#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n8k s LEU 3 N 0.00 4.33 -0.13 0.00 1.43 -1.26 -4.99 118.68 118.06 3n8k s LEU 3 Ca 0.00 -0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 3n8k s LEU 3 Cb 0.00 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 3n8k s LEU 3 CO 0.00 -1.26 0.25 -0.63 0.23 0.00 0.00 176.35 174.93 3n8k s ILE 4 N 3.81 5.33 -0.10 -0.59 1.01 -1.26 -1.00 121.20 128.40 3n8k s ILE 4 Ca 0.25 0.45 0.04 0.00 0.00 0.00 0.00 60.65 61.39 3n8k s ILE 4 Cb -0.15 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.77 3n8k s ILE 4 CO 0.15 0.50 -0.22 -0.69 0.00 0.00 0.00 174.94 174.67 3n8k s VAL 5 N -0.27 1.94 -0.31 2.92 1.01 0.06 -4.03 120.40 121.73 3n8k s VAL 5 Ca 0.16 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 61.02 3n8k s VAL 5 Cb -0.13 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 3n8k s VAL 5 CO 0.05 0.53 0.50 0.20 0.00 0.00 0.00 175.10 176.38 3n8k s ASN 6 N 0.44 6.34 -0.35 3.32 0.01 -0.52 -0.44 114.94 123.74 3n8k s ASN 6 Ca -0.17 0.19 -0.12 0.00 -0.71 0.00 0.00 52.86 52.05 3n8k s ASN 6 Cb -0.17 -2.26 0.00 0.00 0.41 0.00 0.00 41.25 39.22 3n8k s ASN 6 CO 0.07 -0.38 0.23 -0.69 -1.51 0.00 0.00 177.10 174.82 3n8k s VAL 7 N 2.33 5.03 -0.20 1.60 1.01 0.35 -0.02 120.40 130.50 3n8k s VAL 7 Ca 0.19 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3n8k s VAL 7 Cb -0.16 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.58 3n8k s VAL 7 CO 0.12 -0.10 -0.16 -0.63 0.00 0.00 0.00 175.10 174.33 3n8k s ILE 8 N 1.66 2.34 -0.09 2.22 1.01 0.49 -0.36 121.20 128.46 3n8k s ILE 8 Ca 0.05 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 3n8k s ILE 8 Cb -0.18 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 3n8k s ILE 8 CO 0.09 0.46 -0.02 0.20 0.00 0.00 0.00 174.94 175.67 3n8k s ASN 9 N 1.31 5.06 0.09 3.58 0.01 0.76 -1.31 114.94 124.45 3n8k s ASN 9 Ca 0.04 0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 3n8k s ASN 9 Cb -0.14 -1.46 0.00 0.00 0.41 0.00 0.00 41.25 40.06 3n8k s ASN 9 CO -0.10 0.34 0.00 0.61 -1.51 0.00 0.00 177.10 176.44 3n8k n GLY 10 N 2.39 1.20 3.59 0.66 0.00 0.18 -1.76 105.19 111.46 3n8k n GLY 10 Ca -0.18 -1.96 -0.45 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.36 1.32 -0.63 1.61 -0.02 -1.10 -2.64 135.00 133.18 3n8k n PRO 11 Ca 0.00 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3n8k n PRO 11 Cb 0.00 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 1.41 0.00 0.16 2.55 3.02 -1.26 -4.37 115.26 116.78 3n8k n ASN 12 Ca 0.11 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.78 3n8k n ASN 12 Cb 0.31 -0.80 0.24 0.00 -0.61 0.00 0.00 39.78 38.92 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 -0.24 3.41 3.38 -1.87 -2.60 115.31 117.39 3n8k h LEU 13 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3n8k h LEU 13 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3n8k h LEU 13 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 3n8k n GLY 14 N 1.19 -1.14 0.63 0.83 0.00 -1.26 -2.93 105.19 102.51 3n8k n GLY 14 Ca 0.04 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.77 1.87 -1.62 1.61 5.12 -0.98 -4.66 116.66 116.23 3n8k n ARG 15 Ca 0.03 -1.27 -0.44 0.00 -1.93 0.00 0.00 57.85 54.25 3n8k n ARG 15 Cb 0.21 -1.46 -0.01 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 0.53 2.31 0.00 0.55 4.77 -1.15 -2.43 117.00 121.58 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 0.42 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 3n8k n LEU 16 CO 0.16 -1.19 0.00 0.61 -1.33 0.00 0.00 177.39 175.63 3n8k n GLY 17 N 1.11 2.80 0.08 -0.72 0.00 -1.10 -3.57 105.19 103.79 3n8k n GLY 17 Ca 0.08 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 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 0.63 -2.35 1.61 1.85 -1.19 -4.63 116.66 112.57 3n8k n ARG 18 Ca 0.00 0.29 -0.43 0.00 -1.00 0.00 0.00 57.85 56.72 3n8k n ARG 18 Cb 0.00 -1.80 -0.02 0.00 -1.05 0.00 0.00 32.46 29.59 3n8k n ARG 18 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3n8k s ARG 19 N -2.63 4.26 -0.19 2.89 3.52 -1.02 -4.40 118.95 121.39 3n8k s ARG 19 Ca -0.04 1.77 -0.00 0.00 -0.13 0.00 0.00 55.73 57.32 3n8k s ARG 19 Cb 0.08 -3.72 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 3n8k s ARG 19 CO 0.82 -0.65 0.14 0.39 -0.81 0.00 0.00 175.30 175.19 3n8k n GLU 20 N 6.22 -0.36 0.16 5.12 1.02 -1.26 -4.54 120.64 127.00 3n8k n GLU 20 Ca 0.14 0.18 0.08 0.00 -0.02 0.00 0.00 57.16 57.53 3n8k n GLU 20 Cb 0.45 -0.50 0.58 0.00 -0.02 0.00 0.00 31.44 31.94 3n8k n GLU 20 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3n8k h PRO 21 N 0.69 0.16 0.00 3.49 0.13 -1.78 0.39 132.00 135.07 3n8k h PRO 21 Ca -0.15 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 3n8k h PRO 21 Cb 0.32 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.41 3n8k h PRO 21 CO 0.08 0.10 -0.10 0.00 -0.23 0.00 0.00 178.00 177.86 3n8k h ALA 22 N 1.91 1.08 0.03 -0.56 0.00 -1.87 0.51 119.26 120.36 3n8k h ALA 22 Ca 0.06 -0.09 -0.38 0.00 0.00 0.00 0.00 54.91 54.50 3n8k h ALA 22 Cb 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3n8k h ALA 22 CO -0.01 0.12 -2.21 0.28 0.00 0.00 0.00 179.25 177.43 3n8k n VAL 23 N -3.32 1.58 0.36 0.00 0.31 -0.04 -4.72 118.33 112.50 3n8k n VAL 23 Ca -0.01 -0.48 0.04 0.00 -0.01 0.00 0.00 64.34 63.88 3n8k n VAL 23 Cb 0.30 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 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 -3.68 0.00 0.00 3.52 4.02 -0.23 -4.48 117.16 116.31 3n8k n TYR 24 Ca -0.42 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.47 3n8k n TYR 24 Cb 0.94 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.26 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 0.79 -0.61 0.99 2.72 0.00 0.17 -4.74 105.19 104.51 3n8k n GLY 25 Ca 0.03 -1.74 0.11 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.65 1.38 3.70 -0.02 0.00 -1.26 -4.06 105.19 104.28 3n8k n GLY 26 Ca 0.00 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.51 4.49 0.78 2.61 2.01 -1.26 -4.52 115.64 118.24 3n8k s THR 27 Ca 0.32 1.79 -0.11 0.00 0.31 0.00 0.00 61.69 64.00 3n8k s THR 27 Cb 0.20 -4.15 0.06 0.00 0.01 0.00 0.00 72.50 68.62 3n8k s THR 27 CO 0.28 0.07 1.09 0.42 -0.69 0.00 0.00 174.62 175.79 3n8k s THR 28 N 1.58 3.22 0.23 -0.82 -4.23 -1.26 -2.72 115.64 111.64 3n8k s THR 28 Ca 0.54 0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 61.41 3n8k s THR 28 Cb -0.23 -3.17 0.06 0.00 1.34 0.00 0.00 72.50 70.50 3n8k s THR 28 CO 0.24 -0.52 1.67 -0.74 -0.54 0.00 0.00 174.62 174.73 3n8k h HIS 29 N -1.00 0.88 -0.52 3.99 2.76 -1.81 -0.74 115.15 118.71 3n8k h HIS 29 Ca -0.46 -0.17 0.02 0.00 -2.20 0.00 0.00 60.37 57.55 3n8k h HIS 29 Cb 1.26 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.97 3n8k h HIS 29 CO 0.49 0.88 0.32 -0.44 -1.30 0.00 0.00 177.93 177.88 3n8k h ASP 30 N 0.71 0.52 -0.32 3.26 3.32 -1.92 0.78 116.42 122.78 3n8k h ASP 30 Ca 0.11 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3n8k h ASP 30 Cb 0.64 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3n8k h ASP 30 CO 0.04 0.37 0.02 -0.33 -1.72 0.00 0.00 179.24 177.63 3n8k h GLU 31 N 0.64 0.65 -0.30 3.56 5.08 -1.89 -2.48 114.58 119.84 3n8k h GLU 31 Ca 0.20 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3n8k h GLU 31 Cb -0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3n8k h GLU 31 CO -0.08 0.66 0.04 1.25 -1.00 0.00 0.00 179.01 179.87 3n8k h LEU 32 N 0.62 0.49 -0.05 1.33 5.85 -0.48 -1.58 115.31 121.49 3n8k h LEU 32 Ca 0.13 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3n8k h LEU 32 Cb 0.36 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3n8k h LEU 32 CO 0.01 0.64 -0.15 0.58 -0.34 0.00 0.00 178.44 179.18 3n8k h VAL 33 N 0.33 0.63 -0.89 1.05 2.07 -0.72 -0.84 116.25 117.88 3n8k h VAL 33 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 3n8k h VAL 33 Cb 0.36 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3n8k h VAL 33 CO 0.01 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.18 3n8k h ALA 34 N 0.77 1.13 -0.50 1.67 0.00 -1.43 -1.81 119.26 119.09 3n8k h ALA 34 Ca 0.07 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3n8k h ALA 34 Cb 0.31 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3n8k h ALA 34 CO -0.18 0.55 0.13 1.25 0.00 0.00 0.00 179.25 181.00 3n8k h LEU 35 N 1.21 0.76 -0.46 0.00 6.46 -0.96 -2.32 115.31 120.00 3n8k h LEU 35 Ca 0.33 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.83 3n8k h LEU 35 Cb -0.13 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.58 3n8k h LEU 35 CO -0.07 0.79 0.17 0.40 -0.62 0.00 0.00 178.44 179.11 3n8k h ILE 36 N 0.69 1.21 -0.77 4.05 2.04 -0.85 -2.33 117.51 121.56 3n8k h ILE 36 Ca 0.16 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3n8k h ILE 36 Cb 0.32 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3n8k h ILE 36 CO -0.00 0.25 0.42 -0.33 0.00 0.00 0.00 178.15 178.48 3n8k h GLU 37 N 0.60 1.07 -0.19 2.37 5.08 -1.23 -0.83 114.58 121.46 3n8k h GLU 37 Ca 0.15 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3n8k h GLU 37 Cb 0.21 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3n8k h GLU 37 CO -0.01 0.80 0.03 0.00 -1.00 0.00 0.00 179.01 178.82 3n8k h ARG 38 N 1.06 0.31 -0.64 2.33 3.08 -1.34 -2.04 114.38 117.14 3n8k h ARG 38 Ca 0.27 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 3n8k h ARG 38 Cb 0.04 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3n8k h ARG 38 CO -0.04 0.48 0.31 1.49 -1.07 0.00 0.00 179.97 181.14 3n8k h GLU 39 N 0.10 0.93 -0.37 0.04 4.57 -1.30 -2.25 114.58 116.30 3n8k h GLU 39 Ca 0.06 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 3n8k h GLU 39 Cb 0.32 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 3n8k h GLU 39 CO 0.00 0.74 0.20 0.00 -1.18 0.00 0.00 179.01 178.77 3n8k h ALA 40 N 1.14 0.47 -0.26 2.92 0.00 -1.11 -2.22 119.26 120.20 3n8k h ALA 40 Ca 0.22 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3n8k h ALA 40 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3n8k h ALA 40 CO -0.03 0.01 0.01 0.00 0.00 0.00 0.00 179.25 179.24 3n8k h ALA 41 N 1.06 1.52 0.00 0.00 0.00 -1.24 0.33 119.26 120.93 3n8k h ALA 41 Ca 0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3n8k h ALA 41 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3n8k h ALA 41 CO -0.02 0.35 -0.35 0.93 0.00 0.00 0.00 179.25 180.16 3n8k h GLU 42 N 0.38 0.00 -0.02 0.00 5.08 -1.10 -2.88 114.58 116.06 3n8k h GLU 42 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3n8k h GLU 42 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3n8k h GLU 42 CO 0.01 0.35 -0.05 1.28 -1.00 0.00 0.00 179.01 179.60 3n8k n LEU 43 N -3.96 1.57 -0.04 1.33 4.77 -0.56 -4.93 117.00 115.18 3n8k n LEU 43 Ca -0.02 -0.51 -0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3n8k n LEU 43 Cb 0.40 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3n8k n LEU 43 CO 0.38 0.27 -0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3n8k n GLY 44 N 1.22 0.38 3.53 -0.72 0.00 -0.75 -4.95 105.19 103.89 3n8k n GLY 44 Ca 0.17 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.10 2.79 -0.32 0.99 1.43 0.10 -4.64 118.68 118.94 3n8k s LEU 45 Ca 0.00 -0.85 -0.03 0.00 -1.03 0.00 0.00 54.13 52.22 3n8k s LEU 45 Cb 0.00 -1.35 0.05 0.00 0.03 0.00 0.00 46.19 44.92 3n8k s LEU 45 CO 0.00 0.05 0.04 -0.75 0.23 0.00 0.00 176.35 175.91 3n8k s LYS 46 N -3.36 2.46 -0.15 1.70 2.20 -0.17 -2.91 119.74 119.51 3n8k s LYS 46 Ca 0.29 -1.27 -0.20 0.00 -0.36 0.00 0.00 55.97 54.42 3n8k s LYS 46 Cb -0.06 -3.27 -0.03 0.00 -1.51 0.00 0.00 37.83 32.95 3n8k s LYS 46 CO 0.16 -0.65 0.60 0.00 -0.36 0.00 0.00 175.35 175.09 3n8k s ALA 47 N 1.29 3.48 -0.38 3.13 0.00 -1.26 -0.76 121.76 127.24 3n8k s ALA 47 Ca -0.04 -0.16 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 3n8k s ALA 47 Cb -0.20 -2.87 0.05 0.00 0.00 0.00 0.00 23.12 20.10 3n8k s ALA 47 CO -0.00 -0.29 0.20 0.08 0.00 0.00 0.00 175.76 175.75 3n8k s VAL 48 N 1.28 4.27 -0.27 0.00 1.01 0.42 -4.88 120.40 122.23 3n8k s VAL 48 Ca 0.30 -1.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 3n8k s VAL 48 Cb -0.16 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3n8k s VAL 48 CO 0.12 -0.32 0.13 -0.69 0.00 0.00 0.00 175.10 174.33 3n8k s VAL 49 N 1.47 4.75 0.01 2.92 1.01 -1.26 -0.49 120.40 128.81 3n8k s VAL 49 Ca 0.01 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.98 3n8k s VAL 49 Cb -0.21 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 3n8k s VAL 49 CO 0.04 0.27 -0.13 -0.13 0.00 0.00 0.00 175.10 175.16 3n8k s ARG 50 N 1.67 0.95 -0.01 2.72 3.00 0.51 -4.99 118.95 122.80 3n8k s ARG 50 Ca 0.06 -0.59 0.03 0.00 0.00 0.00 0.00 55.73 55.24 3n8k s ARG 50 Cb -0.16 -0.94 -0.01 0.00 0.00 0.00 0.00 34.95 33.85 3n8k s ARG 50 CO 0.07 0.24 -0.10 -1.14 0.00 0.00 0.00 175.30 174.37 3n8k s GLN 51 N -0.70 0.89 -0.11 3.54 -0.44 -1.26 -0.17 119.66 121.41 3n8k s GLN 51 Ca 0.03 -0.36 -0.15 0.00 -2.50 0.00 0.00 55.36 52.38 3n8k s GLN 51 Cb -0.06 -0.85 0.04 0.00 -1.64 0.00 0.00 33.01 30.49 3n8k s GLN 51 CO 0.00 0.20 0.39 0.45 0.50 0.00 0.00 175.29 176.83 3n8k s SER 52 N -0.13 -0.36 0.00 6.67 0.15 -0.72 -4.98 113.70 114.34 3n8k s SER 52 Ca 0.02 0.59 0.29 0.00 0.70 0.00 0.00 55.95 57.55 3n8k s SER 52 Cb -0.05 0.66 1.32 0.00 -1.71 0.00 0.00 66.02 66.23 3n8k s SER 52 CO -0.00 -0.25 1.91 0.47 1.20 0.00 0.00 173.24 176.57 3n8k n ASP 53 N 2.31 0.39 -4.58 5.45 8.00 -1.26 -2.72 116.55 124.14 3n8k n ASP 53 Ca -0.16 -0.56 -0.37 0.00 0.71 0.00 0.00 54.79 54.41 3n8k n ASP 53 Cb 0.57 -0.10 -0.11 0.00 -0.02 0.00 0.00 41.12 41.46 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 -2.44 5.87 0.16 -2.24 0.15 -1.26 -4.65 113.70 109.29 3n8k s SER 54 Ca 0.30 -0.02 -0.15 0.00 0.70 0.00 0.00 55.95 56.78 3n8k s SER 54 Cb 0.20 -2.08 0.09 0.00 -1.71 0.00 0.00 66.02 62.52 3n8k s SER 54 CO 0.46 -0.02 1.77 -0.08 1.20 0.00 0.00 173.24 176.57 3n8k h GLU 55 N 8.17 0.36 -0.76 5.44 4.81 -2.00 -2.16 114.58 128.44 3n8k h GLU 55 Ca -0.36 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.91 3n8k h GLU 55 Cb 1.18 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 3n8k h GLU 55 CO 0.58 0.24 0.45 0.00 -0.73 0.00 0.00 179.01 179.55 3n8k h ALA 56 N 1.24 1.04 -0.58 2.92 0.00 -1.99 -0.05 119.26 121.83 3n8k h ALA 56 Ca 0.18 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3n8k h ALA 56 Cb 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3n8k h ALA 56 CO -0.15 0.15 0.29 0.37 0.00 0.00 0.00 179.25 179.91 3n8k h GLN 57 N 0.82 0.83 -0.77 0.00 5.75 -1.93 -1.94 115.11 117.88 3n8k h GLN 57 Ca 0.34 -0.12 -0.05 0.00 -0.15 0.00 0.00 58.65 58.67 3n8k h GLN 57 Cb 0.19 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 3n8k h GLN 57 CO -0.18 0.67 0.29 -0.07 -2.65 0.00 0.00 178.83 176.88 3n8k h LEU 58 N 0.79 1.09 -0.46 -2.39 3.38 -0.71 -1.99 115.31 115.02 3n8k h LEU 58 Ca 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3n8k h LEU 58 Cb 0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3n8k h LEU 58 CO -0.03 0.98 0.27 -0.07 0.09 0.00 0.00 178.44 179.68 3n8k h LEU 59 N 1.13 0.56 -0.33 1.67 3.38 -0.83 -2.13 115.31 118.77 3n8k h LEU 59 Ca 0.26 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.18 3n8k h LEU 59 Cb 0.25 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3n8k h LEU 59 CO -0.02 0.47 0.16 -0.78 0.09 0.00 0.00 178.44 178.36 3n8k h ASP 60 N 0.61 0.22 -0.64 -0.43 3.58 -1.10 0.08 116.42 118.75 3n8k h ASP 60 Ca 0.16 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.64 3n8k h ASP 60 Cb 0.02 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 3n8k h ASP 60 CO -0.03 0.17 0.42 -0.50 -2.88 0.00 0.00 179.24 176.42 3n8k h TRP 61 N 0.33 0.81 0.00 0.28 6.55 -1.19 -2.06 115.95 120.66 3n8k h TRP 61 Ca 0.14 0.02 -0.11 0.00 0.95 0.00 0.00 58.89 59.89 3n8k h TRP 61 Cb 0.06 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.08 3n8k h TRP 61 CO -0.10 0.51 -0.51 -0.84 -1.05 0.00 0.00 178.44 176.44 3n8k h ILE 62 N 0.86 0.96 -0.90 1.49 -0.00 -1.17 -2.54 117.51 116.22 3n8k h ILE 62 Ca 0.23 -2.13 0.02 0.00 -0.00 0.00 0.00 64.86 62.99 3n8k h ILE 62 Cb -0.09 2.32 -0.05 0.00 -0.00 0.00 0.00 36.82 38.99 3n8k h ILE 62 CO -0.05 0.50 0.59 0.45 -0.00 0.00 0.00 178.15 179.64 3n8k h HIS 63 N 0.00 1.10 -0.20 0.16 3.86 -0.64 -1.53 115.15 117.91 3n8k h HIS 63 Ca -0.01 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.09 3n8k h HIS 63 Cb 1.27 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 29.37 3n8k h HIS 63 CO 0.00 0.66 -0.48 1.96 0.86 0.00 0.00 177.93 180.93 3n8k h GLN 64 N 1.16 0.51 -0.11 2.45 4.20 -1.20 -1.99 115.11 120.13 3n8k h GLN 64 Ca 0.35 -0.29 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 3n8k h GLN 64 Cb -0.05 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3n8k h GLN 64 CO -0.10 0.88 -0.32 0.00 -0.67 0.00 0.00 178.83 178.62 3n8k h ALA 65 N 1.07 1.25 -0.39 3.87 0.00 -1.27 -1.23 119.26 122.57 3n8k h ALA 65 Ca 0.02 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 3n8k h ALA 65 Cb 0.99 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3n8k h ALA 65 CO 0.09 0.51 -0.23 0.00 0.00 0.00 0.00 179.25 179.62 3n8k h ALA 66 N 1.48 0.55 -0.24 0.00 0.00 -1.02 -0.46 119.26 119.58 3n8k h ALA 66 Ca 0.03 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 3n8k h ALA 66 Cb 0.67 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3n8k h ALA 66 CO 0.05 0.54 -0.39 -0.44 0.00 0.00 0.00 179.25 179.00 3n8k h ASP 67 N 0.65 0.57 0.13 0.00 3.32 -1.19 -3.10 116.42 116.81 3n8k h ASP 67 Ca 0.08 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3n8k h ASP 67 Cb 0.80 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3n8k h ASP 67 CO 0.07 0.91 -0.16 0.00 -1.72 0.00 0.00 179.24 178.33 3n8k n ALA 68 N -2.50 2.89 -3.93 3.45 0.00 -0.48 -4.95 120.51 114.98 3n8k n ALA 68 Ca -0.02 -0.43 -0.28 0.00 0.00 0.00 0.00 53.44 52.71 3n8k n ALA 68 Cb 0.51 -1.13 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 -0.28 -1.62 -2.83 0.00 0.00 -0.45 -4.98 120.51 110.34 3n8k n ALA 69 Ca 0.15 -0.04 -0.37 0.00 0.00 0.00 0.00 53.44 53.18 3n8k n ALA 69 Cb 0.36 -3.00 -0.06 0.00 0.00 0.00 0.00 19.45 16.75 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 -6.52 3.50 0.60 0.00 2.02 -0.31 -4.61 118.70 113.38 3n8k s GLU 70 Ca 0.37 -0.08 -0.20 0.00 0.02 0.00 0.00 54.97 55.08 3n8k s GLU 70 Cb -0.19 -3.18 -0.03 0.00 0.10 0.00 0.00 34.13 30.83 3n8k s GLU 70 CO 0.86 0.76 1.32 -2.30 0.02 0.00 0.00 175.26 175.91 3n8k n PRO 71 N 1.83 1.38 -4.59 0.39 -0.02 -1.26 -4.70 135.00 128.04 3n8k n PRO 71 Ca -0.18 0.52 -0.27 0.00 -2.02 0.00 0.00 63.50 61.55 3n8k n PRO 71 Cb 0.54 -2.54 -0.17 0.00 -0.02 0.00 0.00 33.50 31.31 3n8k n PRO 71 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3n8k s VAL 72 N -1.34 1.36 -0.32 -1.45 1.01 -0.75 -1.44 120.40 117.49 3n8k s VAL 72 Ca 0.77 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 62.07 3n8k s VAL 72 Cb -0.40 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 34.74 3n8k s VAL 72 CO 0.44 0.41 0.15 -0.63 0.00 0.00 0.00 175.10 175.47 3n8k s ILE 73 N 0.79 4.48 -0.17 2.22 1.01 0.97 -0.64 121.20 129.85 3n8k s ILE 73 Ca -0.11 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.01 3n8k s ILE 73 Cb -0.16 -3.32 0.02 0.00 0.01 0.00 0.00 42.46 39.01 3n8k s ILE 73 CO 0.02 0.03 -0.18 -0.22 0.00 0.00 0.00 174.94 174.58 3n8k s LEU 74 N 1.58 1.98 -0.43 2.97 2.96 0.15 -0.38 118.68 127.52 3n8k s LEU 74 Ca 0.04 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.32 3n8k s LEU 74 Cb -0.17 -1.38 0.11 0.00 0.50 0.00 0.00 46.19 45.25 3n8k s LEU 74 CO 0.06 -0.02 0.23 0.21 -1.32 0.00 0.00 176.35 175.51 3n8k s ASN 75 N 1.34 5.28 0.00 3.68 3.84 -0.43 -1.59 114.94 127.06 3n8k s ASN 75 Ca 0.05 -2.09 0.31 0.00 0.21 0.00 0.00 52.86 51.33 3n8k s ASN 75 Cb -0.13 -1.84 1.71 0.00 -0.55 0.00 0.00 41.25 40.44 3n8k s ASN 75 CO -0.12 -0.54 2.13 0.00 -2.79 0.00 0.00 177.10 175.79 3n8k n ALA 76 N 4.52 2.62 -0.86 1.71 0.00 -1.26 0.50 120.51 127.74 3n8k n ALA 76 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3n8k n ALA 76 Cb 0.41 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3n8k n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n8k n GLY 77 N 1.12 3.07 0.24 0.00 0.00 -1.26 -2.56 105.19 105.81 3n8k n GLY 77 Ca 0.20 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.83 103.07 100.28 3n8k h GLY 78 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3n8k h GLY 78 CO 0.00 0.00 -0.16 1.41 0.00 0.00 0.00 176.54 177.79 3n8k h LEU 79 N 0.00 0.00 -0.97 3.11 3.38 -1.87 -2.85 115.31 116.11 3n8k h LEU 79 Ca -0.00 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.28 3n8k h LEU 79 Cb 0.33 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.92 3n8k h LEU 79 CO 0.02 0.16 0.46 0.74 0.09 0.00 0.00 178.44 179.91 3n8k h THR 80 N 0.00 0.23 -0.02 0.22 2.02 -1.62 -0.48 112.91 113.27 3n8k h THR 80 Ca -0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3n8k h THR 80 Cb 0.45 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3n8k h THR 80 CO 0.02 0.04 -0.25 1.41 0.37 0.00 0.00 175.52 177.11 3n8k n HIS 81 N -5.15 0.00 0.00 3.16 8.25 -1.08 -1.67 115.22 118.73 3n8k n HIS 81 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 3n8k n HIS 81 Cb 0.96 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 32.04 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 0.22 0.00 -3.14 1.59 -2.24 -0.75 -4.82 114.28 105.15 3n8k n THR 82 Ca 0.12 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.47 3n8k n THR 82 Cb 0.46 -0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.06 6.26 0.19 3.42 0.15 -0.26 -4.88 113.70 116.51 3n8k s SER 83 Ca 0.00 -0.70 0.01 0.00 0.70 0.00 0.00 55.95 55.97 3n8k s SER 83 Cb 0.00 -2.30 0.09 0.00 -1.71 0.00 0.00 66.02 62.10 3n8k s SER 83 CO 0.00 -0.86 1.45 0.58 1.20 0.00 0.00 173.24 175.61 3n8k h VAL 84 N 5.86 1.42 -0.60 4.45 2.07 -1.96 -3.11 116.25 124.39 3n8k h VAL 84 Ca -0.27 -2.26 0.06 0.00 0.82 0.00 0.00 66.70 65.05 3n8k h VAL 84 Cb 1.09 2.21 -0.05 0.00 -1.52 0.00 0.00 31.29 33.02 3n8k h VAL 84 CO 0.94 0.67 0.31 0.00 0.02 0.00 0.00 177.57 179.50 3n8k h ALA 85 N 1.02 0.78 -0.47 1.67 0.00 -1.99 0.15 119.26 120.41 3n8k h ALA 85 Ca -0.03 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3n8k h ALA 85 Cb 1.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3n8k h ALA 85 CO 0.12 -0.04 0.04 1.25 0.00 0.00 0.00 179.25 180.63 3n8k h LEU 86 N 0.58 0.78 -0.51 0.00 5.85 -1.95 -2.16 115.31 117.90 3n8k h LEU 86 Ca 0.27 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3n8k h LEU 86 Cb 0.19 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3n8k h LEU 86 CO -0.19 0.87 0.26 -0.09 -0.34 0.00 0.00 178.44 178.96 3n8k h ARG 87 N 0.67 0.49 -0.71 1.25 2.43 -1.38 -1.31 114.38 115.83 3n8k h ARG 87 Ca 0.14 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3n8k h ARG 87 Cb 0.45 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 3n8k h ARG 87 CO 0.02 0.32 0.40 -0.44 -1.51 0.00 0.00 179.97 178.76 3n8k h ASP 88 N 0.50 0.86 -0.25 -3.80 3.32 -0.46 -1.28 116.42 115.30 3n8k h ASP 88 Ca 0.22 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 3n8k h ASP 88 Cb 0.13 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3n8k h ASP 88 CO -0.15 0.68 -0.12 0.00 -1.72 0.00 0.00 179.24 177.93 3n8k h ALA 89 N 1.46 0.35 0.00 3.45 0.00 -1.12 -3.09 119.26 120.32 3n8k h ALA 89 Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3n8k h ALA 89 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3n8k h ALA 89 CO -0.04 0.22 -0.06 0.00 0.00 0.00 0.00 179.25 179.36 3n8k h ALA 91 N 1.94 1.00 0.00 0.00 0.00 -1.16 -2.39 119.26 118.65 3n8k h ALA 91 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3n8k h ALA 91 Cb 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3n8k h ALA 91 CO 0.01 0.00 -0.24 0.93 0.00 0.00 0.00 179.25 179.95 3n8k h GLU 92 N 0.00 0.00 -6.55 0.00 5.08 -1.50 -3.46 114.58 108.15 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 0.30 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.59 3n8k h GLU 92 CO 0.00 0.13 1.00 -0.51 -1.00 0.00 0.00 179.01 178.64 3n8k s LEU 93 N -6.20 4.38 -0.19 1.33 1.43 -0.90 -4.87 118.68 113.66 3n8k s LEU 93 Ca 0.05 2.67 0.03 0.00 -1.03 0.00 0.00 54.13 55.86 3n8k s LEU 93 Cb 0.06 -3.58 -0.22 0.00 0.03 0.00 0.00 46.19 42.49 3n8k s LEU 93 CO 0.70 -0.92 0.08 -1.54 0.23 0.00 0.00 176.35 174.91 3n8k n SER 94 N 4.89 1.58 -4.81 2.29 3.41 -1.26 -4.94 113.62 114.78 3n8k n SER 94 Ca 0.16 0.04 -0.32 0.00 -0.26 0.00 0.00 58.87 58.49 3n8k n SER 94 Cb 0.38 -0.27 0.04 0.00 -0.26 0.00 0.00 64.21 64.10 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 -2.53 2.67 0.34 7.33 0.00 -1.26 -4.97 121.76 123.34 3n8k s ALA 95 Ca -0.24 0.20 -0.27 0.00 0.00 0.00 0.00 51.96 51.65 3n8k s ALA 95 Cb 0.08 -3.20 -0.12 0.00 0.00 0.00 0.00 23.12 19.87 3n8k s ALA 95 CO 0.71 -1.12 1.11 -2.30 0.00 0.00 0.00 175.76 174.17 3n8k n PRO 96 N -2.78 1.64 -4.08 0.00 -0.02 -1.26 -4.75 135.00 123.75 3n8k n PRO 96 Ca 0.08 0.58 -0.34 0.00 -2.02 0.00 0.00 63.50 61.80 3n8k n PRO 96 Cb 0.53 -2.08 -0.15 0.00 -0.02 0.00 0.00 33.50 31.78 3n8k n PRO 96 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3n8k s LEU 97 N -0.36 2.34 -0.22 2.45 2.96 -1.26 -1.80 118.68 122.78 3n8k s LEU 97 Ca 0.59 -0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 3n8k s LEU 97 Cb -0.61 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 44.53 3n8k s LEU 97 CO 0.60 -0.00 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.94 3n8k s ILE 98 N 1.32 3.20 -0.12 6.68 -1.09 0.18 -0.22 121.20 131.16 3n8k s ILE 98 Ca 0.05 -0.62 -0.22 0.00 -2.23 0.00 0.00 60.65 57.63 3n8k s ILE 98 Cb -0.13 -2.48 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 3n8k s ILE 98 CO -0.10 0.38 0.65 -0.70 -1.23 0.00 0.00 174.94 173.95 3n8k s GLU 99 N 1.44 4.35 -0.05 2.79 2.12 -0.38 -0.67 118.70 128.30 3n8k s GLU 99 Ca 0.05 0.74 0.04 0.00 0.36 0.00 0.00 54.97 56.16 3n8k s GLU 99 Cb -0.15 -3.49 -0.00 0.00 0.26 0.00 0.00 34.13 30.75 3n8k s GLU 99 CO -0.04 -0.03 -0.18 0.08 -0.54 0.00 0.00 175.26 174.54 3n8k s VAL 100 N 1.18 1.54 -0.04 3.70 1.01 -0.62 -0.52 120.40 126.64 3n8k s VAL 100 Ca 0.33 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.57 3n8k s VAL 100 Cb -0.17 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.89 3n8k s VAL 100 CO 0.14 0.44 -0.12 -1.00 0.00 0.00 0.00 175.10 174.56 3n8k s HIS 101 N 0.08 1.33 0.06 5.22 3.76 0.31 -4.10 115.29 121.95 3n8k s HIS 101 Ca -0.06 -0.40 -0.21 0.00 -0.15 0.00 0.00 55.06 54.24 3n8k s HIS 101 Cb -0.13 -0.94 -0.12 0.00 1.11 0.00 0.00 32.58 32.50 3n8k s HIS 101 CO 0.03 -0.18 1.47 0.82 -0.85 0.00 0.00 174.74 176.03 3n8k h ILE 102 N 5.56 1.27 -3.38 0.60 2.04 -1.86 -1.75 117.51 119.99 3n8k h ILE 102 Ca -0.33 -0.93 -0.49 0.00 1.00 0.00 0.00 64.86 64.11 3n8k h ILE 102 Cb 1.18 1.56 0.02 0.00 -0.74 0.00 0.00 36.82 38.83 3n8k h ILE 102 CO 0.48 0.28 0.01 -0.94 0.00 0.00 0.00 178.15 177.98 3n8k s SER 103 N -5.86 6.34 -0.88 1.72 1.04 -1.26 -1.99 113.70 112.81 3n8k s SER 103 Ca -0.14 0.83 -0.25 0.00 0.48 0.00 0.00 55.95 56.87 3n8k s SER 103 Cb 0.06 -2.20 0.03 0.00 0.10 0.00 0.00 66.02 64.01 3n8k s SER 103 CO 0.73 -0.43 1.42 0.21 0.98 0.00 0.00 173.24 176.14 3n8k s ASN 104 N -3.79 6.24 0.64 7.02 3.84 -1.26 -2.46 114.94 125.17 3n8k s ASN 104 Ca 0.46 -0.92 0.42 0.00 0.21 0.00 0.00 52.86 53.03 3n8k s ASN 104 Cb -0.10 -2.56 2.15 0.00 -0.55 0.00 0.00 41.25 40.18 3n8k s ASN 104 CO 0.39 -1.74 2.27 -0.37 -2.79 0.00 0.00 177.10 174.85 3n8k h VAL 105 N 6.50 0.00 0.00 -5.21 -1.51 -1.93 -0.70 116.25 113.39 3n8k h VAL 105 Ca -0.03 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 3n8k h VAL 105 Cb 1.03 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 3n8k h VAL 105 CO 1.35 0.00 -0.02 1.41 -1.23 0.00 0.00 177.57 179.08 3n8k n HIS 106 N -3.08 0.56 0.13 5.19 8.25 -1.26 -3.12 115.22 121.88 3n8k n HIS 106 Ca -0.02 0.16 0.11 0.00 -0.26 0.00 0.00 57.72 57.71 3n8k n HIS 106 Cb 0.13 -0.76 0.27 0.00 1.12 0.00 0.00 29.99 30.76 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 -1.67 2.41 -2.83 -1.41 0.00 -0.27 -4.95 120.51 111.79 3n8k n ALA 107 Ca 0.06 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.44 3n8k n ALA 107 Cb 0.39 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 1.39 3.98 -1.96 0.00 1.74 -1.18 -5.09 116.66 115.54 3n8k n ARG 108 Ca 0.21 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.91 3n8k n ARG 108 Cb 0.56 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.02 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 2.39 3.42 0.38 5.56 8.01 -1.26 -4.92 118.70 132.28 3n8k s GLU 109 Ca 0.00 2.08 0.10 0.00 0.01 0.00 0.00 54.97 57.15 3n8k s GLU 109 Cb 0.00 -2.35 0.86 0.00 -4.31 0.00 0.00 34.13 28.32 3n8k s GLU 109 CO 0.00 -0.91 1.93 0.93 0.01 0.00 0.00 175.26 177.21 3n8k h GLU 110 N 1.77 0.61 0.00 1.61 4.39 -1.96 -1.63 114.58 119.37 3n8k h GLU 110 Ca -0.50 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.16 3n8k h GLU 110 Cb 1.28 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3n8k h GLU 110 CO 0.59 0.40 0.00 1.97 -1.16 0.00 0.00 179.01 180.81 3n8k n PHE 111 N -4.50 0.80 1.25 4.33 1.16 -1.26 -1.68 117.46 117.55 3n8k n PHE 111 Ca 0.13 0.37 0.13 0.00 -1.87 0.00 0.00 57.45 56.21 3n8k n PHE 111 Cb 0.37 -1.09 0.40 0.00 -1.61 0.00 0.00 39.48 37.55 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 -2.28 0.76 -0.24 3.97 1.74 -0.61 -4.18 116.66 115.81 3n8k n ARG 112 Ca 0.00 -0.42 0.08 0.00 -0.77 0.00 0.00 57.85 56.74 3n8k n ARG 112 Cb 0.13 -1.49 0.23 0.00 -1.02 0.00 0.00 32.46 30.30 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 -0.75 2.15 -2.75 5.56 1.74 -0.68 -4.49 116.66 117.43 3n8k n ARG 113 Ca 0.12 -1.78 -0.18 0.00 -0.77 0.00 0.00 57.85 55.24 3n8k n ARG 113 Cb 0.34 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 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 0.95 1.97 -1.61 -1.55 8.25 -1.26 -5.05 115.22 116.93 3n8k n HIS 114 Ca 0.17 -3.24 -0.49 0.00 -0.26 0.00 0.00 57.72 53.90 3n8k n HIS 114 Cb 0.42 -0.32 -0.04 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.13 1.89 0.17 0.41 2.88 -1.26 -4.86 113.62 112.71 3n8k n SER 115 Ca 0.23 1.13 0.04 0.00 -1.33 0.00 0.00 58.87 58.94 3n8k n SER 115 Cb 0.69 -1.27 0.23 0.00 -0.75 0.00 0.00 64.21 63.11 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 4.20 0.00 0.19 0.66 0.05 -1.64 -3.34 116.97 117.09 3n8k h TYR 116 Ca -0.45 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.01 3n8k h TYR 116 Cb 1.32 0.00 0.02 0.00 1.01 0.00 0.00 36.73 39.07 3n8k h TYR 116 CO 0.57 0.44 -1.50 -0.07 -1.05 0.00 0.00 178.16 176.56 3n8k h LEU 117 N 0.00 0.62 -0.76 3.88 3.38 -1.91 -3.38 115.31 117.14 3n8k h LEU 117 Ca -0.00 -0.74 0.17 0.00 0.09 0.00 0.00 57.88 57.40 3n8k h LEU 117 Cb 1.08 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.50 3n8k h LEU 117 CO 0.06 1.60 0.01 0.28 0.09 0.00 0.00 178.44 180.47 3n8k h SER 118 N 0.11 -0.34 0.38 -0.43 0.02 -1.93 -1.34 113.55 110.01 3n8k h SER 118 Ca -0.25 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3n8k h SER 118 Cb 2.08 0.34 0.00 0.00 0.14 0.00 0.00 62.40 64.97 3n8k h SER 118 CO 0.22 -0.18 0.00 -0.65 -1.14 0.00 0.00 176.83 175.08 3n8k h PRO 119 N 0.10 0.00 -0.01 3.45 0.11 -1.79 -2.72 132.00 131.15 3n8k h PRO 119 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 3n8k h PRO 119 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3n8k h PRO 119 CO -0.67 0.00 -0.31 0.44 -0.21 0.00 0.00 178.00 177.26 3n8k n ILE 120 N -2.96 0.00 -1.86 4.15 -5.35 -0.57 -5.01 119.36 107.76 3n8k n ILE 120 Ca -0.01 -0.35 -0.31 0.00 -0.27 0.00 0.00 62.75 61.81 3n8k n ILE 120 Cb 0.15 1.12 0.01 0.00 -1.74 0.00 0.00 39.64 39.18 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 -1.64 3.00 0.00 -1.28 0.00 -0.82 -4.93 121.76 116.09 3n8k s ALA 121 Ca 0.09 -0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.79 3n8k s ALA 121 Cb 0.10 -3.11 -0.18 0.00 0.00 0.00 0.00 23.12 19.92 3n8k s ALA 121 CO 0.33 -0.77 1.33 1.15 0.00 0.00 0.00 175.76 177.81 3n8k h THR 122 N -0.27 1.12 -3.54 0.00 2.02 -0.91 -3.48 112.91 107.85 3n8k h THR 122 Ca -0.44 -0.80 -0.06 0.00 0.77 0.00 0.00 66.41 65.88 3n8k h THR 122 Cb 1.19 1.63 -0.07 0.00 -1.74 0.00 0.00 68.15 69.16 3n8k h THR 122 CO 0.61 0.19 -0.03 -0.83 0.37 0.00 0.00 175.52 175.83 3n8k s GLY 123 N -2.89 0.54 -0.04 2.16 0.00 -1.17 -5.04 107.32 100.87 3n8k s GLY 123 Ca -0.15 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.73 3n8k s GLY 123 CO 0.63 -0.55 -0.04 0.14 0.00 0.00 0.00 173.10 173.28 3n8k s VAL 124 N -3.71 0.49 -0.16 1.40 1.01 -1.26 -1.24 120.40 116.92 3n8k s VAL 124 Ca 0.21 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3n8k s VAL 124 Cb -0.02 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3n8k s VAL 124 CO 0.10 0.21 -0.17 -0.63 0.00 0.00 0.00 175.10 174.61 3n8k s ILE 125 N 0.85 2.39 -0.01 2.22 1.01 0.32 -4.98 121.20 123.00 3n8k s ILE 125 Ca -0.11 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.71 3n8k s ILE 125 Cb -0.14 -2.00 -0.00 0.00 0.01 0.00 0.00 42.46 40.33 3n8k s ILE 125 CO 0.00 0.52 -0.06 -0.69 0.00 0.00 0.00 174.94 174.71 3n8k s VAL 126 N 1.01 0.53 0.00 2.92 1.01 -1.26 -0.53 120.40 124.09 3n8k s VAL 126 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3n8k s VAL 126 Cb -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.77 3n8k s VAL 126 CO -0.05 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.82 3n8k n GLY 127 N 3.06 0.43 1.48 4.51 0.00 -0.66 -4.80 105.19 109.21 3n8k n GLY 127 Ca -0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 4.38 0.00 0.99 4.77 -1.24 -4.63 117.00 121.27 3n8k n LEU 128 Ca 0.00 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.76 3n8k n LEU 128 Cb 0.11 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 3n8k n LEU 128 CO 0.00 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3n8k n GLY 129 N 0.81 1.05 0.23 -0.72 0.00 -0.84 -3.26 105.19 102.45 3n8k n GLY 129 Ca 0.22 -0.66 0.08 0.00 0.00 0.00 0.00 46.02 45.65 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 0.91 0.00 -0.61 6.09 -1.90 -2.73 117.51 119.27 3n8k h ILE 130 Ca 0.00 -0.86 -0.01 0.00 -1.37 0.00 0.00 64.86 62.62 3n8k h ILE 130 Cb 0.00 1.50 -0.00 0.00 0.47 0.00 0.00 36.82 38.79 3n8k h ILE 130 CO 0.00 0.22 -0.05 -0.61 -3.07 0.00 0.00 178.15 174.64 3n8k h GLN 131 N 0.00 0.00 -1.01 2.19 4.15 -1.97 -2.88 115.11 115.59 3n8k h GLN 131 Ca -0.00 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.54 3n8k h GLN 131 Cb 0.48 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.09 3n8k h GLN 131 CO 0.03 0.05 0.63 0.78 -1.93 0.00 0.00 178.83 178.40 3n8k h GLY 132 N 1.06 1.65 0.96 2.39 0.00 -1.54 0.15 103.07 107.74 3n8k h GLY 132 Ca -0.00 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.92 3n8k h GLY 132 CO 0.01 0.16 0.32 -0.97 0.00 0.00 0.00 176.54 176.05 3n8k h TYR 133 N 1.00 0.60 -0.23 5.60 -1.99 -1.73 -1.77 116.97 118.45 3n8k h TYR 133 Ca 0.50 0.02 -0.14 0.00 2.00 0.00 0.00 58.73 61.11 3n8k h TYR 133 Cb 0.50 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 3n8k h TYR 133 CO -0.00 0.37 -0.43 -0.07 -0.00 0.00 0.00 178.16 178.02 3n8k h LEU 134 N 0.65 0.60 -0.62 3.88 3.38 -1.26 -2.28 115.31 119.66 3n8k h LEU 134 Ca 0.19 -0.28 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 3n8k h LEU 134 Cb -0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3n8k h LEU 134 CO -0.06 0.96 -0.40 -0.07 0.09 0.00 0.00 178.44 178.96 3n8k h LEU 135 N 0.46 0.68 -0.82 1.67 3.38 -0.73 -2.48 115.31 117.47 3n8k h LEU 135 Ca 0.03 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3n8k h LEU 135 Cb 0.94 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 3n8k h LEU 135 CO 0.08 1.00 0.41 0.00 0.09 0.00 0.00 178.44 180.02 3n8k h ALA 136 N 1.03 1.05 -0.90 1.53 0.00 -1.15 -1.92 119.26 118.91 3n8k h ALA 136 Ca 0.05 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3n8k h ALA 136 Cb 0.92 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3n8k h ALA 136 CO 0.08 0.60 0.60 -0.07 0.00 0.00 0.00 179.25 180.46 3n8k h LEU 137 N 1.15 1.03 -1.09 0.00 3.38 -1.26 -2.45 115.31 116.07 3n8k h LEU 137 Ca 0.28 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 3n8k h LEU 137 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3n8k h LEU 137 CO -0.04 0.74 -0.24 -0.09 0.09 0.00 0.00 178.44 178.90 3n8k h ARG 138 N 1.21 0.35 -0.40 1.13 2.43 -1.02 -1.18 114.38 116.90 3n8k h ARG 138 Ca 0.33 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3n8k h ARG 138 Cb -0.13 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3n8k h ARG 138 CO -0.08 0.57 0.12 -0.92 -1.51 0.00 0.00 179.97 178.15 3n8k h TYR 139 N 0.31 0.66 -0.01 2.20 3.20 -1.06 -2.92 116.97 119.35 3n8k h TYR 139 Ca 0.05 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 3n8k h TYR 139 Cb 0.60 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3n8k h TYR 139 CO 0.01 0.62 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.66 3n8k h LEU 140 N 0.51 0.03 -1.19 2.82 3.38 -1.03 -1.72 115.31 118.11 3n8k h LEU 140 Ca 0.13 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3n8k h LEU 140 Cb 0.28 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3n8k h LEU 140 CO -0.00 0.45 -0.19 0.00 0.09 0.00 0.00 178.44 178.79 3n8k h ALA 141 N 1.55 1.32 0.00 1.53 0.00 -1.13 -2.32 119.26 120.22 3n8k h ALA 141 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3n8k h ALA 141 Cb 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3n8k h ALA 141 CO 0.06 0.46 -0.37 0.39 0.00 0.00 0.00 179.25 179.78 3n8k n GLU 142 N -4.19 0.23 -3.11 0.00 4.71 -0.99 -4.52 120.64 112.77 3n8k n GLU 142 Ca -0.00 0.11 -0.26 0.00 -0.01 0.00 0.00 57.16 57.00 3n8k n GLU 142 Cb 0.33 -1.69 -0.05 0.00 -1.01 0.00 0.00 31.44 29.02 3n8k n GLU 142 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3n8k n HIS 143 N -2.05 3.46 1.03 -0.32 8.25 -0.68 -5.11 115.22 119.79 3n8k n HIS 143 Ca 0.04 -4.01 0.12 0.00 -0.26 0.00 0.00 57.72 53.61 3n8k n HIS 143 Cb 0.42 -0.50 0.12 0.00 1.12 0.00 0.00 29.99 31.15 3n8k n HIS 143 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26