#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 4.24 -0.10 1.96 1.01 -1.26 -1.25 121.20 125.80 3n8k s ILE 4 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 3n8k s ILE 4 Cb 0.00 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 3n8k s ILE 4 CO 0.00 0.43 -0.05 -0.69 0.00 0.00 0.00 174.94 174.62 3n8k s VAL 5 N 0.85 3.79 -0.30 2.92 1.01 0.72 -4.03 120.40 125.37 3n8k s VAL 5 Ca 0.02 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 3n8k s VAL 5 Cb -0.14 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 3n8k s VAL 5 CO 0.02 0.56 0.18 0.20 0.00 0.00 0.00 175.10 176.06 3n8k s ASN 6 N -0.38 5.79 -0.33 3.32 0.01 -0.61 -0.67 114.94 122.07 3n8k s ASN 6 Ca 0.06 -0.28 -0.12 0.00 -0.71 0.00 0.00 52.86 51.81 3n8k s ASN 6 Cb -0.12 -2.07 -0.01 0.00 0.41 0.00 0.00 41.25 39.46 3n8k s ASN 6 CO 0.02 -0.14 0.21 -0.69 -1.51 0.00 0.00 177.10 175.00 3n8k s VAL 7 N 1.69 5.05 -0.18 1.60 1.01 0.12 0.18 120.40 129.88 3n8k s VAL 7 Ca 0.06 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.74 3n8k s VAL 7 Cb -0.17 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.63 3n8k s VAL 7 CO 0.09 0.00 -0.19 -0.63 0.00 0.00 0.00 175.10 174.37 3n8k s ILE 8 N 1.68 2.21 -0.11 2.22 1.01 0.82 -0.54 121.20 128.49 3n8k s ILE 8 Ca 0.05 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 3n8k s ILE 8 Cb -0.17 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 3n8k s ILE 8 CO 0.09 0.53 -0.05 0.20 0.00 0.00 0.00 174.94 175.71 3n8k s ASN 9 N 1.21 4.71 0.03 3.58 0.01 0.60 -1.25 114.94 123.83 3n8k s ASN 9 Ca 0.03 -0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 3n8k s ASN 9 Cb -0.14 -1.50 0.00 0.00 0.41 0.00 0.00 41.25 40.02 3n8k s ASN 9 CO -0.10 0.26 0.00 0.61 -1.51 0.00 0.00 177.10 176.37 3n8k n GLY 10 N 2.90 1.18 3.58 0.66 0.00 0.10 -1.53 105.19 112.08 3n8k n GLY 10 Ca -0.18 -1.94 -0.47 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.11 1.23 -0.28 1.61 -0.02 -1.13 -2.56 135.00 133.74 3n8k n PRO 11 Ca 0.00 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3n8k n PRO 11 Cb 0.00 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 1.80 0.00 0.24 2.55 3.02 -1.26 -4.38 115.26 117.24 3n8k n ASN 12 Ca 0.13 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.82 3n8k n ASN 12 Cb 0.27 -0.41 0.36 0.00 -0.61 0.00 0.00 39.78 39.39 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 0.00 3.41 3.38 -1.86 -2.29 115.31 117.95 3n8k h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 0.70 -0.91 0.57 0.83 0.00 -1.26 -2.84 105.19 102.28 3n8k n GLY 14 Ca 0.03 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.33 1.56 -1.51 1.61 5.12 -0.86 -4.73 116.66 116.52 3n8k n ARG 15 Ca 0.07 -1.15 -0.44 0.00 -1.93 0.00 0.00 57.85 54.40 3n8k n ARG 15 Cb 0.15 -1.48 -0.01 0.00 -1.16 0.00 0.00 32.46 29.96 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 0.28 0.60 0.00 0.55 4.77 -1.13 -2.43 117.00 119.63 3n8k n LEU 16 Ca 0.13 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 3n8k n LEU 16 Cb 0.46 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 3n8k n LEU 16 CO 0.21 -2.20 0.00 0.61 -1.33 0.00 0.00 177.39 174.68 3n8k n GLY 17 N 1.56 2.94 0.04 -0.72 0.00 -1.18 -3.69 105.19 104.14 3n8k n GLY 17 Ca 0.12 -0.78 0.10 0.00 0.00 0.00 0.00 46.02 45.46 3n8k n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n8k n ARG 18 N 0.00 0.65 -2.54 1.61 3.00 -1.18 -4.62 116.66 113.58 3n8k n ARG 18 Ca 0.00 -0.12 -0.43 0.00 -0.01 0.00 0.00 57.85 57.29 3n8k n ARG 18 Cb 0.00 -1.59 -0.02 0.00 0.00 0.00 0.00 32.46 30.85 3n8k n ARG 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3n8k s ARG 19 N -3.44 4.14 -0.31 5.56 3.00 -1.02 -4.45 118.95 122.43 3n8k s ARG 19 Ca -0.06 1.36 -0.00 0.00 -1.00 0.00 0.00 55.73 56.03 3n8k s ARG 19 Cb 0.13 -3.75 0.00 0.00 0.00 0.00 0.00 34.95 31.33 3n8k s ARG 19 CO 0.88 -0.81 0.22 0.39 0.00 0.00 0.00 175.30 175.98 3n8k n GLU 20 N 6.73 -0.58 -0.19 5.12 1.02 -1.26 -4.47 120.64 127.02 3n8k n GLU 20 Ca 0.13 0.28 0.13 0.00 -0.02 0.00 0.00 57.16 57.68 3n8k n GLU 20 Cb 0.46 -0.82 0.45 0.00 -0.02 0.00 0.00 31.44 31.51 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 0.52 0.52 0.00 3.49 0.11 -1.78 0.43 132.00 135.29 3n8k h PRO 21 Ca -0.24 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 3n8k h PRO 21 Cb 0.52 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 3n8k h PRO 21 CO 0.14 0.34 -0.14 0.00 -0.21 0.00 0.00 178.00 178.13 3n8k h ALA 22 N 1.63 1.15 0.03 -0.75 0.00 -1.86 -0.02 119.26 119.44 3n8k h ALA 22 Ca 0.37 -0.13 -0.38 0.00 0.00 0.00 0.00 54.91 54.78 3n8k h ALA 22 Cb 0.69 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 3n8k h ALA 22 CO -0.13 0.17 -2.17 0.28 0.00 0.00 0.00 179.25 177.40 3n8k n VAL 23 N -3.48 1.57 0.51 0.00 0.31 -0.06 -4.71 118.33 112.47 3n8k n VAL 23 Ca -0.01 -0.43 0.06 0.00 -0.01 0.00 0.00 64.34 63.94 3n8k n VAL 23 Cb 0.30 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 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 -3.82 0.00 0.00 3.52 4.02 -0.06 -4.42 117.16 116.40 3n8k n TYR 24 Ca -0.43 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.46 3n8k n TYR 24 Cb 0.92 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.24 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 0.93 -0.68 0.73 2.72 0.00 -0.02 -4.73 105.19 104.14 3n8k n GLY 25 Ca 0.05 -1.74 0.10 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 0.46 3.68 -0.02 0.00 -1.26 -4.15 105.19 103.24 3n8k n GLY 26 Ca 0.00 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.72 4.33 0.89 2.61 2.01 -1.26 -4.48 115.64 118.02 3n8k s THR 27 Ca 0.22 1.63 -0.12 0.00 0.31 0.00 0.00 61.69 63.73 3n8k s THR 27 Cb 0.16 -4.05 0.13 0.00 0.01 0.00 0.00 72.50 68.75 3n8k s THR 27 CO 0.28 -0.06 1.13 0.42 -0.69 0.00 0.00 174.62 175.70 3n8k s THR 28 N 2.70 2.21 0.20 -0.82 -4.23 -1.26 -3.09 115.64 111.35 3n8k s THR 28 Ca 0.54 0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 61.06 3n8k s THR 28 Cb -0.23 -2.80 0.01 0.00 1.34 0.00 0.00 72.50 70.83 3n8k s THR 28 CO 0.18 -0.09 1.58 -0.74 -0.54 0.00 0.00 174.62 175.01 3n8k h HIS 29 N -1.45 0.92 -0.93 3.99 2.76 -1.83 -1.56 115.15 117.05 3n8k h HIS 29 Ca -0.50 -0.23 -0.00 0.00 -2.20 0.00 0.00 60.37 57.43 3n8k h HIS 29 Cb 1.32 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 30.03 3n8k h HIS 29 CO 0.33 0.98 0.57 -0.44 -1.30 0.00 0.00 177.93 178.07 3n8k h ASP 30 N 0.67 1.12 0.06 3.26 3.32 -1.93 -1.72 116.42 121.20 3n8k h ASP 30 Ca 0.08 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.94 3n8k h ASP 30 Cb 0.82 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3n8k h ASP 30 CO 0.07 0.85 -0.41 -0.33 -1.72 0.00 0.00 179.24 177.70 3n8k h GLU 31 N 1.29 0.45 -0.28 3.56 5.08 -1.89 -2.76 114.58 120.03 3n8k h GLU 31 Ca 0.34 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3n8k h GLU 31 Cb -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3n8k h GLU 31 CO -0.06 0.79 0.11 1.25 -1.00 0.00 0.00 179.01 180.09 3n8k h LEU 32 N 0.37 0.38 -0.53 1.33 5.85 -0.88 -1.65 115.31 120.19 3n8k h LEU 32 Ca 0.03 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.68 3n8k h LEU 32 Cb 0.89 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 3n8k h LEU 32 CO 0.07 0.44 0.11 0.58 -0.34 0.00 0.00 178.44 179.30 3n8k h VAL 33 N 0.30 0.70 -0.63 1.05 2.07 -1.26 -0.46 116.25 118.01 3n8k h VAL 33 Ca 0.09 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 3n8k h VAL 33 Cb 0.18 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3n8k h VAL 33 CO -0.01 0.04 0.16 0.00 0.02 0.00 0.00 177.57 177.78 3n8k h ALA 34 N 1.41 1.09 -0.58 1.67 0.00 -1.33 -1.49 119.26 120.02 3n8k h ALA 34 Ca 0.27 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3n8k h ALA 34 Cb 0.37 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3n8k h ALA 34 CO -0.34 0.61 -0.01 -0.07 0.00 0.00 0.00 179.25 179.43 3n8k h LEU 35 N 0.94 1.02 -0.55 0.00 3.38 -0.68 -2.59 115.31 116.83 3n8k h LEU 35 Ca 0.20 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3n8k h LEU 35 Cb 0.33 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3n8k h LEU 35 CO -0.00 1.08 0.05 0.40 0.09 0.00 0.00 178.44 180.06 3n8k h ILE 36 N 0.93 1.26 -0.51 1.22 2.04 -0.91 -1.93 117.51 119.61 3n8k h ILE 36 Ca 0.16 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 65.05 3n8k h ILE 36 Cb 0.57 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 3n8k h ILE 36 CO 0.03 0.37 0.20 -0.08 0.00 0.00 0.00 178.15 178.68 3n8k h GLU 37 N 0.81 0.38 -0.36 2.37 4.81 -1.17 0.82 114.58 122.25 3n8k h GLU 37 Ca 0.16 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3n8k h GLU 37 Cb 0.47 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3n8k h GLU 37 CO 0.02 0.25 0.10 0.00 -0.73 0.00 0.00 179.01 178.65 3n8k h ARG 38 N 0.40 0.57 -0.55 1.92 3.08 -1.32 -2.18 114.38 116.30 3n8k h ARG 38 Ca 0.24 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 3n8k h ARG 38 Cb 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3n8k h ARG 38 CO -0.23 0.60 -0.03 1.49 -1.07 0.00 0.00 179.97 180.73 3n8k h GLU 39 N 0.43 0.99 -0.97 0.04 4.57 -1.08 -2.10 114.58 116.45 3n8k h GLU 39 Ca 0.11 -0.33 0.04 0.00 -1.18 0.00 0.00 59.36 58.00 3n8k h GLU 39 Cb 0.28 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.73 3n8k h GLU 39 CO -0.00 1.00 0.63 0.00 -1.18 0.00 0.00 179.01 179.46 3n8k h ALA 40 N 0.95 1.29 -0.39 2.92 0.00 -0.78 -0.60 119.26 122.65 3n8k h ALA 40 Ca 0.15 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3n8k h ALA 40 Cb 0.58 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3n8k h ALA 40 CO 0.03 0.51 -0.19 0.00 0.00 0.00 0.00 179.25 179.61 3n8k h ALA 41 N 1.40 0.94 -0.01 0.00 0.00 -1.15 -0.85 119.26 119.58 3n8k h ALA 41 Ca 0.39 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3n8k h ALA 41 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3n8k h ALA 41 CO -0.13 0.61 -0.59 1.49 0.00 0.00 0.00 179.25 180.64 3n8k h GLU 42 N 0.66 0.03 0.00 0.00 4.81 -0.86 -3.15 114.58 116.08 3n8k h GLU 42 Ca 0.10 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3n8k h GLU 42 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3n8k h GLU 42 CO 0.05 0.61 -0.67 -0.07 -0.73 0.00 0.00 179.01 178.21 3n8k h LEU 43 N 0.03 0.00 -0.11 1.64 3.38 -0.96 -3.48 115.31 115.80 3n8k h LEU 43 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3n8k h LEU 43 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3n8k h LEU 43 CO 0.08 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.23 3n8k n GLY 44 N 1.19 0.67 3.37 0.83 0.00 -0.44 -5.03 105.19 105.79 3n8k n GLY 44 Ca 0.02 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 3n8k n GLY 44 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3n8k s LEU 45 N -0.11 2.15 -0.14 0.99 0.05 -0.56 -4.81 118.68 116.25 3n8k s LEU 45 Ca 0.00 -1.28 -0.09 0.00 0.05 0.00 0.00 54.13 52.81 3n8k s LEU 45 Cb 0.00 -0.31 -0.04 0.00 -2.05 0.00 0.00 46.19 43.79 3n8k s LEU 45 CO 0.00 -0.55 0.16 -0.54 -0.55 0.00 0.00 176.35 174.88 3n8k s LYS 46 N -3.88 3.79 -0.11 1.48 -0.14 -0.38 -4.26 119.74 116.25 3n8k s LYS 46 Ca 0.32 -0.11 0.01 0.00 -1.36 0.00 0.00 55.97 54.83 3n8k s LYS 46 Cb 0.07 -3.29 0.02 0.00 -1.68 0.00 0.00 37.83 32.94 3n8k s LYS 46 CO 0.12 0.57 -0.14 0.00 -0.76 0.00 0.00 175.35 175.13 3n8k s ALA 47 N -0.43 1.63 -0.31 5.17 0.00 -1.26 -0.20 121.76 126.35 3n8k s ALA 47 Ca 0.13 -0.70 -0.08 0.00 0.00 0.00 0.00 51.96 51.32 3n8k s ALA 47 Cb -0.12 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.18 3n8k s ALA 47 CO 0.02 -0.12 0.11 0.08 0.00 0.00 0.00 175.76 175.85 3n8k s VAL 48 N 1.07 4.10 -0.25 0.00 1.01 0.16 -4.94 120.40 121.56 3n8k s VAL 48 Ca -0.05 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 3n8k s VAL 48 Cb -0.15 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3n8k s VAL 48 CO -0.03 0.01 0.14 -0.69 0.00 0.00 0.00 175.10 174.53 3n8k s VAL 49 N 1.51 5.03 -0.00 2.92 1.01 -1.26 -0.70 120.40 128.90 3n8k s VAL 49 Ca 0.02 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.11 3n8k s VAL 49 Cb -0.18 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3n8k s VAL 49 CO 0.04 0.32 -0.14 -0.13 0.00 0.00 0.00 175.10 175.19 3n8k s ARG 50 N 1.37 1.08 -0.02 2.72 0.52 0.30 -4.99 118.95 119.93 3n8k s ARG 50 Ca 0.06 -0.53 0.03 0.00 -0.52 0.00 0.00 55.73 54.77 3n8k s ARG 50 Cb -0.15 -1.06 -0.00 0.00 0.52 0.00 0.00 34.95 34.27 3n8k s ARG 50 CO 0.06 0.29 -0.10 -1.14 0.02 0.00 0.00 175.30 174.43 3n8k s GLN 51 N -0.45 0.98 -0.15 3.54 -0.44 -1.26 -0.29 119.66 121.59 3n8k s GLN 51 Ca 0.05 -0.34 -0.18 0.00 -2.50 0.00 0.00 55.36 52.39 3n8k s GLN 51 Cb -0.06 -0.91 0.05 0.00 -1.64 0.00 0.00 33.01 30.44 3n8k s GLN 51 CO -0.00 0.15 0.48 0.45 0.50 0.00 0.00 175.29 176.87 3n8k s SER 52 N 0.06 -0.48 0.00 6.67 0.15 -0.58 -4.98 113.70 114.55 3n8k s SER 52 Ca -0.01 0.83 0.29 0.00 0.70 0.00 0.00 55.95 57.75 3n8k s SER 52 Cb -0.07 0.85 1.28 0.00 -1.71 0.00 0.00 66.02 66.37 3n8k s SER 52 CO 0.00 -0.25 1.88 0.47 1.20 0.00 0.00 173.24 176.54 3n8k n ASP 53 N 2.41 0.73 -4.65 5.45 8.00 -1.26 -2.84 116.55 124.40 3n8k n ASP 53 Ca -0.15 -0.99 -0.37 0.00 0.71 0.00 0.00 54.79 53.99 3n8k n ASP 53 Cb 0.57 -0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 41.56 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 -2.22 6.19 0.10 -2.24 0.15 -1.26 -4.65 113.70 109.76 3n8k s SER 54 Ca 0.36 0.20 -0.20 0.00 0.70 0.00 0.00 55.95 57.00 3n8k s SER 54 Cb 0.21 -2.14 -0.09 0.00 -1.71 0.00 0.00 66.02 62.28 3n8k s SER 54 CO 0.41 -0.01 1.71 -0.08 1.20 0.00 0.00 173.24 176.47 3n8k h GLU 55 N 7.66 0.23 -0.96 5.44 4.81 -2.00 -2.23 114.58 127.54 3n8k h GLU 55 Ca -0.37 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 58.97 3n8k h GLU 55 Cb 1.17 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.42 3n8k h GLU 55 CO 0.65 0.22 0.59 0.00 -0.73 0.00 0.00 179.01 179.74 3n8k h ALA 56 N 1.00 1.46 -0.41 2.92 0.00 -1.99 -0.54 119.26 121.70 3n8k h ALA 56 Ca 0.06 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3n8k h ALA 56 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3n8k h ALA 56 CO -0.01 0.15 0.04 0.37 0.00 0.00 0.00 179.25 179.80 3n8k h GLN 57 N 0.91 0.70 -0.74 0.00 5.75 -1.93 -2.02 115.11 117.77 3n8k h GLN 57 Ca 0.49 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.77 3n8k h GLN 57 Cb 0.53 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 3n8k h GLN 57 CO -0.29 0.76 0.40 -0.07 -2.65 0.00 0.00 178.83 176.98 3n8k h LEU 58 N 0.54 0.93 -0.71 -2.39 3.38 -0.76 -1.97 115.31 114.33 3n8k h LEU 58 Ca 0.12 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3n8k h LEU 58 Cb 0.42 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3n8k h LEU 58 CO 0.01 0.77 0.47 -0.07 0.09 0.00 0.00 178.44 179.71 3n8k h LEU 59 N 1.02 0.81 -0.33 1.67 3.38 -1.01 -1.56 115.31 119.29 3n8k h LEU 59 Ca 0.26 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3n8k h LEU 59 Cb 0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3n8k h LEU 59 CO -0.04 0.58 0.20 -0.78 0.09 0.00 0.00 178.44 178.49 3n8k h ASP 60 N 0.95 0.39 -0.90 -0.43 3.58 -0.93 0.49 116.42 119.56 3n8k h ASP 60 Ca 0.26 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 3n8k h ASP 60 Cb -0.10 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 40.81 3n8k h ASP 60 CO -0.06 0.31 0.48 -0.50 -2.88 0.00 0.00 179.24 176.59 3n8k h TRP 61 N 0.43 1.25 -0.64 0.28 6.55 -1.17 -1.64 115.95 121.01 3n8k h TRP 61 Ca 0.12 -0.04 -0.05 0.00 0.95 0.00 0.00 58.89 59.87 3n8k h TRP 61 Cb -0.01 -0.40 -0.03 0.00 -0.86 0.00 0.00 29.16 27.87 3n8k h TRP 61 CO -0.04 0.87 0.20 0.82 -1.05 0.00 0.00 178.44 179.24 3n8k h ILE 62 N 1.26 1.25 -0.63 1.49 1.08 -0.96 -2.33 117.51 118.67 3n8k h ILE 62 Ca 0.31 -0.84 0.04 0.00 -0.39 0.00 0.00 64.86 63.99 3n8k h ILE 62 Cb 0.05 0.59 -0.05 0.00 -3.07 0.00 0.00 36.82 34.34 3n8k h ILE 62 CO -0.05 0.32 0.37 0.45 -0.69 0.00 0.00 178.15 178.55 3n8k h HIS 63 N 0.92 0.68 -0.57 1.37 3.86 -0.41 -0.79 115.15 120.21 3n8k h HIS 63 Ca 0.21 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.39 3n8k h HIS 63 Cb 0.29 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 3n8k h HIS 63 CO 0.02 0.36 0.17 1.96 0.86 0.00 0.00 177.93 181.30 3n8k h GLN 64 N 0.70 0.89 -0.43 2.45 4.20 -1.19 -1.50 115.11 120.23 3n8k h GLN 64 Ca 0.27 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 3n8k h GLN 64 Cb 0.10 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3n8k h GLN 64 CO -0.14 0.81 -0.03 0.00 -0.67 0.00 0.00 178.83 178.80 3n8k h ALA 65 N 1.04 1.16 -0.50 3.87 0.00 -1.12 -1.22 119.26 122.48 3n8k h ALA 65 Ca 0.18 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3n8k h ALA 65 Cb 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3n8k h ALA 65 CO -0.00 0.54 0.11 0.00 0.00 0.00 0.00 179.25 179.90 3n8k h ALA 66 N 1.31 0.66 -0.09 0.00 0.00 -0.87 -0.34 119.26 119.94 3n8k h ALA 66 Ca 0.13 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3n8k h ALA 66 Cb 0.45 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3n8k h ALA 66 CO 0.02 0.36 -0.41 -0.44 0.00 0.00 0.00 179.25 178.78 3n8k h ASP 67 N 0.69 0.20 0.12 0.00 3.32 -0.99 -2.95 116.42 116.80 3n8k h ASP 67 Ca 0.16 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3n8k h ASP 67 Cb 0.34 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3n8k h ASP 67 CO 0.00 0.59 -0.26 0.00 -1.72 0.00 0.00 179.24 177.85 3n8k n ALA 68 N -2.47 3.10 -3.83 3.45 0.00 -0.49 -4.96 120.51 115.31 3n8k n ALA 68 Ca -0.01 -0.49 -0.27 0.00 0.00 0.00 0.00 53.44 52.67 3n8k n ALA 68 Cb 0.47 -1.04 0.03 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.27 -1.53 -2.88 0.00 0.00 -0.29 -4.99 120.51 110.55 3n8k n ALA 69 Ca 0.12 0.09 -0.36 0.00 0.00 0.00 0.00 53.44 53.29 3n8k n ALA 69 Cb 0.39 -3.71 -0.06 0.00 0.00 0.00 0.00 19.45 16.07 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 -6.40 3.43 0.70 0.00 2.02 -0.31 -4.63 118.70 113.51 3n8k s GLU 70 Ca 0.44 -0.19 -0.16 0.00 0.02 0.00 0.00 54.97 55.09 3n8k s GLU 70 Cb -0.22 -3.16 0.02 0.00 0.10 0.00 0.00 34.13 30.88 3n8k s GLU 70 CO 0.82 0.75 1.20 -1.25 0.02 0.00 0.00 175.26 176.80 3n8k s PRO 71 N -1.26 2.36 -0.05 0.39 0.04 -1.26 -4.68 135.00 130.54 3n8k s PRO 71 Ca 0.18 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.98 3n8k s PRO 71 Cb -0.12 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.57 3n8k s PRO 71 CO 0.08 -1.66 -0.11 0.08 0.04 0.00 0.00 177.00 175.42 3n8k s VAL 72 N -1.95 1.02 -0.29 -0.36 1.01 -0.83 -1.58 120.40 117.42 3n8k s VAL 72 Ca 0.74 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 62.21 3n8k s VAL 72 Cb -0.29 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 3n8k s VAL 72 CO 0.43 0.32 0.10 -0.63 0.00 0.00 0.00 175.10 175.32 3n8k s ILE 73 N 0.54 4.21 -0.16 2.22 1.01 0.13 -0.67 121.20 128.47 3n8k s ILE 73 Ca -0.11 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.05 3n8k s ILE 73 Cb -0.14 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 39.23 3n8k s ILE 73 CO 0.02 0.13 -0.20 -0.22 0.00 0.00 0.00 174.94 174.67 3n8k s LEU 74 N 1.56 2.09 -0.47 2.97 2.96 -0.17 -0.13 118.68 127.50 3n8k s LEU 74 Ca 0.04 -0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 3n8k s LEU 74 Cb -0.17 -1.44 0.12 0.00 0.50 0.00 0.00 46.19 45.20 3n8k s LEU 74 CO 0.04 0.02 0.26 0.21 -1.32 0.00 0.00 176.35 175.56 3n8k s ASN 75 N 1.15 5.18 0.00 3.68 3.84 -0.38 -1.29 114.94 127.13 3n8k s ASN 75 Ca 0.01 -2.29 0.32 0.00 0.21 0.00 0.00 52.86 51.10 3n8k s ASN 75 Cb -0.14 -1.82 1.84 0.00 -0.55 0.00 0.00 41.25 40.58 3n8k s ASN 75 CO -0.09 -0.48 2.19 0.00 -2.79 0.00 0.00 177.10 175.93 3n8k n ALA 76 N 4.23 2.67 -0.89 1.71 0.00 -1.26 0.01 120.51 126.98 3n8k n ALA 76 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3n8k n ALA 76 Cb 0.40 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3n8k n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n8k n GLY 77 N 1.03 3.28 0.24 0.00 0.00 -1.26 -2.46 105.19 106.01 3n8k n GLY 77 Ca 0.23 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.84 103.07 100.27 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 -0.02 1.41 0.00 0.00 0.00 176.54 177.93 3n8k h LEU 79 N 0.00 0.00 -1.01 3.11 3.38 -1.85 -2.91 115.31 116.03 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 0.49 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.13 3n8k h LEU 79 CO 0.03 0.02 0.61 0.74 0.09 0.00 0.00 178.44 179.93 3n8k h THR 80 N 0.00 0.69 -0.01 0.22 2.02 -1.62 0.15 112.91 114.37 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 0.49 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3n8k h THR 80 CO 0.00 0.14 -0.39 1.41 0.37 0.00 0.00 175.52 177.05 3n8k n HIS 81 N -4.78 0.00 0.00 3.16 8.25 -1.10 -1.56 115.22 119.19 3n8k n HIS 81 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 3n8k n HIS 81 Cb 0.59 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.62 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 -0.53 0.00 -3.20 1.59 -2.24 -0.95 -4.81 114.28 104.13 3n8k n THR 82 Ca 0.10 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.45 3n8k n THR 82 Cb 0.39 -0.34 -0.07 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 -1.80 6.22 0.18 3.42 0.15 -0.00 -4.88 113.70 116.99 3n8k s SER 83 Ca 0.00 -0.85 -0.03 0.00 0.70 0.00 0.00 55.95 55.77 3n8k s SER 83 Cb 0.00 -2.27 0.09 0.00 -1.71 0.00 0.00 66.02 62.13 3n8k s SER 83 CO 0.00 -0.81 1.47 0.58 1.20 0.00 0.00 173.24 175.69 3n8k h VAL 84 N 5.83 1.34 -0.64 4.45 2.07 -1.96 -3.05 116.25 124.29 3n8k h VAL 84 Ca -0.27 -1.92 0.06 0.00 0.82 0.00 0.00 66.70 65.38 3n8k h VAL 84 Cb 1.10 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 32.72 3n8k h VAL 84 CO 0.92 0.59 0.34 0.00 0.02 0.00 0.00 177.57 179.44 3n8k h ALA 85 N 0.95 0.84 -0.58 1.67 0.00 -1.98 0.86 119.26 121.02 3n8k h ALA 85 Ca -0.01 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3n8k h ALA 85 Cb 1.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3n8k h ALA 85 CO 0.11 0.01 -0.05 1.25 0.00 0.00 0.00 179.25 180.57 3n8k h LEU 86 N 0.64 1.05 -0.47 0.00 5.85 -1.94 -2.08 115.31 118.35 3n8k h LEU 86 Ca 0.29 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3n8k h LEU 86 Cb 0.19 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3n8k h LEU 86 CO -0.19 1.12 0.27 -0.09 -0.34 0.00 0.00 178.44 179.22 3n8k h ARG 87 N 0.95 0.53 -0.97 1.25 2.43 -1.29 -1.30 114.38 115.97 3n8k h ARG 87 Ca 0.16 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3n8k h ARG 87 Cb 0.61 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 3n8k h ARG 87 CO 0.04 0.35 0.60 -0.44 -1.51 0.00 0.00 179.97 179.01 3n8k h ASP 88 N 0.54 1.14 -0.33 -3.80 3.32 -0.67 -1.35 116.42 115.27 3n8k h ASP 88 Ca 0.19 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 3n8k h ASP 88 Cb 0.03 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3n8k h ASP 88 CO -0.09 0.86 0.08 0.00 -1.72 0.00 0.00 179.24 178.37 3n8k h ALA 89 N 1.34 0.43 0.00 3.45 0.00 -1.06 -2.99 119.26 120.43 3n8k h ALA 89 Ca 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3n8k h ALA 89 Cb -0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3n8k h ALA 89 CO -0.07 0.10 -0.10 0.00 0.00 0.00 0.00 179.25 179.18 3n8k h ALA 91 N 1.90 1.00 0.00 0.00 0.00 -1.10 -2.47 119.26 118.60 3n8k h ALA 91 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3n8k h ALA 91 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3n8k h ALA 91 CO 0.01 0.00 -0.51 0.93 0.00 0.00 0.00 179.25 179.68 3n8k h GLU 92 N 0.00 0.00 -6.66 0.00 5.08 -1.55 -3.46 114.58 107.99 3n8k h GLU 92 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 3n8k h GLU 92 Cb 0.36 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.67 3n8k h GLU 92 CO 0.00 0.51 1.01 -0.51 -1.00 0.00 0.00 179.01 179.02 3n8k s LEU 93 N -6.63 4.37 -0.17 1.33 1.43 -0.93 -4.91 118.68 113.17 3n8k s LEU 93 Ca 0.03 2.86 0.06 0.00 -1.03 0.00 0.00 54.13 56.05 3n8k s LEU 93 Cb 0.09 -3.60 -0.22 0.00 0.03 0.00 0.00 46.19 42.48 3n8k s LEU 93 CO 0.74 -0.97 0.16 -1.54 0.23 0.00 0.00 176.35 174.97 3n8k n SER 94 N 3.96 1.26 -4.86 2.29 3.41 -1.26 -4.94 113.62 113.48 3n8k n SER 94 Ca 0.16 0.09 -0.31 0.00 -0.26 0.00 0.00 58.87 58.54 3n8k n SER 94 Cb 0.35 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.26 3n8k n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n8k s ALA 95 N -2.54 3.01 0.49 7.33 0.00 -1.26 -5.00 121.76 123.79 3n8k s ALA 95 Ca -0.19 -0.01 -0.22 0.00 0.00 0.00 0.00 51.96 51.53 3n8k s ALA 95 Cb 0.07 -3.11 -0.08 0.00 0.00 0.00 0.00 23.12 20.01 3n8k s ALA 95 CO 0.74 -0.74 1.11 -2.30 0.00 0.00 0.00 175.76 174.57 3n8k n PRO 96 N -2.67 1.41 -4.08 0.00 -0.02 -1.26 -4.76 135.00 123.61 3n8k n PRO 96 Ca 0.06 0.51 -0.33 0.00 -2.02 0.00 0.00 63.50 61.73 3n8k n PRO 96 Cb 0.54 -2.24 -0.16 0.00 -0.02 0.00 0.00 33.50 31.63 3n8k n PRO 96 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3n8k s LEU 97 N -1.66 2.47 -0.27 2.45 2.96 -1.26 -1.97 118.68 121.39 3n8k s LEU 97 Ca 0.68 -0.75 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 3n8k s LEU 97 Cb -0.48 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 3n8k s LEU 97 CO 0.53 -0.04 0.06 -0.63 -1.32 0.00 0.00 176.35 174.96 3n8k s ILE 98 N 1.28 4.03 -0.05 6.68 -1.09 0.16 -0.72 121.20 131.48 3n8k s ILE 98 Ca 0.03 -0.49 -0.25 0.00 -2.23 0.00 0.00 60.65 57.70 3n8k s ILE 98 Cb -0.14 -2.98 -0.03 0.00 -1.58 0.00 0.00 42.46 37.72 3n8k s ILE 98 CO -0.10 0.20 0.79 -0.70 -1.23 0.00 0.00 174.94 173.90 3n8k s GLU 99 N 1.54 4.47 -0.06 2.79 2.12 -0.47 -0.99 118.70 128.10 3n8k s GLU 99 Ca 0.04 1.05 0.02 0.00 0.36 0.00 0.00 54.97 56.44 3n8k s GLU 99 Cb -0.16 -3.45 0.01 0.00 0.26 0.00 0.00 34.13 30.79 3n8k s GLU 99 CO 0.02 0.02 -0.12 0.08 -0.54 0.00 0.00 175.26 174.73 3n8k s VAL 100 N 0.89 1.10 -0.03 3.70 1.01 -0.41 -0.44 120.40 126.22 3n8k s VAL 100 Ca 0.42 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.98 3n8k s VAL 100 Cb -0.19 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 3n8k s VAL 100 CO 0.21 0.34 -0.17 -1.00 0.00 0.00 0.00 175.10 174.48 3n8k s HIS 101 N 0.57 1.61 -0.03 5.22 3.76 0.22 -4.06 115.29 122.59 3n8k s HIS 101 Ca -0.12 -0.37 -0.26 0.00 -0.15 0.00 0.00 55.06 54.16 3n8k s HIS 101 Cb -0.15 -1.06 -0.20 0.00 1.11 0.00 0.00 32.58 32.28 3n8k s HIS 101 CO 0.03 -0.08 1.23 0.82 -0.85 0.00 0.00 174.74 175.89 3n8k h ILE 102 N 4.94 1.42 -3.66 0.60 2.04 -1.86 -2.29 117.51 118.69 3n8k h ILE 102 Ca -0.35 -1.26 -0.49 0.00 1.00 0.00 0.00 64.86 63.76 3n8k h ILE 102 Cb 1.16 2.26 0.04 0.00 -0.74 0.00 0.00 36.82 39.54 3n8k h ILE 102 CO 0.48 0.33 0.16 -0.94 0.00 0.00 0.00 178.15 178.18 3n8k s SER 103 N -5.77 6.09 -0.73 1.72 1.04 -1.26 -1.60 113.70 113.20 3n8k s SER 103 Ca -0.16 0.92 -0.27 0.00 0.48 0.00 0.00 55.95 56.92 3n8k s SER 103 Cb 0.01 -2.13 0.02 0.00 0.10 0.00 0.00 66.02 64.02 3n8k s SER 103 CO 0.68 -0.73 1.43 0.21 0.98 0.00 0.00 173.24 175.81 3n8k s ASN 104 N -4.16 5.96 0.45 7.02 3.84 -1.26 -2.34 114.94 124.45 3n8k s ASN 104 Ca 0.50 -0.33 0.31 0.00 0.21 0.00 0.00 52.86 53.55 3n8k s ASN 104 Cb -0.10 -2.55 1.47 0.00 -0.55 0.00 0.00 41.25 39.51 3n8k s ASN 104 CO 0.46 -1.96 1.93 1.62 -2.79 0.00 0.00 177.10 176.36 3n8k h VAL 105 N 6.28 0.00 -0.00 -5.21 3.04 -1.93 -1.75 116.25 116.68 3n8k h VAL 105 Ca -0.25 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 3n8k h VAL 105 Cb 1.07 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 3n8k h VAL 105 CO 1.27 0.00 -0.38 1.41 -1.01 0.00 0.00 177.57 178.87 3n8k n HIS 106 N -2.68 0.00 -0.43 3.17 8.25 -1.26 -3.76 115.22 118.50 3n8k n HIS 106 Ca -0.00 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 3n8k n HIS 106 Cb 0.18 -0.17 0.31 0.00 1.12 0.00 0.00 29.99 31.43 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 -1.02 2.56 -2.90 -1.41 0.00 -0.66 -4.96 120.51 112.12 3n8k n ALA 107 Ca 0.09 -1.39 0.00 0.00 0.00 0.00 0.00 53.44 52.14 3n8k n ALA 107 Cb 0.34 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 1.35 3.29 -2.29 0.00 1.74 -1.25 -5.08 116.66 114.42 3n8k n ARG 108 Ca 0.23 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.95 3n8k n ARG 108 Cb 0.68 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.11 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 4.18 3.80 0.29 5.56 8.01 -1.26 -4.94 118.70 134.34 3n8k s GLU 109 Ca 0.00 1.75 0.03 0.00 0.01 0.00 0.00 54.97 56.76 3n8k s GLU 109 Cb 0.00 -2.42 0.62 0.00 -4.31 0.00 0.00 34.13 28.01 3n8k s GLU 109 CO 0.00 -0.51 1.82 0.93 0.01 0.00 0.00 175.26 177.51 3n8k h GLU 110 N 2.10 0.89 0.00 1.61 4.39 -1.96 -1.21 114.58 120.40 3n8k h GLU 110 Ca -0.49 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.15 3n8k h GLU 110 Cb 1.24 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 3n8k h GLU 110 CO 0.60 0.59 0.00 1.97 -1.16 0.00 0.00 179.01 181.02 3n8k n PHE 111 N -4.67 0.24 1.28 4.33 1.16 -1.26 -1.35 117.46 117.19 3n8k n PHE 111 Ca 0.20 0.11 0.13 0.00 -1.87 0.00 0.00 57.45 56.03 3n8k n PHE 111 Cb 0.43 -0.68 0.42 0.00 -1.61 0.00 0.00 39.48 38.03 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 -1.73 0.88 -0.47 3.97 1.74 -0.46 -4.25 116.66 116.34 3n8k n ARG 112 Ca 0.01 -0.49 0.10 0.00 -0.77 0.00 0.00 57.85 56.69 3n8k n ARG 112 Cb 0.06 -1.49 0.32 0.00 -1.02 0.00 0.00 32.46 30.32 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 -0.63 3.08 -2.54 5.56 1.74 -0.46 -4.52 116.66 118.90 3n8k n ARG 113 Ca 0.13 -2.53 -0.17 0.00 -0.77 0.00 0.00 57.85 54.51 3n8k n ARG 113 Cb 0.34 -1.70 0.02 0.00 -1.02 0.00 0.00 32.46 30.10 3n8k n ARG 113 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3n8k n HIS 114 N 1.22 2.22 -1.59 -1.55 8.25 -1.26 -5.07 115.22 117.44 3n8k n HIS 114 Ca 0.23 -2.78 -0.50 0.00 -0.26 0.00 0.00 57.72 54.41 3n8k n HIS 114 Cb 0.71 -0.24 -0.05 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.35 1.60 0.23 0.41 2.88 -1.26 -4.87 113.62 112.26 3n8k n SER 115 Ca 0.24 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 59.04 3n8k n SER 115 Cb 0.77 -1.23 0.35 0.00 -0.75 0.00 0.00 64.21 63.36 3n8k n SER 115 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3n8k h TYR 116 N 3.94 0.00 0.05 0.66 0.05 -1.60 -3.34 116.97 116.73 3n8k h TYR 116 Ca -0.45 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.02 3n8k h TYR 116 Cb 1.33 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.04 3n8k h TYR 116 CO 0.57 0.06 -1.75 -0.07 -1.05 0.00 0.00 178.16 175.91 3n8k h LEU 117 N 0.00 0.17 -0.62 3.88 3.38 -1.91 -3.40 115.31 116.81 3n8k h LEU 117 Ca -0.00 -0.35 0.13 0.00 0.09 0.00 0.00 57.88 57.75 3n8k h LEU 117 Cb 0.85 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.44 3n8k h LEU 117 CO 0.01 1.31 -0.03 0.28 0.09 0.00 0.00 178.44 180.10 3n8k h SER 118 N 0.03 -0.33 0.22 -0.43 0.02 -1.93 -1.12 113.55 110.00 3n8k h SER 118 Ca -0.31 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3n8k h SER 118 Cb 2.01 0.29 -0.00 0.00 0.14 0.00 0.00 62.40 64.84 3n8k h SER 118 CO 0.09 -0.13 -0.08 -0.65 -1.14 0.00 0.00 176.83 174.92 3n8k h PRO 119 N 0.09 0.00 -0.02 3.45 0.11 -1.79 -2.72 132.00 131.12 3n8k h PRO 119 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 3n8k h PRO 119 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3n8k h PRO 119 CO -0.55 0.08 -0.08 0.44 -0.21 0.00 0.00 178.00 177.68 3n8k n ILE 120 N -3.77 0.00 -2.61 4.15 -6.64 -0.71 -4.97 119.36 104.81 3n8k n ILE 120 Ca -0.02 -0.46 -0.30 0.00 -1.77 0.00 0.00 62.75 60.20 3n8k n ILE 120 Cb 0.18 1.33 -0.02 0.00 -1.44 0.00 0.00 39.64 39.69 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 -1.61 3.27 0.03 -1.28 0.00 -0.51 -4.92 121.76 116.74 3n8k s ALA 121 Ca 0.19 -0.17 -0.25 0.00 0.00 0.00 0.00 51.96 51.74 3n8k s ALA 121 Cb 0.15 -2.81 -0.18 0.00 0.00 0.00 0.00 23.12 20.28 3n8k s ALA 121 CO 0.27 -0.20 1.46 1.15 0.00 0.00 0.00 175.76 178.45 3n8k h THR 122 N 0.73 1.19 -3.34 0.00 2.02 -1.23 -3.48 112.91 108.80 3n8k h THR 122 Ca -0.47 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 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 0.63 0.16 0.05 -0.83 0.37 0.00 0.00 175.52 175.90 3n8k s GLY 123 N -2.74 0.27 -0.03 2.16 0.00 -1.20 -5.05 107.32 100.72 3n8k s GLY 123 Ca -0.15 -0.63 0.02 0.00 0.00 0.00 0.00 44.72 43.96 3n8k s GLY 123 CO 0.66 -0.38 -0.07 0.14 0.00 0.00 0.00 173.10 173.45 3n8k s VAL 124 N -3.89 0.69 -0.15 1.40 1.01 -1.26 -1.36 120.40 116.83 3n8k s VAL 124 Ca 0.17 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3n8k s VAL 124 Cb -0.03 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.72 3n8k s VAL 124 CO 0.08 0.24 -0.21 -0.63 0.00 0.00 0.00 175.10 174.58 3n8k s ILE 125 N 0.46 2.02 -0.01 2.22 1.01 0.41 -4.98 121.20 122.33 3n8k s ILE 125 Ca -0.07 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.67 3n8k s ILE 125 Cb -0.11 -1.81 -0.00 0.00 0.01 0.00 0.00 42.46 40.55 3n8k s ILE 125 CO 0.01 0.54 -0.08 -0.69 0.00 0.00 0.00 174.94 174.71 3n8k s VAL 126 N 1.02 0.69 0.00 2.92 1.01 -1.26 -0.61 120.40 124.17 3n8k s VAL 126 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3n8k s VAL 126 Cb -0.14 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.64 3n8k s VAL 126 CO -0.06 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3n8k n GLY 127 N 3.00 0.72 1.55 4.51 0.00 -0.86 -4.83 105.19 109.29 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 4.61 0.00 0.99 4.77 -1.24 -4.63 117.00 121.50 3n8k n LEU 128 Ca 0.00 -2.33 0.00 0.00 -0.03 0.00 0.00 56.01 53.65 3n8k n LEU 128 Cb 0.00 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 3n8k n LEU 128 CO 0.00 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3n8k n GLY 129 N 0.74 1.39 0.22 -0.72 0.00 -0.62 -3.13 105.19 103.06 3n8k n GLY 129 Ca 0.23 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.72 3n8k n GLY 129 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3n8k h ILE 130 N 0.00 0.97 0.00 -0.61 6.09 -1.89 -2.55 117.51 119.52 3n8k h ILE 130 Ca 0.00 -0.99 -0.00 0.00 -1.37 0.00 0.00 64.86 62.50 3n8k h ILE 130 Cb 0.00 1.57 -0.00 0.00 0.47 0.00 0.00 36.82 38.86 3n8k h ILE 130 CO 0.00 0.26 -0.02 -0.61 -3.07 0.00 0.00 178.15 174.71 3n8k h GLN 131 N 0.00 0.00 -0.91 2.19 4.15 -1.96 -2.64 115.11 115.94 3n8k h GLN 131 Ca -0.00 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.56 3n8k h GLN 131 Cb 0.55 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.14 3n8k h GLN 131 CO 0.03 0.02 0.52 0.78 -1.93 0.00 0.00 178.83 178.25 3n8k h GLY 132 N 1.05 1.51 0.99 2.39 0.00 -1.47 0.63 103.07 108.18 3n8k h GLY 132 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 3n8k h GLY 132 CO 0.00 0.02 0.32 -0.97 0.00 0.00 0.00 176.54 175.91 3n8k h TYR 133 N 0.75 0.70 -0.25 5.60 -1.99 -1.68 -1.78 116.97 118.32 3n8k h TYR 133 Ca 0.49 -0.00 -0.13 0.00 2.00 0.00 0.00 58.73 61.08 3n8k h TYR 133 Cb 0.64 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 3n8k h TYR 133 CO -0.05 0.48 -0.39 -0.07 -0.00 0.00 0.00 178.16 178.13 3n8k h LEU 134 N 0.72 0.62 -0.51 3.88 3.38 -1.35 -2.15 115.31 119.90 3n8k h LEU 134 Ca 0.19 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 3n8k h LEU 134 Cb -0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3n8k h LEU 134 CO -0.04 0.95 -0.53 -0.07 0.09 0.00 0.00 178.44 178.85 3n8k h LEU 135 N 0.49 0.66 -0.88 1.67 3.38 -0.87 -2.37 115.31 117.39 3n8k h LEU 135 Ca 0.04 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 3n8k h LEU 135 Cb 0.89 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3n8k h LEU 135 CO 0.08 1.06 0.19 0.00 0.09 0.00 0.00 178.44 179.86 3n8k h ALA 136 N 0.95 1.09 -0.65 1.53 0.00 -1.15 -1.71 119.26 119.31 3n8k h ALA 136 Ca 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3n8k h ALA 136 Cb 1.07 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3n8k h ALA 136 CO 0.10 0.62 0.35 -0.07 0.00 0.00 0.00 179.25 180.24 3n8k h LEU 137 N 0.98 0.82 -0.92 0.00 3.38 -1.27 -2.58 115.31 115.72 3n8k h LEU 137 Ca 0.21 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3n8k h LEU 137 Cb 0.30 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3n8k h LEU 137 CO -0.01 0.69 0.10 -0.09 0.09 0.00 0.00 178.44 179.22 3n8k h ARG 138 N 0.89 0.89 -0.25 1.13 2.43 -1.12 -1.24 114.38 117.11 3n8k h ARG 138 Ca 0.23 -0.21 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3n8k h ARG 138 Cb 0.06 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3n8k h ARG 138 CO -0.03 0.82 0.06 -0.92 -1.51 0.00 0.00 179.97 178.39 3n8k h TYR 139 N 0.84 0.10 0.00 2.20 3.20 -1.11 -2.44 116.97 119.76 3n8k h TYR 139 Ca 0.18 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 3n8k h TYR 139 Cb 0.36 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3n8k h TYR 139 CO 0.02 0.03 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.11 3n8k h LEU 140 N 0.16 0.00 -0.53 2.82 3.38 -1.06 -0.63 115.31 119.45 3n8k h LEU 140 Ca 0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3n8k h LEU 140 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3n8k h LEU 140 CO -0.14 0.40 -0.23 0.00 0.09 0.00 0.00 178.44 178.55 3n8k h ALA 141 N 1.60 0.72 0.00 1.53 0.00 -1.05 -3.19 119.26 118.88 3n8k h ALA 141 Ca -0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 3n8k h ALA 141 Cb 0.75 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3n8k h ALA 141 CO 0.05 0.67 -0.52 0.93 0.00 0.00 0.00 179.25 180.38 3n8k h GLU 142 N 0.82 0.00 -0.02 0.00 3.07 -1.11 -3.52 114.58 113.82 3n8k h GLU 142 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3n8k h GLU 142 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3n8k h GLU 142 CO 0.07 0.30 0.00 0.72 -1.40 0.00 0.00 179.01 178.69