#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n8k s ILE 4 N 0.00 1.59 -0.20 -0.08 1.01 -1.26 -2.65 121.20 119.60 3n8k s ILE 4 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 59.88 3n8k s ILE 4 Cb 0.00 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 3n8k s ILE 4 CO 0.00 0.46 0.10 -0.69 0.00 0.00 0.00 174.94 174.81 3n8k s VAL 5 N 1.09 5.05 -0.27 2.92 1.01 0.12 -3.95 120.40 126.38 3n8k s VAL 5 Ca -0.04 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.83 3n8k s VAL 5 Cb -0.14 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 3n8k s VAL 5 CO -0.04 0.42 0.50 0.20 0.00 0.00 0.00 175.10 176.18 3n8k s ASN 6 N 0.61 6.41 -0.35 3.32 0.01 -0.31 -1.67 114.94 122.97 3n8k s ASN 6 Ca 0.06 0.47 -0.09 0.00 -0.71 0.00 0.00 52.86 52.58 3n8k s ASN 6 Cb -0.12 -2.27 0.03 0.00 0.41 0.00 0.00 41.25 39.29 3n8k s ASN 6 CO 0.01 -0.29 0.15 -0.69 -1.51 0.00 0.00 177.10 174.77 3n8k s VAL 7 N 2.30 4.24 -0.14 1.60 1.01 0.57 0.73 120.40 130.72 3n8k s VAL 7 Ca 0.20 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.32 3n8k s VAL 7 Cb -0.16 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.89 3n8k s VAL 7 CO 0.09 -0.15 -0.19 -0.63 0.00 0.00 0.00 175.10 174.23 3n8k s ILE 8 N 1.50 2.38 -0.07 2.22 1.01 0.53 -0.47 121.20 128.31 3n8k s ILE 8 Ca 0.01 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.83 3n8k s ILE 8 Cb -0.19 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 3n8k s ILE 8 CO 0.05 0.54 -0.22 0.20 0.00 0.00 0.00 174.94 175.51 3n8k s ASN 9 N 0.69 3.32 0.65 3.58 0.01 -0.27 -1.29 114.94 121.63 3n8k s ASN 9 Ca -0.09 -0.45 0.00 0.00 -0.71 0.00 0.00 52.86 51.61 3n8k s ASN 9 Cb -0.16 -1.02 0.00 0.00 0.41 0.00 0.00 41.25 40.48 3n8k s ASN 9 CO 0.02 0.24 0.00 0.61 -1.51 0.00 0.00 177.10 176.45 3n8k n GLY 10 N 3.02 -0.49 3.62 0.66 0.00 0.20 -2.66 105.19 109.54 3n8k n GLY 10 Ca -0.18 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 3n8k n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n8k n PRO 11 N -0.80 1.05 0.00 1.61 -0.02 -1.08 -3.18 135.00 132.58 3n8k n PRO 11 Ca 0.00 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3n8k n PRO 11 Cb 0.00 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3n8k n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3n8k n ASN 12 N -0.51 0.00 0.00 2.55 3.02 -1.26 -4.43 115.26 114.64 3n8k n ASN 12 Ca 0.12 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.79 3n8k n ASN 12 Cb 0.46 -0.05 0.58 0.00 -0.61 0.00 0.00 39.78 40.15 3n8k n ASN 12 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3n8k n LEU 13 N 0.00 0.00 -0.12 3.41 4.32 -1.19 -2.23 117.00 121.19 3n8k n LEU 13 Ca 0.00 0.38 0.11 0.00 -0.02 0.00 0.00 56.01 56.47 3n8k n LEU 13 Cb 0.00 -0.38 0.58 0.00 -1.62 0.00 0.00 43.42 42.00 3n8k n LEU 13 CO 0.00 -0.07 0.88 0.61 -1.22 0.00 0.00 177.39 177.59 3n8k n GLY 14 N 0.89 -0.72 0.19 -0.72 0.00 -1.26 -3.38 105.19 100.19 3n8k n GLY 14 Ca 0.09 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.98 3n8k n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n8k n ARG 15 N -0.58 0.95 -1.41 1.61 5.12 -0.94 -4.78 116.66 116.62 3n8k n ARG 15 Ca 0.16 -2.08 -0.34 0.00 -1.93 0.00 0.00 57.85 53.66 3n8k n ARG 15 Cb 0.13 -1.19 0.09 0.00 -1.16 0.00 0.00 32.46 30.33 3n8k n ARG 15 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3n8k s LEU 16 N -1.99 3.30 0.00 0.55 2.96 -1.22 -2.58 118.68 119.70 3n8k s LEU 16 Ca 0.22 2.33 0.00 0.00 -0.22 0.00 0.00 54.13 56.46 3n8k s LEU 16 Cb 0.19 -4.59 0.00 0.00 0.50 0.00 0.00 46.19 42.29 3n8k s LEU 16 CO 0.02 -2.27 0.00 0.61 -1.32 0.00 0.00 176.35 173.39 3n8k n GLY 17 N 0.34 2.56 0.10 7.98 0.00 -0.68 -3.68 105.19 111.81 3n8k n GLY 17 Ca 0.13 -0.57 0.02 0.00 0.00 0.00 0.00 46.02 45.60 3n8k n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3n8k h ARG 18 N 0.00 0.00 -6.51 1.61 -0.00 -1.82 -3.40 114.38 104.26 3n8k h ARG 18 Ca 0.00 0.00 -0.55 0.00 -0.50 0.00 0.00 59.98 58.93 3n8k h ARG 18 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 29.90 3n8k h ARG 18 CO 0.00 0.24 1.02 0.50 0.00 0.00 0.00 179.97 181.73 3n8k s ARG 19 N -3.01 3.42 -0.54 0.04 3.00 -1.07 -4.46 118.95 116.34 3n8k s ARG 19 Ca -0.02 0.23 -0.27 0.00 -1.00 0.00 0.00 55.73 54.67 3n8k s ARG 19 Cb 0.09 -4.06 0.04 0.00 0.00 0.00 0.00 34.95 31.01 3n8k s ARG 19 CO 0.80 -1.81 0.65 -0.85 0.00 0.00 0.00 175.30 174.09 3n8k n GLU 20 N 8.63 -1.89 -0.02 5.12 0.28 -1.26 -4.57 120.64 126.93 3n8k n GLU 20 Ca 0.09 1.38 0.02 0.00 -0.16 0.00 0.00 57.16 58.48 3n8k n GLU 20 Cb 0.49 -2.71 0.35 0.00 1.43 0.00 0.00 31.44 31.00 3n8k n GLU 20 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 3n8k h PRO 21 N 1.52 0.58 0.00 3.44 0.11 -1.78 0.36 132.00 136.23 3n8k h PRO 21 Ca -0.49 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 65.42 3n8k h PRO 21 Cb 1.34 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3n8k h PRO 21 CO 0.26 0.48 -0.63 0.00 -0.21 0.00 0.00 178.00 177.89 3n8k h ALA 22 N 1.61 0.92 0.04 -0.75 0.00 -1.90 -2.67 119.26 116.52 3n8k h ALA 22 Ca 0.14 -0.57 -0.18 0.00 0.00 0.00 0.00 54.91 54.30 3n8k h ALA 22 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3n8k h ALA 22 CO -0.02 0.79 -0.96 0.28 0.00 0.00 0.00 179.25 179.34 3n8k h VAL 23 N 0.00 1.21 0.00 0.00 2.07 -1.76 -3.45 116.25 114.32 3n8k h VAL 23 Ca -0.01 -2.31 -0.06 0.00 0.82 0.00 0.00 66.70 65.15 3n8k h VAL 23 Cb 1.14 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 33.63 3n8k h VAL 23 CO 0.08 0.53 -0.90 -1.22 0.02 0.00 0.00 177.57 176.08 3n8k n TYR 24 N -4.30 0.00 -1.32 1.57 4.02 0.06 -4.58 117.16 112.61 3n8k n TYR 24 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 3n8k n TYR 24 Cb 0.70 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 3n8k n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3n8k n GLY 25 N 2.16 -0.78 2.53 2.72 0.00 -1.01 -4.81 105.19 105.99 3n8k n GLY 25 Ca -0.14 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.06 3n8k n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n8k n GLY 26 N -0.61 5.97 3.13 -0.02 0.00 -1.26 -4.05 105.19 108.35 3n8k n GLY 26 Ca 0.00 -2.76 -0.31 0.00 0.00 0.00 0.00 46.02 42.95 3n8k n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n8k s THR 27 N -5.45 1.88 0.96 2.61 2.01 -1.26 -4.86 115.64 111.52 3n8k s THR 27 Ca 0.48 -0.87 -0.13 0.00 0.31 0.00 0.00 61.69 61.48 3n8k s THR 27 Cb 0.39 -1.68 0.17 0.00 0.01 0.00 0.00 72.50 71.39 3n8k s THR 27 CO -0.20 0.51 1.13 0.42 -0.69 0.00 0.00 174.62 175.80 3n8k s THR 28 N 0.91 1.97 0.22 -0.82 -4.23 -1.26 -1.69 115.64 110.74 3n8k s THR 28 Ca -0.06 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.38 3n8k s THR 28 Cb -0.15 -2.66 0.12 0.00 1.34 0.00 0.00 72.50 71.14 3n8k s THR 28 CO -0.03 0.00 1.73 -0.74 -0.54 0.00 0.00 174.62 175.04 3n8k h HIS 29 N -1.71 1.11 -0.14 3.99 2.76 -1.83 -1.57 115.15 117.75 3n8k h HIS 29 Ca -0.51 -0.14 -0.19 0.00 -2.20 0.00 0.00 60.37 57.32 3n8k h HIS 29 Cb 1.33 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.98 3n8k h HIS 29 CO 0.07 0.92 -0.70 -0.44 -1.30 0.00 0.00 177.93 176.48 3n8k h ASP 30 N 0.99 0.72 1.06 3.26 3.32 -1.93 -3.20 116.42 120.64 3n8k h ASP 30 Ca 0.20 -0.45 -0.04 0.00 0.02 0.00 0.00 57.03 56.76 3n8k h ASP 30 Cb 0.40 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3n8k h ASP 30 CO 0.01 1.21 -0.21 -0.33 -1.72 0.00 0.00 179.24 178.20 3n8k h GLU 31 N 0.44 0.00 -0.19 3.56 5.08 -1.90 -3.16 114.58 118.40 3n8k h GLU 31 Ca -0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3n8k h GLU 31 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 3n8k h GLU 31 CO 0.13 0.21 -0.04 1.25 -1.00 0.00 0.00 179.01 179.56 3n8k h LEU 32 N 0.00 0.37 -0.94 1.33 5.85 -1.28 -2.55 115.31 118.09 3n8k h LEU 32 Ca -0.00 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.31 3n8k h LEU 32 Cb 0.79 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3n8k h LEU 32 CO 0.03 0.65 0.19 0.58 -0.34 0.00 0.00 178.44 179.55 3n8k h VAL 33 N 0.09 1.24 0.00 1.05 2.07 -1.60 -2.73 116.25 116.37 3n8k h VAL 33 Ca 0.05 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3n8k h VAL 33 Cb 0.48 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3n8k h VAL 33 CO 0.02 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.93 3n8k h ALA 34 N 1.27 1.00 0.20 1.67 0.00 -1.56 -3.30 119.26 118.55 3n8k h ALA 34 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.79 3n8k h ALA 34 Cb 0.27 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.09 3n8k h ALA 34 CO -0.01 0.00 -1.53 1.25 0.00 0.00 0.00 179.25 178.96 3n8k h LEU 35 N 0.00 0.67 -0.70 0.00 7.12 -1.15 -3.38 115.31 117.87 3n8k h LEU 35 Ca 0.00 -0.93 -0.12 0.00 0.13 0.00 0.00 57.88 56.96 3n8k h LEU 35 Cb 0.82 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.72 3n8k h LEU 35 CO 0.00 1.71 -0.32 0.40 -0.13 0.00 0.00 178.44 180.10 3n8k h ILE 36 N 0.04 1.28 0.00 4.05 2.04 -1.60 -3.24 117.51 120.08 3n8k h ILE 36 Ca -0.29 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 64.09 3n8k h ILE 36 Cb 2.05 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 39.53 3n8k h ILE 36 CO 0.20 0.47 -0.15 -0.33 0.00 0.00 0.00 178.15 178.34 3n8k h GLU 37 N 0.55 0.00 -0.21 2.37 5.08 -1.73 -2.80 114.58 117.84 3n8k h GLU 37 Ca 0.06 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 3n8k h GLU 37 Cb 0.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3n8k h GLU 37 CO 0.07 0.15 -0.48 0.00 -1.00 0.00 0.00 179.01 177.75 3n8k h ARG 38 N 0.00 0.54 -0.09 2.33 3.08 -1.75 -3.13 114.38 115.36 3n8k h ARG 38 Ca -0.00 -0.31 -0.14 0.00 0.07 0.00 0.00 59.98 59.60 3n8k h ARG 38 Cb 0.31 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3n8k h ARG 38 CO 0.02 0.90 -0.56 1.49 -1.07 0.00 0.00 179.97 180.75 3n8k h GLU 39 N 0.43 0.28 -0.58 0.04 4.57 -1.65 -2.68 114.58 114.99 3n8k h GLU 39 Ca 0.02 -0.18 -0.09 0.00 -1.18 0.00 0.00 59.36 57.94 3n8k h GLU 39 Cb 1.00 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.59 3n8k h GLU 39 CO 0.09 0.77 0.03 0.00 -1.18 0.00 0.00 179.01 178.71 3n8k h ALA 40 N 1.20 0.77 0.00 2.92 0.00 -1.55 -2.80 119.26 119.80 3n8k h ALA 40 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3n8k h ALA 40 Cb 1.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3n8k h ALA 40 CO 0.09 0.58 -0.08 0.00 0.00 0.00 0.00 179.25 179.85 3n8k h ALA 41 N 0.98 0.99 -0.22 0.00 0.00 -1.51 0.25 119.26 119.75 3n8k h ALA 41 Ca 0.17 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3n8k h ALA 41 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3n8k h ALA 41 CO 0.02 0.09 -0.26 1.49 0.00 0.00 0.00 179.25 180.60 3n8k h GLU 42 N 0.00 0.41 0.00 0.00 4.81 -1.19 -3.37 114.58 115.24 3n8k h GLU 42 Ca -0.00 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 58.98 3n8k h GLU 42 Cb 0.75 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3n8k h GLU 42 CO 0.01 0.64 -1.19 -0.11 -0.73 0.00 0.00 179.01 177.63 3n8k n LEU 43 N -4.13 1.73 0.00 1.64 0.00 -1.22 -5.06 117.00 109.97 3n8k n LEU 43 Ca -0.01 0.29 0.00 0.00 0.00 0.00 0.00 56.01 56.29 3n8k n LEU 43 Cb 0.40 -0.66 0.00 0.00 0.00 0.00 0.00 43.42 43.15 3n8k n LEU 43 CO 0.41 -0.14 0.00 0.61 0.00 0.00 0.00 177.39 178.27 3n8k n GLY 44 N 1.78 -0.47 3.22 -3.96 0.00 -0.91 -5.15 105.19 99.70 3n8k n GLY 44 Ca -0.20 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 3n8k n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n8k s LEU 45 N 0.00 1.20 -0.07 0.99 1.43 0.84 -4.96 118.68 118.11 3n8k s LEU 45 Ca 0.00 -1.31 0.05 0.00 -1.03 0.00 0.00 54.13 51.84 3n8k s LEU 45 Cb 0.00 0.49 -0.00 0.00 0.03 0.00 0.00 46.19 46.71 3n8k s LEU 45 CO 0.00 -0.84 -0.23 -0.75 0.23 0.00 0.00 176.35 174.76 3n8k s LYS 46 N -4.12 2.56 -0.15 1.70 2.20 -1.09 -3.59 119.74 117.25 3n8k s LYS 46 Ca 0.34 -0.82 -0.01 0.00 -0.36 0.00 0.00 55.97 55.12 3n8k s LYS 46 Cb 0.06 -2.07 -0.02 0.00 -1.51 0.00 0.00 37.83 34.30 3n8k s LYS 46 CO 0.09 0.26 -0.10 0.00 -0.36 0.00 0.00 175.35 175.25 3n8k s ALA 47 N 0.11 2.73 -0.31 3.13 0.00 -1.26 0.14 121.76 126.30 3n8k s ALA 47 Ca -0.10 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 3n8k s ALA 47 Cb -0.15 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.66 3n8k s ALA 47 CO 0.05 0.17 0.04 0.08 0.00 0.00 0.00 175.76 176.10 3n8k s VAL 48 N 0.48 3.36 -0.32 0.00 1.01 -0.67 -4.89 120.40 119.37 3n8k s VAL 48 Ca -0.07 -1.24 -0.12 0.00 0.00 0.00 0.00 61.98 60.55 3n8k s VAL 48 Cb -0.15 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3n8k s VAL 48 CO 0.04 -0.12 0.21 -0.69 0.00 0.00 0.00 175.10 174.54 3n8k s VAL 49 N 1.33 5.13 0.04 2.92 1.01 -1.26 -0.31 120.40 129.26 3n8k s VAL 49 Ca -0.03 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 61.83 3n8k s VAL 49 Cb -0.19 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 3n8k s VAL 49 CO 0.01 0.07 -0.17 -0.13 0.00 0.00 0.00 175.10 174.88 3n8k s ARG 50 N 1.71 1.10 -0.04 2.72 0.52 0.38 -5.01 118.95 120.33 3n8k s ARG 50 Ca 0.06 -0.84 -0.04 0.00 -0.52 0.00 0.00 55.73 54.39 3n8k s ARG 50 Cb -0.17 -1.15 0.01 0.00 0.52 0.00 0.00 34.95 34.16 3n8k s ARG 50 CO 0.10 0.29 0.11 -1.14 0.02 0.00 0.00 175.30 174.67 3n8k s GLN 51 N -1.18 0.14 0.02 3.54 -0.44 -1.26 -1.12 119.66 119.36 3n8k s GLN 51 Ca 0.04 0.11 -0.22 0.00 -2.50 0.00 0.00 55.36 52.79 3n8k s GLN 51 Cb -0.08 0.07 0.05 0.00 -1.64 0.00 0.00 33.01 31.40 3n8k s GLN 51 CO 0.02 -0.02 0.49 0.45 0.50 0.00 0.00 175.29 176.73 3n8k s SER 52 N -0.04 -0.41 0.00 6.67 0.15 -1.09 -5.01 113.70 113.98 3n8k s SER 52 Ca -0.01 0.23 0.25 0.00 0.70 0.00 0.00 55.95 57.12 3n8k s SER 52 Cb -0.01 0.46 0.48 0.00 -1.71 0.00 0.00 66.02 65.23 3n8k s SER 52 CO 0.00 -0.64 1.40 0.47 1.20 0.00 0.00 173.24 175.67 3n8k n ASP 53 N 0.67 1.67 -4.74 5.45 9.92 -1.26 -2.63 116.55 125.63 3n8k n ASP 53 Ca -0.19 -1.33 -0.36 0.00 -0.53 0.00 0.00 54.79 52.38 3n8k n ASP 53 Cb 0.59 0.21 -0.07 0.00 -0.64 0.00 0.00 41.12 41.21 3n8k n ASP 53 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3n8k s SER 54 N -2.36 6.45 0.14 -2.24 0.15 -1.26 -4.71 113.70 109.87 3n8k s SER 54 Ca 0.25 0.52 -0.16 0.00 0.70 0.00 0.00 55.95 57.27 3n8k s SER 54 Cb 0.19 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 3n8k s SER 54 CO 0.48 0.13 1.70 -0.08 1.20 0.00 0.00 173.24 176.67 3n8k h GLU 55 N 6.45 0.61 -0.93 5.44 4.81 -2.00 -2.77 114.58 126.19 3n8k h GLU 55 Ca -0.43 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 3n8k h GLU 55 Cb 1.17 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 3n8k h GLU 55 CO 0.74 0.56 0.55 0.00 -0.73 0.00 0.00 179.01 180.12 3n8k h ALA 56 N 1.02 1.21 -0.54 2.92 0.00 -1.99 -1.53 119.26 120.35 3n8k h ALA 56 Ca 0.14 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3n8k h ALA 56 Cb 0.17 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3n8k h ALA 56 CO -0.01 0.66 0.10 0.37 0.00 0.00 0.00 179.25 180.37 3n8k h GLN 57 N 1.29 0.89 -0.48 0.00 5.75 -1.97 -1.84 115.11 118.75 3n8k h GLN 57 Ca 0.33 -0.23 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 3n8k h GLN 57 Cb -0.03 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 3n8k h GLN 57 CO -0.06 0.86 0.17 -0.07 -2.65 0.00 0.00 178.83 177.08 3n8k h LEU 58 N 0.78 0.67 -0.87 -2.39 3.38 -1.18 -2.58 115.31 113.12 3n8k h LEU 58 Ca 0.17 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3n8k h LEU 58 Cb 0.40 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3n8k h LEU 58 CO 0.01 0.68 0.56 -0.07 0.09 0.00 0.00 178.44 179.70 3n8k h LEU 59 N 0.63 0.92 -0.73 1.67 3.38 -1.19 -2.62 115.31 117.38 3n8k h LEU 59 Ca 0.16 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3n8k h LEU 59 Cb 0.23 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3n8k h LEU 59 CO -0.01 0.63 0.46 -0.78 0.09 0.00 0.00 178.44 178.83 3n8k h ASP 60 N 1.07 0.77 0.02 -0.43 1.82 -1.03 -1.71 116.42 116.93 3n8k h ASP 60 Ca 0.35 -0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.92 3n8k h ASP 60 Cb 0.03 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 39.85 3n8k h ASP 60 CO -0.12 0.54 -0.18 -0.50 -1.61 0.00 0.00 179.24 177.36 3n8k h TRP 61 N 0.91 0.33 -0.18 0.28 6.55 -1.11 -2.44 115.95 120.30 3n8k h TRP 61 Ca 0.29 -0.05 -0.21 0.00 0.95 0.00 0.00 58.89 59.87 3n8k h TRP 61 Cb -0.00 -0.09 0.01 0.00 -0.86 0.00 0.00 29.16 28.21 3n8k h TRP 61 CO -0.04 0.48 -0.72 0.82 -1.05 0.00 0.00 178.44 177.93 3n8k h ILE 62 N 0.29 1.28 -0.87 1.49 2.04 -1.14 -2.07 117.51 118.54 3n8k h ILE 62 Ca 0.05 -1.93 -0.02 0.00 1.00 0.00 0.00 64.86 63.96 3n8k h ILE 62 Cb 0.49 1.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 3n8k h ILE 62 CO 0.03 0.61 0.45 0.45 0.00 0.00 0.00 178.15 179.69 3n8k h HIS 63 N 0.55 1.23 -0.36 1.37 3.86 -1.14 0.25 115.15 120.91 3n8k h HIS 63 Ca -0.04 -0.05 -0.11 0.00 -1.16 0.00 0.00 60.37 59.02 3n8k h HIS 63 Cb 1.34 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 3n8k h HIS 63 CO 0.08 0.87 -0.23 1.96 0.86 0.00 0.00 177.93 181.46 3n8k h GLN 64 N 1.23 0.71 0.00 2.45 4.20 -1.45 -1.43 115.11 120.83 3n8k h GLN 64 Ca 0.30 -0.28 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 3n8k h GLN 64 Cb 0.08 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3n8k h GLN 64 CO -0.04 0.88 -0.52 0.00 -0.67 0.00 0.00 178.83 178.48 3n8k h ALA 65 N 1.12 1.11 -0.19 3.87 0.00 -0.81 -1.81 119.26 122.55 3n8k h ALA 65 Ca 0.09 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 3n8k h ALA 65 Cb 0.73 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.44 3n8k h ALA 65 CO 0.06 0.65 -0.59 0.00 0.00 0.00 0.00 179.25 179.37 3n8k h ALA 66 N 1.48 0.33 -0.23 0.00 0.00 -0.25 -1.66 119.26 118.92 3n8k h ALA 66 Ca -0.01 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.23 3n8k h ALA 66 Cb 0.94 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3n8k h ALA 66 CO 0.07 0.57 -0.45 -0.44 0.00 0.00 0.00 179.25 179.00 3n8k h ASP 67 N 0.45 0.63 1.08 0.00 3.32 -1.18 -2.98 116.42 117.74 3n8k h ASP 67 Ca -0.02 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.73 3n8k h ASP 67 Cb 1.21 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.58 3n8k h ASP 67 CO 0.13 0.99 -0.24 0.00 -1.72 0.00 0.00 179.24 178.39 3n8k n ALA 68 N -2.51 2.64 -3.64 3.45 0.00 -0.69 -4.96 120.51 114.80 3n8k n ALA 68 Ca -0.02 -0.15 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 3n8k n ALA 68 Cb 0.54 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 18.71 3n8k n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n8k n ALA 69 N -1.70 -1.82 -2.72 0.00 0.00 -0.68 -5.01 120.51 108.58 3n8k n ALA 69 Ca 0.05 -0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.17 3n8k n ALA 69 Cb 0.40 -2.94 -0.08 0.00 0.00 0.00 0.00 19.45 16.83 3n8k n ALA 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3n8k s GLU 70 N -5.93 2.83 0.62 0.00 2.02 -0.90 -4.59 118.70 112.75 3n8k s GLU 70 Ca 0.18 -0.64 -0.18 0.00 0.02 0.00 0.00 54.97 54.35 3n8k s GLU 70 Cb -0.08 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 3n8k s GLU 70 CO 0.78 0.60 1.02 -2.30 0.02 0.00 0.00 175.26 175.38 3n8k n PRO 71 N 1.01 0.89 -3.92 0.39 -0.02 -1.25 -4.71 135.00 127.38 3n8k n PRO 71 Ca -0.12 0.35 -0.25 0.00 -2.02 0.00 0.00 63.50 61.46 3n8k n PRO 71 Cb 0.52 -2.23 -0.17 0.00 -0.02 0.00 0.00 33.50 31.60 3n8k n PRO 71 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3n8k s VAL 72 N -1.51 0.82 -0.29 -1.45 1.01 -1.04 -1.16 120.40 116.79 3n8k s VAL 72 Ca 0.78 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.46 3n8k s VAL 72 Cb -0.40 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3n8k s VAL 72 CO 0.45 0.33 0.23 -0.63 0.00 0.00 0.00 175.10 175.48 3n8k s ILE 73 N 1.68 5.28 -0.09 2.22 1.01 0.22 -1.72 121.20 129.80 3n8k s ILE 73 Ca 0.03 0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.88 3n8k s ILE 73 Cb -0.13 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.77 3n8k s ILE 73 CO -0.06 0.19 -0.12 -0.22 0.00 0.00 0.00 174.94 174.74 3n8k s LEU 74 N 1.82 1.53 -0.37 2.97 2.96 -0.99 -0.35 118.68 126.25 3n8k s LEU 74 Ca 0.08 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 3n8k s LEU 74 Cb -0.16 -0.89 0.11 0.00 0.50 0.00 0.00 46.19 45.75 3n8k s LEU 74 CO 0.11 -0.01 0.11 0.21 -1.32 0.00 0.00 176.35 175.45 3n8k s ASN 75 N 1.03 4.39 0.22 3.68 2.47 -0.41 -2.28 114.94 124.05 3n8k s ASN 75 Ca -0.07 -2.20 0.26 0.00 0.42 0.00 0.00 52.86 51.27 3n8k s ASN 75 Cb -0.15 -1.37 0.85 0.00 -1.45 0.00 0.00 41.25 39.14 3n8k s ASN 75 CO -0.01 -0.36 1.77 0.00 -3.72 0.00 0.00 177.10 174.78 3n8k n ALA 76 N 4.16 2.15 -0.42 1.71 0.00 -1.26 0.60 120.51 127.45 3n8k n ALA 76 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3n8k n ALA 76 Cb 0.40 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3n8k n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n8k n GLY 77 N 1.03 2.77 0.07 0.00 0.00 -1.26 -3.17 105.19 104.62 3n8k n GLY 77 Ca 0.05 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.92 3n8k n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n8k n GLY 78 N 0.00 -1.41 0.07 -0.02 0.00 -1.26 -2.92 105.19 99.65 3n8k n GLY 78 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.13 3n8k n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n8k n LEU 79 N -1.95 0.69 -0.32 0.99 4.77 -1.19 -4.18 117.00 115.81 3n8k n LEU 79 Ca 0.04 0.27 0.06 0.00 -0.03 0.00 0.00 56.01 56.35 3n8k n LEU 79 Cb 0.30 -0.21 0.26 0.00 -2.33 0.00 0.00 43.42 41.44 3n8k n LEU 79 CO 0.23 -0.06 1.24 0.74 -1.33 0.00 0.00 177.39 178.22 3n8k h THR 80 N 0.00 1.00 -0.43 -5.08 2.02 -1.71 -0.29 112.91 108.42 3n8k h THR 80 Ca 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3n8k h THR 80 Cb 0.73 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3n8k h THR 80 CO 0.00 0.18 0.00 0.00 0.37 0.00 0.00 175.52 176.07 3n8k n HIS 81 N -4.53 0.82 0.00 3.16 -0.00 -1.26 -0.85 115.22 112.56 3n8k n HIS 81 Ca 0.16 -0.60 0.00 0.00 -0.00 0.00 0.00 57.72 57.27 3n8k n HIS 81 Cb 0.27 -0.13 0.00 0.00 -0.00 0.00 0.00 29.99 30.14 3n8k n HIS 81 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3n8k n THR 82 N 0.53 0.00 -2.89 0.61 -2.24 -1.02 -4.82 114.28 104.46 3n8k n THR 82 Ca 0.18 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.53 3n8k n THR 82 Cb 0.64 -0.37 -0.05 0.00 -2.10 0.00 0.00 70.33 68.46 3n8k n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3n8k s SER 83 N -3.72 6.52 0.10 3.42 0.15 -0.15 -4.88 113.70 115.13 3n8k s SER 83 Ca 0.00 0.20 -0.05 0.00 0.70 0.00 0.00 55.95 56.79 3n8k s SER 83 Cb 0.00 -2.42 -0.21 0.00 -1.71 0.00 0.00 66.02 61.68 3n8k s SER 83 CO 0.00 -0.90 1.20 0.58 1.20 0.00 0.00 173.24 175.32 3n8k h VAL 84 N 5.93 1.44 -0.98 4.45 2.07 -1.96 -3.16 116.25 124.04 3n8k h VAL 84 Ca -0.24 -2.75 0.12 0.00 0.82 0.00 0.00 66.70 64.64 3n8k h VAL 84 Cb 1.08 2.72 -0.08 0.00 -1.52 0.00 0.00 31.29 33.49 3n8k h VAL 84 CO 0.97 0.81 0.62 0.00 0.02 0.00 0.00 177.57 180.00 3n8k h ALA 85 N 0.61 1.56 -0.33 1.67 0.00 -1.98 0.33 119.26 121.12 3n8k h ALA 85 Ca -0.12 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3n8k h ALA 85 Cb 1.81 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 3n8k h ALA 85 CO 0.19 0.20 -0.33 1.25 0.00 0.00 0.00 179.25 180.57 3n8k h LEU 86 N 0.96 0.77 -0.87 0.00 5.85 -1.94 -2.92 115.31 117.16 3n8k h LEU 86 Ca 0.48 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 3n8k h LEU 86 Cb 0.48 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3n8k h LEU 86 CO -0.24 1.04 0.13 -0.09 -0.34 0.00 0.00 178.44 178.94 3n8k h ARG 87 N 0.62 0.97 -0.49 1.25 2.43 -1.19 -2.99 114.38 114.99 3n8k h ARG 87 Ca 0.07 -0.22 -0.08 0.00 -0.81 0.00 0.00 59.98 58.94 3n8k h ARG 87 Cb 0.86 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 3n8k h ARG 87 CO 0.07 0.87 -0.00 -0.44 -1.51 0.00 0.00 179.97 178.96 3n8k h ASP 88 N 0.92 0.78 -0.40 -3.80 3.32 -0.84 -2.78 116.42 113.63 3n8k h ASP 88 Ca 0.19 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 3n8k h ASP 88 Cb 0.36 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3n8k h ASP 88 CO 0.00 0.85 -0.17 0.00 -1.72 0.00 0.00 179.24 178.21 3n8k h ALA 89 N 1.24 0.84 0.00 3.45 0.00 -1.45 -2.98 119.26 120.36 3n8k h ALA 89 Ca 0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3n8k h ALA 89 Cb 0.46 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3n8k h ALA 89 CO 0.02 0.64 -0.12 0.00 0.00 0.00 0.00 179.25 179.80 3n8k h ALA 91 N 1.88 1.12 0.00 0.00 0.00 -1.33 -2.56 119.26 118.38 3n8k h ALA 91 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3n8k h ALA 91 Cb 0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3n8k h ALA 91 CO 0.02 0.12 -0.07 0.93 0.00 0.00 0.00 179.25 180.24 3n8k h GLU 92 N 0.00 0.00 -6.26 0.00 5.08 -1.63 -3.45 114.58 108.32 3n8k h GLU 92 Ca -0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3n8k h GLU 92 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3n8k h GLU 92 CO 0.01 0.07 1.07 -0.51 -1.00 0.00 0.00 179.01 178.65 3n8k s LEU 93 N -6.33 4.31 -0.07 1.33 1.43 -0.97 -4.90 118.68 113.49 3n8k s LEU 93 Ca 0.03 2.19 0.03 0.00 -1.03 0.00 0.00 54.13 55.34 3n8k s LEU 93 Cb 0.08 -3.53 -0.25 0.00 0.03 0.00 0.00 46.19 42.52 3n8k s LEU 93 CO 0.60 -0.91 0.56 0.77 0.23 0.00 0.00 176.35 177.61 3n8k h SER 94 N 9.37 0.22 -4.19 2.29 4.64 -1.88 -3.47 113.55 120.53 3n8k h SER 94 Ca -0.38 -0.47 -0.49 0.00 -0.47 0.00 0.00 61.79 59.98 3n8k h SER 94 Cb 1.17 -0.07 0.06 0.00 -0.31 0.00 0.00 62.40 63.25 3n8k h SER 94 CO 0.95 1.42 0.38 0.00 -0.87 0.00 0.00 176.83 178.71 3n8k s ALA 95 N -2.58 2.76 0.20 5.18 0.00 -1.26 -4.96 121.76 121.10 3n8k s ALA 95 Ca -0.13 0.39 -0.32 0.00 0.00 0.00 0.00 51.96 51.90 3n8k s ALA 95 Cb 0.07 -3.23 -0.14 0.00 0.00 0.00 0.00 23.12 19.82 3n8k s ALA 95 CO 0.80 -0.77 1.35 -2.30 0.00 0.00 0.00 175.76 174.85 3n8k n PRO 96 N -1.99 1.76 -4.58 0.00 -0.02 -1.26 -4.78 135.00 124.14 3n8k n PRO 96 Ca 0.09 0.63 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 3n8k n PRO 96 Cb 0.53 -2.25 -0.13 0.00 -0.02 0.00 0.00 33.50 31.63 3n8k n PRO 96 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3n8k s LEU 97 N 0.36 2.98 -0.09 2.45 2.96 -1.26 -2.49 118.68 123.59 3n8k s LEU 97 Ca 0.72 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.41 3n8k s LEU 97 Cb -0.72 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.29 3n8k s LEU 97 CO 0.49 0.16 -0.11 -0.51 -1.32 0.00 0.00 176.35 175.07 3n8k s ILE 98 N 0.37 1.14 -0.17 6.68 -1.16 -0.70 0.45 121.20 127.81 3n8k s ILE 98 Ca -0.07 -0.42 -0.19 0.00 -0.51 0.00 0.00 60.65 59.45 3n8k s ILE 98 Cb -0.15 -1.09 -0.03 0.00 0.61 0.00 0.00 42.46 41.80 3n8k s ILE 98 CO 0.04 0.37 0.56 -0.70 -2.81 0.00 0.00 174.94 172.40 3n8k s GLU 99 N 1.16 4.25 -0.08 3.50 2.12 -0.30 -2.36 118.70 126.98 3n8k s GLU 99 Ca -0.05 0.52 0.05 0.00 0.36 0.00 0.00 54.97 55.85 3n8k s GLU 99 Cb -0.14 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.71 3n8k s GLU 99 CO -0.02 -0.09 -0.24 0.08 -0.54 0.00 0.00 175.26 174.44 3n8k s VAL 100 N 1.44 2.07 -0.08 3.70 1.01 -0.96 -0.57 120.40 127.01 3n8k s VAL 100 Ca 0.27 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 3n8k s VAL 100 Cb -0.16 -1.77 0.03 0.00 0.00 0.00 0.00 36.38 34.48 3n8k s VAL 100 CO 0.11 0.57 -0.01 -1.00 0.00 0.00 0.00 175.10 174.76 3n8k s HIS 101 N 0.09 0.80 0.21 5.22 3.76 -0.08 -4.23 115.29 121.06 3n8k s HIS 101 Ca -0.11 -0.26 -0.07 0.00 -0.15 0.00 0.00 55.06 54.46 3n8k s HIS 101 Cb -0.16 -0.87 0.16 0.00 1.11 0.00 0.00 32.58 32.82 3n8k s HIS 101 CO 0.06 -0.36 1.74 -0.84 -0.85 0.00 0.00 174.74 174.49 3n8k h ILE 102 N 6.30 1.26 -2.89 0.60 3.07 -1.86 0.12 117.51 124.11 3n8k h ILE 102 Ca -0.22 -0.95 -0.61 0.00 1.55 0.00 0.00 64.86 64.63 3n8k h ILE 102 Cb 1.13 0.53 -0.04 0.00 -0.27 0.00 0.00 36.82 38.17 3n8k h ILE 102 CO 0.29 0.37 -0.48 -0.94 -1.05 0.00 0.00 178.15 176.34 3n8k s SER 103 N -6.47 6.37 -0.71 2.16 1.04 -1.26 -1.55 113.70 113.28 3n8k s SER 103 Ca -0.12 0.29 -0.26 0.00 0.48 0.00 0.00 55.95 56.34 3n8k s SER 103 Cb 0.15 -1.97 -0.00 0.00 0.10 0.00 0.00 66.02 64.30 3n8k s SER 103 CO 0.84 0.14 1.67 0.21 0.98 0.00 0.00 173.24 177.08 3n8k s ASN 104 N -2.60 5.60 0.47 7.02 2.47 -1.26 -3.42 114.94 123.22 3n8k s ASN 104 Ca 0.36 -0.12 0.21 0.00 0.42 0.00 0.00 52.86 53.72 3n8k s ASN 104 Cb -0.13 -2.54 1.15 0.00 -1.45 0.00 0.00 41.25 38.28 3n8k s ASN 104 CO 0.28 -2.20 1.98 -0.37 -3.72 0.00 0.00 177.10 173.06 3n8k h VAL 105 N 6.66 0.85 0.00 -5.21 -1.51 -1.92 -2.20 116.25 112.92 3n8k h VAL 105 Ca -0.20 -0.77 -0.07 0.00 -1.23 0.00 0.00 66.70 64.43 3n8k h VAL 105 Cb 1.10 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.71 3n8k h VAL 105 CO 1.25 0.20 -0.32 0.45 -1.23 0.00 0.00 177.57 177.91 3n8k h HIS 106 N 0.00 0.00 0.00 5.19 3.86 -1.89 -2.52 115.15 119.79 3n8k h HIS 106 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3n8k h HIS 106 Cb 0.44 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 3n8k h HIS 106 CO 0.00 0.32 -0.18 0.00 0.86 0.00 0.00 177.93 178.93 3n8k h ALA 107 N 1.68 0.91 -3.00 2.45 0.00 -1.81 -3.46 119.26 116.03 3n8k h ALA 107 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3n8k h ALA 107 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3n8k h ALA 107 CO 0.04 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.87 3n8k n ARG 108 N -3.05 3.16 -1.81 0.00 5.12 -0.95 -5.03 116.66 114.09 3n8k n ARG 108 Ca 0.03 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.63 3n8k n ARG 108 Cb 0.55 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.88 3n8k n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3n8k s GLU 109 N 0.00 3.14 0.30 5.56 2.02 -1.26 -4.97 118.70 123.48 3n8k s GLU 109 Ca 0.00 1.07 -0.02 0.00 0.02 0.00 0.00 54.97 56.04 3n8k s GLU 109 Cb 0.00 -2.01 0.44 0.00 0.10 0.00 0.00 34.13 32.66 3n8k s GLU 109 CO 0.00 -0.95 1.96 1.49 0.02 0.00 0.00 175.26 177.78 3n8k h GLU 110 N -0.13 1.07 0.00 1.61 4.22 -1.94 -2.49 114.58 116.92 3n8k h GLU 110 Ca -0.45 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 58.91 3n8k h GLU 110 Cb 1.21 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3n8k h GLU 110 CO 0.57 0.72 0.00 1.97 -2.18 0.00 0.00 179.01 180.09 3n8k n PHE 111 N -4.40 0.17 1.13 0.92 1.16 -1.26 -2.33 117.46 112.84 3n8k n PHE 111 Ca 0.09 0.06 0.10 0.00 -1.87 0.00 0.00 57.45 55.84 3n8k n PHE 111 Cb 0.04 -0.60 0.35 0.00 -1.61 0.00 0.00 39.48 37.66 3n8k n PHE 111 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3n8k n ARG 112 N -1.65 1.81 0.00 3.97 1.74 -0.94 -4.03 116.66 117.56 3n8k n ARG 112 Ca 0.04 -1.21 0.12 0.00 -0.77 0.00 0.00 57.85 56.03 3n8k n ARG 112 Cb 0.21 -1.40 0.19 0.00 -1.02 0.00 0.00 32.46 30.44 3n8k n ARG 112 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3n8k n ARG 113 N 0.44 2.17 -3.21 5.56 1.74 -0.98 -4.62 116.66 117.77 3n8k n ARG 113 Ca 0.16 -1.71 -0.25 0.00 -0.77 0.00 0.00 57.85 55.28 3n8k n ARG 113 Cb 0.35 -1.46 -0.06 0.00 -1.02 0.00 0.00 32.46 30.27 3n8k n ARG 113 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3n8k n HIS 114 N 1.08 2.28 -2.46 -1.55 8.25 -1.26 -5.03 115.22 116.54 3n8k n HIS 114 Ca 0.15 -3.93 -0.40 0.00 -0.26 0.00 0.00 57.72 53.28 3n8k n HIS 114 Cb 0.55 -0.47 -0.04 0.00 1.12 0.00 0.00 29.99 31.14 3n8k n HIS 114 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3n8k s SER 115 N -2.44 7.22 0.25 0.41 1.04 -1.26 -4.71 113.70 114.20 3n8k s SER 115 Ca 0.41 2.28 0.25 0.00 0.48 0.00 0.00 55.95 59.38 3n8k s SER 115 Cb 0.22 -2.63 0.90 0.00 0.10 0.00 0.00 66.02 64.62 3n8k s SER 115 CO -0.08 -0.18 1.75 -1.22 0.98 0.00 0.00 173.24 174.49 3n8k n TYR 116 N 1.12 0.92 -0.01 5.02 4.01 -0.03 -3.83 117.16 124.35 3n8k n TYR 116 Ca -0.01 0.31 0.01 0.00 -0.16 0.00 0.00 57.90 58.06 3n8k n TYR 116 Cb 0.45 -1.01 -0.12 0.00 -0.31 0.00 0.00 39.34 38.35 3n8k n TYR 116 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3n8k n LEU 117 N -2.29 0.39 -0.17 7.72 4.77 -1.26 -4.47 117.00 121.69 3n8k n LEU 117 Ca 0.04 0.17 -0.06 0.00 -0.03 0.00 0.00 56.01 56.12 3n8k n LEU 117 Cb 0.33 0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.61 3n8k n LEU 117 CO 0.25 0.18 1.08 0.28 -1.33 0.00 0.00 177.39 177.85 3n8k h SER 118 N 0.00 0.57 0.38 -1.43 0.02 -1.93 -2.28 113.55 108.88 3n8k h SER 118 Ca -0.21 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 3n8k h SER 118 Cb 1.56 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.97 3n8k h SER 118 CO 0.03 0.41 -0.08 -0.65 -1.14 0.00 0.00 176.83 175.40 3n8k h PRO 119 N 0.68 0.00 0.00 3.45 0.11 -1.80 -3.00 132.00 131.43 3n8k h PRO 119 Ca 0.20 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 3n8k h PRO 119 Cb -0.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3n8k h PRO 119 CO -0.06 0.08 -1.99 0.44 -0.21 0.00 0.00 178.00 176.26 3n8k n ILE 120 N -3.49 0.16 -1.84 4.15 -5.35 -1.16 -4.98 119.36 106.85 3n8k n ILE 120 Ca -0.02 -0.54 -0.32 0.00 -0.27 0.00 0.00 62.75 61.61 3n8k n ILE 120 Cb 0.21 -0.06 0.03 0.00 -1.74 0.00 0.00 39.64 38.08 3n8k n ILE 120 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3n8k s ALA 121 N -3.42 2.69 0.04 -1.28 0.00 -0.87 -4.95 121.76 113.98 3n8k s ALA 121 Ca -0.08 0.29 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 3n8k s ALA 121 Cb 0.13 -3.22 -0.15 0.00 0.00 0.00 0.00 23.12 19.88 3n8k s ALA 121 CO 0.90 -1.01 1.29 1.15 0.00 0.00 0.00 175.76 178.09 3n8k h THR 122 N -0.03 1.36 -4.14 0.00 2.02 -0.31 -3.48 112.91 108.33 3n8k h THR 122 Ca -0.46 -1.55 -0.14 0.00 0.77 0.00 0.00 66.41 65.03 3n8k h THR 122 Cb 1.22 2.01 -0.14 0.00 -1.74 0.00 0.00 68.15 69.51 3n8k h THR 122 CO 0.57 0.46 -0.47 -0.83 0.37 0.00 0.00 175.52 175.62 3n8k s GLY 123 N -3.66 0.75 -0.05 2.16 0.00 -1.16 -5.05 107.32 100.30 3n8k s GLY 123 Ca -0.14 -1.18 -0.01 0.00 0.00 0.00 0.00 44.72 43.40 3n8k s GLY 123 CO 0.79 -1.08 0.02 0.14 0.00 0.00 0.00 173.10 172.97 3n8k s VAL 124 N -4.01 0.17 -0.19 1.40 1.01 -1.26 -1.15 120.40 116.36 3n8k s VAL 124 Ca 0.21 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.40 3n8k s VAL 124 Cb 0.05 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 36.11 3n8k s VAL 124 CO 0.02 0.20 -0.17 -0.63 0.00 0.00 0.00 175.10 174.52 3n8k s ILE 125 N 1.74 2.25 0.03 2.22 1.01 0.26 -4.99 121.20 123.72 3n8k s ILE 125 Ca 0.00 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.76 3n8k s ILE 125 Cb -0.13 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 3n8k s ILE 125 CO -0.03 0.47 -0.13 0.54 0.00 0.00 0.00 174.94 175.79 3n8k s VAL 126 N 1.30 1.04 0.00 2.92 0.11 -1.26 -0.90 120.40 123.61 3n8k s VAL 126 Ca 0.04 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 3n8k s VAL 126 Cb -0.14 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 3n8k s VAL 126 CO -0.11 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.33 3n8k n GLY 127 N 2.12 0.56 1.91 6.54 0.00 0.43 -4.82 105.19 111.93 3n8k n GLY 127 Ca -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 3n8k n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n8k n LEU 128 N 0.00 5.76 0.00 0.99 4.77 -1.23 -4.61 117.00 122.68 3n8k n LEU 128 Ca 0.00 -2.99 0.00 0.00 -0.03 0.00 0.00 56.01 52.99 3n8k n LEU 128 Cb 0.06 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 3n8k n LEU 128 CO 0.00 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3n8k n GLY 129 N -0.03 0.96 0.21 -0.72 0.00 -0.59 -3.36 105.19 101.66 3n8k n GLY 129 Ca 0.37 -0.68 0.06 0.00 0.00 0.00 0.00 46.02 45.76 3n8k n GLY 129 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3n8k h ILE 130 N 0.00 1.03 0.00 -0.61 2.10 -1.89 -2.83 117.51 115.31 3n8k h ILE 130 Ca 0.00 -1.02 0.00 0.00 1.08 0.00 0.00 64.86 64.92 3n8k h ILE 130 Cb 0.00 1.58 0.00 0.00 -1.09 0.00 0.00 36.82 37.31 3n8k h ILE 130 CO 0.00 0.28 0.00 1.67 -1.08 0.00 0.00 178.15 179.02 3n8k n GLN 131 N -3.95 0.18 -0.34 2.19 7.27 -1.21 -2.61 117.38 118.91 3n8k n GLN 131 Ca -0.02 0.49 0.06 0.00 0.07 0.00 0.00 57.00 57.60 3n8k n GLN 131 Cb 0.35 -1.91 0.22 0.00 2.41 0.00 0.00 30.24 31.31 3n8k n GLN 131 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 3n8k h GLY 132 N 1.63 1.53 1.03 1.69 0.00 -1.54 0.20 103.07 107.60 3n8k h GLY 132 Ca 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 3n8k h GLY 132 CO 0.00 0.14 0.09 -0.97 0.00 0.00 0.00 176.54 175.80 3n8k h TYR 133 N 0.92 1.04 -0.26 5.60 -1.99 -1.74 -2.73 116.97 117.80 3n8k h TYR 133 Ca 0.47 -0.15 -0.17 0.00 2.00 0.00 0.00 58.73 60.88 3n8k h TYR 133 Cb 0.46 -0.28 -0.00 0.00 2.00 0.00 0.00 36.73 38.91 3n8k h TYR 133 CO -0.03 0.90 -0.52 -0.07 -0.00 0.00 0.00 178.16 178.45 3n8k h LEU 134 N 0.87 0.83 -1.01 3.88 3.38 -1.35 -2.70 115.31 119.21 3n8k h LEU 134 Ca 0.18 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 3n8k h LEU 134 Cb 0.43 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3n8k h LEU 134 CO 0.01 1.19 -0.36 -0.07 0.09 0.00 0.00 178.44 179.30 3n8k h LEU 135 N 0.58 0.00 -0.68 1.67 3.38 -0.71 -2.84 115.31 116.70 3n8k h LEU 135 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 3n8k h LEU 135 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3n8k h LEU 135 CO 0.11 0.36 -0.50 0.00 0.09 0.00 0.00 178.44 178.50 3n8k h ALA 136 N 1.64 0.86 -0.22 1.53 0.00 -1.31 -3.06 119.26 118.70 3n8k h ALA 136 Ca -0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 3n8k h ALA 136 Cb 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3n8k h ALA 136 CO 0.05 0.67 -0.37 -0.07 0.00 0.00 0.00 179.25 179.53 3n8k h LEU 137 N 0.32 0.49 -0.63 0.00 3.38 -1.25 -3.01 115.31 114.61 3n8k h LEU 137 Ca 0.01 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.63 3n8k h LEU 137 Cb 0.99 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3n8k h LEU 137 CO 0.09 0.82 -0.60 -0.09 0.09 0.00 0.00 178.44 178.75 3n8k h ARG 138 N 0.40 0.28 -0.48 1.13 2.43 -1.49 -2.95 114.38 113.69 3n8k h ARG 138 Ca 0.04 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 3n8k h ARG 138 Cb 0.83 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 3n8k h ARG 138 CO 0.07 0.80 0.18 -0.92 -1.51 0.00 0.00 179.97 178.59 3n8k h TYR 139 N 0.21 0.75 0.00 2.20 3.20 -1.50 -3.09 116.97 118.73 3n8k h TYR 139 Ca -0.01 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.78 3n8k h TYR 139 Cb 1.11 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 3n8k h TYR 139 CO 0.02 0.64 -0.09 -0.07 -1.64 0.00 0.00 178.16 177.02 3n8k h LEU 140 N 0.64 0.00 -0.13 2.82 3.38 -1.39 -2.09 115.31 118.54 3n8k h LEU 140 Ca 0.16 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 3n8k h LEU 140 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3n8k h LEU 140 CO -0.01 0.09 -0.60 0.00 0.09 0.00 0.00 178.44 178.01 3n8k h ALA 141 N 1.91 0.24 0.00 1.53 0.00 -1.44 -3.21 119.26 118.30 3n8k h ALA 141 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3n8k h ALA 141 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3n8k h ALA 141 CO 0.01 0.49 0.00 0.93 0.00 0.00 0.00 179.25 180.69 3n8k h GLU 142 N 0.28 0.00 -0.00 0.00 3.07 -1.51 -3.53 114.58 112.90 3n8k h GLU 142 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3n8k h GLU 142 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 3n8k h GLU 142 CO 0.12 0.00 0.00 0.72 -1.40 0.00 0.00 179.01 178.45