#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 5.05 -0.12 -0.08 1.01 -1.26 -0.07 121.20 125.73 3n8k s ILE 4 Ca 0.00 1.36 0.03 0.00 0.00 0.00 0.00 60.65 62.04 3n8k s ILE 4 Cb 0.00 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.47 3n8k s ILE 4 CO 0.00 0.22 -0.20 -0.69 0.00 0.00 0.00 174.94 174.26 3n8k s VAL 5 N 1.07 1.87 -0.36 2.92 1.01 0.89 -4.09 120.40 123.71 3n8k s VAL 5 Ca 0.35 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 3n8k s VAL 5 Cb -0.17 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 3n8k s VAL 5 CO 0.15 0.52 0.50 0.20 0.00 0.00 0.00 175.10 176.47 3n8k s ASN 6 N 0.70 6.30 -0.34 3.32 0.01 -0.40 -1.35 114.94 123.18 3n8k s ASN 6 Ca -0.11 -0.09 -0.13 0.00 -0.71 0.00 0.00 52.86 51.81 3n8k s ASN 6 Cb -0.16 -2.26 -0.01 0.00 0.41 0.00 0.00 41.25 39.22 3n8k s ASN 6 CO 0.02 -0.49 0.25 -0.69 -1.51 0.00 0.00 177.10 174.68 3n8k s VAL 7 N 2.36 5.28 -0.18 1.60 1.01 -0.23 0.09 120.40 130.33 3n8k s VAL 7 Ca 0.18 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3n8k s VAL 7 Cb -0.16 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.51 3n8k s VAL 7 CO 0.13 -0.03 -0.19 -0.63 0.00 0.00 0.00 175.10 174.38 3n8k s ILE 8 N 1.73 2.13 -0.15 2.22 1.01 0.64 -0.92 121.20 127.87 3n8k s ILE 8 Ca 0.06 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 3n8k s ILE 8 Cb -0.17 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 3n8k s ILE 8 CO 0.11 0.54 -0.02 0.20 0.00 0.00 0.00 174.94 175.77 3n8k s ASN 9 N 1.26 5.01 0.12 3.58 0.01 0.11 -1.35 114.94 123.67 3n8k s ASN 9 Ca 0.04 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.15 3n8k s ASN 9 Cb -0.13 -1.74 0.00 0.00 0.41 0.00 0.00 41.25 39.79 3n8k s ASN 9 CO -0.12 0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.30 3n8k n GLY 10 N 3.26 0.32 3.61 0.66 0.00 0.18 -2.02 105.19 111.21 3n8k n GLY 10 Ca -0.17 -1.81 -0.44 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.20 1.52 -0.65 1.61 -0.02 -1.11 -2.79 135.00 133.35 3n8k n PRO 11 Ca 0.00 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3n8k n PRO 11 Cb 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 1.14 0.00 0.12 2.55 3.02 -1.26 -4.44 115.26 116.39 3n8k n ASN 12 Ca 0.09 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.76 3n8k n ASN 12 Cb 0.33 -1.01 0.29 0.00 -0.61 0.00 0.00 39.78 38.78 3n8k n ASN 12 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3n8k h LEU 13 N 0.00 0.00 -0.18 3.41 4.07 -1.88 -2.84 115.31 117.89 3n8k h LEU 13 Ca 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.92 3n8k h LEU 13 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3n8k h LEU 13 CO 0.00 0.02 0.00 0.61 -1.08 0.00 0.00 178.44 177.99 3n8k n GLY 14 N 1.27 -1.18 0.52 0.83 0.00 -1.26 -3.08 105.19 102.29 3n8k n GLY 14 Ca 0.05 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.73 1.62 -1.57 1.61 5.12 -1.07 -4.70 116.66 115.94 3n8k n ARG 15 Ca 0.04 -1.04 -0.45 0.00 -1.93 0.00 0.00 57.85 54.46 3n8k n ARG 15 Cb 0.22 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 30.03 3n8k n ARG 15 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3n8k n LEU 16 N 0.22 1.46 0.00 0.55 4.77 -1.18 -2.36 117.00 120.46 3n8k n LEU 16 Ca 0.17 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.32 3n8k n LEU 16 Cb 0.40 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 3n8k n LEU 16 CO 0.18 -1.55 0.00 0.61 -1.33 0.00 0.00 177.39 175.30 3n8k n GLY 17 N 1.37 2.43 0.12 -0.72 0.00 -1.10 -3.89 105.19 103.40 3n8k n GLY 17 Ca 0.11 -0.75 0.10 0.00 0.00 0.00 0.00 46.02 45.48 3n8k n GLY 17 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3n8k h ARG 18 N 0.00 0.00 -6.19 1.61 0.11 -1.85 -3.42 114.38 104.64 3n8k h ARG 18 Ca 0.00 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.51 3n8k h ARG 18 Cb 0.00 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.03 3n8k h ARG 18 CO 0.00 0.05 0.88 0.50 0.10 0.00 0.00 179.97 181.51 3n8k s ARG 19 N -3.28 4.15 -0.24 0.08 3.00 -1.00 -4.47 118.95 117.20 3n8k s ARG 19 Ca -0.00 1.41 -0.01 0.00 -1.00 0.00 0.00 55.73 56.13 3n8k s ARG 19 Cb 0.09 -3.75 0.00 0.00 0.00 0.00 0.00 34.95 31.29 3n8k s ARG 19 CO 0.78 -0.80 0.18 0.39 0.00 0.00 0.00 175.30 175.86 3n8k n GLU 20 N 6.72 -0.48 -0.08 5.12 1.02 -1.26 -4.52 120.64 127.16 3n8k n GLU 20 Ca 0.13 0.25 0.09 0.00 -0.02 0.00 0.00 57.16 57.61 3n8k n GLU 20 Cb 0.46 -0.66 0.45 0.00 -0.02 0.00 0.00 31.44 31.67 3n8k n GLU 20 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3n8k h PRO 21 N 0.61 0.50 0.00 3.49 0.11 -1.78 0.25 132.00 135.18 3n8k h PRO 21 Ca -0.19 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.86 3n8k h PRO 21 Cb 0.42 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 3n8k h PRO 21 CO 0.11 0.33 -0.15 0.00 -0.21 0.00 0.00 178.00 178.08 3n8k h ALA 22 N 1.69 1.23 0.02 -0.75 0.00 -1.87 0.08 119.26 119.66 3n8k h ALA 22 Ca 0.25 -0.13 -0.39 0.00 0.00 0.00 0.00 54.91 54.64 3n8k h ALA 22 Cb 0.32 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3n8k h ALA 22 CO -0.07 0.18 -2.24 0.28 0.00 0.00 0.00 179.25 177.41 3n8k n VAL 23 N -3.59 1.56 0.42 0.00 0.31 -0.31 -4.73 118.33 111.99 3n8k n VAL 23 Ca -0.01 -0.45 0.04 0.00 -0.01 0.00 0.00 64.34 63.91 3n8k n VAL 23 Cb 0.28 -1.71 -0.02 0.00 -0.91 0.00 0.00 33.84 31.48 3n8k n VAL 23 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3n8k n TYR 24 N -3.77 0.00 0.00 3.52 4.02 -0.08 -4.42 117.16 116.43 3n8k n TYR 24 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.45 3n8k n TYR 24 Cb 0.93 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.25 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 1.02 -0.30 0.96 2.72 0.00 0.01 -4.75 105.19 104.86 3n8k n GLY 25 Ca 0.03 -1.82 0.10 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.33 1.74 3.70 -0.02 0.00 -1.26 -4.00 105.19 105.02 3n8k n GLY 26 Ca 0.00 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.24 4.62 0.74 2.61 2.01 -1.26 -4.49 115.64 118.62 3n8k s THR 27 Ca 0.33 1.89 -0.11 0.00 0.31 0.00 0.00 61.69 64.10 3n8k s THR 27 Cb 0.19 -4.21 0.03 0.00 0.01 0.00 0.00 72.50 68.52 3n8k s THR 27 CO 0.26 0.08 1.09 0.42 -0.69 0.00 0.00 174.62 175.77 3n8k s THR 28 N 1.54 3.46 0.27 -0.82 -4.23 -1.26 -2.71 115.64 111.88 3n8k s THR 28 Ca 0.52 0.47 -0.01 0.00 -1.18 0.00 0.00 61.69 61.49 3n8k s THR 28 Cb -0.22 -3.34 0.12 0.00 1.34 0.00 0.00 72.50 70.40 3n8k s THR 28 CO 0.24 -0.62 1.77 -0.74 -0.54 0.00 0.00 174.62 174.73 3n8k h HIS 29 N -0.82 0.81 -0.55 3.99 2.76 -1.83 -0.98 115.15 118.53 3n8k h HIS 29 Ca -0.46 -0.11 0.02 0.00 -2.20 0.00 0.00 60.37 57.62 3n8k h HIS 29 Cb 1.25 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.95 3n8k h HIS 29 CO 0.51 0.76 0.34 -0.44 -1.30 0.00 0.00 177.93 177.80 3n8k h ASP 30 N 0.72 0.56 0.19 3.26 3.32 -1.93 -0.10 116.42 122.43 3n8k h ASP 30 Ca 0.14 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 3n8k h ASP 30 Cb 0.45 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3n8k h ASP 30 CO 0.02 0.39 -0.31 -0.33 -1.72 0.00 0.00 179.24 177.29 3n8k h GLU 31 N 0.68 0.19 -0.21 3.56 5.08 -1.88 -2.56 114.58 119.44 3n8k h GLU 31 Ca 0.22 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3n8k h GLU 31 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3n8k h GLU 31 CO -0.09 0.49 0.00 1.25 -1.00 0.00 0.00 179.01 179.67 3n8k h LEU 32 N 0.17 0.36 -0.52 1.33 5.85 -0.51 -1.53 115.31 120.46 3n8k h LEU 32 Ca 0.02 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.50 3n8k h LEU 32 Cb 0.64 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 3n8k h LEU 32 CO 0.05 0.58 0.21 0.58 -0.34 0.00 0.00 178.44 179.52 3n8k h VAL 33 N 0.14 0.87 -0.64 1.05 2.07 -0.92 -1.19 116.25 117.62 3n8k h VAL 33 Ca 0.06 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 3n8k h VAL 33 Cb 0.39 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3n8k h VAL 33 CO 0.01 0.08 0.18 0.00 0.02 0.00 0.00 177.57 177.86 3n8k h ALA 34 N 1.32 0.84 -0.55 1.67 0.00 -1.38 -1.74 119.26 119.42 3n8k h ALA 34 Ca 0.24 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3n8k h ALA 34 Cb 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3n8k h ALA 34 CO -0.22 0.52 -0.09 -0.07 0.00 0.00 0.00 179.25 179.40 3n8k h LEU 35 N 0.93 1.01 -0.08 0.00 3.38 -0.96 -1.51 115.31 118.08 3n8k h LEU 35 Ca 0.20 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3n8k h LEU 35 Cb 0.32 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3n8k h LEU 35 CO -0.00 1.11 0.00 0.40 0.09 0.00 0.00 178.44 180.04 3n8k h ILE 36 N 0.91 1.25 -0.77 1.22 2.04 -1.13 -1.82 117.51 119.20 3n8k h ILE 36 Ca 0.15 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 3n8k h ILE 36 Cb 0.65 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 3n8k h ILE 36 CO 0.04 0.22 0.45 -0.33 0.00 0.00 0.00 178.15 178.53 3n8k h GLU 37 N -0.13 1.06 -0.51 2.37 5.08 -1.28 0.11 114.58 121.28 3n8k h GLU 37 Ca 0.02 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3n8k h GLU 37 Cb 0.34 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3n8k h GLU 37 CO 0.00 0.76 0.07 -0.09 -1.00 0.00 0.00 179.01 178.75 3n8k h ARG 38 N 1.07 0.86 -0.41 2.33 2.43 -1.25 -2.25 114.38 117.17 3n8k h ARG 38 Ca 0.28 -0.24 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 3n8k h ARG 38 Cb -0.01 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3n8k h ARG 38 CO -0.05 0.85 -0.22 1.49 -1.51 0.00 0.00 179.97 180.54 3n8k h GLU 39 N 0.73 0.87 -0.73 0.20 4.57 -0.78 -2.84 114.58 116.61 3n8k h GLU 39 Ca 0.15 -0.39 -0.04 0.00 -1.18 0.00 0.00 59.36 57.90 3n8k h GLU 39 Cb 0.42 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 3n8k h GLU 39 CO 0.01 1.03 0.28 0.00 -1.18 0.00 0.00 179.01 179.16 3n8k h ALA 40 N 0.81 0.95 -0.26 2.92 0.00 -0.77 -2.15 119.26 120.76 3n8k h ALA 40 Ca 0.09 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3n8k h ALA 40 Cb 0.78 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3n8k h ALA 40 CO 0.06 0.58 -0.11 0.00 0.00 0.00 0.00 179.25 179.79 3n8k h ALA 41 N 1.14 1.33 0.00 0.00 0.00 -1.39 0.40 119.26 120.74 3n8k h ALA 41 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n8k h ALA 41 Cb 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3n8k h ALA 41 CO -0.02 0.45 0.00 0.93 0.00 0.00 0.00 179.25 180.61 3n8k h GLU 42 N 0.41 0.00 -0.03 0.00 5.08 -1.23 -3.05 114.58 115.76 3n8k h GLU 42 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3n8k h GLU 42 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3n8k h GLU 42 CO 0.02 0.00 -0.02 1.28 -1.00 0.00 0.00 179.01 179.29 3n8k n LEU 43 N -2.45 2.70 -0.08 1.33 4.77 -0.84 -4.97 117.00 117.47 3n8k n LEU 43 Ca 0.04 -0.99 -0.01 0.00 -0.03 0.00 0.00 56.01 55.03 3n8k n LEU 43 Cb 0.41 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3n8k n LEU 43 CO 0.29 0.46 -0.01 0.61 -1.33 0.00 0.00 177.39 177.41 3n8k n GLY 44 N 1.19 0.46 3.80 -0.72 0.00 -0.59 -4.97 105.19 104.36 3n8k n GLY 44 Ca 0.12 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.23 3.30 -0.12 0.99 1.43 0.13 -4.89 118.68 119.30 3n8k s LEU 45 Ca 0.00 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.29 3n8k s LEU 45 Cb 0.00 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 3n8k s LEU 45 CO 0.00 -0.51 -0.18 -0.75 0.23 0.00 0.00 176.35 175.14 3n8k s LYS 46 N -3.98 3.21 -0.15 1.70 2.20 0.89 -3.54 119.74 120.07 3n8k s LYS 46 Ca 0.43 -0.78 -0.01 0.00 -0.36 0.00 0.00 55.97 55.24 3n8k s LYS 46 Cb -0.01 -2.49 -0.02 0.00 -1.51 0.00 0.00 37.83 33.80 3n8k s LYS 46 CO 0.25 0.17 -0.10 0.00 -0.36 0.00 0.00 175.35 175.31 3n8k s ALA 47 N 0.42 2.74 -0.32 3.13 0.00 -1.26 -0.08 121.76 126.38 3n8k s ALA 47 Ca -0.13 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 3n8k s ALA 47 Cb -0.17 -1.36 0.05 0.00 0.00 0.00 0.00 23.12 21.64 3n8k s ALA 47 CO 0.06 0.15 0.06 0.08 0.00 0.00 0.00 175.76 176.11 3n8k s VAL 48 N 0.51 3.40 -0.25 0.00 1.01 -0.45 -4.87 120.40 119.74 3n8k s VAL 48 Ca -0.07 -1.28 -0.10 0.00 0.00 0.00 0.00 61.98 60.53 3n8k s VAL 48 Cb -0.15 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 3n8k s VAL 48 CO 0.04 -0.17 0.15 -0.69 0.00 0.00 0.00 175.10 174.43 3n8k s VAL 49 N 1.33 5.11 0.06 2.92 1.01 -1.26 -1.07 120.40 128.49 3n8k s VAL 49 Ca -0.03 0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.12 3n8k s VAL 49 Cb -0.20 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3n8k s VAL 49 CO 0.01 0.32 -0.19 -0.13 0.00 0.00 0.00 175.10 175.10 3n8k s ARG 50 N 1.38 1.21 -0.02 2.72 3.00 -0.09 -5.00 118.95 122.15 3n8k s ARG 50 Ca 0.07 -0.97 0.01 0.00 0.00 0.00 0.00 55.73 54.83 3n8k s ARG 50 Cb -0.15 -1.35 0.01 0.00 0.00 0.00 0.00 34.95 33.47 3n8k s ARG 50 CO 0.07 0.33 -0.03 -1.14 0.00 0.00 0.00 175.30 174.53 3n8k s GLN 51 N -1.40 0.40 -0.06 3.54 -0.44 -1.26 -0.72 119.66 119.72 3n8k s GLN 51 Ca 0.06 -0.06 -0.17 0.00 -2.50 0.00 0.00 55.36 52.68 3n8k s GLN 51 Cb -0.09 -0.46 0.03 0.00 -1.64 0.00 0.00 33.01 30.86 3n8k s GLN 51 CO 0.02 -0.01 0.39 0.45 0.50 0.00 0.00 175.29 176.64 3n8k s SER 52 N 0.44 -0.33 0.08 6.67 0.15 -0.85 -5.00 113.70 114.85 3n8k s SER 52 Ca -0.05 0.40 0.25 0.00 0.70 0.00 0.00 55.95 57.26 3n8k s SER 52 Cb -0.08 0.51 0.47 0.00 -1.71 0.00 0.00 66.02 65.21 3n8k s SER 52 CO -0.01 -0.38 1.40 0.47 1.20 0.00 0.00 173.24 175.93 3n8k n ASP 53 N 1.71 0.59 -4.69 5.45 8.00 -1.26 -2.77 116.55 123.59 3n8k n ASP 53 Ca -0.19 0.05 -0.41 0.00 0.71 0.00 0.00 54.79 54.96 3n8k n ASP 53 Cb 0.56 0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.73 3n8k n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3n8k s SER 54 N -3.78 6.97 0.12 -2.24 0.15 -1.26 -4.64 113.70 109.02 3n8k s SER 54 Ca 0.08 1.19 -0.17 0.00 0.70 0.00 0.00 55.95 57.75 3n8k s SER 54 Cb 0.15 -2.44 -0.03 0.00 -1.71 0.00 0.00 66.02 61.99 3n8k s SER 54 CO 0.70 -0.30 1.69 -0.08 1.20 0.00 0.00 173.24 176.45 3n8k h GLU 55 N 7.14 0.48 -0.34 5.44 4.81 -2.00 -2.38 114.58 127.72 3n8k h GLU 55 Ca -0.34 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 58.84 3n8k h GLU 55 Cb 1.16 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 3n8k h GLU 55 CO 0.80 0.45 0.23 0.00 -0.73 0.00 0.00 179.01 179.76 3n8k h ALA 56 N 1.00 1.87 -0.25 2.92 0.00 -1.99 -0.51 119.26 122.30 3n8k h ALA 56 Ca 0.11 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 3n8k h ALA 56 Cb 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3n8k h ALA 56 CO -0.01 0.09 -0.59 0.37 0.00 0.00 0.00 179.25 179.11 3n8k h GLN 57 N 0.36 0.84 -0.48 0.00 5.75 -1.93 -2.44 115.11 117.21 3n8k h GLN 57 Ca 0.14 -0.57 -0.06 0.00 -0.15 0.00 0.00 58.65 58.01 3n8k h GLN 57 Cb 0.10 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 3n8k h GLN 57 CO -0.03 1.19 0.07 -0.07 -2.65 0.00 0.00 178.83 177.34 3n8k h LEU 58 N 0.60 0.77 -0.71 -2.39 3.38 -0.83 -2.18 115.31 113.95 3n8k h LEU 58 Ca -0.00 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.74 3n8k h LEU 58 Cb 1.20 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 3n8k h LEU 58 CO 0.13 0.84 0.44 -0.07 0.09 0.00 0.00 178.44 179.87 3n8k h LEU 59 N 0.67 0.71 -0.36 1.67 3.38 -1.15 -2.29 115.31 117.94 3n8k h LEU 59 Ca 0.14 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3n8k h LEU 59 Cb 0.41 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3n8k h LEU 59 CO 0.01 0.48 0.22 -0.78 0.09 0.00 0.00 178.44 178.46 3n8k h ASP 60 N 0.85 0.44 -0.69 -0.43 3.58 -1.23 -0.85 116.42 118.09 3n8k h ASP 60 Ca 0.29 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.64 3n8k h ASP 60 Cb 0.06 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 3n8k h ASP 60 CO -0.13 0.37 0.27 -0.50 -2.88 0.00 0.00 179.24 176.37 3n8k h TRP 61 N 0.47 1.06 0.00 0.28 6.55 -1.15 -2.25 115.95 120.91 3n8k h TRP 61 Ca 0.13 -0.08 -0.10 0.00 0.95 0.00 0.00 58.89 59.78 3n8k h TRP 61 Cb 0.01 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 27.98 3n8k h TRP 61 CO -0.04 0.83 -0.49 -0.84 -1.05 0.00 0.00 178.44 176.86 3n8k h ILE 62 N 0.99 0.88 -0.76 1.49 -0.00 -1.33 -2.41 117.51 116.36 3n8k h ILE 62 Ca 0.23 -2.10 0.03 0.00 -0.00 0.00 0.00 64.86 63.02 3n8k h ILE 62 Cb 0.22 2.33 -0.04 0.00 -0.00 0.00 0.00 36.82 39.33 3n8k h ILE 62 CO -0.02 0.48 0.49 0.45 -0.00 0.00 0.00 178.15 179.55 3n8k h HIS 63 N 0.00 0.92 -0.41 0.16 3.86 -0.90 -0.66 115.15 118.12 3n8k h HIS 63 Ca -0.00 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 3n8k h HIS 63 Cb 1.29 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 29.44 3n8k h HIS 63 CO 0.00 0.54 -0.13 1.96 0.86 0.00 0.00 177.93 181.16 3n8k h GLN 64 N 0.97 0.75 -0.13 2.45 4.20 -1.22 -1.65 115.11 120.47 3n8k h GLN 64 Ca 0.30 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 3n8k h GLN 64 Cb -0.02 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3n8k h GLN 64 CO -0.10 0.85 -0.39 0.00 -0.67 0.00 0.00 178.83 178.52 3n8k h ALA 65 N 1.17 1.09 -0.41 3.87 0.00 -1.11 -1.08 119.26 122.79 3n8k h ALA 65 Ca 0.11 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 3n8k h ALA 65 Cb 0.61 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3n8k h ALA 65 CO 0.04 0.58 -0.21 0.00 0.00 0.00 0.00 179.25 179.67 3n8k h ALA 66 N 1.35 0.58 -0.30 0.00 0.00 -0.82 0.00 119.26 120.07 3n8k h ALA 66 Ca 0.03 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 3n8k h ALA 66 Cb 0.80 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3n8k h ALA 66 CO 0.06 0.55 -0.22 -0.44 0.00 0.00 0.00 179.25 179.20 3n8k h ASP 67 N 0.68 0.58 0.28 0.00 3.32 -1.13 -3.07 116.42 117.08 3n8k h ASP 67 Ca 0.09 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3n8k h ASP 67 Cb 0.77 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3n8k h ASP 67 CO 0.06 0.80 -0.35 0.00 -1.72 0.00 0.00 179.24 178.03 3n8k n ALA 68 N -2.49 3.26 -3.78 3.45 0.00 -0.43 -4.97 120.51 115.56 3n8k n ALA 68 Ca -0.00 -0.41 -0.25 0.00 0.00 0.00 0.00 53.44 52.78 3n8k n ALA 68 Cb 0.40 -1.10 0.04 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.84 -1.62 -2.79 0.00 0.00 -0.11 -5.00 120.51 110.15 3n8k n ALA 69 Ca 0.10 0.06 -0.35 0.00 0.00 0.00 0.00 53.44 53.25 3n8k n ALA 69 Cb 0.35 -3.46 -0.07 0.00 0.00 0.00 0.00 19.45 16.27 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 -6.28 3.20 0.60 0.00 2.02 -0.62 -4.64 118.70 112.99 3n8k s GLU 70 Ca 0.36 -0.31 -0.20 0.00 0.02 0.00 0.00 54.97 54.85 3n8k s GLU 70 Cb -0.18 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 3n8k s GLU 70 CO 0.81 0.72 1.30 -0.35 0.02 0.00 0.00 175.26 177.77 3n8k n PRO 71 N 1.87 1.34 -4.64 0.39 -0.04 -1.26 -4.71 135.00 127.95 3n8k n PRO 71 Ca -0.18 0.51 -0.27 0.00 -0.04 0.00 0.00 63.50 63.52 3n8k n PRO 71 Cb 0.54 -2.53 -0.17 0.00 -0.04 0.00 0.00 33.50 31.30 3n8k n PRO 71 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3n8k s VAL 72 N -1.35 1.36 -0.34 0.52 1.01 -0.69 -1.27 120.40 119.64 3n8k s VAL 72 Ca 0.78 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 3n8k s VAL 72 Cb -0.40 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 34.76 3n8k s VAL 72 CO 0.44 0.41 0.17 -0.63 0.00 0.00 0.00 175.10 175.49 3n8k s ILE 73 N 0.71 4.50 -0.19 2.22 1.01 0.11 -0.54 121.20 129.03 3n8k s ILE 73 Ca -0.13 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.84 3n8k s ILE 73 Cb -0.16 -3.42 0.03 0.00 0.01 0.00 0.00 42.46 38.92 3n8k s ILE 73 CO 0.03 -0.09 -0.18 -0.22 0.00 0.00 0.00 174.94 174.48 3n8k s LEU 74 N 1.57 2.29 -0.54 2.97 2.96 -0.04 -0.26 118.68 127.62 3n8k s LEU 74 Ca 0.03 -0.76 -0.04 0.00 -0.22 0.00 0.00 54.13 53.14 3n8k s LEU 74 Cb -0.18 -1.45 0.14 0.00 0.50 0.00 0.00 46.19 45.20 3n8k s LEU 74 CO 0.06 -0.04 0.36 0.21 -1.32 0.00 0.00 176.35 175.62 3n8k s ASN 75 N 1.29 5.37 0.00 3.68 3.84 -0.46 -1.83 114.94 126.83 3n8k s ASN 75 Ca 0.03 -2.45 0.29 0.00 0.21 0.00 0.00 52.86 50.94 3n8k s ASN 75 Cb -0.14 -1.88 1.58 0.00 -0.55 0.00 0.00 41.25 40.26 3n8k s ASN 75 CO -0.11 -0.48 2.02 0.00 -2.79 0.00 0.00 177.10 175.74 3n8k n ALA 76 N 4.07 2.49 -0.79 1.71 0.00 -1.26 0.52 120.51 127.25 3n8k n ALA 76 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3n8k n ALA 76 Cb 0.40 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 0.94 2.90 0.19 0.00 0.00 -1.26 -2.64 105.19 105.33 3n8k n GLY 77 Ca 0.18 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 46.01 3n8k n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3n8k h GLY 78 N 0.00 0.00 2.00 -0.02 0.00 -1.94 -2.92 103.07 100.18 3n8k h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n8k h GLY 78 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 3n8k h LEU 79 N 0.00 0.00 -1.00 3.11 3.38 -1.88 -2.73 115.31 116.19 3n8k h LEU 79 Ca -0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 3n8k h LEU 79 Cb 0.72 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.37 3n8k h LEU 79 CO 0.05 0.00 0.61 0.74 0.09 0.00 0.00 178.44 179.93 3n8k h THR 80 N 0.00 0.79 -0.01 0.22 2.02 -1.63 -0.44 112.91 113.87 3n8k h THR 80 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3n8k h THR 80 Cb 0.32 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3n8k h THR 80 CO 0.00 0.16 -0.44 1.41 0.37 0.00 0.00 175.52 177.02 3n8k n HIS 81 N -4.71 0.00 0.00 3.16 8.25 -1.03 -1.43 115.22 119.45 3n8k n HIS 81 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 3n8k n HIS 81 Cb 0.48 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.46 3n8k n HIS 81 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3n8k n THR 82 N -0.89 0.00 -3.02 1.59 -2.24 -1.04 -4.76 114.28 103.92 3n8k n THR 82 Ca 0.09 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 3n8k n THR 82 Cb 0.36 -0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 68.06 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 -2.33 6.37 0.15 3.42 0.15 -0.20 -4.88 113.70 116.38 3n8k s SER 83 Ca 0.00 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.46 3n8k s SER 83 Cb 0.00 -2.36 -0.05 0.00 -1.71 0.00 0.00 66.02 61.90 3n8k s SER 83 CO 0.00 -0.87 1.35 0.58 1.20 0.00 0.00 173.24 175.50 3n8k h VAL 84 N 5.94 1.54 -0.65 4.45 2.07 -1.96 -3.16 116.25 124.48 3n8k h VAL 84 Ca -0.25 -2.80 0.02 0.00 0.82 0.00 0.00 66.70 64.49 3n8k h VAL 84 Cb 1.09 2.58 -0.04 0.00 -1.52 0.00 0.00 31.29 33.40 3n8k h VAL 84 CO 0.94 0.81 0.41 0.00 0.02 0.00 0.00 177.57 179.75 3n8k h ALA 85 N 0.97 0.85 -0.50 1.67 0.00 -1.98 0.69 119.26 120.95 3n8k h ALA 85 Ca -0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3n8k h ALA 85 Cb 1.58 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 3n8k h ALA 85 CO 0.14 0.18 -0.10 1.25 0.00 0.00 0.00 179.25 180.72 3n8k h LEU 86 N 0.81 0.95 -0.38 0.00 5.85 -1.95 -2.10 115.31 118.49 3n8k h LEU 86 Ca 0.26 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3n8k h LEU 86 Cb -0.00 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3n8k h LEU 86 CO -0.10 1.08 0.17 -0.09 -0.34 0.00 0.00 178.44 179.16 3n8k h ARG 87 N 0.81 0.34 -0.92 1.25 2.43 -1.42 -1.12 114.38 115.74 3n8k h ARG 87 Ca 0.13 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3n8k h ARG 87 Cb 0.65 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 3n8k h ARG 87 CO 0.04 0.23 0.61 -0.44 -1.51 0.00 0.00 179.97 178.90 3n8k h ASP 88 N 0.35 1.06 -0.34 -3.80 3.32 -0.71 -1.53 116.42 114.78 3n8k h ASP 88 Ca 0.16 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 3n8k h ASP 88 Cb 0.10 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3n8k h ASP 88 CO -0.13 0.77 0.13 0.00 -1.72 0.00 0.00 179.24 178.29 3n8k h ALA 89 N 1.34 0.44 0.00 3.45 0.00 -1.13 -2.92 119.26 120.44 3n8k h ALA 89 Ca 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3n8k h ALA 89 Cb -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3n8k h ALA 89 CO -0.07 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.22 3n8k h ALA 91 N 2.06 1.00 0.00 0.00 0.00 -1.09 -2.89 119.26 118.35 3n8k h ALA 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n8k h ALA 91 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3n8k h ALA 91 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 179.25 180.18 3n8k h GLU 92 N 0.00 0.00 -6.41 0.00 5.08 -1.50 -3.46 114.58 108.30 3n8k h GLU 92 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 3n8k h GLU 92 Cb 0.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.73 3n8k h GLU 92 CO 0.00 0.00 1.00 -0.51 -1.00 0.00 0.00 179.01 178.50 3n8k s LEU 93 N -6.04 4.35 -0.09 1.33 1.43 -1.09 -4.87 118.68 113.70 3n8k s LEU 93 Ca 0.07 2.40 0.09 0.00 -1.03 0.00 0.00 54.13 55.66 3n8k s LEU 93 Cb 0.06 -3.56 -0.24 0.00 0.03 0.00 0.00 46.19 42.49 3n8k s LEU 93 CO 0.65 -0.88 0.47 -1.54 0.23 0.00 0.00 176.35 175.29 3n8k n SER 94 N 5.89 1.07 -4.86 2.29 3.41 -1.26 -4.92 113.62 115.23 3n8k n SER 94 Ca 0.16 0.29 -0.31 0.00 -0.26 0.00 0.00 58.87 58.74 3n8k n SER 94 Cb 0.41 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 3n8k n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n8k s ALA 95 N -2.57 3.09 0.38 7.33 0.00 -1.26 -5.00 121.76 123.73 3n8k s ALA 95 Ca -0.11 -0.00 -0.26 0.00 0.00 0.00 0.00 51.96 51.59 3n8k s ALA 95 Cb 0.07 -3.08 -0.11 0.00 0.00 0.00 0.00 23.12 20.00 3n8k s ALA 95 CO 0.80 -0.52 1.17 -2.30 0.00 0.00 0.00 175.76 174.91 3n8k n PRO 96 N -2.33 1.74 -4.04 0.00 -0.02 -1.26 -4.76 135.00 124.33 3n8k n PRO 96 Ca 0.06 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.82 3n8k n PRO 96 Cb 0.54 -2.20 -0.15 0.00 -0.02 0.00 0.00 33.50 31.67 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 -0.88 2.52 -0.22 2.45 2.96 -1.26 -1.71 118.68 122.55 3n8k s LEU 97 Ca 0.60 -0.65 -0.05 0.00 -0.22 0.00 0.00 54.13 53.81 3n8k s LEU 97 Cb -0.57 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 3n8k s LEU 97 CO 0.59 -0.03 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.96 3n8k s ILE 98 N 1.33 3.84 -0.04 6.68 -1.09 0.30 -0.02 121.20 132.20 3n8k s ILE 98 Ca 0.04 -0.34 -0.21 0.00 -2.23 0.00 0.00 60.65 57.90 3n8k s ILE 98 Cb -0.14 -2.75 -0.05 0.00 -1.58 0.00 0.00 42.46 37.94 3n8k s ILE 98 CO -0.09 0.41 0.62 -0.70 -1.23 0.00 0.00 174.94 173.94 3n8k s GLU 99 N 1.27 4.37 -0.03 2.79 2.12 -0.08 -0.87 118.70 128.27 3n8k s GLU 99 Ca 0.04 0.75 0.02 0.00 0.36 0.00 0.00 54.97 56.14 3n8k s GLU 99 Cb -0.15 -3.39 0.01 0.00 0.26 0.00 0.00 34.13 30.86 3n8k s GLU 99 CO 0.01 0.24 -0.10 0.08 -0.54 0.00 0.00 175.26 174.95 3n8k s VAL 100 N 0.24 0.85 -0.02 3.70 1.01 -0.76 -0.55 120.40 124.88 3n8k s VAL 100 Ca 0.33 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3n8k s VAL 100 Cb -0.18 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 3n8k s VAL 100 CO 0.17 0.27 -0.11 -1.00 0.00 0.00 0.00 175.10 174.42 3n8k s HIS 101 N 0.33 1.08 -0.02 5.22 3.76 0.28 -4.07 115.29 121.86 3n8k s HIS 101 Ca -0.06 -0.23 -0.26 0.00 -0.15 0.00 0.00 55.06 54.37 3n8k s HIS 101 Cb -0.10 -0.71 -0.20 0.00 1.11 0.00 0.00 32.58 32.67 3n8k s HIS 101 CO 0.01 -0.05 1.22 0.82 -0.85 0.00 0.00 174.74 175.89 3n8k h ILE 102 N 5.01 1.30 -3.67 0.60 2.04 -1.86 -2.40 117.51 118.53 3n8k h ILE 102 Ca -0.33 -1.13 -0.49 0.00 1.00 0.00 0.00 64.86 63.91 3n8k h ILE 102 Cb 1.17 2.04 0.02 0.00 -0.74 0.00 0.00 36.82 39.31 3n8k h ILE 102 CO 0.49 0.28 0.13 -0.94 0.00 0.00 0.00 178.15 178.11 3n8k s SER 103 N -5.64 6.39 -0.76 1.72 1.04 -1.26 -1.95 113.70 113.24 3n8k s SER 103 Ca -0.16 1.06 -0.26 0.00 0.48 0.00 0.00 55.95 57.07 3n8k s SER 103 Cb 0.01 -2.30 -0.00 0.00 0.10 0.00 0.00 66.02 63.84 3n8k s SER 103 CO 0.65 -0.50 1.64 0.21 0.98 0.00 0.00 173.24 176.22 3n8k s ASN 104 N -3.63 5.69 0.50 7.02 3.84 -1.26 -2.39 114.94 124.71 3n8k s ASN 104 Ca 0.50 -0.33 0.34 0.00 0.21 0.00 0.00 52.86 53.57 3n8k s ASN 104 Cb -0.10 -2.55 1.63 0.00 -0.55 0.00 0.00 41.25 39.68 3n8k s ASN 104 CO 0.38 -2.16 2.01 1.62 -2.79 0.00 0.00 177.10 176.17 3n8k h VAL 105 N 6.68 0.00 -0.00 -5.21 3.04 -1.93 -0.90 116.25 117.94 3n8k h VAL 105 Ca -0.14 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 3n8k h VAL 105 Cb 1.08 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 3n8k h VAL 105 CO 1.27 0.00 -0.39 1.41 -1.01 0.00 0.00 177.57 178.84 3n8k n HIS 106 N -2.80 0.00 -0.71 3.17 8.25 -1.26 -3.79 115.22 118.08 3n8k n HIS 106 Ca -0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.54 3n8k n HIS 106 Cb 0.17 -0.27 0.37 0.00 1.12 0.00 0.00 29.99 31.38 3n8k n HIS 106 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3n8k n ALA 107 N -1.38 3.30 -3.00 -1.41 0.00 -0.34 -4.94 120.51 112.73 3n8k n ALA 107 Ca 0.07 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.80 3n8k n ALA 107 Cb 0.33 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3n8k n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3n8k n ARG 108 N 0.96 2.54 -2.09 0.00 1.74 -1.25 -5.07 116.66 113.50 3n8k n ARG 108 Ca 0.26 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.97 3n8k n ARG 108 Cb 0.98 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.43 3n8k n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3n8k s GLU 109 N 4.03 3.39 0.32 5.56 8.01 -1.26 -4.93 118.70 133.82 3n8k s GLU 109 Ca 0.00 1.89 0.04 0.00 0.01 0.00 0.00 54.97 56.91 3n8k s GLU 109 Cb 0.00 -2.22 0.65 0.00 -4.31 0.00 0.00 34.13 28.24 3n8k s GLU 109 CO 0.00 -0.89 1.87 1.49 0.01 0.00 0.00 175.26 177.75 3n8k h GLU 110 N 1.56 0.86 0.00 1.61 4.22 -1.96 -1.97 114.58 118.90 3n8k h GLU 110 Ca -0.50 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.89 3n8k h GLU 110 Cb 1.27 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3n8k h GLU 110 CO 0.58 0.57 0.00 1.97 -2.18 0.00 0.00 179.01 179.95 3n8k n PHE 111 N -4.56 0.00 1.34 0.92 1.16 -1.26 -2.07 117.46 112.99 3n8k n PHE 111 Ca 0.17 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.88 3n8k n PHE 111 Cb 0.35 -0.44 0.41 0.00 -1.61 0.00 0.00 39.48 38.19 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 -1.44 1.39 -0.24 3.97 1.74 -0.74 -4.25 116.66 117.08 3n8k n ARG 112 Ca 0.03 -0.86 0.11 0.00 -0.77 0.00 0.00 57.85 56.36 3n8k n ARG 112 Cb 0.11 -1.48 0.26 0.00 -1.02 0.00 0.00 32.46 30.33 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 -0.05 2.41 -2.67 5.56 1.74 -0.88 -4.55 116.66 118.22 3n8k n ARG 113 Ca 0.16 -2.16 -0.21 0.00 -0.77 0.00 0.00 57.85 54.87 3n8k n ARG 113 Cb 0.38 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 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 1.32 2.52 -1.61 -1.55 8.25 -1.26 -5.07 115.22 117.82 3n8k n HIS 114 Ca 0.20 -3.22 -0.50 0.00 -0.26 0.00 0.00 57.72 53.95 3n8k n HIS 114 Cb 0.55 -0.26 -0.05 0.00 1.12 0.00 0.00 29.99 31.35 3n8k n HIS 114 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3n8k n SER 115 N -0.25 1.95 0.24 0.41 2.88 -1.26 -4.86 113.62 112.74 3n8k n SER 115 Ca 0.27 1.12 0.13 0.00 -1.33 0.00 0.00 58.87 59.07 3n8k n SER 115 Cb 0.67 -1.26 0.49 0.00 -0.75 0.00 0.00 64.21 63.36 3n8k n SER 115 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3n8k h TYR 116 N 4.55 0.00 0.00 0.66 0.05 -1.54 -3.32 116.97 117.37 3n8k h TYR 116 Ca -0.46 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.03 3n8k h TYR 116 Cb 1.32 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 39.01 3n8k h TYR 116 CO 0.59 0.09 -1.72 1.28 -1.05 0.00 0.00 178.16 177.35 3n8k n LEU 117 N -3.18 0.90 -0.29 3.88 4.77 -1.26 -4.43 117.00 117.39 3n8k n LEU 117 Ca 0.01 0.41 0.03 0.00 -0.03 0.00 0.00 56.01 56.44 3n8k n LEU 117 Cb 0.41 0.15 0.17 0.00 -2.33 0.00 0.00 43.42 41.82 3n8k n LEU 117 CO 0.31 0.40 1.14 0.28 -1.33 0.00 0.00 177.39 178.19 3n8k h SER 118 N 0.00 0.67 0.50 -1.43 0.02 -1.93 -1.45 113.55 109.94 3n8k h SER 118 Ca -0.29 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 3n8k h SER 118 Cb 2.02 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 64.48 3n8k h SER 118 CO 0.08 0.38 -0.03 -0.65 -1.14 0.00 0.00 176.83 175.47 3n8k h PRO 119 N 0.79 0.00 -0.00 3.45 0.11 -1.78 -3.05 132.00 131.52 3n8k h PRO 119 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 3n8k h PRO 119 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3n8k h PRO 119 CO -0.25 0.03 -0.42 0.44 -0.21 0.00 0.00 178.00 177.58 3n8k n ILE 120 N -3.20 0.00 -2.07 4.15 -5.35 -0.90 -4.99 119.36 107.00 3n8k n ILE 120 Ca -0.01 -0.29 -0.32 0.00 -0.27 0.00 0.00 62.75 61.85 3n8k n ILE 120 Cb 0.20 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 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 -1.84 2.83 0.04 -1.28 0.00 -0.60 -4.90 121.76 116.00 3n8k s ALA 121 Ca 0.06 0.28 -0.23 0.00 0.00 0.00 0.00 51.96 52.08 3n8k s ALA 121 Cb 0.08 -3.19 -0.15 0.00 0.00 0.00 0.00 23.12 19.86 3n8k s ALA 121 CO 0.39 -0.71 1.46 1.15 0.00 0.00 0.00 175.76 178.04 3n8k h THR 122 N 0.38 1.26 -3.48 0.00 2.02 -0.76 -3.48 112.91 108.85 3n8k h THR 122 Ca -0.46 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 65.87 3n8k h THR 122 Cb 1.21 1.64 -0.09 0.00 -1.74 0.00 0.00 68.15 69.17 3n8k h THR 122 CO 0.58 0.23 -0.04 -0.83 0.37 0.00 0.00 175.52 175.83 3n8k s GLY 123 N -2.95 0.27 -0.04 2.16 0.00 -1.20 -5.05 107.32 100.51 3n8k s GLY 123 Ca -0.14 -0.62 0.02 0.00 0.00 0.00 0.00 44.72 43.98 3n8k s GLY 123 CO 0.70 -0.47 -0.10 0.14 0.00 0.00 0.00 173.10 173.37 3n8k s VAL 124 N -3.96 0.86 -0.15 1.40 1.01 -1.26 -0.90 120.40 117.40 3n8k s VAL 124 Ca 0.17 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.79 3n8k s VAL 124 Cb -0.01 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.61 3n8k s VAL 124 CO 0.05 0.27 -0.19 -0.63 0.00 0.00 0.00 175.10 174.60 3n8k s ILE 125 N 0.34 1.93 0.05 2.22 1.01 0.29 -4.98 121.20 122.06 3n8k s ILE 125 Ca -0.06 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.75 3n8k s ILE 125 Cb -0.11 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 3n8k s ILE 125 CO 0.01 0.52 -0.13 0.68 0.00 0.00 0.00 174.94 176.03 3n8k s VAL 126 N 1.08 0.98 0.00 2.92 -7.23 -1.26 -0.56 120.40 116.33 3n8k s VAL 126 Ca -0.01 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 3n8k s VAL 126 Cb -0.14 -0.92 0.00 0.00 0.56 0.00 0.00 36.38 35.88 3n8k s VAL 126 CO -0.07 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 3n8k n GLY 127 N 1.72 0.33 1.67 2.32 0.00 -0.90 -4.81 105.19 105.52 3n8k n GLY 127 Ca -0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 4.98 0.00 0.99 4.77 -1.23 -4.64 117.00 121.87 3n8k n LEU 128 Ca 0.00 -2.53 0.00 0.00 -0.03 0.00 0.00 56.01 53.45 3n8k n LEU 128 Cb 0.18 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 3n8k n LEU 128 CO 0.00 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3n8k n GLY 129 N 0.52 1.38 0.22 -0.72 0.00 -0.83 -3.15 105.19 102.61 3n8k n GLY 129 Ca 0.23 -0.61 0.07 0.00 0.00 0.00 0.00 46.02 45.72 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 0.86 0.00 -0.61 6.09 -1.89 -2.89 117.51 119.07 3n8k h ILE 130 Ca 0.00 -1.08 0.00 0.00 -1.37 0.00 0.00 64.86 62.41 3n8k h ILE 130 Cb 0.00 1.65 0.00 0.00 0.47 0.00 0.00 36.82 38.94 3n8k h ILE 130 CO 0.00 0.27 0.00 -0.61 -3.07 0.00 0.00 178.15 174.74 3n8k h GLN 131 N 0.00 0.00 -0.98 2.19 4.15 -1.97 -2.91 115.11 115.59 3n8k h GLN 131 Ca -0.00 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.55 3n8k h GLN 131 Cb 0.62 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.23 3n8k h GLN 131 CO 0.04 0.00 0.61 0.78 -1.93 0.00 0.00 178.83 178.32 3n8k h GLY 132 N 1.45 1.63 1.01 2.39 0.00 -1.54 -0.34 103.07 107.68 3n8k h GLY 132 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3n8k h GLY 132 CO 0.00 0.12 0.47 -0.97 0.00 0.00 0.00 176.54 176.16 3n8k h TYR 133 N 0.94 1.05 -0.12 5.60 -1.99 -1.75 -2.00 116.97 118.70 3n8k h TYR 133 Ca 0.50 -0.01 -0.17 0.00 2.00 0.00 0.00 58.73 61.05 3n8k h TYR 133 Cb 0.54 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 3n8k h TYR 133 CO -0.01 0.71 -0.64 -0.07 -0.00 0.00 0.00 178.16 178.15 3n8k h LEU 134 N 1.08 0.50 -0.59 3.88 3.38 -1.34 -2.10 115.31 120.13 3n8k h LEU 134 Ca 0.28 -0.29 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3n8k h LEU 134 Cb -0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3n8k h LEU 134 CO -0.05 1.01 -0.57 -0.07 0.09 0.00 0.00 178.44 178.84 3n8k h LEU 135 N 0.32 0.46 -0.72 1.67 3.38 -1.05 -2.08 115.31 117.28 3n8k h LEU 135 Ca -0.01 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 3n8k h LEU 135 Cb 1.19 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 3n8k h LEU 135 CO 0.11 0.93 0.20 0.00 0.09 0.00 0.00 178.44 179.77 3n8k h ALA 136 N 1.07 0.95 -0.71 1.53 0.00 -1.25 -1.89 119.26 118.96 3n8k h ALA 136 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3n8k h ALA 136 Cb 1.09 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3n8k h ALA 136 CO 0.10 0.66 0.45 -0.07 0.00 0.00 0.00 179.25 180.39 3n8k h LEU 137 N 1.09 0.83 -0.79 0.00 3.38 -1.21 -2.68 115.31 115.92 3n8k h LEU 137 Ca 0.23 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3n8k h LEU 137 Cb 0.35 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3n8k h LEU 137 CO -0.00 0.63 -0.08 -0.09 0.09 0.00 0.00 178.44 178.98 3n8k h ARG 138 N 0.96 0.83 -0.26 1.13 2.43 -1.12 -1.58 114.38 116.77 3n8k h ARG 138 Ca 0.26 -0.27 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3n8k h ARG 138 Cb -0.07 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3n8k h ARG 138 CO -0.05 0.88 0.12 -0.92 -1.51 0.00 0.00 179.97 178.49 3n8k h TYR 139 N 0.75 0.23 0.00 2.20 3.20 -1.21 -1.07 116.97 121.07 3n8k h TYR 139 Ca 0.13 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 3n8k h TYR 139 Cb 0.57 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3n8k h TYR 139 CO 0.03 0.12 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.32 3n8k h LEU 140 N 0.26 0.00 0.06 2.82 3.38 -1.17 -0.09 115.31 120.57 3n8k h LEU 140 Ca 0.11 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.79 3n8k h LEU 140 Cb 0.04 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.81 3n8k h LEU 140 CO -0.08 0.28 -1.18 0.00 0.09 0.00 0.00 178.44 177.56 3n8k h ALA 141 N 1.72 0.08 0.00 1.53 0.00 -1.04 -3.34 119.26 118.21 3n8k h ALA 141 Ca -0.00 -0.76 -0.16 0.00 0.00 0.00 0.00 54.91 53.98 3n8k h ALA 141 Cb 0.52 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3n8k h ALA 141 CO 0.04 0.74 -0.96 0.93 0.00 0.00 0.00 179.25 179.99 3n8k h GLU 142 N 0.27 0.00 -0.01 0.00 3.07 -0.99 -3.51 114.58 113.40 3n8k h GLU 142 Ca -0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 3n8k h GLU 142 Cb 1.84 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.75 3n8k h GLU 142 CO 0.22 0.56 0.00 1.58 -1.40 0.00 0.00 179.01 179.97