#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 4.49 -0.15 1.47 1.09 -1.26 -3.25 121.20 123.58 3n8k s ILE 4 Ca 0.00 -0.14 0.00 0.00 -1.10 0.00 0.00 60.65 59.42 3n8k s ILE 4 Cb 0.00 -3.02 -0.00 0.00 -1.06 0.00 0.00 42.46 38.37 3n8k s ILE 4 CO 0.00 0.44 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.44 3n8k s VAL 5 N 0.60 2.67 -0.10 2.92 1.01 -0.58 -4.08 120.40 122.83 3n8k s VAL 5 Ca 0.02 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 3n8k s VAL 5 Cb -0.13 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 3n8k s VAL 5 CO 0.02 0.52 0.40 0.20 0.00 0.00 0.00 175.10 176.24 3n8k s ASN 6 N 0.72 6.64 -0.24 3.32 0.01 -0.81 -3.20 114.94 121.38 3n8k s ASN 6 Ca -0.07 0.76 -0.02 0.00 -0.71 0.00 0.00 52.86 52.82 3n8k s ASN 6 Cb -0.16 -2.25 0.02 0.00 0.41 0.00 0.00 41.25 39.28 3n8k s ASN 6 CO 0.01 0.12 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.96 3n8k s VAL 7 N 0.13 2.90 -0.12 1.60 1.01 -0.57 0.48 120.40 125.84 3n8k s VAL 7 Ca 0.23 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3n8k s VAL 7 Cb -0.15 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.80 3n8k s VAL 7 CO 0.09 0.24 -0.19 -0.63 0.00 0.00 0.00 175.10 174.61 3n8k s ILE 8 N 1.34 1.81 -0.10 2.22 1.01 -0.28 -0.97 121.20 126.24 3n8k s ILE 8 Ca 0.01 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.83 3n8k s ILE 8 Cb -0.16 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 3n8k s ILE 8 CO -0.05 0.50 -0.13 0.20 0.00 0.00 0.00 174.94 175.46 3n8k s ASN 9 N 0.80 4.04 0.56 3.58 0.01 0.32 -2.09 114.94 122.17 3n8k s ASN 9 Ca -0.09 -0.27 0.00 0.00 -0.71 0.00 0.00 52.86 51.79 3n8k s ASN 9 Cb -0.16 -1.34 0.00 0.00 0.41 0.00 0.00 41.25 40.16 3n8k s ASN 9 CO 0.00 0.23 0.00 0.61 -1.51 0.00 0.00 177.10 176.43 3n8k n GLY 10 N 3.08 -0.59 3.55 0.66 0.00 0.79 -2.15 105.19 110.52 3n8k n GLY 10 Ca -0.18 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 3n8k n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3n8k n PRO 11 N -0.65 0.88 0.00 1.61 -0.04 -1.05 -3.05 135.00 132.69 3n8k n PRO 11 Ca 0.00 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 3n8k n PRO 11 Cb 0.00 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 3n8k n PRO 11 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3n8k n ASN 12 N 0.28 0.00 0.01 3.54 3.02 -1.26 -4.52 115.26 116.34 3n8k n ASN 12 Ca 0.11 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.80 3n8k n ASN 12 Cb 0.44 -0.51 0.59 0.00 -0.61 0.00 0.00 39.78 39.69 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 0.09 -0.00 3.41 4.77 -1.17 -1.87 117.00 122.23 3n8k n LEU 13 Ca 0.00 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.63 3n8k n LEU 13 Cb 0.00 -0.48 0.63 0.00 -2.33 0.00 0.00 43.42 41.24 3n8k n LEU 13 CO 0.00 -0.03 0.95 0.61 -1.33 0.00 0.00 177.39 177.59 3n8k n GLY 14 N 1.45 -1.45 1.56 -0.72 0.00 -1.26 -3.58 105.19 101.19 3n8k n GLY 14 Ca 0.07 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.46 3.83 -1.78 1.61 5.12 -0.78 -4.76 116.66 118.44 3n8k n ARG 15 Ca 0.08 -2.90 -0.38 0.00 -1.93 0.00 0.00 57.85 52.71 3n8k n ARG 15 Cb 0.32 -1.92 0.04 0.00 -1.16 0.00 0.00 32.46 29.74 3n8k n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3n8k s LEU 16 N -2.00 3.87 0.00 0.55 1.43 -1.23 -1.98 118.68 119.32 3n8k s LEU 16 Ca 0.50 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 56.38 3n8k s LEU 16 Cb 0.34 -4.24 0.00 0.00 0.03 0.00 0.00 46.19 42.31 3n8k s LEU 16 CO 0.22 -1.54 0.00 0.61 0.23 0.00 0.00 176.35 175.87 3n8k n GLY 17 N 0.71 3.05 0.30 -3.19 0.00 -1.12 -4.04 105.19 100.90 3n8k n GLY 17 Ca 0.10 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.34 3n8k n GLY 17 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3n8k n ARG 18 N 0.00 1.86 -2.69 1.61 1.85 -1.19 -4.65 116.66 113.44 3n8k n ARG 18 Ca 0.00 -0.71 -0.43 0.00 -1.00 0.00 0.00 57.85 55.71 3n8k n ARG 18 Cb 0.00 -1.19 -0.03 0.00 -1.05 0.00 0.00 32.46 30.19 3n8k n ARG 18 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3n8k s ARG 19 N -1.68 4.02 0.00 2.89 0.52 -0.84 -4.68 118.95 119.19 3n8k s ARG 19 Ca 0.11 0.95 0.00 0.00 -0.52 0.00 0.00 55.73 56.27 3n8k s ARG 19 Cb 0.11 -3.75 0.00 0.00 0.52 0.00 0.00 34.95 31.83 3n8k s ARG 19 CO 0.34 -0.89 0.00 0.39 0.02 0.00 0.00 175.30 175.16 3n8k n GLU 20 N 6.80 0.00 0.21 3.54 1.02 -1.26 -4.51 120.64 126.44 3n8k n GLU 20 Ca 0.10 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.41 3n8k n GLU 20 Cb 0.47 0.00 0.82 0.00 -0.02 0.00 0.00 31.44 32.71 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 0.24 0.00 -0.67 3.49 0.11 -1.83 -1.34 132.00 131.99 3n8k h PRO 21 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3n8k h PRO 21 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3n8k h PRO 21 CO 0.00 0.00 0.38 0.00 -0.21 0.00 0.00 178.00 178.17 3n8k h ALA 22 N 1.81 1.41 0.00 -0.75 0.00 -1.89 -1.42 119.26 118.43 3n8k h ALA 22 Ca 0.08 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3n8k h ALA 22 Cb 0.43 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3n8k h ALA 22 CO -0.00 0.49 -1.72 1.33 0.00 0.00 0.00 179.25 179.35 3n8k n VAL 23 N -4.39 0.49 -0.03 0.00 0.24 -0.90 -4.74 118.33 109.01 3n8k n VAL 23 Ca 0.07 -0.42 0.04 0.00 -2.04 0.00 0.00 64.34 61.99 3n8k n VAL 23 Cb 0.09 -0.33 -0.13 0.00 -1.47 0.00 0.00 33.84 31.99 3n8k n VAL 23 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3n8k n TYR 24 N -2.24 0.00 0.00 6.34 4.02 -0.56 -4.13 117.16 120.60 3n8k n TYR 24 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 3n8k n TYR 24 Cb 0.67 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 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 1.67 0.85 1.55 2.72 0.00 -0.53 -4.75 105.19 106.70 3n8k n GLY 25 Ca -0.09 -1.89 0.07 0.00 0.00 0.00 0.00 46.02 44.12 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 1.19 2.55 3.70 -0.02 0.00 -1.26 -3.97 105.19 107.38 3n8k n GLY 26 Ca 0.00 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.11 5.13 0.75 2.61 2.01 -1.26 -4.66 115.64 118.10 3n8k s THR 27 Ca 0.46 1.04 -0.12 0.00 0.31 0.00 0.00 61.69 63.38 3n8k s THR 27 Cb 0.32 -3.87 0.04 0.00 0.01 0.00 0.00 72.50 69.00 3n8k s THR 27 CO 0.18 0.25 1.11 0.42 -0.69 0.00 0.00 174.62 175.89 3n8k s THR 28 N 1.11 3.16 0.21 -0.82 -4.23 -1.26 -2.80 115.64 111.01 3n8k s THR 28 Ca 0.27 0.38 -0.07 0.00 -1.18 0.00 0.00 61.69 61.09 3n8k s THR 28 Cb -0.16 -3.30 0.09 0.00 1.34 0.00 0.00 72.50 70.47 3n8k s THR 28 CO 0.11 -0.49 1.69 -0.74 -0.54 0.00 0.00 174.62 174.65 3n8k h HIS 29 N -0.84 1.10 -0.55 3.99 2.76 -1.82 -1.11 115.15 118.68 3n8k h HIS 29 Ca -0.46 -0.17 -0.05 0.00 -2.20 0.00 0.00 60.37 57.50 3n8k h HIS 29 Cb 1.27 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.91 3n8k h HIS 29 CO 0.46 0.96 0.16 -0.44 -1.30 0.00 0.00 177.93 177.77 3n8k h ASP 30 N 0.95 0.78 0.21 3.26 5.19 -1.94 0.55 116.42 125.42 3n8k h ASP 30 Ca 0.18 -0.13 -0.13 0.00 -0.62 0.00 0.00 57.03 56.33 3n8k h ASP 30 Cb 0.49 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 3n8k h ASP 30 CO 0.02 0.74 -0.49 -0.33 -3.12 0.00 0.00 179.24 176.06 3n8k h GLU 31 N 0.81 0.32 -0.51 3.56 5.08 -1.90 -2.69 114.58 119.26 3n8k h GLU 31 Ca 0.18 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3n8k h GLU 31 Cb 0.26 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3n8k h GLU 31 CO -0.01 0.75 -0.14 1.25 -1.00 0.00 0.00 179.01 179.86 3n8k h LEU 32 N 0.26 1.00 -0.52 1.33 5.85 -0.51 -1.28 115.31 121.43 3n8k h LEU 32 Ca 0.01 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.40 3n8k h LEU 32 Cb 0.96 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3n8k h LEU 32 CO 0.08 1.13 0.33 0.58 -0.34 0.00 0.00 178.44 180.22 3n8k h VAL 33 N 0.87 1.11 -0.22 1.05 2.07 -0.84 -2.02 116.25 118.27 3n8k h VAL 33 Ca 0.13 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.31 3n8k h VAL 33 Cb 0.71 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3n8k h VAL 33 CO 0.05 0.12 -0.33 0.00 0.02 0.00 0.00 177.57 177.44 3n8k h ALA 34 N 1.20 1.03 -0.28 1.67 0.00 -1.35 -2.32 119.26 119.22 3n8k h ALA 34 Ca 0.20 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 3n8k h ALA 34 Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3n8k h ALA 34 CO -0.06 0.59 -0.45 -0.07 0.00 0.00 0.00 179.25 179.26 3n8k h LEU 35 N 0.39 0.80 -0.16 0.00 3.38 -0.99 -2.49 115.31 116.23 3n8k h LEU 35 Ca 0.05 -0.39 -0.14 0.00 0.09 0.00 0.00 57.88 57.49 3n8k h LEU 35 Cb 0.76 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3n8k h LEU 35 CO 0.06 1.13 -0.46 0.40 0.09 0.00 0.00 178.44 179.66 3n8k h ILE 36 N 0.59 1.34 -0.67 1.22 2.04 -1.33 -2.14 117.51 118.56 3n8k h ILE 36 Ca 0.04 -1.72 -0.03 0.00 1.00 0.00 0.00 64.86 64.15 3n8k h ILE 36 Cb 1.01 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 39.04 3n8k h ILE 36 CO 0.10 0.53 0.31 -0.33 0.00 0.00 0.00 178.15 178.75 3n8k h GLU 37 N 0.26 0.95 -0.18 2.37 5.08 -1.45 -0.74 114.58 120.87 3n8k h GLU 37 Ca -0.01 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 3n8k h GLU 37 Cb 1.08 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3n8k h GLU 37 CO 0.10 0.75 -0.43 0.00 -1.00 0.00 0.00 179.01 178.43 3n8k h ARG 38 N 0.95 0.62 -0.44 2.33 3.08 -1.48 -3.20 114.38 116.23 3n8k h ARG 38 Ca 0.23 -0.42 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 3n8k h ARG 38 Cb 0.12 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3n8k h ARG 38 CO -0.03 1.03 -0.04 1.49 -1.07 0.00 0.00 179.97 181.36 3n8k h GLU 39 N 0.29 0.75 0.00 0.04 4.57 -1.12 -2.66 114.58 116.45 3n8k h GLU 39 Ca -0.00 -0.21 -0.04 0.00 -1.18 0.00 0.00 59.36 57.93 3n8k h GLU 39 Cb 1.04 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 3n8k h GLU 39 CO 0.09 0.78 -0.19 0.00 -1.18 0.00 0.00 179.01 178.52 3n8k h ALA 40 N 1.26 1.14 -0.07 2.92 0.00 -1.21 -2.97 119.26 120.33 3n8k h ALA 40 Ca 0.13 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3n8k h ALA 40 Cb 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3n8k h ALA 40 CO 0.02 0.23 -0.60 0.00 0.00 0.00 0.00 179.25 178.90 3n8k h ALA 41 N 1.81 0.84 0.00 0.00 0.00 -1.46 0.23 119.26 120.69 3n8k h ALA 41 Ca -0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 3n8k h ALA 41 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3n8k h ALA 41 CO 0.02 0.73 -0.43 0.93 0.00 0.00 0.00 179.25 180.50 3n8k h GLU 42 N 0.19 0.00 -0.00 0.00 3.07 -1.55 -3.10 114.58 113.19 3n8k h GLU 42 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3n8k h GLU 42 Cb 1.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3n8k h GLU 42 CO 0.09 0.43 -0.56 1.28 -1.40 0.00 0.00 179.01 178.85 3n8k n LEU 43 N -3.58 0.93 -1.23 1.33 4.77 -1.14 -4.98 117.00 113.09 3n8k n LEU 43 Ca -0.00 -0.27 -0.04 0.00 -0.03 0.00 0.00 56.01 55.66 3n8k n LEU 43 Cb 0.54 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.51 3n8k n LEU 43 CO 0.38 0.20 0.04 0.61 -1.33 0.00 0.00 177.39 177.29 3n8k n GLY 44 N 1.45 0.53 3.21 -0.72 0.00 -0.69 -5.02 105.19 103.95 3n8k n GLY 44 Ca 0.07 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.44 2.52 -0.10 0.99 1.43 0.73 -4.66 118.68 117.15 3n8k s LEU 45 Ca 0.07 -1.01 -0.02 0.00 -1.03 0.00 0.00 54.13 52.14 3n8k s LEU 45 Cb -0.03 -0.20 -0.03 0.00 0.03 0.00 0.00 46.19 45.95 3n8k s LEU 45 CO 0.14 -0.40 -0.01 -0.75 0.23 0.00 0.00 176.35 175.56 3n8k s LYS 46 N -3.78 3.14 -0.08 1.70 2.20 -1.20 -4.03 119.74 117.70 3n8k s LYS 46 Ca 0.14 -0.43 -0.00 0.00 -0.36 0.00 0.00 55.97 55.31 3n8k s LYS 46 Cb 0.04 -2.82 0.02 0.00 -1.51 0.00 0.00 37.83 33.56 3n8k s LYS 46 CO -0.02 0.60 -0.05 0.00 -0.36 0.00 0.00 175.35 175.52 3n8k s ALA 47 N -0.59 0.95 -0.28 3.13 0.00 -1.26 -1.53 121.76 122.18 3n8k s ALA 47 Ca 0.10 -0.27 -0.08 0.00 0.00 0.00 0.00 51.96 51.70 3n8k s ALA 47 Cb -0.12 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 3n8k s ALA 47 CO 0.02 -0.29 0.11 0.08 0.00 0.00 0.00 175.76 175.68 3n8k s VAL 48 N 1.53 4.45 -0.29 0.00 1.01 -1.19 -4.80 120.40 121.10 3n8k s VAL 48 Ca -0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 3n8k s VAL 48 Cb -0.13 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3n8k s VAL 48 CO -0.04 0.20 0.17 -0.69 0.00 0.00 0.00 175.10 174.73 3n8k s VAL 49 N 1.61 4.92 -0.03 2.92 1.01 -1.26 -1.51 120.40 128.07 3n8k s VAL 49 Ca 0.05 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.94 3n8k s VAL 49 Cb -0.16 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 3n8k s VAL 49 CO 0.05 0.17 -0.14 -0.13 0.00 0.00 0.00 175.10 175.04 3n8k s ARG 50 N 1.69 1.43 -0.02 2.72 0.52 -0.14 -5.03 118.95 120.12 3n8k s ARG 50 Ca 0.06 -0.51 0.06 0.00 -0.52 0.00 0.00 55.73 54.82 3n8k s ARG 50 Cb -0.16 -1.29 -0.01 0.00 0.52 0.00 0.00 34.95 34.00 3n8k s ARG 50 CO 0.08 0.23 -0.19 -1.14 0.02 0.00 0.00 175.30 174.30 3n8k s GLN 51 N -0.01 1.60 -0.13 3.54 -0.44 -1.26 -0.52 119.66 122.45 3n8k s GLN 51 Ca -0.01 -0.68 -0.19 0.00 -2.50 0.00 0.00 55.36 51.98 3n8k s GLN 51 Cb -0.09 -1.52 0.05 0.00 -1.64 0.00 0.00 33.01 29.80 3n8k s GLN 51 CO 0.01 0.39 0.49 0.45 0.50 0.00 0.00 175.29 177.13 3n8k s SER 52 N -0.38 -0.47 0.08 6.67 0.15 -0.92 -4.99 113.70 113.84 3n8k s SER 52 Ca 0.06 0.76 0.25 0.00 0.70 0.00 0.00 55.95 57.72 3n8k s SER 52 Cb -0.08 0.79 0.53 0.00 -1.71 0.00 0.00 66.02 65.55 3n8k s SER 52 CO -0.00 -0.31 1.45 0.47 1.20 0.00 0.00 173.24 176.05 3n8k n ASP 53 N 2.16 0.57 -4.62 5.45 8.00 -1.26 -2.52 116.55 124.32 3n8k n ASP 53 Ca -0.16 0.08 -0.41 0.00 0.71 0.00 0.00 54.79 55.01 3n8k n ASP 53 Cb 0.56 0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.64 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 -3.73 6.58 0.28 -2.24 0.15 -1.26 -4.66 113.70 108.82 3n8k s SER 54 Ca 0.09 0.69 -0.02 0.00 0.70 0.00 0.00 55.95 57.41 3n8k s SER 54 Cb 0.15 -2.34 0.43 0.00 -1.71 0.00 0.00 66.02 62.56 3n8k s SER 54 CO 0.68 -0.38 1.90 -0.08 1.20 0.00 0.00 173.24 176.56 3n8k h GLU 55 N 7.91 1.12 -0.56 5.44 4.81 -2.00 -1.86 114.58 129.44 3n8k h GLU 55 Ca -0.27 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 3n8k h GLU 55 Cb 1.12 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 3n8k h GLU 55 CO 0.78 0.74 0.27 0.00 -0.73 0.00 0.00 179.01 180.07 3n8k h ALA 56 N 1.47 1.43 -0.08 2.92 0.00 -2.00 -1.55 119.26 121.45 3n8k h ALA 56 Ca 0.41 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 3n8k h ALA 56 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3n8k h ALA 56 CO -0.15 0.46 -0.65 0.37 0.00 0.00 0.00 179.25 179.27 3n8k h GLN 57 N 0.79 0.32 -0.38 0.00 5.75 -1.77 -2.73 115.11 117.08 3n8k h GLN 57 Ca 0.20 -0.24 -0.14 0.00 -0.15 0.00 0.00 58.65 58.32 3n8k h GLN 57 Cb 0.08 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 3n8k h GLN 57 CO -0.03 0.86 -0.29 -0.07 -2.65 0.00 0.00 178.83 176.65 3n8k h LEU 58 N 0.23 0.92 -0.72 -2.39 -0.00 -1.03 -3.15 115.31 109.16 3n8k h LEU 58 Ca -0.01 -0.44 -0.08 0.00 -0.00 0.00 0.00 57.88 57.34 3n8k h LEU 58 Cb 1.19 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 41.57 3n8k h LEU 58 CO 0.11 1.17 0.05 -0.07 -0.00 0.00 0.00 178.44 179.70 3n8k h LEU 59 N 0.69 1.00 -1.32 1.67 3.38 -1.28 -2.78 115.31 116.67 3n8k h LEU 59 Ca 0.07 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3n8k h LEU 59 Cb 0.87 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3n8k h LEU 59 CO 0.08 1.02 0.01 -0.78 0.09 0.00 0.00 178.44 178.85 3n8k h ASP 60 N 0.96 0.43 0.44 -0.43 3.58 -1.53 -1.97 116.42 117.90 3n8k h ASP 60 Ca 0.18 -0.07 -0.17 0.00 0.42 0.00 0.00 57.03 57.39 3n8k h ASP 60 Cb 0.48 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 3n8k h ASP 60 CO 0.02 0.49 -0.73 -0.50 -2.88 0.00 0.00 179.24 175.64 3n8k h TRP 61 N 0.45 0.33 -0.17 0.28 6.55 -1.47 -2.90 115.95 119.01 3n8k h TRP 61 Ca 0.10 -0.15 -0.18 0.00 0.95 0.00 0.00 58.89 59.61 3n8k h TRP 61 Cb 0.29 -0.05 -0.00 0.00 -0.86 0.00 0.00 29.16 28.53 3n8k h TRP 61 CO 0.01 0.89 -0.62 0.82 -1.05 0.00 0.00 178.44 178.49 3n8k h ILE 62 N 0.16 1.32 -0.43 1.49 2.04 -1.21 -2.68 117.51 118.21 3n8k h ILE 62 Ca -0.02 -1.89 -0.07 0.00 1.00 0.00 0.00 64.86 63.88 3n8k h ILE 62 Cb 1.29 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 39.21 3n8k h ILE 62 CO 0.11 0.59 -0.01 0.45 0.00 0.00 0.00 178.15 179.29 3n8k h HIS 63 N 0.43 0.75 -0.21 1.37 3.86 -1.38 -1.79 115.15 118.19 3n8k h HIS 63 Ca -0.01 -0.10 -0.11 0.00 -1.16 0.00 0.00 60.37 58.99 3n8k h HIS 63 Cb 1.19 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 3n8k h HIS 63 CO 0.05 0.72 -0.35 1.96 0.86 0.00 0.00 177.93 181.17 3n8k h GLN 64 N 0.67 0.45 0.00 2.45 4.20 -1.45 -2.74 115.11 118.68 3n8k h GLN 64 Ca 0.13 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.52 3n8k h GLN 64 Cb 0.44 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 3n8k h GLN 64 CO 0.02 0.74 -0.56 0.00 -0.67 0.00 0.00 178.83 178.36 3n8k h ALA 65 N 1.24 0.88 -0.20 3.87 0.00 -1.21 -2.82 119.26 121.03 3n8k h ALA 65 Ca 0.04 -0.51 -0.20 0.00 0.00 0.00 0.00 54.91 54.24 3n8k h ALA 65 Cb 0.80 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.51 3n8k h ALA 65 CO 0.06 0.71 -0.66 0.00 0.00 0.00 0.00 179.25 179.36 3n8k h ALA 66 N 1.44 0.35 -0.09 0.00 0.00 -1.14 -0.88 119.26 118.93 3n8k h ALA 66 Ca -0.01 -0.56 -0.18 0.00 0.00 0.00 0.00 54.91 54.17 3n8k h ALA 66 Cb 1.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3n8k h ALA 66 CO 0.07 0.64 -0.69 -0.44 0.00 0.00 0.00 179.25 178.83 3n8k h ASP 67 N 0.54 0.49 0.29 0.00 3.32 -1.54 -3.08 116.42 116.44 3n8k h ASP 67 Ca -0.03 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3n8k h ASP 67 Cb 1.28 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3n8k h ASP 67 CO 0.14 1.03 -0.11 0.00 -1.72 0.00 0.00 179.24 178.58 3n8k n ALA 68 N -2.51 2.78 -3.83 3.45 0.00 -1.06 -4.95 120.51 114.39 3n8k n ALA 68 Ca -0.04 -0.30 -0.25 0.00 0.00 0.00 0.00 53.44 52.86 3n8k n ALA 68 Cb 0.68 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.82 -1.85 -2.75 0.00 0.00 -0.70 -4.99 120.51 109.39 3n8k n ALA 69 Ca 0.15 -0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 3n8k n ALA 69 Cb 0.28 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.32 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 -6.29 3.23 0.54 0.00 2.02 -0.42 -4.75 118.70 113.03 3n8k s GLU 70 Ca 0.15 -0.42 -0.21 0.00 0.02 0.00 0.00 54.97 54.51 3n8k s GLU 70 Cb -0.08 -2.87 -0.05 0.00 0.10 0.00 0.00 34.13 31.24 3n8k s GLU 70 CO 0.84 0.57 1.28 -2.14 0.02 0.00 0.00 175.26 175.83 3n8k s PRO 71 N -0.52 3.22 -0.06 0.39 0.02 -1.26 -4.75 135.00 132.04 3n8k s PRO 71 Ca 0.09 2.03 0.01 0.00 0.02 0.00 0.00 61.00 63.15 3n8k s PRO 71 Cb -0.12 -2.20 0.02 0.00 0.02 0.00 0.00 34.50 32.22 3n8k s PRO 71 CO 0.02 -1.06 -0.06 0.54 -0.33 0.00 0.00 177.00 176.11 3n8k s VAL 72 N -1.43 0.69 -0.23 3.83 0.11 -1.25 -1.92 120.40 120.21 3n8k s VAL 72 Ca 0.72 -0.17 -0.24 0.00 -2.93 0.00 0.00 61.98 59.35 3n8k s VAL 72 Cb -0.35 -0.72 -0.01 0.00 -1.53 0.00 0.00 36.38 33.77 3n8k s VAL 72 CO 0.41 0.28 0.79 -0.63 -3.33 0.00 0.00 175.10 172.62 3n8k s ILE 73 N 1.16 4.87 -0.18 7.04 -1.09 0.18 -2.78 121.20 130.40 3n8k s ILE 73 Ca -0.07 1.50 0.00 0.00 -2.23 0.00 0.00 60.65 59.86 3n8k s ILE 73 Cb -0.14 -4.09 0.04 0.00 -1.58 0.00 0.00 42.46 36.69 3n8k s ILE 73 CO -0.01 -0.04 -0.08 -0.22 -1.23 0.00 0.00 174.94 173.36 3n8k s LEU 74 N 2.66 1.87 -0.35 2.97 2.96 -0.77 -1.13 118.68 126.90 3n8k s LEU 74 Ca 0.34 -0.73 0.04 0.00 -0.22 0.00 0.00 54.13 53.56 3n8k s LEU 74 Cb -0.15 -1.06 0.10 0.00 0.50 0.00 0.00 46.19 45.58 3n8k s LEU 74 CO 0.08 -0.16 0.07 0.21 -1.32 0.00 0.00 176.35 175.23 3n8k s ASN 75 N 1.53 4.68 0.35 3.68 2.47 -0.89 -0.88 114.94 125.89 3n8k s ASN 75 Ca 0.00 -2.18 0.25 0.00 0.42 0.00 0.00 52.86 51.35 3n8k s ASN 75 Cb -0.15 -1.57 0.62 0.00 -1.45 0.00 0.00 41.25 38.69 3n8k s ASN 75 CO -0.08 -0.37 1.70 0.00 -3.72 0.00 0.00 177.10 174.63 3n8k h ALA 76 N 7.57 1.00 -0.31 1.71 0.00 -1.82 0.23 119.26 127.63 3n8k h ALA 76 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3n8k h ALA 76 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3n8k h ALA 76 CO 0.53 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.19 3n8k n GLY 77 N 1.05 2.82 0.19 0.00 0.00 -1.26 -3.05 105.19 104.94 3n8k n GLY 77 Ca 0.04 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.95 -3.09 103.07 100.01 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 1.04 0.00 0.00 0.00 176.54 177.58 3n8k n LEU 79 N -3.53 0.28 -0.14 3.11 4.77 -1.17 -3.55 117.00 116.78 3n8k n LEU 79 Ca -0.00 0.55 -0.04 0.00 -0.03 0.00 0.00 56.01 56.48 3n8k n LEU 79 Cb 0.51 -0.48 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3n8k n LEU 79 CO 0.37 -0.23 0.95 0.74 -1.33 0.00 0.00 177.39 177.89 3n8k h THR 80 N 0.00 0.86 -0.56 -5.08 2.02 -1.72 -1.84 112.91 106.58 3n8k h THR 80 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3n8k h THR 80 Cb 0.43 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3n8k h THR 80 CO 0.00 0.06 0.00 1.41 0.37 0.00 0.00 175.52 177.36 3n8k n HIS 81 N -5.01 0.74 0.00 3.16 8.25 -1.23 -2.77 115.22 118.36 3n8k n HIS 81 Ca 0.04 -0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 3n8k n HIS 81 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 1.54 0.00 -3.36 1.59 -2.24 -1.15 -4.87 114.28 105.79 3n8k n THR 82 Ca 0.22 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.58 3n8k n THR 82 Cb 0.61 -0.50 -0.09 0.00 -2.10 0.00 0.00 70.33 68.24 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 -2.89 6.20 0.11 3.42 0.15 -0.70 -4.90 113.70 115.09 3n8k s SER 83 Ca 0.00 -0.38 0.07 0.00 0.70 0.00 0.00 55.95 56.34 3n8k s SER 83 Cb 0.00 -2.21 -0.21 0.00 -1.71 0.00 0.00 66.02 61.88 3n8k s SER 83 CO 0.00 -0.44 1.26 0.58 1.20 0.00 0.00 173.24 175.84 3n8k h VAL 84 N 5.61 1.69 -0.77 4.45 2.07 -1.95 -3.22 116.25 124.13 3n8k h VAL 84 Ca -0.28 -3.40 0.03 0.00 0.82 0.00 0.00 66.70 63.87 3n8k h VAL 84 Cb 1.13 2.84 -0.04 0.00 -1.52 0.00 0.00 31.29 33.70 3n8k h VAL 84 CO 0.74 0.96 0.51 0.00 0.02 0.00 0.00 177.57 179.80 3n8k h ALA 85 N 0.98 1.52 -0.28 1.67 0.00 -1.98 0.14 119.26 121.31 3n8k h ALA 85 Ca -0.02 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3n8k h ALA 85 Cb 1.78 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3n8k h ALA 85 CO 0.13 0.41 -0.48 1.25 0.00 0.00 0.00 179.25 180.56 3n8k h LEU 86 N 0.96 0.83 -0.73 0.00 5.85 -1.94 -2.75 115.31 117.53 3n8k h LEU 86 Ca 0.30 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 3n8k h LEU 86 Cb 0.01 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3n8k h LEU 86 CO -0.08 1.17 0.28 -0.09 -0.34 0.00 0.00 178.44 179.38 3n8k h ARG 87 N 0.60 1.10 -0.49 1.25 2.43 -1.34 -2.42 114.38 115.51 3n8k h ARG 87 Ca 0.03 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 3n8k h ARG 87 Cb 1.06 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 3n8k h ARG 87 CO 0.10 0.91 0.07 -0.44 -1.51 0.00 0.00 179.97 179.10 3n8k h ASP 88 N 1.05 0.73 -0.23 -3.80 3.32 -0.71 -1.77 116.42 115.01 3n8k h ASP 88 Ca 0.24 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 3n8k h ASP 88 Cb 0.23 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3n8k h ASP 88 CO -0.02 0.76 -0.32 0.00 -1.72 0.00 0.00 179.24 177.95 3n8k h ALA 89 N 1.33 0.80 0.00 3.45 0.00 -1.36 -2.97 119.26 120.51 3n8k h ALA 89 Ca 0.16 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3n8k h ALA 89 Cb 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3n8k h ALA 89 CO 0.01 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3n8k h ALA 91 N 2.21 1.01 0.00 0.00 0.00 -1.16 -3.01 119.26 118.31 3n8k h ALA 91 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3n8k h ALA 91 Cb 0.61 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3n8k h ALA 91 CO 0.00 0.12 -0.16 0.93 0.00 0.00 0.00 179.25 180.14 3n8k h GLU 92 N 0.00 0.00 -6.46 0.00 5.08 -1.65 -3.46 114.58 108.09 3n8k h GLU 92 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3n8k h GLU 92 Cb 0.63 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.91 3n8k h GLU 92 CO 0.01 0.16 0.97 -0.51 -1.00 0.00 0.00 179.01 178.64 3n8k s LEU 93 N -6.49 4.36 -0.08 1.33 1.43 -1.14 -4.91 118.68 113.19 3n8k s LEU 93 Ca 0.02 2.47 0.08 0.00 -1.03 0.00 0.00 54.13 55.67 3n8k s LEU 93 Cb 0.09 -3.57 -0.24 0.00 0.03 0.00 0.00 46.19 42.50 3n8k s LEU 93 CO 0.63 -0.87 0.50 -1.54 0.23 0.00 0.00 176.35 175.31 3n8k n SER 94 N 5.42 1.17 -4.80 2.29 3.41 -1.26 -4.92 113.62 114.93 3n8k n SER 94 Ca 0.15 0.31 -0.33 0.00 -0.26 0.00 0.00 58.87 58.74 3n8k n SER 94 Cb 0.41 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.58 2.79 0.16 7.33 0.00 -1.26 -4.97 121.76 123.23 3n8k s ALA 95 Ca -0.11 0.52 -0.32 0.00 0.00 0.00 0.00 51.96 52.05 3n8k s ALA 95 Cb 0.07 -3.25 -0.12 0.00 0.00 0.00 0.00 23.12 19.82 3n8k s ALA 95 CO 0.80 -0.61 1.75 -0.35 0.00 0.00 0.00 175.76 177.35 3n8k n PRO 96 N -1.54 2.65 -3.99 0.00 -0.04 -1.26 -4.88 135.00 125.94 3n8k n PRO 96 Ca 0.09 0.96 -0.35 0.00 -0.04 0.00 0.00 63.50 64.16 3n8k n PRO 96 Cb 0.53 -2.81 -0.10 0.00 -0.04 0.00 0.00 33.50 31.07 3n8k n PRO 96 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3n8k s LEU 97 N 1.80 3.77 -0.14 1.53 2.96 -1.26 -3.81 118.68 123.53 3n8k s LEU 97 Ca 0.79 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.76 3n8k s LEU 97 Cb -0.53 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.21 3n8k s LEU 97 CO 0.36 0.15 -0.18 -0.51 -1.32 0.00 0.00 176.35 174.85 3n8k s ILE 98 N 0.50 1.79 -0.13 6.68 -1.16 -1.12 -1.41 121.20 126.34 3n8k s ILE 98 Ca 0.03 -0.80 -0.16 0.00 -0.51 0.00 0.00 60.65 59.21 3n8k s ILE 98 Cb -0.13 -1.62 -0.04 0.00 0.61 0.00 0.00 42.46 41.28 3n8k s ILE 98 CO 0.01 0.50 0.41 -0.70 -2.81 0.00 0.00 174.94 172.34 3n8k s GLU 99 N 1.12 4.30 -0.03 3.50 2.12 -0.54 -1.84 118.70 127.33 3n8k s GLU 99 Ca -0.02 0.32 0.08 0.00 0.36 0.00 0.00 54.97 55.71 3n8k s GLU 99 Cb -0.14 -3.43 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 3n8k s GLU 99 CO -0.06 0.19 -0.26 0.08 -0.54 0.00 0.00 175.26 174.68 3n8k s VAL 100 N 0.54 2.05 -0.02 3.70 1.01 -0.06 0.15 120.40 127.77 3n8k s VAL 100 Ca 0.22 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.11 3n8k s VAL 100 Cb -0.14 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.56 3n8k s VAL 100 CO 0.08 0.58 -0.00 -1.00 0.00 0.00 0.00 175.10 174.75 3n8k s HIS 101 N -0.54 0.29 0.02 5.22 3.76 0.00 -4.17 115.29 119.87 3n8k s HIS 101 Ca 0.08 0.00 -0.26 0.00 -0.15 0.00 0.00 55.06 54.73 3n8k s HIS 101 Cb -0.11 -0.36 -0.17 0.00 1.11 0.00 0.00 32.58 33.06 3n8k s HIS 101 CO -0.00 -0.11 1.32 0.82 -0.85 0.00 0.00 174.74 175.92 3n8k h ILE 102 N 6.09 0.63 -3.31 0.60 1.08 -1.88 -1.95 117.51 118.76 3n8k h ILE 102 Ca -0.41 -0.45 -0.49 0.00 -0.39 0.00 0.00 64.86 63.12 3n8k h ILE 102 Cb 1.14 0.85 0.02 0.00 -3.07 0.00 0.00 36.82 35.76 3n8k h ILE 102 CO 0.48 0.08 -0.00 -0.94 -0.69 0.00 0.00 178.15 177.08 3n8k s SER 103 N -4.95 6.30 -0.70 1.72 1.04 -1.26 -1.81 113.70 114.05 3n8k s SER 103 Ca -0.15 0.78 -0.27 0.00 0.48 0.00 0.00 55.95 56.79 3n8k s SER 103 Cb 0.03 -2.18 0.02 0.00 0.10 0.00 0.00 66.02 63.98 3n8k s SER 103 CO 0.56 -0.45 1.44 0.21 0.98 0.00 0.00 173.24 175.98 3n8k s ASN 104 N -3.94 5.91 0.56 7.02 3.84 -1.26 -2.98 114.94 124.09 3n8k s ASN 104 Ca 0.45 -0.21 0.35 0.00 0.21 0.00 0.00 52.86 53.65 3n8k s ASN 104 Cb -0.10 -2.55 1.56 0.00 -0.55 0.00 0.00 41.25 39.61 3n8k s ASN 104 CO 0.40 -1.99 2.06 -0.37 -2.79 0.00 0.00 177.10 174.42 3n8k h VAL 105 N 6.28 0.11 0.00 -5.21 -1.51 -1.93 -2.38 116.25 111.61 3n8k h VAL 105 Ca -0.27 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 3n8k h VAL 105 Cb 1.08 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 3n8k h VAL 105 CO 1.26 0.03 -0.09 1.41 -1.23 0.00 0.00 177.57 178.95 3n8k n HIS 106 N -3.17 0.87 1.03 5.19 8.25 -1.26 -3.16 115.22 122.97 3n8k n HIS 106 Ca -0.00 0.25 0.12 0.00 -0.26 0.00 0.00 57.72 57.83 3n8k n HIS 106 Cb 0.26 -0.90 0.20 0.00 1.12 0.00 0.00 29.99 30.67 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 -1.79 2.48 -2.31 -1.41 0.00 -0.90 -4.94 120.51 111.64 3n8k n ALA 107 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3n8k n ALA 107 Cb 0.43 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 1.12 3.37 -0.98 0.00 1.74 -1.19 -5.09 116.66 115.63 3n8k n ARG 108 Ca 0.16 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.93 3n8k n ARG 108 Cb 0.55 0.00 0.14 0.00 -1.02 0.00 0.00 32.46 32.13 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 4.40 1.30 0.32 5.56 8.01 -1.26 -4.95 118.70 132.07 3n8k s GLU 109 Ca 0.00 1.21 0.05 0.00 0.01 0.00 0.00 54.97 56.23 3n8k s GLU 109 Cb 0.00 -1.78 0.54 0.00 -4.31 0.00 0.00 34.13 28.57 3n8k s GLU 109 CO 0.00 -2.33 1.79 0.93 0.01 0.00 0.00 175.26 175.67 3n8k h GLU 110 N -1.63 0.41 0.00 1.61 4.39 -1.96 -3.01 114.58 114.39 3n8k h GLU 110 Ca -0.46 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.11 3n8k h GLU 110 Cb 1.26 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3n8k h GLU 110 CO 0.48 0.59 0.00 1.97 -1.16 0.00 0.00 179.01 180.89 3n8k n PHE 111 N -4.18 0.55 1.17 4.33 1.16 -1.26 -2.35 117.46 116.88 3n8k n PHE 111 Ca -0.00 0.21 0.13 0.00 -1.87 0.00 0.00 57.45 55.91 3n8k n PHE 111 Cb 0.35 -0.83 0.36 0.00 -1.61 0.00 0.00 39.48 37.75 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 -1.99 0.52 -0.02 3.97 1.74 -1.14 -4.07 116.66 115.67 3n8k n ARG 112 Ca 0.03 -0.29 0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3n8k n ARG 112 Cb 0.24 -1.49 0.53 0.00 -1.02 0.00 0.00 32.46 30.72 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 -0.99 1.58 -3.17 5.56 1.74 -0.99 -4.50 116.66 115.89 3n8k n ARG 113 Ca 0.10 -0.85 -0.24 0.00 -0.77 0.00 0.00 57.85 56.09 3n8k n ARG 113 Cb 0.34 -1.45 -0.05 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 0.04 2.22 -1.90 -1.55 8.25 -1.26 -5.03 115.22 115.99 3n8k n HIS 114 Ca 0.19 -3.92 -0.42 0.00 -0.26 0.00 0.00 57.72 53.31 3n8k n HIS 114 Cb 0.31 -0.47 -0.02 0.00 1.12 0.00 0.00 29.99 30.93 3n8k n HIS 114 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3n8k s SER 115 N -2.54 6.53 0.39 0.41 0.15 -1.26 -4.80 113.70 112.58 3n8k s SER 115 Ca 0.42 2.75 0.21 0.00 0.70 0.00 0.00 55.95 60.03 3n8k s SER 115 Cb 0.24 -2.62 0.35 0.00 -1.71 0.00 0.00 66.02 62.28 3n8k s SER 115 CO -0.09 -0.82 1.59 1.88 1.20 0.00 0.00 173.24 177.01 3n8k h TYR 116 N 5.56 0.00 0.00 3.44 0.05 -1.85 -3.32 116.97 120.85 3n8k h TYR 116 Ca -0.45 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.20 3n8k h TYR 116 Cb 1.21 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.93 3n8k h TYR 116 CO 0.61 0.21 -0.88 -0.07 -1.05 0.00 0.00 178.16 176.97 3n8k h LEU 117 N 0.00 0.00 -0.58 3.88 3.38 -1.91 -3.38 115.31 116.70 3n8k h LEU 117 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3n8k h LEU 117 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3n8k h LEU 117 CO 0.03 0.52 0.16 0.28 0.09 0.00 0.00 178.44 179.52 3n8k h SER 118 N 0.00 0.86 0.27 -0.43 0.02 -1.94 -2.29 113.55 110.05 3n8k h SER 118 Ca -0.07 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 3n8k h SER 118 Cb 1.45 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 3n8k h SER 118 CO 0.06 0.86 -0.16 -0.65 -1.14 0.00 0.00 176.83 175.79 3n8k h PRO 119 N 0.83 0.00 0.00 3.45 0.11 -1.77 -3.08 132.00 131.54 3n8k h PRO 119 Ca 0.18 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 3n8k h PRO 119 Cb 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 3n8k h PRO 119 CO -0.00 0.16 -1.81 0.44 -0.21 0.00 0.00 178.00 176.58 3n8k n ILE 120 N -3.97 0.29 -2.26 4.15 -6.64 -1.19 -4.96 119.36 104.79 3n8k n ILE 120 Ca -0.02 -0.55 -0.34 0.00 -1.77 0.00 0.00 62.75 60.07 3n8k n ILE 120 Cb 0.25 -0.14 -0.00 0.00 -1.44 0.00 0.00 39.64 38.30 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 -3.38 2.74 0.17 -1.28 0.00 -0.87 -4.96 121.76 114.19 3n8k s ALA 121 Ca -0.06 0.62 -0.05 0.00 0.00 0.00 0.00 51.96 52.46 3n8k s ALA 121 Cb 0.12 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.99 3n8k s ALA 121 CO 0.88 -0.67 1.46 1.79 0.00 0.00 0.00 175.76 179.21 3n8k h THR 122 N 1.03 1.32 -3.35 0.00 1.35 -1.54 -3.47 112.91 108.24 3n8k h THR 122 Ca -0.49 -1.85 -0.06 0.00 -0.55 0.00 0.00 66.41 63.46 3n8k h THR 122 Cb 1.24 1.81 -0.14 0.00 -1.73 0.00 0.00 68.15 69.33 3n8k h THR 122 CO 0.57 0.58 -0.09 -0.83 -0.25 0.00 0.00 175.52 175.50 3n8k s GLY 123 N -4.12 -0.26 -0.02 5.82 0.00 -1.11 -5.04 107.32 102.59 3n8k s GLY 123 Ca -0.08 -0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.64 3n8k s GLY 123 CO 0.86 -0.27 -0.04 0.14 0.00 0.00 0.00 173.10 173.79 3n8k s VAL 124 N -3.60 0.38 -0.13 1.40 1.01 -1.26 -1.46 120.40 116.74 3n8k s VAL 124 Ca 0.02 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3n8k s VAL 124 Cb 0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 36.02 3n8k s VAL 124 CO -0.11 0.15 -0.18 -0.63 0.00 0.00 0.00 175.10 174.33 3n8k s ILE 125 N 0.42 2.50 -0.01 2.22 1.01 0.12 -4.95 121.20 122.50 3n8k s ILE 125 Ca -0.05 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3n8k s ILE 125 Cb -0.08 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.39 3n8k s ILE 125 CO -0.00 0.54 0.00 -0.69 0.00 0.00 0.00 174.94 174.79 3n8k s VAL 126 N 0.50 0.08 0.00 2.92 1.01 -1.26 -0.82 120.40 122.83 3n8k s VAL 126 Ca -0.12 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3n8k s VAL 126 Cb -0.17 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.08 3n8k s VAL 126 CO 0.05 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3n8k n GLY 127 N 3.68 0.75 2.12 4.51 0.00 -0.73 -4.81 105.19 110.71 3n8k n GLY 127 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 6.51 0.00 0.99 4.77 -1.23 -4.61 117.00 123.42 3n8k n LEU 128 Ca 0.00 -3.48 0.00 0.00 -0.03 0.00 0.00 56.01 52.50 3n8k n LEU 128 Cb 0.00 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 3n8k n LEU 128 CO 0.00 1.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 3n8k n GLY 129 N -0.94 0.99 0.17 -0.72 0.00 -0.75 -3.10 105.19 100.85 3n8k n GLY 129 Ca 0.54 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.00 -0.61 6.09 -1.86 -2.61 117.51 118.53 3n8k h ILE 130 Ca 0.00 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 3n8k h ILE 130 Cb 0.00 1.05 0.00 0.00 0.47 0.00 0.00 36.82 38.34 3n8k h ILE 130 CO 0.00 0.00 0.00 1.67 -3.07 0.00 0.00 178.15 176.75 3n8k n GLN 131 N -2.46 0.24 -0.25 2.19 7.27 -1.18 -3.70 117.38 119.49 3n8k n GLN 131 Ca 0.01 0.03 0.02 0.00 0.07 0.00 0.00 57.00 57.13 3n8k n GLN 131 Cb 0.22 -1.50 0.24 0.00 2.41 0.00 0.00 30.24 31.61 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 4.60 1.14 1.07 1.69 0.00 -1.42 -2.16 103.07 107.99 3n8k h GLY 132 Ca 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 3n8k h GLY 132 CO 0.00 0.37 -0.02 -0.97 0.00 0.00 0.00 176.54 175.92 3n8k h TYR 133 N 1.03 1.13 -0.07 5.60 -1.99 -1.82 -2.70 116.97 118.16 3n8k h TYR 133 Ca 0.31 -0.20 -0.14 0.00 2.00 0.00 0.00 58.73 60.70 3n8k h TYR 133 Cb -0.02 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 38.41 3n8k h TYR 133 CO -0.00 1.01 -0.58 -0.07 -0.00 0.00 0.00 178.16 178.52 3n8k h LEU 134 N 0.92 0.25 -0.44 3.88 3.38 -1.66 -2.71 115.31 118.93 3n8k h LEU 134 Ca 0.16 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3n8k h LEU 134 Cb 0.57 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3n8k h LEU 134 CO 0.03 0.78 -0.71 -0.07 0.09 0.00 0.00 178.44 178.56 3n8k h LEU 135 N 0.17 0.00 -0.86 1.67 3.38 -1.43 -3.12 115.31 115.11 3n8k h LEU 135 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3n8k h LEU 135 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3n8k h LEU 135 CO 0.09 0.71 -0.40 0.00 0.09 0.00 0.00 178.44 178.93 3n8k h ALA 136 N 1.29 1.03 -0.29 1.53 0.00 -1.28 -3.01 119.26 118.53 3n8k h ALA 136 Ca -0.01 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 3n8k h ALA 136 Cb 1.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3n8k h ALA 136 CO 0.09 0.61 -0.30 -0.07 0.00 0.00 0.00 179.25 179.58 3n8k h LEU 137 N 0.29 0.62 -0.95 0.00 3.38 -1.46 -3.19 115.31 113.99 3n8k h LEU 137 Ca 0.03 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 3n8k h LEU 137 Cb 0.84 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3n8k h LEU 137 CO 0.07 0.89 -0.38 -0.09 0.09 0.00 0.00 178.44 179.01 3n8k h ARG 138 N 0.52 0.28 -0.32 1.13 2.43 -1.47 -2.04 114.38 114.91 3n8k h ARG 138 Ca 0.06 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 3n8k h ARG 138 Cb 0.77 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3n8k h ARG 138 CO 0.06 0.63 0.03 -0.92 -1.51 0.00 0.00 179.97 178.26 3n8k h TYR 139 N 0.24 0.58 -0.08 2.20 3.20 -1.53 -2.65 116.97 118.92 3n8k h TYR 139 Ca 0.02 -0.09 -0.10 0.00 3.14 0.00 0.00 58.73 61.71 3n8k h TYR 139 Cb 0.79 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3n8k h TYR 139 CO 0.02 0.64 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.71 3n8k h LEU 140 N 0.35 0.18 -0.64 2.82 3.38 -1.51 -1.22 115.31 118.68 3n8k h LEU 140 Ca 0.09 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3n8k h LEU 140 Cb 0.39 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3n8k h LEU 140 CO 0.01 0.57 -0.54 0.00 0.09 0.00 0.00 178.44 178.57 3n8k h ALA 141 N 1.44 0.82 0.06 1.53 0.00 -1.36 -3.25 119.26 118.51 3n8k h ALA 141 Ca 0.01 -0.51 -0.23 0.00 0.00 0.00 0.00 54.91 54.19 3n8k h ALA 141 Cb 0.77 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.50 3n8k h ALA 141 CO 0.06 0.69 -0.92 1.49 0.00 0.00 0.00 179.25 180.56 3n8k h GLU 142 N 0.30 0.53 -0.03 0.00 4.57 -1.24 -3.52 114.58 115.19 3n8k h GLU 142 Ca 0.01 -0.64 0.00 0.00 -1.18 0.00 0.00 59.36 57.54 3n8k h GLU 142 Cb 1.05 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 3n8k h GLU 142 CO 0.09 1.26 0.00 0.72 -1.18 0.00 0.00 179.01 179.90