#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 5.22 -0.16 1.96 1.01 -1.26 -0.93 121.20 127.04 3n8k s ILE 4 Ca 0.00 0.73 -0.00 0.00 0.00 0.00 0.00 60.65 61.38 3n8k s ILE 4 Cb 0.00 -3.73 -0.00 0.00 0.01 0.00 0.00 42.46 38.74 3n8k s ILE 4 CO 0.00 0.30 -0.15 -0.69 0.00 0.00 0.00 174.94 174.41 3n8k s VAL 5 N 0.93 2.72 -0.27 2.92 1.01 0.66 -4.12 120.40 124.24 3n8k s VAL 5 Ca 0.20 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 3n8k s VAL 5 Cb -0.14 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 3n8k s VAL 5 CO 0.07 0.51 0.62 0.20 0.00 0.00 0.00 175.10 176.50 3n8k s ASN 6 N 0.85 6.53 -0.32 3.32 0.01 -0.53 -1.18 114.94 123.62 3n8k s ASN 6 Ca -0.04 0.58 -0.10 0.00 -0.71 0.00 0.00 52.86 52.59 3n8k s ASN 6 Cb -0.15 -2.33 -0.00 0.00 0.41 0.00 0.00 41.25 39.18 3n8k s ASN 6 CO -0.01 -0.40 0.16 -0.69 -1.51 0.00 0.00 177.10 174.65 3n8k s VAL 7 N 2.52 4.61 -0.19 1.60 1.01 0.04 0.11 120.40 130.11 3n8k s VAL 7 Ca 0.25 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3n8k s VAL 7 Cb -0.15 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.87 3n8k s VAL 7 CO 0.10 0.04 -0.19 -0.63 0.00 0.00 0.00 175.10 174.42 3n8k s ILE 8 N 1.61 2.16 -0.12 2.22 1.01 0.80 -1.06 121.20 127.81 3n8k s ILE 8 Ca 0.04 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 3n8k s ILE 8 Cb -0.17 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 3n8k s ILE 8 CO 0.06 0.51 0.00 0.20 0.00 0.00 0.00 174.94 175.72 3n8k s ASN 9 N 1.30 5.18 0.10 3.58 0.01 -0.12 -0.94 114.94 124.05 3n8k s ASN 9 Ca 0.05 0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.25 3n8k s ASN 9 Cb -0.13 -1.64 0.00 0.00 0.41 0.00 0.00 41.25 39.89 3n8k s ASN 9 CO -0.12 0.29 0.00 0.61 -1.51 0.00 0.00 177.10 176.37 3n8k n GLY 10 N 2.76 0.80 3.55 0.66 0.00 0.30 -2.13 105.19 111.13 3n8k n GLY 10 Ca -0.18 -1.89 -0.45 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.26 1.06 -0.70 1.61 -0.02 -1.11 -2.63 135.00 132.95 3n8k n PRO 11 Ca 0.00 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3n8k n PRO 11 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 1.38 0.00 0.07 2.55 3.02 -1.26 -4.42 115.26 116.60 3n8k n ASN 12 Ca 0.11 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.79 3n8k n ASN 12 Cb 0.31 -1.28 0.31 0.00 -0.61 0.00 0.00 39.78 38.51 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 0.70 0.08 3.41 4.77 -1.08 -2.63 117.00 122.25 3n8k n LEU 13 Ca 0.00 0.39 0.11 0.00 -0.03 0.00 0.00 56.01 56.48 3n8k n LEU 13 Cb 0.00 -0.27 0.44 0.00 -2.33 0.00 0.00 43.42 41.26 3n8k n LEU 13 CO 0.00 -0.10 0.84 0.61 -1.33 0.00 0.00 177.39 177.41 3n8k n GLY 14 N 1.34 -1.30 0.48 -0.72 0.00 -1.26 -3.15 105.19 100.59 3n8k n GLY 14 Ca 0.05 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.98 1.66 -1.60 1.61 5.12 -1.08 -4.69 116.66 115.70 3n8k n ARG 15 Ca 0.04 -0.96 -0.45 0.00 -1.93 0.00 0.00 57.85 54.54 3n8k n ARG 15 Cb 0.26 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 30.07 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 0.17 1.93 0.00 0.55 4.77 -1.19 -2.76 117.00 120.48 3n8k n LEU 16 Ca 0.19 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.34 3n8k n LEU 16 Cb 0.35 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 3n8k n LEU 16 CO 0.16 -1.29 0.00 0.61 -1.33 0.00 0.00 177.39 175.54 3n8k n GLY 17 N 1.31 2.26 0.11 -0.72 0.00 -1.16 -3.83 105.19 103.16 3n8k n GLY 17 Ca 0.10 -0.75 0.12 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 -6.27 1.61 -0.00 -1.87 -3.42 114.38 104.44 3n8k h ARG 18 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 59.98 59.41 3n8k h ARG 18 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 29.92 3n8k h ARG 18 CO 0.00 0.00 0.94 0.50 -0.00 0.00 0.00 179.97 181.41 3n8k s ARG 19 N -3.28 4.04 -0.28 0.08 3.00 -1.11 -4.32 118.95 117.07 3n8k s ARG 19 Ca 0.03 1.39 -0.01 0.00 -1.00 0.00 0.00 55.73 56.14 3n8k s ARG 19 Cb 0.10 -3.83 0.00 0.00 0.00 0.00 0.00 34.95 31.23 3n8k s ARG 19 CO 0.75 -0.96 0.21 0.39 0.00 0.00 0.00 175.30 175.69 3n8k n GLU 20 N 7.03 -0.54 -0.06 5.12 1.02 -1.26 -4.51 120.64 127.44 3n8k n GLU 20 Ca 0.14 0.27 0.10 0.00 -0.02 0.00 0.00 57.16 57.66 3n8k n GLU 20 Cb 0.46 -0.75 0.49 0.00 -0.02 0.00 0.00 31.44 31.62 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 0.56 0.41 0.00 3.49 0.11 -1.79 0.46 132.00 135.25 3n8k h PRO 21 Ca -0.22 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 3n8k h PRO 21 Cb 0.48 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 3n8k h PRO 21 CO 0.12 0.27 -0.05 0.00 -0.21 0.00 0.00 178.00 178.14 3n8k h ALA 22 N 1.71 1.04 0.01 -0.75 0.00 -1.87 -0.45 119.26 118.95 3n8k h ALA 22 Ca 0.25 -0.04 -0.41 0.00 0.00 0.00 0.00 54.91 54.70 3n8k h ALA 22 Cb 0.42 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3n8k h ALA 22 CO -0.07 0.06 -2.31 0.28 0.00 0.00 0.00 179.25 177.21 3n8k n VAL 23 N -3.20 1.54 0.49 0.00 0.31 -0.01 -4.73 118.33 112.73 3n8k n VAL 23 Ca -0.00 -0.40 0.06 0.00 -0.01 0.00 0.00 64.34 63.99 3n8k n VAL 23 Cb 0.28 -1.78 0.05 0.00 -0.91 0.00 0.00 33.84 31.47 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 -3.99 0.00 0.00 3.52 4.02 -0.26 -4.44 117.16 116.01 3n8k n TYR 24 Ca -0.48 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.41 3n8k n TYR 24 Cb 0.89 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.21 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 0.67 -1.14 1.00 2.72 0.00 -0.18 -4.70 105.19 103.56 3n8k n GLY 25 Ca 0.07 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.27 1.23 3.70 -0.02 0.00 -1.26 -4.15 105.19 103.42 3n8k n GLY 26 Ca 0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.75 4.53 0.72 2.61 2.01 -1.26 -4.44 115.64 118.05 3n8k s THR 27 Ca 0.34 1.82 -0.11 0.00 0.31 0.00 0.00 61.69 64.05 3n8k s THR 27 Cb 0.21 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.58 3n8k s THR 27 CO 0.31 0.07 1.10 0.42 -0.69 0.00 0.00 174.62 175.82 3n8k s THR 28 N 1.61 3.25 0.23 -0.82 -4.23 -1.26 -3.00 115.64 111.42 3n8k s THR 28 Ca 0.53 0.37 -0.05 0.00 -1.18 0.00 0.00 61.69 61.36 3n8k s THR 28 Cb -0.23 -3.39 0.12 0.00 1.34 0.00 0.00 72.50 70.34 3n8k s THR 28 CO 0.24 -0.51 1.75 -0.74 -0.54 0.00 0.00 174.62 174.81 3n8k h HIS 29 N -0.69 1.04 -0.75 3.99 2.76 -1.82 0.56 115.15 120.23 3n8k h HIS 29 Ca -0.45 -0.13 0.01 0.00 -2.20 0.00 0.00 60.37 57.60 3n8k h HIS 29 Cb 1.27 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 29.90 3n8k h HIS 29 CO 0.47 0.88 0.50 -0.44 -1.30 0.00 0.00 177.93 178.03 3n8k h ASP 30 N 0.94 0.86 0.12 3.26 3.32 -1.93 0.41 116.42 123.40 3n8k h ASP 30 Ca 0.19 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 3n8k h ASP 30 Cb 0.39 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3n8k h ASP 30 CO 0.01 0.62 -0.39 -0.33 -1.72 0.00 0.00 179.24 177.43 3n8k h GLU 31 N 1.02 0.36 -0.49 3.56 5.08 -1.86 -2.83 114.58 119.42 3n8k h GLU 31 Ca 0.28 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 3n8k h GLU 31 Cb -0.11 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3n8k h GLU 31 CO -0.06 0.70 -0.03 1.25 -1.00 0.00 0.00 179.01 179.88 3n8k h LEU 32 N 0.30 0.87 -0.31 1.33 5.85 -0.35 -1.94 115.31 121.07 3n8k h LEU 32 Ca 0.03 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.45 3n8k h LEU 32 Cb 0.83 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3n8k h LEU 32 CO 0.07 0.98 0.17 0.58 -0.34 0.00 0.00 178.44 179.90 3n8k h VAL 33 N 0.74 1.02 -0.57 1.05 2.07 -0.85 -1.68 116.25 118.03 3n8k h VAL 33 Ca 0.14 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 3n8k h VAL 33 Cb 0.55 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3n8k h VAL 33 CO 0.03 0.06 0.23 0.00 0.02 0.00 0.00 177.57 177.91 3n8k h ALA 34 N 1.14 0.74 -0.72 1.67 0.00 -1.44 -1.23 119.26 119.43 3n8k h ALA 34 Ca 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3n8k h ALA 34 Cb 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3n8k h ALA 34 CO -0.07 0.35 0.29 -0.07 0.00 0.00 0.00 179.25 179.75 3n8k h LEU 35 N 0.78 0.98 -0.06 0.00 3.38 -1.20 -1.15 115.31 118.04 3n8k h LEU 35 Ca 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3n8k h LEU 35 Cb 0.20 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3n8k h LEU 35 CO -0.02 0.88 -0.01 0.40 0.09 0.00 0.00 178.44 179.79 3n8k h ILE 36 N 1.02 1.27 -0.61 1.22 2.04 -1.15 -2.07 117.51 119.23 3n8k h ILE 36 Ca 0.24 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.26 3n8k h ILE 36 Cb 0.20 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 3n8k h ILE 36 CO -0.02 0.23 0.40 -0.33 0.00 0.00 0.00 178.15 178.44 3n8k h GLU 37 N -0.21 0.79 0.28 2.37 5.08 -1.17 0.37 114.58 122.09 3n8k h GLU 37 Ca 0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3n8k h GLU 37 Cb 0.37 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3n8k h GLU 37 CO 0.00 0.52 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.31 3n8k h ARG 38 N 0.82 -0.37 -0.65 2.33 2.43 -1.16 -2.35 114.38 115.42 3n8k h ARG 38 Ca 0.23 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3n8k h ARG 38 Cb -0.08 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3n8k h ARG 38 CO -0.05 -0.09 0.42 1.49 -1.51 0.00 0.00 179.97 180.23 3n8k h GLU 39 N -0.63 0.87 -0.76 0.20 4.57 -1.10 -2.32 114.58 115.41 3n8k h GLU 39 Ca -0.04 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3n8k h GLU 39 Cb 0.45 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 3n8k h GLU 39 CO 0.06 0.59 0.46 0.00 -1.18 0.00 0.00 179.01 178.95 3n8k h ALA 40 N 1.23 0.97 -0.19 2.92 0.00 -0.97 -1.84 119.26 121.37 3n8k h ALA 40 Ca 0.24 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3n8k h ALA 40 Cb -0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3n8k h ALA 40 CO -0.05 0.43 -0.13 0.00 0.00 0.00 0.00 179.25 179.50 3n8k h ALA 41 N 1.24 1.42 0.00 0.00 0.00 -1.15 0.24 119.26 121.01 3n8k h ALA 41 Ca 0.27 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3n8k h ALA 41 Cb -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3n8k h ALA 41 CO -0.05 0.41 -0.54 0.93 0.00 0.00 0.00 179.25 179.99 3n8k h GLU 42 N 0.30 0.00 -0.01 0.00 5.08 -0.87 -3.12 114.58 115.96 3n8k h GLU 42 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3n8k h GLU 42 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3n8k h GLU 42 CO 0.02 0.54 -0.30 1.28 -1.00 0.00 0.00 179.01 179.56 3n8k n LEU 43 N -3.85 0.94 0.00 1.33 4.77 -0.74 -4.94 117.00 114.50 3n8k n LEU 43 Ca -0.01 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3n8k n LEU 43 Cb 0.56 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3n8k n LEU 43 CO 0.41 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3n8k n GLY 44 N 1.37 0.64 3.53 -0.72 0.00 -0.67 -4.96 105.19 104.37 3n8k n GLY 44 Ca 0.11 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 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 2.79 -0.21 0.99 1.43 0.77 -4.49 118.68 119.96 3n8k s LEU 45 Ca 0.00 -0.80 -0.06 0.00 -1.03 0.00 0.00 54.13 52.24 3n8k s LEU 45 Cb 0.00 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 3n8k s LEU 45 CO 0.00 0.06 0.02 -0.75 0.23 0.00 0.00 176.35 175.91 3n8k s LYS 46 N -3.22 3.64 -0.21 1.70 2.20 -0.11 -3.28 119.74 120.45 3n8k s LYS 46 Ca 0.27 -0.50 -0.07 0.00 -0.36 0.00 0.00 55.97 55.31 3n8k s LYS 46 Cb -0.07 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 3n8k s LYS 46 CO 0.15 -0.04 0.07 0.00 -0.36 0.00 0.00 175.35 175.17 3n8k s ALA 47 N 1.15 3.30 -0.41 3.13 0.00 -1.26 -0.25 121.76 127.41 3n8k s ALA 47 Ca 0.03 -0.92 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 3n8k s ALA 47 Cb -0.14 -2.00 0.06 0.00 0.00 0.00 0.00 23.12 21.04 3n8k s ALA 47 CO 0.02 -0.12 0.27 0.08 0.00 0.00 0.00 175.76 176.00 3n8k s VAL 48 N 0.94 4.58 -0.27 0.00 1.01 -0.33 -4.87 120.40 121.46 3n8k s VAL 48 Ca 0.04 -1.11 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 3n8k s VAL 48 Cb -0.14 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3n8k s VAL 48 CO 0.03 -0.41 0.15 -0.69 0.00 0.00 0.00 175.10 174.17 3n8k s VAL 49 N 1.52 4.96 0.06 2.92 1.01 -1.26 -0.78 120.40 128.83 3n8k s VAL 49 Ca 0.03 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.07 3n8k s VAL 49 Cb -0.22 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3n8k s VAL 49 CO 0.05 0.27 -0.09 -0.13 0.00 0.00 0.00 175.10 175.20 3n8k s ARG 50 N 1.71 0.63 -0.00 2.72 0.52 -0.23 -5.00 118.95 119.30 3n8k s ARG 50 Ca 0.07 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.40 3n8k s ARG 50 Cb -0.16 -0.38 -0.00 0.00 0.52 0.00 0.00 34.95 34.93 3n8k s ARG 50 CO 0.08 0.07 -0.03 -1.14 0.02 0.00 0.00 175.30 174.30 3n8k s GLN 51 N -1.95 0.23 -0.11 3.54 -0.44 -1.26 -0.95 119.66 118.72 3n8k s GLN 51 Ca -0.05 -0.10 -0.15 0.00 -2.50 0.00 0.00 55.36 52.57 3n8k s GLN 51 Cb -0.08 -0.23 0.04 0.00 -1.64 0.00 0.00 33.01 31.10 3n8k s GLN 51 CO 0.00 0.06 0.39 0.45 0.50 0.00 0.00 175.29 176.68 3n8k s SER 52 N -0.04 -0.37 0.00 6.67 0.15 -0.91 -4.99 113.70 114.21 3n8k s SER 52 Ca 0.01 0.63 0.28 0.00 0.70 0.00 0.00 55.95 57.57 3n8k s SER 52 Cb -0.01 0.68 1.10 0.00 -1.71 0.00 0.00 66.02 66.08 3n8k s SER 52 CO -0.00 -0.23 1.79 0.47 1.20 0.00 0.00 173.24 176.47 3n8k n ASP 53 N 2.43 0.44 -4.56 5.45 8.00 -1.26 -2.75 116.55 124.30 3n8k n ASP 53 Ca -0.15 -0.40 -0.40 0.00 0.71 0.00 0.00 54.79 54.55 3n8k n ASP 53 Cb 0.57 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.50 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 -2.62 6.17 0.22 -2.24 0.15 -1.26 -4.69 113.70 109.42 3n8k s SER 54 Ca 0.24 -0.11 -0.08 0.00 0.70 0.00 0.00 55.95 56.70 3n8k s SER 54 Cb 0.19 -2.19 0.30 0.00 -1.71 0.00 0.00 66.02 62.62 3n8k s SER 54 CO 0.52 -0.27 1.77 -0.08 1.20 0.00 0.00 173.24 176.39 3n8k h GLU 55 N 8.39 0.55 -0.81 5.44 4.81 -2.00 -2.11 114.58 128.85 3n8k h GLU 55 Ca -0.31 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.94 3n8k h GLU 55 Cb 1.15 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.36 3n8k h GLU 55 CO 0.66 0.36 0.51 0.00 -0.73 0.00 0.00 179.01 179.81 3n8k h ALA 56 N 1.41 1.09 -0.64 2.92 0.00 -1.99 -0.41 119.26 121.64 3n8k h ALA 56 Ca 0.33 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 3n8k h ALA 56 Cb 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3n8k h ALA 56 CO -0.26 0.28 0.20 0.37 0.00 0.00 0.00 179.25 179.83 3n8k h GLN 57 N 0.95 1.00 -0.77 0.00 5.75 -1.87 -2.25 115.11 117.92 3n8k h GLN 57 Ca 0.34 -0.22 -0.05 0.00 -0.15 0.00 0.00 58.65 58.57 3n8k h GLN 57 Cb 0.10 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 3n8k h GLN 57 CO -0.15 0.88 0.27 -0.07 -2.65 0.00 0.00 178.83 177.12 3n8k h LEU 58 N 0.93 1.10 -0.71 -2.39 3.38 -0.71 -2.15 115.31 114.76 3n8k h LEU 58 Ca 0.21 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3n8k h LEU 58 Cb 0.30 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3n8k h LEU 58 CO -0.01 1.00 0.37 -0.07 0.09 0.00 0.00 178.44 179.82 3n8k h LEU 59 N 1.14 0.90 -0.64 1.67 3.38 -0.97 -2.12 115.31 118.67 3n8k h LEU 59 Ca 0.25 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3n8k h LEU 59 Cb 0.27 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3n8k h LEU 59 CO -0.01 0.76 0.35 -0.78 0.09 0.00 0.00 178.44 178.85 3n8k h ASP 60 N 0.98 0.80 -0.64 -0.43 3.58 -1.05 0.44 116.42 120.11 3n8k h ASP 60 Ca 0.25 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.54 3n8k h ASP 60 Cb 0.07 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 3n8k h ASP 60 CO -0.04 0.67 0.15 -0.50 -2.88 0.00 0.00 179.24 176.64 3n8k h TRP 61 N 0.88 1.09 -0.44 0.28 6.55 -1.25 -1.68 115.95 121.38 3n8k h TRP 61 Ca 0.23 -0.13 -0.10 0.00 0.95 0.00 0.00 58.89 59.84 3n8k h TRP 61 Cb 0.04 -0.31 -0.02 0.00 -0.86 0.00 0.00 29.16 28.02 3n8k h TRP 61 CO -0.01 0.90 -0.12 0.82 -1.05 0.00 0.00 178.44 178.99 3n8k h ILE 62 N 0.96 1.26 -0.48 1.49 2.04 -1.12 -1.89 117.51 119.77 3n8k h ILE 62 Ca 0.20 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.87 3n8k h ILE 62 Cb 0.37 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3n8k h ILE 62 CO 0.00 0.41 0.31 0.45 0.00 0.00 0.00 178.15 179.33 3n8k h HIS 63 N 0.72 0.60 -0.74 1.37 3.86 -0.67 -1.07 115.15 119.22 3n8k h HIS 63 Ca 0.12 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 3n8k h HIS 63 Cb 0.61 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 3n8k h HIS 63 CO 0.03 0.38 0.29 1.96 0.86 0.00 0.00 177.93 181.45 3n8k h GLN 64 N 0.65 1.11 -0.14 2.45 4.20 -1.13 -1.50 115.11 120.75 3n8k h GLN 64 Ca 0.17 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 3n8k h GLN 64 Cb -0.07 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 3n8k h GLN 64 CO -0.04 0.91 -0.32 0.00 -0.67 0.00 0.00 178.83 178.71 3n8k h ALA 65 N 1.23 1.19 -0.38 3.87 0.00 -1.12 -0.80 119.26 123.25 3n8k h ALA 65 Ca 0.25 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3n8k h ALA 65 Cb 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3n8k h ALA 65 CO -0.02 0.53 -0.27 0.00 0.00 0.00 0.00 179.25 179.49 3n8k h ALA 66 N 1.42 0.54 -0.32 0.00 0.00 -0.74 -0.40 119.26 119.75 3n8k h ALA 66 Ca 0.03 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 3n8k h ALA 66 Cb 0.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3n8k h ALA 66 CO 0.05 0.56 -0.35 -0.44 0.00 0.00 0.00 179.25 179.07 3n8k h ASP 67 N 0.65 0.77 -0.09 0.00 3.32 -1.12 -3.10 116.42 116.85 3n8k h ASP 67 Ca 0.07 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3n8k h ASP 67 Cb 0.85 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3n8k h ASP 67 CO 0.07 1.04 0.00 0.00 -1.72 0.00 0.00 179.24 178.64 3n8k n ALA 68 N -2.51 2.55 -3.96 3.45 0.00 -0.32 -4.95 120.51 114.77 3n8k n ALA 68 Ca -0.01 -0.46 -0.28 0.00 0.00 0.00 0.00 53.44 52.69 3n8k n ALA 68 Cb 0.50 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 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 0.16 -1.74 -2.66 0.00 0.00 -0.49 -4.98 120.51 110.80 3n8k n ALA 69 Ca 0.18 -0.12 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 3n8k n ALA 69 Cb 0.32 -2.44 -0.10 0.00 0.00 0.00 0.00 19.45 17.23 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 -6.54 2.86 0.64 0.00 2.02 -0.28 -4.66 118.70 112.73 3n8k s GLU 70 Ca 0.26 -0.51 -0.18 0.00 0.02 0.00 0.00 54.97 54.56 3n8k s GLU 70 Cb -0.14 -2.70 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 3n8k s GLU 70 CO 0.87 0.67 1.28 -2.14 0.02 0.00 0.00 175.26 175.97 3n8k s PRO 71 N -1.08 2.62 -0.10 0.39 0.02 -1.26 -4.70 135.00 130.88 3n8k s PRO 71 Ca 0.15 2.03 0.01 0.00 0.02 0.00 0.00 61.00 63.21 3n8k s PRO 71 Cb -0.11 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.57 3n8k s PRO 71 CO 0.05 -1.54 -0.11 0.08 -0.33 0.00 0.00 177.00 175.14 3n8k s VAL 72 N -1.42 1.22 -0.31 3.83 1.01 -0.83 -1.46 120.40 122.44 3n8k s VAL 72 Ca 0.82 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 3n8k s VAL 72 Cb -0.37 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3n8k s VAL 72 CO 0.39 0.39 0.21 -0.63 0.00 0.00 0.00 175.10 175.45 3n8k s ILE 73 N 1.22 5.18 -0.12 2.22 1.01 0.12 -1.04 121.20 129.78 3n8k s ILE 73 Ca -0.03 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.53 3n8k s ILE 73 Cb -0.14 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.77 3n8k s ILE 73 CO -0.04 0.11 -0.14 -0.22 0.00 0.00 0.00 174.94 174.65 3n8k s LEU 74 N 1.72 1.68 -0.45 2.97 2.96 -0.57 -0.14 118.68 126.85 3n8k s LEU 74 Ca 0.06 -0.44 -0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3n8k s LEU 74 Cb -0.17 -1.11 0.12 0.00 0.50 0.00 0.00 46.19 45.54 3n8k s LEU 74 CO 0.10 -0.02 0.22 0.21 -1.32 0.00 0.00 176.35 175.55 3n8k s ASN 75 N 1.20 5.00 0.00 3.68 3.84 -0.12 -1.85 114.94 126.70 3n8k s ASN 75 Ca -0.02 -2.37 0.28 0.00 0.21 0.00 0.00 52.86 50.95 3n8k s ASN 75 Cb -0.14 -1.76 1.59 0.00 -0.55 0.00 0.00 41.25 40.39 3n8k s ASN 75 CO -0.05 -0.42 2.00 0.00 -2.79 0.00 0.00 177.10 175.83 3n8k n ALA 76 N 4.07 2.49 -0.86 1.71 0.00 -1.26 0.11 120.51 126.76 3n8k n ALA 76 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3n8k n ALA 76 Cb 0.39 -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 0.84 3.16 0.23 0.00 0.00 -1.26 -2.26 105.19 105.90 3n8k n GLY 77 Ca 0.19 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.78 103.07 100.33 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 -1.04 3.11 3.38 -1.83 -2.77 115.31 116.17 3n8k h LEU 79 Ca -0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 3n8k h LEU 79 Cb 0.31 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 3n8k h LEU 79 CO 0.02 0.00 0.61 0.74 0.09 0.00 0.00 178.44 179.91 3n8k h THR 80 N 0.00 0.71 -0.01 0.22 2.02 -1.59 -0.32 112.91 113.94 3n8k h THR 80 Ca 0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3n8k h THR 80 Cb 0.40 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 3n8k h THR 80 CO 0.00 0.14 -0.44 1.41 0.37 0.00 0.00 175.52 176.99 3n8k n HIS 81 N -4.74 0.00 0.00 3.16 8.25 -1.04 -1.79 115.22 119.05 3n8k n HIS 81 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 3n8k n HIS 81 Cb 0.57 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.61 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 -0.58 0.00 -2.93 1.59 -2.24 -1.02 -4.82 114.28 104.28 3n8k n THR 82 Ca 0.10 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.45 3n8k n THR 82 Cb 0.39 -0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.47 6.42 0.13 3.42 0.15 -0.16 -4.88 113.70 116.32 3n8k s SER 83 Ca 0.00 -0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.55 3n8k s SER 83 Cb 0.00 -2.40 -0.09 0.00 -1.71 0.00 0.00 66.02 61.82 3n8k s SER 83 CO 0.00 -0.95 1.31 0.58 1.20 0.00 0.00 173.24 175.38 3n8k h VAL 84 N 6.00 1.45 -0.86 4.45 2.07 -1.96 -3.20 116.25 124.19 3n8k h VAL 84 Ca -0.25 -2.59 0.04 0.00 0.82 0.00 0.00 66.70 64.72 3n8k h VAL 84 Cb 1.08 2.51 -0.05 0.00 -1.52 0.00 0.00 31.29 33.31 3n8k h VAL 84 CO 0.98 0.76 0.56 0.00 0.02 0.00 0.00 177.57 179.89 3n8k h ALA 85 N 0.79 1.47 -0.31 1.67 0.00 -1.98 -0.23 119.26 120.67 3n8k h ALA 85 Ca -0.07 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 3n8k h ALA 85 Cb 1.61 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3n8k h ALA 85 CO 0.16 0.44 -0.50 1.25 0.00 0.00 0.00 179.25 180.60 3n8k h LEU 86 N 1.06 0.96 -0.30 0.00 5.85 -1.95 -2.46 115.31 118.47 3n8k h LEU 86 Ca 0.34 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.59 3n8k h LEU 86 Cb 0.04 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3n8k h LEU 86 CO -0.10 1.28 0.15 -0.09 -0.34 0.00 0.00 178.44 179.34 3n8k h ARG 87 N 0.69 0.30 -0.92 1.25 2.43 -1.40 -1.98 114.38 114.75 3n8k h ARG 87 Ca 0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3n8k h ARG 87 Cb 1.10 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.53 3n8k h ARG 87 CO 0.11 0.20 0.59 -0.44 -1.51 0.00 0.00 179.97 178.92 3n8k h ASP 88 N 0.31 1.07 -0.59 -3.80 3.32 -1.01 -1.64 116.42 114.07 3n8k h ASP 88 Ca 0.13 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3n8k h ASP 88 Cb 0.05 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 3n8k h ASP 88 CO -0.09 0.80 0.26 0.00 -1.72 0.00 0.00 179.24 178.49 3n8k h ALA 89 N 1.32 0.77 0.00 3.45 0.00 -1.29 -2.84 119.26 120.67 3n8k h ALA 89 Ca 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3n8k h ALA 89 Cb -0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3n8k h ALA 89 CO -0.07 0.35 -0.04 0.00 0.00 0.00 0.00 179.25 179.49 3n8k h ALA 91 N 1.96 1.00 0.00 0.00 0.00 -1.06 -2.86 119.26 118.30 3n8k h ALA 91 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3n8k h ALA 91 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3n8k h ALA 91 CO 0.01 0.00 -0.47 0.93 0.00 0.00 0.00 179.25 179.71 3n8k h GLU 92 N 0.00 0.00 -6.39 0.00 5.08 -1.61 -3.46 114.58 108.20 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 0.02 0.00 0.50 0.00 0.00 28.75 29.72 3n8k h GLU 92 CO 0.00 0.47 1.08 -0.51 -1.00 0.00 0.00 179.01 179.06 3n8k s LEU 93 N -6.96 4.37 -0.03 1.33 1.43 -1.08 -4.89 118.68 112.85 3n8k s LEU 93 Ca 0.01 2.49 0.12 0.00 -1.03 0.00 0.00 54.13 55.73 3n8k s LEU 93 Cb 0.10 -3.55 -0.23 0.00 0.03 0.00 0.00 46.19 42.55 3n8k s LEU 93 CO 0.72 -0.95 0.71 0.77 0.23 0.00 0.00 176.35 177.83 3n8k h SER 94 N 9.14 0.00 -4.33 2.29 4.64 -1.89 -3.47 113.55 119.94 3n8k h SER 94 Ca -0.44 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.38 3n8k h SER 94 Cb 1.20 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.35 3n8k h SER 94 CO 0.94 0.98 0.40 0.00 -0.87 0.00 0.00 176.83 178.29 3n8k s ALA 95 N -2.62 3.02 0.46 5.18 0.00 -1.26 -5.00 121.76 121.54 3n8k s ALA 95 Ca -0.04 -0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.66 3n8k s ALA 95 Cb 0.08 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 20.01 3n8k s ALA 95 CO 0.82 -0.71 1.34 -2.30 0.00 0.00 0.00 175.76 174.91 3n8k n PRO 96 N -2.62 2.00 -4.37 0.00 -0.02 -1.26 -4.78 135.00 123.95 3n8k n PRO 96 Ca 0.06 0.71 -0.33 0.00 -2.02 0.00 0.00 63.50 61.93 3n8k n PRO 96 Cb 0.54 -2.50 -0.16 0.00 -0.02 0.00 0.00 33.50 31.36 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 -2.33 2.35 -0.17 2.45 2.96 -1.26 -1.96 118.68 120.71 3n8k s LEU 97 Ca 0.63 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 3n8k s LEU 97 Cb -0.47 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 44.71 3n8k s LEU 97 CO 0.56 0.05 -0.19 -0.51 -1.32 0.00 0.00 176.35 174.94 3n8k s ILE 98 N 1.03 1.93 -0.03 6.68 -1.16 -0.21 0.15 121.20 129.59 3n8k s ILE 98 Ca -0.01 -0.86 -0.25 0.00 -0.51 0.00 0.00 60.65 59.02 3n8k s ILE 98 Cb -0.15 -1.75 -0.04 0.00 0.61 0.00 0.00 42.46 41.13 3n8k s ILE 98 CO -0.05 0.52 0.77 -0.70 -2.81 0.00 0.00 174.94 172.67 3n8k s GLU 99 N 1.31 4.47 -0.04 3.50 2.12 -0.36 -1.51 118.70 128.19 3n8k s GLU 99 Ca 0.04 1.03 0.04 0.00 0.36 0.00 0.00 54.97 56.44 3n8k s GLU 99 Cb -0.13 -3.44 -0.00 0.00 0.26 0.00 0.00 34.13 30.82 3n8k s GLU 99 CO -0.12 0.08 -0.16 0.08 -0.54 0.00 0.00 175.26 174.60 3n8k s VAL 100 N 0.70 1.32 -0.04 3.70 1.01 -0.77 -0.24 120.40 126.09 3n8k s VAL 100 Ca 0.41 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.77 3n8k s VAL 100 Cb -0.19 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.05 3n8k s VAL 100 CO 0.21 0.39 -0.11 -1.00 0.00 0.00 0.00 175.10 174.58 3n8k s HIS 101 N 0.13 1.23 0.01 5.22 3.76 0.47 -4.18 115.29 121.94 3n8k s HIS 101 Ca -0.05 -0.37 -0.25 0.00 -0.15 0.00 0.00 55.06 54.24 3n8k s HIS 101 Cb -0.12 -0.88 -0.17 0.00 1.11 0.00 0.00 32.58 32.52 3n8k s HIS 101 CO 0.02 -0.17 1.31 0.82 -0.85 0.00 0.00 174.74 175.88 3n8k h ILE 102 N 5.58 0.83 -4.09 0.60 2.04 -1.86 -2.28 117.51 118.32 3n8k h ILE 102 Ca -0.33 -0.60 -0.50 0.00 1.00 0.00 0.00 64.86 64.43 3n8k h ILE 102 Cb 1.17 1.16 0.04 0.00 -0.74 0.00 0.00 36.82 38.46 3n8k h ILE 102 CO 0.48 0.13 0.31 -0.94 0.00 0.00 0.00 178.15 178.13 3n8k s SER 103 N -5.17 6.31 -0.67 1.72 1.04 -1.26 -1.77 113.70 113.91 3n8k s SER 103 Ca -0.14 1.30 -0.27 0.00 0.48 0.00 0.00 55.95 57.31 3n8k s SER 103 Cb 0.03 -2.41 0.01 0.00 0.10 0.00 0.00 66.02 63.74 3n8k s SER 103 CO 0.58 -0.73 1.52 0.21 0.98 0.00 0.00 173.24 175.81 3n8k s ASN 104 N -3.94 5.81 0.30 7.02 3.84 -1.26 -2.33 114.94 124.37 3n8k s ASN 104 Ca 0.53 -0.05 0.25 0.00 0.21 0.00 0.00 52.86 53.80 3n8k s ASN 104 Cb -0.11 -2.55 1.05 0.00 -0.55 0.00 0.00 41.25 39.10 3n8k s ASN 104 CO 0.47 -2.03 1.74 1.62 -2.79 0.00 0.00 177.10 176.11 3n8k h VAL 105 N 6.41 0.00 -0.00 -5.21 3.04 -1.92 -1.88 116.25 116.68 3n8k h VAL 105 Ca -0.27 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 3n8k h VAL 105 Cb 1.10 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 3n8k h VAL 105 CO 1.24 0.00 -0.64 1.41 -1.01 0.00 0.00 177.57 178.57 3n8k n HIS 106 N -2.33 0.00 0.69 3.17 8.25 -1.26 -3.92 115.22 119.81 3n8k n HIS 106 Ca 0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.59 3n8k n HIS 106 Cb 0.22 -0.16 0.25 0.00 1.12 0.00 0.00 29.99 31.42 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 -1.42 2.46 -2.66 -1.41 0.00 -0.71 -4.94 120.51 111.84 3n8k n ALA 107 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3n8k n ALA 107 Cb 0.34 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 1.15 3.60 -1.97 0.00 1.74 -1.24 -5.09 116.66 114.84 3n8k n ARG 108 Ca 0.18 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.89 3n8k n ARG 108 Cb 0.53 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.00 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 3.61 3.13 0.39 5.56 8.01 -1.26 -4.92 118.70 133.22 3n8k s GLU 109 Ca 0.00 1.95 0.07 0.00 0.01 0.00 0.00 54.97 57.01 3n8k s GLU 109 Cb 0.00 -2.10 0.81 0.00 -4.31 0.00 0.00 34.13 28.53 3n8k s GLU 109 CO 0.00 -1.11 1.99 1.49 0.01 0.00 0.00 175.26 177.64 3n8k h GLU 110 N 1.24 0.63 0.00 1.61 4.22 -1.96 -2.05 114.58 118.27 3n8k h GLU 110 Ca -0.50 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.90 3n8k h GLU 110 Cb 1.29 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3n8k h GLU 110 CO 0.56 0.42 0.00 0.27 -2.18 0.00 0.00 179.01 178.08 3n8k h PHE 111 N 0.65 0.00 -0.00 0.92 -5.15 -1.95 -2.40 116.94 109.00 3n8k h PHE 111 Ca 0.26 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.03 3n8k h PHE 111 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.37 3n8k h PHE 111 CO -0.00 0.00 -0.15 0.54 -2.00 0.00 0.00 178.31 176.70 3n8k n ARG 112 N -2.32 0.67 -0.11 6.09 1.74 -0.77 -4.09 116.66 117.87 3n8k n ARG 112 Ca 0.02 -0.27 0.11 0.00 -0.77 0.00 0.00 57.85 56.94 3n8k n ARG 112 Cb 0.21 -1.49 0.31 0.00 -1.02 0.00 0.00 32.46 30.47 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 -0.93 2.01 -3.00 5.56 1.74 -0.91 -4.52 116.66 116.61 3n8k n ARG 113 Ca 0.13 -1.51 -0.24 0.00 -0.77 0.00 0.00 57.85 55.46 3n8k n ARG 113 Cb 0.30 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 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 0.75 2.78 -1.68 -1.55 8.25 -1.26 -5.04 115.22 117.47 3n8k n HIS 114 Ca 0.17 -3.90 -0.44 0.00 -0.26 0.00 0.00 57.72 53.29 3n8k n HIS 114 Cb 0.43 -0.45 -0.02 0.00 1.12 0.00 0.00 29.99 31.06 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 -0.09 2.93 0.18 0.41 2.88 -1.26 -4.82 113.62 113.84 3n8k n SER 115 Ca 0.29 1.14 0.06 0.00 -1.33 0.00 0.00 58.87 59.03 3n8k n SER 115 Cb 0.49 -1.45 0.22 0.00 -0.75 0.00 0.00 64.21 62.72 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 4.31 0.00 0.02 0.66 0.05 -1.67 -3.34 116.97 117.01 3n8k h TYR 116 Ca -0.45 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.06 3n8k h TYR 116 Cb 1.27 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.97 3n8k h TYR 116 CO 0.57 0.37 -1.47 -0.07 -1.05 0.00 0.00 178.16 176.51 3n8k h LEU 117 N 0.00 0.07 -0.73 3.88 3.38 -1.91 -3.39 115.31 116.62 3n8k h LEU 117 Ca -0.00 -0.11 0.13 0.00 0.09 0.00 0.00 57.88 57.99 3n8k h LEU 117 Cb 1.08 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.72 3n8k h LEU 117 CO 0.05 1.09 0.30 0.28 0.09 0.00 0.00 178.44 180.25 3n8k h SER 118 N 0.01 0.29 0.52 -0.43 0.02 -1.93 -1.22 113.55 110.81 3n8k h SER 118 Ca -0.20 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3n8k h SER 118 Cb 1.94 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 64.54 3n8k h SER 118 CO 0.11 0.13 -0.09 -0.65 -1.14 0.00 0.00 176.83 175.18 3n8k h PRO 119 N 0.46 0.00 -0.01 3.45 0.11 -1.79 -3.03 132.00 131.19 3n8k h PRO 119 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3n8k h PRO 119 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3n8k h PRO 119 CO -0.37 0.09 -0.32 0.44 -0.21 0.00 0.00 178.00 177.63 3n8k n ILE 120 N -3.42 0.00 -2.27 4.15 -6.64 -0.77 -4.99 119.36 105.42 3n8k n ILE 120 Ca -0.01 -0.34 -0.32 0.00 -1.77 0.00 0.00 62.75 60.31 3n8k n ILE 120 Cb 0.25 1.19 -0.02 0.00 -1.44 0.00 0.00 39.64 39.63 3n8k n ILE 120 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3n8k s ALA 121 N -1.88 3.11 0.10 -1.28 0.00 -0.53 -4.92 121.76 116.36 3n8k s ALA 121 Ca 0.13 0.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.98 3n8k s ALA 121 Cb 0.13 -3.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 3n8k s ALA 121 CO 0.40 -0.36 1.58 1.15 0.00 0.00 0.00 175.76 178.52 3n8k h THR 122 N 0.53 1.24 -3.16 0.00 2.02 -0.61 -3.48 112.91 109.45 3n8k h THR 122 Ca -0.46 -0.83 0.02 0.00 0.77 0.00 0.00 66.41 65.91 3n8k h THR 122 Cb 1.19 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 68.72 3n8k h THR 122 CO 0.62 0.27 0.16 -0.83 0.37 0.00 0.00 175.52 176.11 3n8k s GLY 123 N -3.09 0.15 -0.03 2.16 0.00 -1.21 -5.05 107.32 100.24 3n8k s GLY 123 Ca -0.13 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.07 3n8k s GLY 123 CO 0.75 -0.26 -0.06 0.14 0.00 0.00 0.00 173.10 173.68 3n8k s VAL 124 N -3.66 0.58 -0.16 1.40 1.01 -1.26 -1.23 120.40 117.08 3n8k s VAL 124 Ca 0.15 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.94 3n8k s VAL 124 Cb -0.05 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.78 3n8k s VAL 124 CO 0.09 0.21 -0.19 -0.63 0.00 0.00 0.00 175.10 174.58 3n8k s ILE 125 N 0.59 2.26 0.01 2.22 1.01 0.67 -4.98 121.20 122.98 3n8k s ILE 125 Ca -0.08 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.71 3n8k s ILE 125 Cb -0.11 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 3n8k s ILE 125 CO 0.00 0.53 -0.11 -0.69 0.00 0.00 0.00 174.94 174.68 3n8k s VAL 126 N 1.04 0.84 0.00 2.92 1.01 -1.26 -0.40 120.40 124.55 3n8k s VAL 126 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3n8k s VAL 126 Cb -0.14 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.49 3n8k s VAL 126 CO -0.06 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.72 3n8k n GLY 127 N 2.37 0.78 1.35 4.51 0.00 -0.86 -4.84 105.19 108.50 3n8k n GLY 127 Ca -0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 3.95 0.00 0.99 4.77 -1.24 -4.60 117.00 120.88 3n8k n LEU 128 Ca 0.00 -2.00 0.00 0.00 -0.03 0.00 0.00 56.01 53.98 3n8k n LEU 128 Cb 0.00 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 3n8k n LEU 128 CO 0.00 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3n8k n GLY 129 N 0.73 0.97 0.19 -0.72 0.00 -0.73 -3.53 105.19 102.11 3n8k n GLY 129 Ca 0.19 -0.73 0.03 0.00 0.00 0.00 0.00 46.02 45.52 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 1.25 0.00 -0.61 6.09 -1.90 -2.89 117.51 119.45 3n8k h ILE 130 Ca 0.00 -1.22 0.00 0.00 -1.37 0.00 0.00 64.86 62.27 3n8k h ILE 130 Cb 0.00 1.66 0.00 0.00 0.47 0.00 0.00 36.82 38.95 3n8k h ILE 130 CO 0.00 0.35 0.00 -0.61 -3.07 0.00 0.00 178.15 174.82 3n8k h GLN 131 N 0.00 0.00 -0.94 2.19 4.15 -1.98 -2.95 115.11 115.58 3n8k h GLN 131 Ca -0.00 0.00 0.19 0.00 0.77 0.00 0.00 58.65 59.61 3n8k h GLN 131 Cb 0.63 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.24 3n8k h GLN 131 CO 0.05 0.00 0.60 0.78 -1.93 0.00 0.00 178.83 178.33 3n8k h GLY 132 N 1.06 1.17 1.03 2.39 0.00 -1.62 0.13 103.07 107.24 3n8k h GLY 132 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 3n8k h GLY 132 CO 0.00 -0.01 -0.09 -0.97 0.00 0.00 0.00 176.54 175.48 3n8k h TYR 133 N 0.55 0.99 -0.26 5.60 -1.99 -1.76 -1.80 116.97 118.30 3n8k h TYR 133 Ca 0.50 -0.20 -0.17 0.00 2.00 0.00 0.00 58.73 60.86 3n8k h TYR 133 Cb 1.04 -0.25 -0.00 0.00 2.00 0.00 0.00 36.73 39.53 3n8k h TYR 133 CO -0.00 0.96 -0.51 -0.07 -0.00 0.00 0.00 178.16 178.54 3n8k h LEU 134 N 0.73 0.80 -0.96 3.88 3.38 -1.16 -0.81 115.31 121.17 3n8k h LEU 134 Ca 0.12 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 3n8k h LEU 134 Cb 0.63 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3n8k h LEU 134 CO 0.04 1.16 -0.33 -0.07 0.09 0.00 0.00 178.44 179.33 3n8k h LEU 135 N 0.57 0.36 -0.60 1.67 3.38 -0.87 -1.82 115.31 118.01 3n8k h LEU 135 Ca 0.02 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3n8k h LEU 135 Cb 1.08 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3n8k h LEU 135 CO 0.11 0.67 0.05 0.00 0.09 0.00 0.00 178.44 179.36 3n8k h ALA 136 N 1.35 0.80 -0.66 1.53 0.00 -1.03 -2.58 119.26 118.67 3n8k h ALA 136 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3n8k h ALA 136 Cb 0.73 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3n8k h ALA 136 CO 0.06 0.60 0.41 -0.07 0.00 0.00 0.00 179.25 180.25 3n8k h LEU 137 N 0.92 0.78 -0.91 0.00 3.38 -0.88 -2.89 115.31 115.70 3n8k h LEU 137 Ca 0.18 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3n8k h LEU 137 Cb 0.49 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3n8k h LEU 137 CO 0.02 0.59 0.12 -0.09 0.09 0.00 0.00 178.44 179.17 3n8k h ARG 138 N 0.89 0.91 -0.51 1.13 2.43 -1.21 -0.49 114.38 117.54 3n8k h ARG 138 Ca 0.24 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3n8k h ARG 138 Cb -0.05 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 3n8k h ARG 138 CO -0.05 0.83 0.33 -0.92 -1.51 0.00 0.00 179.97 178.65 3n8k h TYR 139 N 0.87 0.65 -0.11 2.20 3.20 -1.37 -1.81 116.97 120.60 3n8k h TYR 139 Ca 0.18 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 3n8k h TYR 139 Cb 0.35 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3n8k h TYR 139 CO 0.02 0.42 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.41 3n8k h LEU 140 N 0.68 0.29 -1.14 2.82 3.38 -1.25 -1.88 115.31 118.22 3n8k h LEU 140 Ca 0.18 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3n8k h LEU 140 Cb -0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3n8k h LEU 140 CO -0.04 0.73 -0.39 0.00 0.09 0.00 0.00 178.44 178.83 3n8k h ALA 141 N 1.28 1.29 0.00 1.53 0.00 -0.90 -2.93 119.26 119.53 3n8k h ALA 141 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3n8k h ALA 141 Cb 0.94 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3n8k h ALA 141 CO 0.08 0.52 -0.53 -1.91 0.00 0.00 0.00 179.25 177.40 3n8k n GLU 142 N -4.06 0.10 0.00 0.00 4.07 -0.70 -5.09 120.64 114.96 3n8k n GLU 142 Ca -0.02 0.03 0.01 0.00 -0.06 0.00 0.00 57.16 57.12 3n8k n GLU 142 Cb 0.44 -1.56 0.01 0.00 -0.06 0.00 0.00 31.44 30.26 3n8k n GLU 142 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79