#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nee n ASP 2 N 0.00 1.56 0.00 6.12 8.00 -1.26 -4.78 116.55 126.19 1nee n ASP 2 Ca 0.00 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1nee n ASP 2 Cb 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 1nee n ASP 2 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nee n ASP 3 N -4.02 0.00 -3.61 -2.24 8.00 -1.26 -4.23 116.55 109.18 1nee n ASP 3 Ca -0.08 0.51 -0.43 0.00 0.71 0.00 0.00 54.79 55.50 1nee n ASP 3 Cb 0.29 -0.36 -0.06 0.00 -0.02 0.00 0.00 41.12 40.97 1nee n ASP 3 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1nee n TYR 4 N -1.58 1.82 -0.67 1.24 4.02 -1.26 -4.92 117.16 115.81 1nee n TYR 4 Ca 0.00 -1.78 -0.31 0.00 -0.01 0.00 0.00 57.90 55.80 1nee n TYR 4 Cb 0.00 -1.68 0.17 0.00 -0.02 0.00 0.00 39.34 37.81 1nee n TYR 4 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1nee n GLU 5 N 7.00 -0.65 -2.45 -0.72 -0.58 -1.26 -4.64 120.64 117.34 1nee n GLU 5 Ca 0.50 -0.13 -0.37 0.00 -0.42 0.00 0.00 57.16 56.74 1nee n GLU 5 Cb 0.40 -2.29 0.01 0.00 -0.57 0.00 0.00 31.44 29.00 1nee n GLU 5 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1nee n LYS 6 N -4.00 4.08 -2.19 3.49 0.00 -1.26 -5.00 118.16 113.28 1nee n LYS 6 Ca 0.10 -4.34 -0.43 0.00 0.00 0.00 0.00 58.31 53.65 1nee n LYS 6 Cb 0.52 -2.35 -0.02 0.00 0.00 0.00 0.00 35.03 33.18 1nee n LYS 6 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1nee s LEU 7 N -4.04 3.56 0.00 3.14 2.34 -1.26 -4.85 118.68 117.57 1nee s LEU 7 Ca 0.45 1.07 0.26 0.00 0.06 0.00 0.00 54.13 55.97 1nee s LEU 7 Cb 0.30 -3.53 0.71 0.00 -0.56 0.00 0.00 46.19 43.11 1nee s LEU 7 CO -0.23 -1.55 1.54 0.18 -1.06 0.00 0.00 176.35 175.24 1nee n LEU 8 N 9.45 0.88 -2.62 1.48 4.77 -1.26 -4.94 117.00 124.75 1nee n LEU 8 Ca 0.19 -0.19 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 1nee n LEU 8 Cb 0.47 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1nee n LEU 8 CO 0.69 0.17 -0.07 1.21 -1.33 0.00 0.00 177.39 178.06 1nee n GLU 9 N -0.87 -3.68 -2.81 3.23 2.13 -1.26 -4.93 120.64 112.44 1nee n GLU 9 Ca 0.11 0.87 -0.43 0.00 0.66 0.00 0.00 57.16 58.37 1nee n GLU 9 Cb 0.34 -5.54 -0.04 0.00 0.27 0.00 0.00 31.44 26.48 1nee n GLU 9 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1nee s ARG 10 N -5.42 3.16 -1.74 5.31 1.81 -1.26 -4.17 118.95 116.64 1nee s ARG 10 Ca 0.20 -0.82 0.00 0.00 -1.72 0.00 0.00 55.73 53.38 1nee s ARG 10 Cb -0.09 -4.30 0.00 0.00 -0.45 0.00 0.00 34.95 30.11 1nee s ARG 10 CO 0.25 -1.87 0.00 0.00 -0.68 0.00 0.00 175.30 173.00 1nee n ALA 11 N 7.88 -0.59 -1.08 2.13 0.00 -1.26 -4.87 120.51 122.72 1nee n ALA 11 Ca -0.00 0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.66 1nee n ALA 11 Cb 0.46 -2.15 0.26 0.00 0.00 0.00 0.00 19.45 18.03 1nee n ALA 11 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1nee n ILE 12 N -3.99 2.42 0.00 0.00 5.41 -1.26 -4.80 119.36 117.14 1nee n ILE 12 Ca -0.24 -1.99 0.00 0.00 1.00 0.00 0.00 62.75 61.52 1nee n ILE 12 Cb 0.68 -0.28 0.00 0.00 -0.71 0.00 0.00 39.64 39.33 1nee n ILE 12 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1nee n ASP 13 N -0.55 0.00 -0.02 4.38 -0.08 -1.26 -5.01 116.55 114.01 1nee n ASP 13 Ca 0.26 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.52 1nee n ASP 13 Cb 0.98 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 44.31 1nee n ASP 13 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1nee n GLN 14 N 0.00 0.65 -1.70 -0.67 0.00 -1.26 -4.89 117.38 109.52 1nee n GLN 14 Ca 0.00 0.06 -0.42 0.00 -0.00 0.00 0.00 57.00 56.63 1nee n GLN 14 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 30.24 28.56 1nee n GLN 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1nee s LEU 15 N -5.42 3.97 0.98 1.69 1.02 -1.26 -4.95 118.68 114.71 1nee s LEU 15 Ca -0.06 2.23 -0.13 0.00 0.02 0.00 0.00 54.13 56.18 1nee s LEU 15 Cb 0.09 -3.52 0.06 0.00 0.02 0.00 0.00 46.19 42.84 1nee s LEU 15 CO 0.84 -1.45 0.43 -0.81 0.02 0.00 0.00 176.35 175.38 1nee n PRO 16 N 8.05 -0.57 0.00 1.29 -0.04 -1.26 -4.25 135.00 138.22 1nee n PRO 16 Ca 0.24 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1nee n PRO 16 Cb 0.43 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 1nee n PRO 16 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1nee n PRO 17 N -2.07 0.28 0.10 0.54 -0.04 -1.26 -4.04 135.00 128.50 1nee n PRO 17 Ca 0.06 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 1nee n PRO 17 Cb 0.55 -1.23 -0.05 0.00 -0.04 0.00 0.00 33.50 32.72 1nee n PRO 17 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1nee h GLU 18 N 1.02 -0.40 -6.31 0.54 4.81 -1.97 -3.40 114.58 108.88 1nee h GLU 18 Ca 0.00 0.03 -0.55 0.00 -0.13 0.00 0.00 59.36 58.71 1nee h GLU 18 Cb 0.20 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1nee h GLU 18 CO 0.00 -0.27 0.54 0.08 -0.73 0.00 0.00 179.01 178.63 1nee s VAL 19 N -6.08 4.70 0.06 0.32 1.01 -1.26 -5.01 120.40 114.14 1nee s VAL 19 Ca -0.15 1.96 -0.30 0.00 0.00 0.00 0.00 61.98 63.49 1nee s VAL 19 Cb 0.08 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1nee s VAL 19 CO 0.65 0.04 1.01 0.72 0.00 0.00 0.00 175.10 177.52 1nee s PHE 20 N 1.76 3.69 -0.10 5.22 -0.12 -1.26 -4.90 117.98 122.27 1nee s PHE 20 Ca 0.51 1.69 -0.33 0.00 -0.05 0.00 0.00 56.93 58.74 1nee s PHE 20 Cb -0.20 -3.14 0.15 0.00 -0.63 0.00 0.00 43.02 39.20 1nee s PHE 20 CO 0.21 -0.11 1.44 -2.00 -0.05 0.00 0.00 175.22 174.71 1nee s GLU 21 N 0.54 0.01 -0.21 1.99 2.12 -1.26 -5.14 118.70 116.74 1nee s GLU 21 Ca 0.51 -0.01 -0.13 0.00 0.36 0.00 0.00 54.97 55.70 1nee s GLU 21 Cb -0.23 0.00 -0.05 0.00 0.26 0.00 0.00 34.13 34.11 1nee s GLU 21 CO 0.29 -0.01 0.27 0.99 -0.54 0.00 0.00 175.26 176.26 1nee s THR 22 N -2.01 5.29 -0.62 -1.70 2.01 -1.26 -5.04 115.64 112.31 1nee s THR 22 Ca 0.15 0.43 -0.22 0.00 0.31 0.00 0.00 61.69 62.35 1nee s THR 22 Cb 0.08 -3.60 0.06 0.00 0.01 0.00 0.00 72.50 69.05 1nee s THR 22 CO -0.07 0.32 0.92 -0.54 -0.69 0.00 0.00 174.62 174.56 1nee s LYS 23 N 1.06 3.16 -0.75 4.92 1.02 -1.26 -4.99 119.74 122.90 1nee s LYS 23 Ca 0.13 -0.74 -0.18 0.00 0.02 0.00 0.00 55.97 55.20 1nee s LYS 23 Cb -0.14 -4.18 0.13 0.00 -0.52 0.00 0.00 37.83 33.12 1nee s LYS 23 CO 0.05 -1.68 0.88 1.03 -0.92 0.00 0.00 175.35 174.71 1nee s ARG 24 N 3.86 3.32 -1.16 1.68 3.00 -1.26 -4.98 118.95 123.42 1nee s ARG 24 Ca 0.23 -1.60 -0.13 0.00 0.00 0.00 0.00 55.73 54.24 1nee s ARG 24 Cb -0.16 -4.49 0.20 0.00 0.00 0.00 0.00 34.95 30.49 1nee s ARG 24 CO 0.12 -1.61 1.31 0.12 0.00 0.00 0.00 175.30 175.24 1nee s PHE 25 N 2.42 3.73 -0.12 -0.53 2.19 -1.26 -4.95 117.98 119.46 1nee s PHE 25 Ca 0.20 -2.27 -0.05 0.00 0.33 0.00 0.00 56.93 55.15 1nee s PHE 25 Cb -0.15 -4.16 0.06 0.00 -1.31 0.00 0.00 43.02 37.46 1nee s PHE 25 CO -0.01 -1.26 0.25 -2.00 1.83 0.00 0.00 175.22 174.04 1nee s GLU 26 N 0.73 0.16 -0.14 10.12 2.12 -1.26 -4.70 118.70 125.73 1nee s GLU 26 Ca 0.38 0.67 -0.10 0.00 0.36 0.00 0.00 54.97 56.28 1nee s GLU 26 Cb -0.05 -0.07 0.05 0.00 0.26 0.00 0.00 34.13 34.31 1nee s GLU 26 CO -0.03 -0.24 0.36 0.08 -0.54 0.00 0.00 175.26 174.88 1nee s VAL 27 N 2.01 -0.02 1.08 3.70 1.01 -1.26 -5.01 120.40 121.91 1nee s VAL 27 Ca -0.02 0.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 1nee s VAL 27 Cb -0.11 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.76 1nee s VAL 27 CO -0.08 0.03 -0.36 -2.65 0.00 0.00 0.00 175.10 172.03 1nee n PRO 28 N 3.74 -1.07 -2.44 2.72 -0.02 -1.26 -4.61 135.00 132.06 1nee n PRO 28 Ca -0.20 -0.30 -0.02 0.00 -2.02 0.00 0.00 63.50 60.97 1nee n PRO 28 Cb 0.56 -1.52 -0.01 0.00 -0.02 0.00 0.00 33.50 32.50 1nee n PRO 28 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1nee n LYS 29 N -0.81 -3.80 -2.79 -0.52 3.00 -1.26 -5.02 118.16 106.95 1nee n LYS 29 Ca 0.00 2.82 -0.10 0.00 -0.00 0.00 0.00 58.31 61.03 1nee n LYS 29 Cb 0.65 -3.73 0.06 0.00 0.00 0.00 0.00 35.03 32.00 1nee n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nee n ALA 30 N 1.92 -0.72 -2.97 3.14 0.00 -1.26 -4.92 120.51 115.70 1nee n ALA 30 Ca -0.12 -1.65 -0.11 0.00 0.00 0.00 0.00 53.44 51.56 1nee n ALA 30 Cb 0.18 -1.20 -0.08 0.00 0.00 0.00 0.00 19.45 18.35 1nee n ALA 30 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1nee s TYR 31 N 0.21 -0.03 0.00 0.00 1.13 -1.26 -4.38 117.35 113.01 1nee s TYR 31 Ca 0.28 -0.11 0.00 0.00 -1.41 0.00 0.00 57.07 55.83 1nee s TYR 31 Cb 0.26 0.03 0.00 0.00 -1.10 0.00 0.00 41.96 41.15 1nee s TYR 31 CO -0.14 -0.45 0.00 -1.13 -2.51 0.00 0.00 175.55 171.33 1nee n SER 32 N 0.75 0.00 -4.06 -0.18 3.41 -1.26 -4.90 113.62 107.38 1nee n SER 32 Ca -0.19 -0.72 -0.23 0.00 -0.26 0.00 0.00 58.87 57.47 1nee n SER 32 Cb 0.59 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.38 1nee n SER 32 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1nee s VAL 33 N 0.13 1.11 -0.41 -3.33 1.01 -1.26 -4.78 120.40 112.87 1nee s VAL 33 Ca 0.00 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 1nee s VAL 33 Cb 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.43 1nee s VAL 33 CO 0.00 0.33 0.94 0.27 0.00 0.00 0.00 175.10 176.64 1nee s ILE 34 N 0.19 4.52 -0.47 2.22 -4.36 -1.26 -2.77 121.20 119.27 1nee s ILE 34 Ca -0.05 1.03 0.03 0.00 -0.26 0.00 0.00 60.65 61.40 1nee s ILE 34 Cb -0.11 -4.39 0.13 0.00 1.25 0.00 0.00 42.46 39.34 1nee s ILE 34 CO 0.02 -0.68 0.24 -1.58 0.24 0.00 0.00 174.94 173.18 1nee s GLN 35 N 3.64 1.62 0.00 0.37 2.00 -0.76 -4.96 119.66 121.57 1nee s GLN 35 Ca 0.38 -2.28 0.00 0.00 -2.00 0.00 0.00 55.36 51.47 1nee s GLN 35 Cb -0.11 -2.84 0.00 0.00 0.80 0.00 0.00 33.01 30.86 1nee s GLN 35 CO 0.22 -1.12 0.00 0.41 -0.50 0.00 0.00 175.29 174.30 1nee n GLY 36 N 3.40 1.09 1.07 2.59 0.00 -1.26 -2.11 105.19 109.96 1nee n GLY 36 Ca 0.06 0.16 -0.05 0.00 0.00 0.00 0.00 46.02 46.19 1nee n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nee n ASN 37 N 2.42 -0.62 -4.00 1.61 4.05 -1.26 -5.13 115.26 112.34 1nee n ASN 37 Ca 0.00 -1.97 -0.08 0.00 0.45 0.00 0.00 54.58 52.98 1nee n ASN 37 Cb 0.00 0.18 -0.10 0.00 1.23 0.00 0.00 39.78 41.10 1nee n ASN 37 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1nee s ARG 38 N 0.00 0.56 -0.23 1.20 1.70 -0.90 -3.53 118.95 117.75 1nee s ARG 38 Ca 0.06 -0.92 -0.07 0.00 -0.47 0.00 0.00 55.73 54.33 1nee s ARG 38 Cb 0.07 0.20 -0.03 0.00 -0.57 0.00 0.00 34.95 34.62 1nee s ARG 38 CO -0.03 -0.12 0.05 -0.08 -1.08 0.00 0.00 175.30 174.04 1nee s THR 39 N -2.97 4.20 -1.16 4.99 -1.32 -0.58 -1.82 115.64 116.98 1nee s THR 39 Ca -0.02 -0.22 -0.08 0.00 -1.21 0.00 0.00 61.69 60.16 1nee s THR 39 Cb 0.01 -2.94 0.25 0.00 -1.51 0.00 0.00 72.50 68.30 1nee s THR 39 CO -0.06 0.37 1.47 0.49 -2.21 0.00 0.00 174.62 174.68 1nee n PHE 40 N 4.68 3.64 -1.91 9.09 3.01 -1.11 -0.68 117.46 134.17 1nee n PHE 40 Ca -0.17 -3.10 -0.42 0.00 1.01 0.00 0.00 57.45 54.78 1nee n PHE 40 Cb 0.51 -1.68 -0.03 0.00 -0.01 0.00 0.00 39.48 38.27 1nee n PHE 40 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1nee s ILE 41 N -0.97 2.59 -0.10 4.37 1.01 -0.71 -4.28 121.20 123.11 1nee s ILE 41 Ca 0.35 0.40 0.04 0.00 0.00 0.00 0.00 60.65 61.44 1nee s ILE 41 Cb 0.01 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 39.13 1nee s ILE 41 CO 0.02 0.03 -0.04 0.00 0.00 0.00 0.00 174.94 174.94 1nee n GLN 42 N 4.10 1.25 -1.97 2.79 3.00 -1.26 -1.70 117.38 123.58 1nee n GLN 42 Ca 0.14 0.04 -0.33 0.00 -0.01 0.00 0.00 57.00 56.84 1nee n GLN 42 Cb 0.38 -1.22 0.03 0.00 0.00 0.00 0.00 30.24 29.43 1nee n GLN 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1nee n ASN 43 N -2.61 6.34 -0.29 1.08 3.02 -1.26 -4.79 115.26 116.74 1nee n ASN 43 Ca -0.17 -3.78 0.34 0.00 -0.03 0.00 0.00 54.58 50.94 1nee n ASN 43 Cb 0.74 -0.76 0.69 0.00 -0.61 0.00 0.00 39.78 39.84 1nee n ASN 43 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1nee h PHE 44 N 2.53 0.00 0.06 3.10 -5.15 -1.95 0.97 116.94 116.51 1nee h PHE 44 Ca 0.47 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 58.24 1nee h PHE 44 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.87 1nee h PHE 44 CO 1.08 0.00 -0.03 -0.09 -2.00 0.00 0.00 178.31 177.27 1nee h ARG 45 N 0.00 -0.08 0.09 6.09 9.65 -1.98 -1.87 114.38 126.27 1nee h ARG 45 Ca 0.55 0.01 -0.17 0.00 -1.10 0.00 0.00 59.98 59.26 1nee h ARG 45 Cb 2.50 0.02 0.02 0.00 -1.39 0.00 0.00 29.97 31.12 1nee h ARG 45 CO -0.01 0.49 -0.73 1.49 2.80 0.00 0.00 179.97 184.01 1nee h GLU 46 N -0.76 0.34 -0.68 0.20 4.81 -1.31 -2.76 114.58 114.42 1nee h GLU 46 Ca -0.01 -0.48 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1nee h GLU 46 Cb 0.61 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 1nee h GLU 46 CO 0.01 1.19 0.39 0.28 -0.73 0.00 0.00 179.01 180.15 1nee h VAL 47 N -0.27 1.20 0.05 0.32 2.07 0.71 -2.66 116.25 117.66 1nee h VAL 47 Ca -0.12 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1nee h VAL 47 Cb 1.51 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1nee h VAL 47 CO 0.14 0.22 -0.02 0.00 0.02 0.00 0.00 177.57 177.92 1nee h ALA 48 N 1.49 -0.07 -0.00 1.67 0.00 -1.40 -2.04 119.26 118.90 1nee h ALA 48 Ca 0.24 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nee h ALA 48 Cb -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1nee h ALA 48 CO -0.04 -0.33 -0.18 0.22 0.00 0.00 0.00 179.25 178.92 1nee h ASP 49 N -0.48 -0.54 -0.67 0.00 1.82 -1.28 0.60 116.42 115.87 1nee h ASP 49 Ca -0.01 0.06 0.10 0.00 -0.39 0.00 0.00 57.03 56.79 1nee h ASP 49 Cb 0.43 0.21 -0.07 0.00 0.68 0.00 0.00 39.33 40.58 1nee h ASP 49 CO 0.01 -0.17 0.29 0.00 -1.61 0.00 0.00 179.24 177.76 1nee h ALA 50 N -1.14 0.90 0.00 -0.78 0.00 -1.59 0.25 119.26 116.90 1nee h ALA 50 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1nee h ALA 50 Cb 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1nee h ALA 50 CO -0.12 -0.13 -0.19 1.25 0.00 0.00 0.00 179.25 180.06 1nee h LEU 51 N 0.50 0.00 -6.00 0.00 5.85 -1.05 -3.35 115.31 111.25 1nee h LEU 51 Ca 0.34 0.00 0.26 0.00 0.84 0.00 0.00 57.88 59.32 1nee h LEU 51 Cb 0.40 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 41.24 1nee h LEU 51 CO -0.30 0.19 0.14 0.21 -0.34 0.00 0.00 178.44 178.34 1nee s ASN 52 N -6.36 -0.22 0.27 1.25 3.84 0.21 -4.66 114.94 109.27 1nee s ASN 52 Ca -0.02 0.08 -0.04 0.00 0.21 0.00 0.00 52.86 53.08 1nee s ASN 52 Cb 0.13 1.16 0.55 0.00 -0.55 0.00 0.00 41.25 42.54 1nee s ASN 52 CO 0.63 -0.04 1.60 -0.09 -2.79 0.00 0.00 177.10 176.41 1nee h ARG 53 N 7.58 0.05 -6.27 0.43 1.12 -0.77 -3.33 114.38 113.18 1nee h ARG 53 Ca -0.11 -0.00 -0.56 0.00 -1.11 0.00 0.00 59.98 58.20 1nee h ARG 53 Cb 1.18 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 31.09 1nee h ARG 53 CO -0.16 0.04 0.57 -0.51 -3.11 0.00 0.00 179.97 176.80 1nee s ASP 54 N -5.14 7.23 0.26 -3.80 1.11 -1.26 -4.72 116.67 110.34 1nee s ASP 54 Ca -0.13 1.57 0.08 0.00 0.18 0.00 0.00 52.55 54.24 1nee s ASP 54 Cb 0.25 -2.56 0.32 0.00 1.07 0.00 0.00 42.92 42.01 1nee s ASP 54 CO 0.77 -0.45 1.60 1.55 1.18 0.00 0.00 175.17 179.81 1nee h PRO 55 N 7.12 0.12 -0.84 8.23 0.13 -1.92 -2.90 132.00 141.93 1nee h PRO 55 Ca -0.32 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 1nee h PRO 55 Cb 1.15 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1nee h PRO 55 CO 0.85 0.68 0.45 1.96 -0.23 0.00 0.00 178.00 181.72 1nee h GLN 56 N 0.09 1.17 0.41 0.86 4.20 -1.93 -1.35 115.11 118.57 1nee h GLN 56 Ca -0.01 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1nee h GLN 56 Cb 1.08 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1nee h GLN 56 CO 0.09 0.86 -0.20 1.25 -0.67 0.00 0.00 178.83 180.16 1nee h HIS 57 N 1.18 -0.52 -0.91 2.96 2.76 -1.93 -2.18 115.15 116.51 1nee h HIS 57 Ca 0.29 -0.01 0.25 0.00 -2.20 0.00 0.00 60.37 58.70 1nee h HIS 57 Cb 0.04 0.17 -0.16 0.00 1.55 0.00 0.00 27.41 29.01 1nee h HIS 57 CO 0.01 -0.32 0.12 1.25 -1.30 0.00 0.00 177.93 177.68 1nee h LEU 58 N -1.15 -0.26 -0.42 0.26 6.46 -1.50 0.31 115.31 119.01 1nee h LEU 58 Ca -0.06 0.24 -0.06 0.00 -0.12 0.00 0.00 57.88 57.88 1nee h LEU 58 Cb 0.43 0.38 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 1nee h LEU 58 CO 0.09 -0.26 0.02 -0.07 -0.62 0.00 0.00 178.44 177.60 1nee h LEU 59 N 0.09 0.71 -2.13 2.25 3.38 -1.30 -2.13 115.31 116.18 1nee h LEU 59 Ca 0.56 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1nee h LEU 59 Cb 1.15 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1nee h LEU 59 CO -0.78 0.83 -0.07 0.11 0.09 0.00 0.00 178.44 178.62 1nee h LYS 60 N 0.57 0.00 0.07 1.13 6.56 0.20 -2.63 116.57 122.46 1nee h LYS 60 Ca 0.12 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.53 1nee h LYS 60 Cb 0.46 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.14 1nee h LYS 60 CO 0.02 0.07 -0.75 0.35 -2.06 0.00 0.00 179.45 177.08 1nee h PHE 61 N 0.00 0.63 -0.95 -1.35 3.57 -0.51 -2.06 116.94 116.27 1nee h PHE 61 Ca -0.00 -0.39 0.04 0.00 3.53 0.00 0.00 57.97 61.15 1nee h PHE 61 Cb 0.19 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.82 1nee h PHE 61 CO 0.00 1.25 0.61 1.37 -2.23 0.00 0.00 178.31 179.31 1nee h LEU 62 N -0.16 1.01 -0.40 0.59 8.10 -1.04 -1.96 115.31 121.46 1nee h LEU 62 Ca -0.11 -0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.69 1nee h LEU 62 Cb 1.50 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 41.50 1nee h LEU 62 CO 0.15 0.68 -0.75 0.25 -4.11 0.00 0.00 178.44 174.66 1nee h LEU 63 N 1.17 0.44 -1.86 0.17 6.46 -1.59 0.21 115.31 120.31 1nee h LEU 63 Ca 0.39 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1nee h LEU 63 Cb 0.04 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 39.84 1nee h LEU 63 CO -0.13 1.04 -0.05 0.03 -0.62 0.00 0.00 178.44 178.71 1nee h ARG 64 N 0.24 0.03 0.00 1.25 2.47 -0.64 -2.82 114.38 114.91 1nee h ARG 64 Ca -0.03 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.65 1nee h ARG 64 Cb 1.33 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.64 1nee h ARG 64 CO 0.13 0.08 -1.80 0.39 0.56 0.00 0.00 179.97 179.33 1nee n GLU 65 N -4.47 0.61 -1.96 0.04 4.71 -0.87 -4.90 120.64 113.80 1nee n GLU 65 Ca -0.03 -0.14 -0.39 0.00 -0.01 0.00 0.00 57.16 56.60 1nee n GLU 65 Cb 0.14 -1.40 -0.03 0.00 -1.01 0.00 0.00 31.44 29.14 1nee n GLU 65 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1nee s LEU 66 N -4.27 3.36 0.00 -4.62 1.02 0.71 -3.52 118.68 111.37 1nee s LEU 66 Ca -0.06 0.69 0.29 0.00 0.02 0.00 0.00 54.13 55.06 1nee s LEU 66 Cb 0.10 -2.77 1.23 0.00 0.02 0.00 0.00 46.19 44.77 1nee s LEU 66 CO 0.69 -2.28 1.90 0.61 0.02 0.00 0.00 176.35 177.29 1nee n GLY 67 N 5.67 -1.36 3.92 -3.19 0.00 -1.26 -4.85 105.19 104.12 1nee n GLY 67 Ca 0.23 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1nee n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nee s THR 68 N -2.83 2.75 0.02 2.61 -4.23 -1.25 -5.01 115.64 107.70 1nee s THR 68 Ca 0.19 -1.24 -0.04 0.00 -1.18 0.00 0.00 61.69 59.42 1nee s THR 68 Cb 0.19 -2.98 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 1nee s THR 68 CO 0.52 0.00 0.24 0.00 -0.54 0.00 0.00 174.62 174.84 1nee n ALA 69 N -1.65 -0.08 -1.39 3.99 0.00 -1.26 -4.75 120.51 115.38 1nee n ALA 69 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1nee n ALA 69 Cb 0.61 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1nee n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nee n GLY 70 N -1.03 -2.66 3.79 0.00 0.00 -1.20 -5.02 105.19 99.06 1nee n GLY 70 Ca 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 1nee n GLY 70 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nee s ASN 71 N 0.00 -0.21 -0.35 1.61 0.01 -1.26 -4.94 114.94 109.81 1nee s ASN 71 Ca 0.00 -0.47 -0.26 0.00 -0.71 0.00 0.00 52.86 51.42 1nee s ASN 71 Cb 0.00 0.57 0.01 0.00 0.41 0.00 0.00 41.25 42.24 1nee s ASN 71 CO 0.00 -1.05 0.95 -0.76 -1.51 0.00 0.00 177.10 174.73 1nee s LEU 72 N -2.93 3.99 0.18 0.60 1.02 -1.26 -3.58 118.68 116.69 1nee s LEU 72 Ca 0.12 0.72 0.04 0.00 0.02 0.00 0.00 54.13 55.03 1nee s LEU 72 Cb -0.03 -3.31 -0.04 0.00 0.02 0.00 0.00 46.19 42.83 1nee s LEU 72 CO 0.04 -0.83 0.21 -0.70 0.02 0.00 0.00 176.35 175.08 1nee s GLU 73 N 3.46 3.12 5.85 1.70 2.56 -0.76 -4.82 118.70 129.81 1nee s GLU 73 Ca 0.39 -0.80 0.00 0.00 0.00 0.00 0.00 54.97 54.57 1nee s GLU 73 Cb -0.12 -2.76 0.00 0.00 2.00 0.00 0.00 34.13 33.25 1nee s GLU 73 CO 0.17 0.48 0.00 0.41 -0.56 0.00 0.00 175.26 175.76 1nee n GLY 74 N -0.60 1.75 0.00 -1.50 0.00 -1.26 -2.54 105.19 101.04 1nee n GLY 74 Ca -0.08 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.40 1nee n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nee n GLY 75 N 0.00 -0.13 0.00 -0.02 0.00 -1.26 -4.96 105.19 98.82 1nee n GLY 75 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1nee n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nee n ARG 76 N -1.70 0.00 -2.74 1.61 3.00 -1.26 -5.04 116.66 110.54 1nee n ARG 76 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.85 57.76 1nee n ARG 76 Cb 0.17 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.68 1nee n ARG 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nee n ALA 77 N -3.00 -1.72 -2.96 7.54 0.00 -0.69 -4.86 120.51 114.82 1nee n ALA 77 Ca 0.00 -1.23 -0.44 0.00 0.00 0.00 0.00 53.44 51.77 1nee n ALA 77 Cb 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 1nee n ALA 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nee s ILE 78 N 0.66 4.79 0.91 0.00 1.01 -1.05 -1.74 121.20 125.77 1nee s ILE 78 Ca 0.31 -1.59 -0.14 0.00 0.00 0.00 0.00 60.65 59.23 1nee s ILE 78 Cb 0.20 -4.74 0.16 0.00 0.01 0.00 0.00 42.46 38.09 1nee s ILE 78 CO -0.21 -1.46 1.27 -1.48 0.00 0.00 0.00 174.94 173.06 1nee s LEU 79 N 2.53 2.61 -0.09 2.97 0.05 0.14 -1.82 118.68 125.07 1nee s LEU 79 Ca 0.30 0.47 -0.03 0.00 0.05 0.00 0.00 54.13 54.92 1nee s LEU 79 Cb -0.06 -2.68 0.05 0.00 -2.05 0.00 0.00 46.19 41.44 1nee s LEU 79 CO -0.08 -2.44 0.10 -1.58 -0.55 0.00 0.00 176.35 171.81 1nee s GLN 80 N -5.76 -0.00 0.00 1.48 0.74 -1.26 -1.52 119.66 113.33 1nee s GLN 80 Ca 0.69 0.31 0.00 0.00 0.05 0.00 0.00 55.36 56.42 1nee s GLN 80 Cb -0.07 -0.79 0.00 0.00 1.10 0.00 0.00 33.01 33.26 1nee s GLN 80 CO 0.52 -0.42 0.00 0.41 -0.55 0.00 0.00 175.29 175.24 1nee n GLY 81 N 5.30 -0.62 0.04 2.59 0.00 -1.23 -3.21 105.19 108.06 1nee n GLY 81 Ca -0.04 0.51 0.01 0.00 0.00 0.00 0.00 46.02 46.49 1nee n GLY 81 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nee n LYS 82 N 0.00 1.66 -1.36 1.61 4.81 -1.23 -4.64 118.16 119.01 1nee n LYS 82 Ca 0.00 -1.23 -0.23 0.00 -0.87 0.00 0.00 58.31 55.98 1nee n LYS 82 Cb 0.00 -0.85 -0.08 0.00 0.02 0.00 0.00 35.03 34.12 1nee n LYS 82 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1nee n PHE 83 N -0.39 1.24 -1.59 5.64 3.01 -1.26 -4.73 117.46 119.38 1nee n PHE 83 Ca 0.01 -1.84 -0.41 0.00 1.01 0.00 0.00 57.45 56.22 1nee n PHE 83 Cb 0.40 -1.41 -0.01 0.00 -0.01 0.00 0.00 39.48 38.45 1nee n PHE 83 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1nee n THR 84 N 1.21 3.60 -3.64 4.37 -2.24 -1.26 -4.46 114.28 111.86 1nee n THR 84 Ca 0.47 -2.83 -0.27 0.00 -2.27 0.00 0.00 64.05 59.15 1nee n THR 84 Cb 0.63 -2.60 -0.02 0.00 -2.10 0.00 0.00 70.33 66.24 1nee n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nee n HIS 85 N 5.48 -1.69 0.00 4.78 1.44 -1.26 -4.86 115.22 119.11 1nee n HIS 85 Ca 0.59 0.52 0.00 0.00 -2.01 0.00 0.00 57.72 56.81 1nee n HIS 85 Cb 0.35 -2.51 0.00 0.00 0.12 0.00 0.00 29.99 27.94 1nee n HIS 85 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1nee n PHE 86 N -3.87 0.00 0.03 -1.40 3.01 -1.26 -3.96 117.46 110.01 1nee n PHE 86 Ca 0.03 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.47 1nee n PHE 86 Cb 0.51 -0.07 0.25 0.00 -0.01 0.00 0.00 39.48 40.16 1nee n PHE 86 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1nee h LEU 87 N 0.00 0.44 0.60 4.37 -0.00 -1.89 -2.66 115.31 116.17 1nee h LEU 87 Ca 0.00 -0.13 -0.03 0.00 -0.00 0.00 0.00 57.88 57.73 1nee h LEU 87 Cb 0.00 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 40.54 1nee h LEU 87 CO 0.00 0.64 -0.35 0.40 -0.00 0.00 0.00 178.44 179.13 1nee h ILE 88 N 0.41 0.00 -0.92 1.22 2.04 -1.92 -1.85 117.51 116.49 1nee h ILE 88 Ca 0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 1nee h ILE 88 Cb 0.55 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 1nee h ILE 88 CO 0.04 0.00 0.59 -1.13 0.00 0.00 0.00 178.15 177.65 1nee h ASN 89 N -0.88 0.96 0.36 1.72 -1.24 -1.68 -1.46 115.58 113.36 1nee h ASN 89 Ca -0.08 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.93 1nee h ASN 89 Cb 0.70 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 1nee h ASN 89 CO 0.09 0.64 -0.36 -0.08 -1.29 0.00 0.00 177.43 176.43 1nee h GLU 90 N 1.11 -0.72 -0.01 6.67 4.57 -1.40 0.17 114.58 124.97 1nee h GLU 90 Ca 0.38 0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.61 1nee h GLU 90 Cb 0.08 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1nee h GLU 90 CO -0.14 -0.48 0.00 0.00 -1.18 0.00 0.00 179.01 177.21 1nee h ARG 91 N -0.75 0.01 0.45 1.92 2.47 -1.20 -1.90 114.38 115.38 1nee h ARG 91 Ca -0.02 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 1nee h ARG 91 Cb 0.67 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.98 1nee h ARG 91 CO -0.06 0.10 -0.32 0.82 0.56 0.00 0.00 179.97 181.07 1nee h ILE 92 N -0.08 0.34 -0.39 2.04 2.04 -1.21 -1.47 117.51 118.78 1nee h ILE 92 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.98 1nee h ILE 92 Cb 0.09 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1nee h ILE 92 CO -0.00 0.00 0.41 -0.33 0.00 0.00 0.00 178.15 178.23 1nee h GLU 93 N -0.75 0.00 -0.36 2.37 4.39 -0.65 0.26 114.58 119.84 1nee h GLU 93 Ca -0.05 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 1nee h GLU 93 Cb 0.63 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1nee h GLU 93 CO 0.02 0.00 -0.06 0.22 -1.16 0.00 0.00 179.01 178.03 1nee h ASP 94 N 0.00 0.68 0.00 1.42 1.82 -0.42 -2.05 116.42 117.87 1nee h ASP 94 Ca 0.18 -0.35 -0.01 0.00 -0.39 0.00 0.00 57.03 56.47 1nee h ASP 94 Cb 1.01 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.84 1nee h ASP 94 CO -0.00 0.87 -0.36 0.22 -1.61 0.00 0.00 179.24 178.35 1nee h TYR 95 N 0.48 0.00 -0.76 0.28 3.20 -0.44 -2.90 116.97 116.83 1nee h TYR 95 Ca 0.10 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.11 1nee h TYR 95 Cb 0.55 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.73 1nee h TYR 95 CO 0.05 0.05 0.30 -0.39 -1.64 0.00 0.00 178.16 176.53 1nee h VAL 96 N -1.00 0.66 -1.74 1.81 -1.51 -0.80 -1.78 116.25 111.89 1nee h VAL 96 Ca -0.01 -0.15 -0.67 0.00 -1.23 0.00 0.00 66.70 64.64 1nee h VAL 96 Cb 0.37 0.17 -0.35 0.00 -2.13 0.00 0.00 31.29 29.35 1nee h VAL 96 CO -0.01 0.08 0.08 0.59 -1.23 0.00 0.00 177.57 177.08 1nee n ASN 97 N -5.00 5.98 0.00 4.19 3.02 -0.77 -4.69 115.26 117.99 1nee n ASN 97 Ca 0.14 -3.77 0.14 0.00 -0.03 0.00 0.00 54.58 51.06 1nee n ASN 97 Cb 0.42 -0.73 0.57 0.00 -0.61 0.00 0.00 39.78 39.43 1nee n ASN 97 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1nee n LYS 98 N -0.51 0.00 -0.04 3.52 4.81 -0.67 -2.96 118.16 122.32 1nee n LYS 98 Ca 0.46 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.79 1nee n LYS 98 Cb 0.47 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 33.92 1nee n LYS 98 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1nee h PHE 99 N 0.00 -0.04 0.00 5.64 0.04 -1.83 -0.44 116.94 120.30 1nee h PHE 99 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1nee h PHE 99 Cb 0.50 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1nee h PHE 99 CO 0.00 0.65 0.00 -0.24 -0.60 0.00 0.00 178.31 178.12 1nee h VAL 100 N -0.91 0.00 0.05 -0.55 3.04 -1.96 0.32 116.25 116.25 1nee h VAL 100 Ca -0.00 -0.93 -0.35 0.00 -1.01 0.00 0.00 66.70 64.41 1nee h VAL 100 Cb 0.71 1.93 -0.04 0.00 -2.01 0.00 0.00 31.29 31.87 1nee h VAL 100 CO 0.01 0.00 -1.99 0.00 -1.01 0.00 0.00 177.57 174.57 1nee n ILE 101 N -3.07 1.63 1.36 3.17 3.06 -1.16 -4.21 119.36 120.15 1nee n ILE 101 Ca 0.04 -0.45 0.14 0.00 -2.50 0.00 0.00 62.75 59.98 1nee n ILE 101 Cb 0.50 -1.76 0.67 0.00 0.54 0.00 0.00 39.64 39.59 1nee n ILE 101 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1nee n HIS 103 N -1.20 -1.40 -3.50 0.00 8.25 -0.62 -4.13 115.22 112.63 1nee n HIS 103 Ca 0.13 0.57 -0.26 0.00 -0.26 0.00 0.00 57.72 57.90 1nee n HIS 103 Cb 0.27 -3.82 0.02 0.00 1.12 0.00 0.00 29.99 27.58 1nee n HIS 103 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1nee n GLU 104 N -2.85 -1.77 -0.98 -0.41 2.13 0.10 -4.74 120.64 112.12 1nee n GLU 104 Ca -0.15 1.25 -0.29 0.00 0.66 0.00 0.00 57.16 58.63 1nee n GLU 104 Cb 0.60 -2.92 -0.02 0.00 0.27 0.00 0.00 31.44 29.37 1nee n GLU 104 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nee n ASN 106 N 4.03 0.00 -3.41 0.00 4.05 -1.26 -4.67 115.26 114.01 1nee n ASN 106 Ca 0.58 0.00 -0.36 0.00 0.45 0.00 0.00 54.58 55.25 1nee n ASN 106 Cb 0.18 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.18 1nee n ASN 106 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1nee n ARG 107 N 0.00 4.67 -1.63 1.20 1.74 -1.26 -5.06 116.66 116.32 1nee n ARG 107 Ca 0.00 -4.74 -0.49 0.00 -0.77 0.00 0.00 57.85 51.86 1nee n ARG 107 Cb 0.00 -2.39 -0.05 0.00 -1.02 0.00 0.00 32.46 29.00 1nee n ARG 107 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1nee n PRO 108 N -0.10 1.67 -0.91 5.56 -0.02 -1.26 -4.82 135.00 135.13 1nee n PRO 108 Ca 0.41 0.60 -0.11 0.00 -2.02 0.00 0.00 63.50 62.39 1nee n PRO 108 Cb 0.31 -2.31 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 1nee n PRO 108 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nee n ASP 109 N 2.94 5.47 -3.42 2.55 8.00 -1.26 -4.80 116.55 126.04 1nee n ASP 109 Ca 0.17 -2.57 -0.17 0.00 0.71 0.00 0.00 54.79 52.93 1nee n ASP 109 Cb 0.24 -1.30 -0.07 0.00 -0.02 0.00 0.00 41.12 39.98 1nee n ASP 109 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1nee s THR 110 N 0.18 0.00 -0.59 -3.53 2.01 -1.26 -5.11 115.64 107.34 1nee s THR 110 Ca 0.45 -1.87 -0.23 0.00 0.31 0.00 0.00 61.69 60.36 1nee s THR 110 Cb 0.23 -2.54 0.05 0.00 0.01 0.00 0.00 72.50 70.26 1nee s THR 110 CO -0.02 0.00 0.92 -0.13 -0.69 0.00 0.00 174.62 174.69 1nee s ARG 111 N -3.40 3.22 -0.03 4.92 0.52 -1.26 -5.02 118.95 117.90 1nee s ARG 111 Ca 0.37 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 1nee s ARG 111 Cb 0.02 -4.13 -0.03 0.00 0.52 0.00 0.00 34.95 31.33 1nee s ARG 111 CO 0.24 -1.59 0.00 0.96 0.02 0.00 0.00 175.30 174.93 1nee s ILE 112 N 3.86 4.22 -0.01 1.52 -4.36 -1.26 -4.88 121.20 120.29 1nee s ILE 112 Ca 0.26 -0.48 0.00 0.00 -0.26 0.00 0.00 60.65 60.17 1nee s ILE 112 Cb -0.15 -2.85 0.01 0.00 1.25 0.00 0.00 42.46 40.73 1nee s ILE 112 CO 0.15 0.45 0.01 -0.63 0.24 0.00 0.00 174.94 175.16 1nee s ILE 113 N -1.02 -0.00 -0.08 8.37 -1.09 -1.26 -5.00 121.20 121.11 1nee s ILE 113 Ca 0.18 0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.68 1nee s ILE 113 Cb -0.11 -0.05 0.02 0.00 -1.58 0.00 0.00 42.46 40.73 1nee s ILE 113 CO 0.08 0.04 -0.10 -0.60 -1.23 0.00 0.00 174.94 173.13 1nee s ARG 114 N 0.41 1.56 0.03 2.79 3.52 -1.26 -2.13 118.95 123.86 1nee s ARG 114 Ca -0.03 -0.33 0.04 0.00 -0.13 0.00 0.00 55.73 55.27 1nee s ARG 114 Cb -0.05 -1.41 -0.02 0.00 -1.56 0.00 0.00 34.95 31.91 1nee s ARG 114 CO -0.01 -0.08 -0.12 -1.83 -0.81 0.00 0.00 175.30 172.45 1nee s GLU 115 N 1.03 0.84 0.00 5.12 1.03 -0.48 -4.81 118.70 121.43 1nee s GLU 115 Ca -0.08 -0.64 0.00 0.00 0.03 0.00 0.00 54.97 54.28 1nee s GLU 115 Cb -0.15 -0.81 0.00 0.00 -0.80 0.00 0.00 34.13 32.37 1nee s GLU 115 CO -0.01 0.20 0.00 0.41 -1.33 0.00 0.00 175.26 174.54 1nee n GLY 116 N 2.11 0.94 2.73 -3.83 0.00 -1.26 -1.71 105.19 104.16 1nee n GLY 116 Ca -0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.77 1nee n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nee n ARG 117 N -2.11 -1.04 -3.58 1.61 5.12 -1.26 -3.89 116.66 111.52 1nee n ARG 117 Ca 0.00 1.28 -0.20 0.00 -1.93 0.00 0.00 57.85 57.00 1nee n ARG 117 Cb 0.00 -4.86 0.05 0.00 -1.16 0.00 0.00 32.46 26.50 1nee n ARG 117 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1nee n ILE 118 N -1.61 -5.48 0.00 0.55 5.41 -1.26 -4.90 119.36 112.06 1nee n ILE 118 Ca -0.00 -0.62 0.00 0.00 1.00 0.00 0.00 62.75 63.13 1nee n ILE 118 Cb 0.50 -4.45 0.00 0.00 -0.71 0.00 0.00 39.64 34.98 1nee n ILE 118 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1nee n SER 119 N -3.07 2.57 -4.17 4.38 7.64 -1.25 -5.03 113.62 114.68 1nee n SER 119 Ca -0.26 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.50 1nee n SER 119 Cb 0.66 0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.81 1nee n SER 119 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1nee s LEU 120 N -4.02 2.49 0.00 -3.43 1.43 -0.69 -5.03 118.68 109.43 1nee s LEU 120 Ca 0.00 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 1nee s LEU 120 Cb 0.00 -0.14 0.00 0.00 0.03 0.00 0.00 46.19 46.08 1nee s LEU 120 CO 0.00 -0.41 0.00 0.00 0.23 0.00 0.00 176.35 176.17 1nee n LEU 121 N 0.09 0.00 -4.39 1.79 -0.00 -0.26 -1.39 117.00 112.85 1nee n LEU 121 Ca -0.13 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.57 1nee n LEU 121 Cb 0.60 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.88 1nee n LEU 121 CO 0.29 0.00 -0.53 -0.75 -0.00 0.00 0.00 177.39 176.41 1nee s LYS 122 N -2.00 2.08 -0.32 1.47 2.20 -0.91 -1.24 119.74 121.03 1nee s LYS 122 Ca 0.00 -0.95 0.18 0.00 -0.36 0.00 0.00 55.97 54.83 1nee s LYS 122 Cb 0.00 -2.12 0.46 0.00 -1.51 0.00 0.00 37.83 34.66 1nee s LYS 122 CO 0.00 0.55 1.05 0.00 -0.36 0.00 0.00 175.35 176.59 1nee h GLU 124 N 2.74 0.00 0.00 0.00 4.39 -1.89 -2.43 114.58 117.39 1nee h GLU 124 Ca -0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1nee h GLU 124 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1nee h GLU 124 CO 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.20 1nee n ALA 125 N -2.25 -0.10 -0.98 3.43 0.00 -1.26 -4.02 120.51 115.32 1nee n ALA 125 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 1nee n ALA 125 Cb 0.59 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.88 1nee n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nee n GLY 127 N 2.39 0.45 3.34 0.00 0.00 -1.00 -4.83 105.19 105.55 1nee n GLY 127 Ca 0.40 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 1nee n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nee s ALA 128 N -2.00 -1.12 0.02 4.61 0.00 -0.95 -3.83 121.76 118.49 1nee s ALA 128 Ca 0.00 0.95 -0.05 0.00 0.00 0.00 0.00 51.96 52.87 1nee s ALA 128 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 1nee s ALA 128 CO 0.00 -0.26 0.08 0.21 0.00 0.00 0.00 175.76 175.79 1nee s LYS 129 N -0.57 0.46 -0.42 0.00 2.47 -1.26 -4.64 119.74 115.79 1nee s LYS 129 Ca -0.07 -0.56 -0.21 0.00 -1.56 0.00 0.00 55.97 53.57 1nee s LYS 129 Cb -0.03 0.18 0.02 0.00 -1.46 0.00 0.00 37.83 36.54 1nee s LYS 129 CO 0.04 -0.10 0.66 0.00 0.16 0.00 0.00 175.35 176.10 1nee s ALA 130 N -1.76 3.36 -0.02 3.13 0.00 -0.37 -4.23 121.76 121.87 1nee s ALA 130 Ca -0.12 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 50.62 1nee s ALA 130 Cb -0.06 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 1nee s ALA 130 CO -0.01 -1.71 0.66 -1.00 0.00 0.00 0.00 175.76 173.71 1nee h PRO 131 N 8.80 -0.43 0.00 0.00 0.13 -1.83 -0.67 132.00 138.01 1nee h PRO 131 Ca -0.26 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1nee h PRO 131 Cb 1.10 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1nee h PRO 131 CO 0.89 -0.29 0.00 -0.11 -0.23 0.00 0.00 178.00 178.27 1nee n LEU 132 N -4.17 0.00 -4.71 1.56 0.00 -1.26 -4.01 117.00 104.41 1nee n LEU 132 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 56.01 55.72 1nee n LEU 132 Cb 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.53 1nee n LEU 132 CO 0.13 0.00 -0.22 -0.54 0.00 0.00 0.00 177.39 176.76 1nee s LYS 133 N 0.00 2.31 -0.35 1.96 -0.14 -1.26 -5.11 119.74 117.15 1nee s LYS 133 Ca 0.00 -1.58 -0.05 0.00 -1.36 0.00 0.00 55.97 52.97 1nee s LYS 133 Cb 0.00 -2.13 0.06 0.00 -1.68 0.00 0.00 37.83 34.08 1nee s LYS 133 CO 0.00 0.13 0.11 0.54 -0.76 0.00 0.00 175.35 175.37 1nee s ASN 134 N -3.81 5.26 0.00 2.83 4.22 -1.26 -5.20 114.94 116.97 1nee s ASN 134 Ca 0.37 -1.33 0.25 0.00 -2.14 0.00 0.00 52.86 50.00 1nee s ASN 134 Cb -0.02 -1.84 0.35 0.00 1.28 0.00 0.00 41.25 41.02 1nee s ASN 134 CO 0.22 -0.37 1.35 0.55 -2.04 0.00 0.00 177.10 176.81