.10 -0.41 -1.27 1.01 -0.23 -2.06 120.40 116.47 2nm2 s VAL 33 Ca 0.19 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.55 2nm2 s VAL 33 Cb -0.12 -0.21 0.17 0.00 0.00 0.00 0.00 36.38 36.22 2nm2 s VAL 33 CO 0.09 -0.36 0.56 -0.89 0.00 0.00 0.00 175.10 174.50 2nm2 s THR 34 N -1.08 -0.76 -0.14 3.92 2.01 -0.81 -0.89 115.64 117.89 2nm2 s THR 34 Ca -0.12 -0.53 -0.21 0.00 0.31 0.00 0.00 61.69 61.15 2nm2 s THR 34 Cb -0.07 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 2nm2 s THR 34 CO -0.01 -0.22 0.61 -0.76 -0.69 0.00 0.00 174.62 173.55 2nm2 s LEU 35 N 1.52 4.22 -0.63 4.42 1.43 -0.59 -3.10 118.68 125.94 2nm2 s LEU 35 Ca 0.19 0.92 -0.27 0.00 -1.03 0.00 0.00 54.13 53.94 2nm2 s LEU 35 Cb -0.06 -2.89 0.04 0.00 0.03 0.00 0.00 46.19 43.30 2nm2 s LEU 35 CO -0.06 -0.16 1.16 -0.54 0.23 0.00 0.00 176.35 176.98 2nm2 s LYS 36 N 1.30 3.35 -0.15 1.70 1.02 0.31 -0.44 119.74 126.82 2nm2 s LYS 36 Ca 0.30 -0.08 0.02 0.00 0.02 0.00 0.00 55.97 56.23 2nm2 s LYS 36 Cb -0.16 -4.09 0.02 0.00 -0.52 0.00 0.00 37.83 33.07 2nm2 s LYS 36 CO 0.12 -1.81 -0.20 0.08 -0.92 0.00 0.00 175.35 172.62 2nm2 s VAL 37 N 4.97 1.98 -0.71 3.17 1.01 -1.26 -0.85 120.40 128.71 2nm2 s VAL 37 Ca 0.37 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 61.18 2nm2 s VAL 37 Cb -0.09 -1.77 -0.08 0.00 0.00 0.00 0.00 36.38 34.43 2nm2 s VAL 37 CO 0.20 0.53 2.22 -0.62 0.00 0.00 0.00 175.10 177.43 2nm2 s ASP 38 N 1.08 4.52 -0.67 3.32 -1.08 -1.26 -4.06 116.67 118.52 2nm2 s ASP 38 Ca -0.01 0.19 -0.03 0.00 -0.52 0.00 0.00 52.55 52.18 2nm2 s ASP 38 Cb -0.14 -2.54 0.15 0.00 -1.46 0.00 0.00 42.92 38.93 2nm2 s ASP 38 CO -0.07 -3.14 2.50 0.18 0.52 0.00 0.00 175.17 175.16 2nm2 n LEU 39 N 16.00 6.95 -0.01 -1.34 4.77 -1.26 -4.64 117.00 137.46 2nm2 n LEU 39 Ca 0.39 -4.41 -0.00 0.00 -0.03 0.00 0.00 56.01 51.95 2nm2 n LEU 39 Cb 0.48 -1.20 -0.00 0.00 -2.33 0.00 0.00 43.42 40.37 2nm2 n LEU 39 CO 0.62 1.79 0.01 0.28 -1.33 0.00 0.00 177.39 178.76 2nm2 h SER 40 N 3.22 -0.01 -0.06 -1.43 0.02 -1.91 -3.33 113.55 110.05 2nm2 h SER 40 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 2nm2 h SER 40 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2nm2 h SER 40 CO 1.09 0.14 0.00 1.21 -1.14 0.00 0.00 176.83 178.14 2nm2 n GLU 41 N -2.85 1.54 -0.05 3.45 2.13 -1.26 -2.47 120.64 121.13 2nm2 n GLU 41 Ca -0.00 -0.80 -0.16 0.00 0.66 0.00 0.00 57.16 56.86 2nm2 n GLU 41 Cb 0.00 -1.44 -0.05 0.00 0.27 0.00 0.00 31.44 30.22 2nm2 n GLU 41 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nm2 h ALA 42 N 4.14 0.40 0.03 4.31 0.00 -1.73 -1.72 119.26 124.69 2nm2 h ALA 42 Ca 0.00 -0.56 -0.25 0.00 0.00 0.00 0.00 54.91 54.10 2nm2 h ALA 42 Cb 0.39 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2nm2 h ALA 42 CO 0.00 0.68 -1.29 0.78 0.00 0.00 0.00 179.25 179.42 2nm2 h GLY 43 N 0.64 0.07 0.00 0.00 0.00 -1.66 -2.81 103.07 99.31 2nm2 h GLY 43 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2nm2 h GLY 43 CO 0.14 0.15 0.00 -2.13 0.00 0.00 0.00 176.54 174.70 2nm2 n ARG 44 N -3.30 0.00 0.35 4.80 0.63 -1.03 -3.84 116.66 114.27 2nm2 n ARG 44 Ca -0.08 0.65 -0.14 0.00 -0.92 0.00 0.00 57.85 57.36 2nm2 n ARG 44 Cb 0.99 -1.49 -0.07 0.00 0.45 0.00 0.00 32.46 32.34 2nm2 n ARG 44 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 2nm2 h THR 45 N 0.00 0.00 0.00 5.15 1.35 -1.49 -3.48 112.91 114.45 2nm2 h THR 45 Ca 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2nm2 h THR 45 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 2nm2 h THR 45 CO 0.00 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.74 2nm2 n ASP 46 N -4.79 0.00 -4.28 5.36 9.92 -1.06 -5.09 116.55 116.61 2nm2 n ASP 46 Ca -0.11 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.77 2nm2 n ASP 46 Cb 0.36 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.72 2nm2 n ASP 46 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 2nm2 s ASN 47 N -2.00 5.37 0.65 -2.24 0.01 -1.25 -4.96 114.94 110.51 2nm2 s ASN 47 Ca 0.00 -1.17 0.26 0.00 -0.71 0.00 0.00 52.86 51.24 2nm2 s ASN 47 Cb 0.00 -1.89 1.41 0.00 0.41 0.00 0.00 41.25 41.18 2nm2 s ASN 47 CO 0.00 -0.35 1.80 1.62 -1.51 0.00 0.00 177.10 178.66 2nm2 h VAL 48 N 6.15 0.09 0.00 1.60 3.04 -1.91 0.55 116.25 125.76 2nm2 h VAL 48 Ca -0.23 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 2nm2 h VAL 48 Cb 1.08 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 2nm2 h VAL 48 CO 0.62 0.00 0.00 2.30 -1.01 0.00 0.00 177.57 179.48 2nm2 n ILE 49 N -3.06 1.22 -1.36 3.17 -6.64 -1.26 -0.23 119.36 111.21 2nm2 n ILE 49 Ca 0.01 0.48 -0.19 0.00 -1.77 0.00 0.00 62.75 61.28 2nm2 n ILE 49 Cb 0.54 -1.42 0.17 0.00 -1.44 0.00 0.00 39.64 37.49 2nm2 n ILE 49 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 2nm2 n ASP 50 N -1.94 3.87 -3.66 7.28 -0.08 0.19 -4.97 116.55 117.25 2nm2 n ASP 50 Ca 0.01 -3.70 0.01 0.00 -1.51 0.00 0.00 54.79 49.59 2nm2 n ASP 50 Cb 0.10 -0.77 0.01 0.00 2.34 0.00 0.00 41.12 42.80 2nm2 n ASP 50 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2nm2 n THR 51 N -1.09 0.00 -3.53 5.18 5.66 0.68 -3.80 114.28 117.38 2nm2 n THR 51 Ca 0.51 -0.26 -0.37 0.00 -3.05 0.00 0.00 64.05 60.87 2nm2 n THR 51 Cb 1.30 0.62 -0.09 0.00 -1.55 0.00 0.00 70.33 70.61 2nm2 n THR 51 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2nm2 s VAL 52 N -2.03 5.28 -0.48 1.08 1.01 -1.26 -4.93 120.40 119.07 2nm2 s VAL 52 Ca 0.28 0.41 -0.29 0.00 0.00 0.00 0.00 61.98 62.39 2nm2 s VAL 52 Cb -0.01 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.78 2nm2 s VAL 52 CO 0.01 0.28 1.25 -2.28 0.00 0.00 0.00 175.10 174.36 2nm2 s HIS 53 N 1.32 2.62 0.34 5.22 2.46 -1.26 -4.86 115.29 121.13 2nm2 s HIS 53 Ca 0.12 0.64 0.07 0.00 0.47 0.00 0.00 55.06 56.37 2nm2 s HIS 53 Cb -0.14 -4.42 0.77 0.00 -0.13 0.00 0.00 32.58 28.66 2nm2 s HIS 53 CO 0.07 -1.57 1.86 0.10 -2.47 0.00 0.00 174.74 172.73 2nm2 h TYR 54 N 9.84 0.88 -0.61 3.88 -0.00 -1.99 -1.51 116.97 127.46 2nm2 h TYR 54 Ca -0.25 0.03 0.13 0.00 0.00 0.00 0.00 58.73 58.63 2nm2 h TYR 54 Cb 1.07 -0.28 -0.10 0.00 0.00 0.00 0.00 36.73 37.42 2nm2 h TYR 54 CO 0.99 0.33 0.01 0.78 -0.00 0.00 0.00 178.16 180.27 2nm2 h GLY 55 N 0.75 0.66 0.98 0.10 0.00 -1.99 0.87 103.07 104.44 2nm2 h GLY 55 Ca 0.46 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.86 2nm2 h GLY 55 CO -0.22 -0.19 0.26 0.83 0.00 0.00 0.00 176.54 177.22 2nm2 h GLU 56 N 0.12 0.60 -0.89 4.80 5.08 -1.69 -1.24 114.58 121.37 2nm2 h GLU 56 Ca 0.32 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.71 2nm2 h GLU 56 Cb 0.52 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 2nm2 h GLU 56 CO -0.52 0.45 0.54 0.28 -1.00 0.00 0.00 179.01 178.76 2nm2 h VAL 57 N 0.58 0.98 0.83 3.13 2.07 -0.34 -0.94 116.25 122.56 2nm2 h VAL 57 Ca 0.16 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 2nm2 h VAL 57 Cb 0.00 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.73 2nm2 h VAL 57 CO -0.03 0.17 -0.48 0.15 0.02 0.00 0.00 177.57 177.40 2nm2 h PHE 58 N 0.94 -1.28 0.00 1.57 3.04 0.17 -1.07 116.94 120.31 2nm2 h PHE 58 Ca 0.41 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.34 2nm2 h PHE 58 Cb 0.28 0.45 0.00 0.00 2.56 0.00 0.00 35.95 39.24 2nm2 h PHE 58 CO -0.03 -0.73 0.18 0.93 -2.02 0.00 0.00 178.31 176.63 2nm2 h GLU 59 N -1.22 0.00 0.01 1.11 4.39 -0.85 0.34 114.58 118.36 2nm2 h GLU 59 Ca -0.11 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.32 2nm2 h GLU 59 Cb 0.97 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.58 2nm2 h GLU 59 CO 0.13 0.00 -1.46 0.93 -1.16 0.00 0.00 179.01 177.45 2nm2 h GLU 60 N 0.00 0.02 -0.07 2.33 4.39 -0.72 -2.45 114.58 118.09 2nm2 h GLU 60 Ca 0.00 -0.03 -0.23 0.00 0.34 0.00 0.00 59.36 59.44 2nm2 h GLU 60 Cb 0.35 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2nm2 h GLU 60 CO 0.00 0.72 -0.88 0.28 -1.16 0.00 0.00 179.01 177.97 2nm2 h VAL 61 N 0.01 1.32 -0.15 3.13 2.07 0.66 -3.23 116.25 120.05 2nm2 h VAL 61 Ca -0.19 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.15 2nm2 h VAL 61 Cb 1.93 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 33.90 2nm2 h VAL 61 CO 0.10 0.67 0.10 0.50 0.02 0.00 0.00 177.57 178.96 2nm2 h LYS 62 N 0.39 0.20 -0.74 1.57 3.64 -0.54 -1.66 116.57 119.43 2nm2 h LYS 62 Ca -0.08 -0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.44 2nm2 h LYS 62 Cb 1.50 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.23 2nm2 h LYS 62 CO 0.17 0.14 0.50 0.66 -2.27 0.00 0.00 179.45 178.64 2nm2 h SER 63 N 0.20 0.36 0.31 4.20 4.64 -1.48 0.15 113.55 121.94 2nm2 h SER 63 Ca 0.06 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 2nm2 h SER 63 Cb -0.02 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2nm2 h SER 63 CO -0.01 0.19 -0.15 0.40 -0.87 0.00 0.00 176.83 176.39 2nm2 h ILE 64 N 0.39 0.00 -0.73 0.95 1.08 -1.46 -2.86 117.51 114.88 2nm2 h ILE 64 Ca 0.36 -0.30 0.05 0.00 -0.39 0.00 0.00 64.86 64.58 2nm2 h ILE 64 Cb 0.86 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 2nm2 h ILE 64 CO -0.11 0.00 0.44 0.24 -0.69 0.00 0.00 178.15 178.03 2nm2 h MET 65 N -0.71 0.80 -0.09 2.37 2.86 -0.97 -0.49 114.93 118.70 2nm2 h MET 65 Ca -0.04 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2nm2 h MET 65 Cb 0.32 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2nm2 h MET 65 CO 0.07 0.53 0.00 0.39 1.06 0.00 0.00 176.91 178.96 2nm2 n GLU 66 N -4.70 1.26 0.00 1.72 -0.58 0.51 -4.60 120.64 114.25 2nm2 n GLU 66 Ca 0.09 -0.41 0.00 0.00 -0.42 0.00 0.00 57.16 56.43 2nm2 n GLU 66 Cb 0.14 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 2nm2 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2nm2 n GLY 67 N 0.79 -1.22 3.86 0.62 0.00 -0.19 -5.02 105.19 104.03 2nm2 n GLY 67 Ca 0.09 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 2nm2 n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nm2 s LYS 68 N 0.00 3.78 0.50 1.61 -2.85 -1.26 -4.89 119.74 116.63 2nm2 s LYS 68 Ca 0.00 0.71 -0.22 0.00 -1.00 0.00 0.00 55.97 55.46 2nm2 s LYS 68 Cb 0.00 -2.21 -0.06 0.00 -2.06 0.00 0.00 37.83 33.50 2nm2 s LYS 68 CO 0.00 -0.28 1.24 0.00 0.10 0.00 0.00 175.35 176.41 2nm2 s ALA 69 N -2.71 2.89 0.34 0.59 0.00 -1.26 -4.97 121.76 116.64 2nm2 s ALA 69 Ca 0.55 1.09 0.05 0.00 0.00 0.00 0.00 51.96 53.65 2nm2 s ALA 69 Cb -0.10 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 2nm2 s ALA 69 CO 0.38 -0.97 0.20 0.14 0.00 0.00 0.00 175.76 175.51 2nm2 s VAL 70 N -1.46 0.26 -0.21 0.00 -7.23 -1.26 -4.99 120.40 105.51 2nm2 s VAL 70 Ca 0.67 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.71 2nm2 s VAL 70 Cb -0.33 -2.46 -0.19 0.00 0.56 0.00 0.00 36.38 33.97 2nm2 s VAL 70 CO 0.40 0.00 0.05 0.59 -0.31 0.00 0.00 175.10 175.83 2nm2 n ASN 71 N -1.26 1.96 -4.93 4.85 4.13 -1.25 -0.30 115.26 118.46 2nm2 n ASN 71 Ca 0.02 0.29 -0.25 0.00 1.68 0.00 0.00 54.58 56.31 2nm2 n ASN 71 Cb 0.64 -0.84 -0.01 0.00 -1.54 0.00 0.00 39.78 38.03 2nm2 n ASN 71 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2nm2 s LEU 72 N -7.44 3.83 0.13 3.41 1.43 -1.26 -2.13 118.68 116.64 2nm2 s LEU 72 Ca -0.31 0.62 0.07 0.00 -1.03 0.00 0.00 54.13 53.49 2nm2 s LEU 72 Cb 0.09 -3.51 -0.20 0.00 0.03 0.00 0.00 46.19 42.60 2nm2 s LEU 72 CO 0.61 -0.45 1.28 -0.07 0.23 0.00 0.00 176.35 177.95 2nm2 h LEU 73 N 0.51 0.00 -1.24 1.79 3.38 -1.94 -3.27 115.31 114.53 2nm2 h LEU 73 Ca -0.48 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.55 2nm2 h LEU 73 Cb 1.22 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 2nm2 h LEU 73 CO 0.61 0.97 0.54 -0.33 0.09 0.00 0.00 178.44 180.32 2nm2 h GLU 74 N 0.00 0.90 -0.15 1.13 3.07 -1.96 0.25 114.58 117.81 2nm2 h GLU 74 Ca -0.01 -0.05 -0.18 0.00 -0.50 0.00 0.00 59.36 58.62 2nm2 h GLU 74 Cb 1.75 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 29.46 2nm2 h GLU 74 CO 0.13 0.59 -0.63 1.25 -1.40 0.00 0.00 179.01 178.95 2nm2 h HIS 75 N 0.92 0.71 -0.29 4.33 2.76 -1.97 -1.68 115.15 119.92 2nm2 h HIS 75 Ca 0.35 -0.28 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 2nm2 h HIS 75 Cb 0.20 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 2nm2 h HIS 75 CO -0.00 1.03 0.02 -0.07 -1.30 0.00 0.00 177.93 177.61 2nm2 h LEU 76 N 0.40 0.49 -1.23 0.26 3.38 -1.31 0.16 115.31 117.46 2nm2 h LEU 76 Ca -0.01 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 2nm2 h LEU 76 Cb 1.20 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2nm2 h LEU 76 CO 0.12 0.66 -0.31 0.00 0.09 0.00 0.00 178.44 179.00 2nm2 h ALA 77 N 0.85 1.36 0.10 1.53 0.00 -0.55 -2.28 119.26 120.28 2nm2 h ALA 77 Ca 0.09 -0.31 -0.28 0.00 0.00 0.00 0.00 54.91 54.40 2nm2 h ALA 77 Cb 0.39 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.14 2nm2 h ALA 77 CO 0.01 0.46 -1.16 1.49 0.00 0.00 0.00 179.25 180.04 2nm2 h GLU 78 N 0.11 0.61 0.00 0.00 4.57 -0.93 0.60 114.58 119.54 2nm2 h GLU 78 Ca 0.02 -0.79 -0.02 0.00 -1.18 0.00 0.00 59.36 57.39 2nm2 h GLU 78 Cb 0.61 0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 29.45 2nm2 h GLU 78 CO 0.04 1.35 -0.09 0.00 -1.18 0.00 0.00 179.01 179.14 2nm2 h ARG 79 N 0.23 0.00 0.00 1.92 3.08 -0.60 0.43 114.38 119.44 2nm2 h ARG 79 Ca -0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2nm2 h ARG 79 Cb 1.84 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.89 2nm2 h ARG 79 CO 0.22 0.09 -0.22 0.82 -1.07 0.00 0.00 179.97 179.81 2nm2 h ILE 80 N 0.00 0.18 -0.93 2.04 2.04 -1.28 -2.87 117.51 116.68 2nm2 h ILE 80 Ca -0.00 -1.15 0.20 0.00 1.00 0.00 0.00 64.86 64.90 2nm2 h ILE 80 Cb 0.28 0.35 -0.11 0.00 -0.74 0.00 0.00 36.82 36.61 2nm2 h ILE 80 CO 0.01 0.06 0.50 0.00 0.00 0.00 0.00 178.15 178.72 2nm2 h ALA 81 N -0.90 1.52 -0.51 1.87 0.00 0.38 0.80 119.26 122.42 2nm2 h ALA 81 Ca -0.02 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2nm2 h ALA 81 Cb 0.29 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2nm2 h ALA 81 CO -0.01 -0.18 0.21 -0.97 0.00 0.00 0.00 179.25 178.30 2nm2 h ASN 82 N 0.59 0.70 -0.10 0.00 -0.00 -0.29 -1.41 115.58 115.08 2nm2 h ASN 82 Ca 0.55 -0.17 0.04 0.00 -0.00 0.00 0.00 56.30 56.72 2nm2 h ASN 82 Cb 0.93 -0.18 -0.05 0.00 -0.00 0.00 0.00 38.32 39.02 2nm2 h ASN 82 CO -0.43 0.68 -0.17 -0.09 -0.00 0.00 0.00 177.43 177.42 2nm2 h ARG 83 N 0.68 -0.22 0.15 6.67 9.65 -0.62 -0.90 114.38 129.79 2nm2 h ARG 83 Ca 0.17 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.06 2nm2 h ARG 83 Cb 0.19 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2nm2 h ARG 83 CO -0.01 -0.14 -0.07 0.82 2.80 0.00 0.00 179.97 183.36 2nm2 h ILE 84 N -0.22 0.95 -0.86 1.20 1.08 -1.33 -3.02 117.51 115.30 2nm2 h ILE 84 Ca 0.09 -0.42 0.19 0.00 -0.39 0.00 0.00 64.86 64.33 2nm2 h ILE 84 Cb 0.35 1.20 -0.06 0.00 -3.07 0.00 0.00 36.82 35.24 2nm2 h ILE 84 CO -0.23 0.10 0.57 0.78 -0.69 0.00 0.00 178.15 178.68 2nm2 h ASN 85 N -0.40 0.39 -0.98 1.72 2.35 -1.12 0.47 115.58 118.01 2nm2 h ASN 85 Ca -0.02 0.04 -0.55 0.00 -0.55 0.00 0.00 56.30 55.21 2nm2 h ASN 85 Cb 0.32 -0.04 -0.30 0.00 0.05 0.00 0.00 38.32 38.35 2nm2 h ASN 85 CO 0.03 0.17 0.70 -1.54 -1.65 0.00 0.00 177.43 175.15 2nm2 n SER 86 N -4.49 4.74 0.00 5.81 3.41 -0.36 -4.33 113.62 118.40 2nm2 n SER 86 Ca 0.18 -3.63 0.00 0.00 -0.26 0.00 0.00 58.87 55.16 2nm2 n SER 86 Cb 0.66 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 2nm2 n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nm2 n GLN 87 N -1.06 2.30 -3.74 4.33 1.13 0.06 -4.99 117.38 115.41 2nm2 n GLN 87 Ca 0.60 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 55.37 2nm2 n GLN 87 Cb 1.40 -0.36 -0.16 0.00 0.11 0.00 0.00 30.24 31.24 2nm2 n GLN 87 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2nm2 s TYR 88 N -0.46 1.34 -0.03 1.08 1.51 -0.59 -4.90 117.35 115.28 2nm2 s TYR 88 Ca 0.00 -1.22 0.30 0.00 -1.01 0.00 0.00 57.07 55.14 2nm2 s TYR 88 Cb 0.00 -1.29 1.41 0.00 -0.11 0.00 0.00 41.96 41.97 2nm2 s TYR 88 CO 0.00 -0.72 1.91 -2.95 -1.11 0.00 0.00 175.55 172.68 2nm2 h ASN 89 N 8.18 0.00 -0.76 2.29 -1.07 -1.87 -2.10 115.58 120.24 2nm2 h ASN 89 Ca -0.16 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.21 2nm2 h ASN 89 Cb 1.08 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.29 2nm2 h ASN 89 CO 0.39 0.00 0.48 0.03 0.07 0.00 0.00 177.43 178.40 2nm2 h ARG 90 N 0.00 1.02 -6.50 4.14 2.47 -1.96 -3.40 114.38 110.15 2nm2 h ARG 90 Ca 0.00 -0.08 -0.56 0.00 -1.26 0.00 0.00 59.98 58.08 2nm2 h ARG 90 Cb 0.28 -0.22 -0.06 0.00 -1.65 0.00 0.00 29.97 28.33 2nm2 h ARG 90 CO 0.00 0.71 1.08 0.08 0.56 0.00 0.00 179.97 182.40 2nm2 s VAL 91 N -6.03 3.87 0.16 2.04 1.01 -0.79 -4.25 120.40 116.42 2nm2 s VAL 91 Ca -0.13 0.85 -0.08 0.00 0.00 0.00 0.00 61.98 62.62 2nm2 s VAL 91 Cb 0.15 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2nm2 s VAL 91 CO 0.79 -0.89 1.49 0.24 0.00 0.00 0.00 175.10 176.73 2nm2 h MET 92 N 10.81 0.81 -2.93 2.72 2.86 -1.21 -3.43 114.93 124.57 2nm2 h MET 92 Ca -0.27 -0.45 -0.13 0.00 -2.06 0.00 0.00 59.70 56.80 2nm2 h MET 92 Cb 1.10 0.02 -0.22 0.00 0.06 0.00 0.00 31.60 32.56 2nm2 h MET 92 CO 1.12 1.08 -0.28 -2.00 1.06 0.00 0.00 176.91 177.89 2nm2 s GLU 93 N -4.28 0.54 0.29 1.72 2.12 -1.23 -2.79 118.70 115.06 2nm2 s GLU 93 Ca -0.10 0.18 0.08 0.00 0.36 0.00 0.00 54.97 55.49 2nm2 s GLU 93 Cb 0.11 0.25 -0.04 0.00 0.26 0.00 0.00 34.13 34.72 2nm2 s GLU 93 CO 0.87 -0.12 0.13 0.99 -0.54 0.00 0.00 175.26 176.59 2nm2 s THR 94 N -0.53 3.70 -0.27 -1.70 2.01 0.46 -0.53 115.64 118.78 2nm2 s THR 94 Ca -0.06 -1.63 -0.01 0.00 0.31 0.00 0.00 61.69 60.30 2nm2 s THR 94 Cb -0.04 -3.10 0.15 0.00 0.01 0.00 0.00 72.50 69.53 2nm2 s THR 94 CO 0.02 -0.30 0.43 -0.75 -0.69 0.00 0.00 174.62 173.33 2nm2 s LYS 95 N -3.80 0.41 0.01 4.92 2.20 -1.18 -1.88 119.74 120.42 2nm2 s LYS 95 Ca 0.34 0.50 0.03 0.00 -0.36 0.00 0.00 55.97 56.48 2nm2 s LYS 95 Cb -0.06 -0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.00 2nm2 s LYS 95 CO 0.23 -0.77 -0.05 0.08 -0.36 0.00 0.00 175.35 174.48 2nm2 s VAL 96 N 2.61 3.77 -0.07 4.02 1.01 -0.55 -1.93 120.40 129.27 2nm2 s VAL 96 Ca 0.13 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 2nm2 s VAL 96 Cb -0.14 -2.67 0.04 0.00 0.00 0.00 0.00 36.38 33.61 2nm2 s VAL 96 CO -0.21 0.36 0.14 -0.60 0.00 0.00 0.00 175.10 174.79 2nm2 s ARG 97 N -1.54 0.08 -0.53 2.72 3.52 -0.87 0.11 118.95 122.43 2nm2 s ARG 97 Ca 0.18 0.39 0.04 0.00 -0.13 0.00 0.00 55.73 56.21 2nm2 s ARG 97 Cb -0.11 -0.20 0.15 0.00 -1.56 0.00 0.00 34.95 33.23 2nm2 s ARG 97 CO 0.09 -0.19 0.33 0.42 -0.81 0.00 0.00 175.30 175.15 2nm2 s ILE 98 N 1.33 1.88 0.84 4.11 1.01 -0.71 0.12 121.20 129.77 2nm2 s ILE 98 Ca -0.07 -3.21 -0.11 0.00 0.00 0.00 0.00 60.65 57.25 2nm2 s ILE 98 Cb -0.12 -2.28 0.10 0.00 0.01 0.00 0.00 42.46 40.18 2nm2 s ILE 98 CO -0.06 -0.97 1.15 -0.89 0.00 0.00 0.00 174.94 174.17 2nm2 s THR 99 N -0.34 2.43 -0.25 2.92 2.01 0.08 -3.95 115.64 118.54 2nm2 s THR 99 Ca 0.22 0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.37 2nm2 s THR 99 Cb -0.14 -2.41 0.08 0.00 0.01 0.00 0.00 72.50 70.03 2nm2 s THR 99 CO -0.08 -0.17 0.03 -0.75 -0.69 0.00 0.00 174.62 172.96 2nm2 s LYS 100 N -4.54 0.99 0.00 4.92 2.20 0.54 -3.17 119.74 120.69 2nm2 s LYS 100 Ca 0.67 -0.88 0.23 0.00 -0.36 0.00 0.00 55.97 55.64 2nm2 s LYS 100 Cb -0.23 -2.27 0.14 0.00 -1.51 0.00 0.00 37.83 33.96 2nm2 s LYS 100 CO 0.54 -0.76 1.20 0.39 -0.36 0.00 0.00 175.35 176.36 2nm2 n GLU 101 N 4.83 1.64 -2.77 4.03 1.02 -1.26 -0.79 120.64 127.34 2nm2 n GLU 101 Ca -0.07 -1.33 -0.10 0.00 -0.02 0.00 0.00 57.16 55.64 2nm2 n GLU 101 Cb 0.44 -1.47 0.04 0.00 -0.02 0.00 0.00 31.44 30.43 2nm2 n GLU 101 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2nm2 n ASN 102 N 0.48 0.65 -4.96 1.62 3.02 -1.26 -4.81 115.26 110.00 2nm2 n ASN 102 Ca 0.12 -2.77 -0.22 0.00 -0.03 0.00 0.00 54.58 51.67 2nm2 n ASN 102 Cb 0.51 -0.20 0.02 0.00 -0.61 0.00 0.00 39.78 39.50 2nm2 n ASN 102 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2nm2 s PRO 103 N -2.34 2.91 -1.01 3.52 0.04 -1.26 -4.97 135.00 131.88 2nm2 s PRO 103 Ca 0.28 -0.61 -0.23 0.00 0.04 0.00 0.00 61.00 60.48 2nm2 s PRO 103 Cb 0.42 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2nm2 s PRO 103 CO -0.01 -0.39 1.87 -1.25 0.04 0.00 0.00 177.00 177.26 2nm2 s PRO 104 N -4.60 2.76 -0.25 0.56 0.04 -1.26 -4.85 135.00 127.40 2nm2 s PRO 104 Ca 0.51 -0.73 -0.02 0.00 0.04 0.00 0.00 61.00 60.80 2nm2 s PRO 104 Cb -0.10 -5.18 0.12 0.00 0.04 0.00 0.00 34.50 29.39 2nm2 s PRO 104 CO 0.38 -3.31 0.31 0.42 0.04 0.00 0.00 177.00 174.83 2nm2 s ILE 105 N 9.30 -0.46 -0.70 0.56 1.09 -1.26 -5.08 121.20 124.65 2nm2 s ILE 105 Ca 0.65 -0.23 -0.26 0.00 -1.10 0.00 0.00 60.65 59.71 2nm2 s ILE 105 Cb -0.04 -0.84 -0.10 0.00 -1.06 0.00 0.00 42.46 40.42 2nm2 s ILE 105 CO 0.02 -0.27 2.36 -2.84 -0.10 0.00 0.00 174.94 174.11 2nm2 s PRO 106 N 2.42 1.86 0.00 2.79 0.02 -1.26 -4.76 135.00 136.07 2nm2 s PRO 106 Ca 0.10 0.73 0.00 0.00 0.02 0.00 0.00 61.00 61.85 2nm2 s PRO 106 Cb -0.15 -4.73 0.00 0.00 0.02 0.00 0.00 34.50 29.65 2nm2 s PRO 106 CO -0.21 -3.94 0.00 0.41 -0.33 0.00 0.00 177.00 172.92 2nm2 n GLY 107 N 6.52 0.36 3.30 0.52 0.00 -1.26 -5.13 105.19 109.49 2nm2 n GLY 107 Ca 0.42 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 2nm2 n GLY 107 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nm2 s HIS 108 N -2.00 2.86 0.11 1.61 3.76 -1.26 -5.07 115.29 115.30 2nm2 s HIS 108 Ca 0.00 -0.95 -0.25 0.00 -0.15 0.00 0.00 55.06 53.71 2nm2 s HIS 108 Cb 0.00 -1.96 0.07 0.00 1.11 0.00 0.00 32.58 31.80 2nm2 s HIS 108 CO 0.00 -0.46 0.78 1.52 -0.85 0.00 0.00 174.74 175.74 2nm2 s TYR 109 N 0.97 -0.35 -1.72 1.40 -0.85 -1.26 -5.01 117.35 110.52 2nm2 s TYR 109 Ca -0.01 0.12 0.28 0.00 -0.52 0.00 0.00 57.07 56.94 2nm2 s TYR 109 Cb -0.15 0.59 1.12 0.00 0.38 0.00 0.00 41.96 43.90 2nm2 s TYR 109 CO -0.01 -0.78 1.79 -0.25 -1.52 0.00 0.00 175.55 174.78 2nm2 n ASP 110 N -0.36 0.64 0.00 -0.18 8.00 -1.26 -4.99 116.55 118.40 2nm2 n ASP 110 Ca -0.10 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.69 2nm2 n ASP 110 Cb 0.62 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 2nm2 n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nm2 n GLY 111 N 1.28 3.22 3.22 0.44 0.00 -1.26 -4.69 105.19 107.40 2nm2 n GLY 111 Ca 0.14 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 2nm2 n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nm2 s VAL 112 N -2.00 0.82 0.00 1.61 -7.23 0.03 -4.93 120.40 108.70 2nm2 s VAL 112 Ca 0.00 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 2nm2 s VAL 112 Cb 0.00 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 35.04 2nm2 s VAL 112 CO 0.00 -0.68 0.00 0.61 -0.31 0.00 0.00 175.10 174.72 2nm2 n GLY 113 N -0.17 2.07 3.86 2.32 0.00 -1.26 0.20 105.19 112.22 2nm2 n GLY 113 Ca -0.09 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 2nm2 n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2nm2 s ILE 114 N -2.00 4.03 -0.12 -0.61 -4.36 -1.25 -4.94 121.20 111.94 2nm2 s ILE 114 Ca 0.00 -1.32 -0.07 0.00 -0.26 0.00 0.00 60.65 59.00 2nm2 s ILE 114 Cb 0.00 -3.33 0.04 0.00 1.25 0.00 0.00 42.46 40.42 2nm2 s ILE 114 CO 0.00 -0.24 0.29 -0.70 0.24 0.00 0.00 174.94 174.53 2nm2 s GLU 115 N -3.96 0.28 0.29 0.37 2.12 -1.26 -1.74 118.70 114.79 2nm2 s GLU 115 Ca 0.38 0.56 0.09 0.00 0.36 0.00 0.00 54.97 56.36 2nm2 s GLU 115 Cb -0.07 -0.03 -0.06 0.00 0.26 0.00 0.00 34.13 34.23 2nm2 s GLU 115 CO 0.27 -0.13 -0.12 0.96 -0.54 0.00 0.00 175.26 175.70 2nm2 s ILE 116 N 1.04 2.05 -0.21 -3.70 -4.36 0.30 -4.96 121.20 111.36 2nm2 s ILE 116 Ca -0.07 -2.23 -0.04 0.00 -0.26 0.00 0.00 60.65 58.04 2nm2 s ILE 116 Cb -0.08 -2.42 0.08 0.00 1.25 0.00 0.00 42.46 41.28 2nm2 s ILE 116 CO -0.07 -0.33 0.14 -0.69 0.24 0.00 0.00 174.94 174.22 2nm2 s VAL 117 N -2.76 -0.15 0.12 8.37 1.01 -1.26 -1.47 120.40 124.26 2nm2 s VAL 117 Ca 0.30 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.06 2nm2 s VAL 117 Cb 0.01 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2nm2 s VAL 117 CO 0.13 -0.37 -0.12 -0.13 0.00 0.00 0.00 175.10 174.62 2nm2 s ARG 118 N 2.18 2.03 0.45 2.72 1.81 -0.79 -4.97 118.95 122.38 2nm2 s ARG 118 Ca 0.05 -1.10 0.02 0.00 -1.72 0.00 0.00 55.73 52.98 2nm2 s ARG 118 Cb -0.16 -2.24 0.02 0.00 -0.45 0.00 0.00 34.95 32.13 2nm2 s ARG 118 CO -0.17 0.49 0.19 -0.85 -0.68 0.00 0.00 175.30 174.29 2nm2 n GLU 119 N 0.62 0.88 -3.87 3.54 0.28 -1.26 0.18 120.64 121.00 2nm2 n GLU 119 Ca -0.14 -2.99 -0.32 0.00 -0.16 0.00 0.00 57.16 53.55 2nm2 n GLU 119 Cb 0.53 0.54 -0.04 0.00 1.43 0.00 0.00 31.44 33.89 2nm2 n GLU 119 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2nm2 s ASN 120 N -3.55 6.39 0.00 -1.84 3.84 -1.12 -4.84 114.94 113.82 2nm2 s ASN 120 Ca 0.15 0.36 0.00 0.00 0.21 0.00 0.00 52.86 53.57 2nm2 s ASN 120 Cb -0.01 -2.00 0.00 0.00 -0.55 0.00 0.00 41.25 38.69 2nm2 s ASN 120 CO 0.09 0.19 0.03 0.29 -2.79 0.00 0.00 177.10 174.91