#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 4.51 -0.12 -0.08 -1.09 -1.26 -1.05 121.20 122.10 3n8k s ILE 4 Ca 0.00 1.90 0.02 0.00 -2.23 0.00 0.00 60.65 60.34 3n8k s ILE 4 Cb 0.00 -4.22 0.01 0.00 -1.58 0.00 0.00 42.46 36.67 3n8k s ILE 4 CO 0.00 0.21 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.04 3n8k s VAL 5 N 0.62 1.80 -0.34 2.92 1.01 0.57 -4.26 120.40 122.72 3n8k s VAL 5 Ca 0.52 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 61.47 3n8k s VAL 5 Cb -0.24 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 3n8k s VAL 5 CO 0.29 0.50 0.63 0.20 0.00 0.00 0.00 175.10 176.72 3n8k s ASN 6 N 0.87 6.45 -0.28 3.32 0.01 -0.65 -0.89 114.94 123.77 3n8k s ASN 6 Ca -0.07 0.26 -0.12 0.00 -0.71 0.00 0.00 52.86 52.21 3n8k s ASN 6 Cb -0.15 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 3n8k s ASN 6 CO -0.01 -0.54 0.26 -0.69 -1.51 0.00 0.00 177.10 174.60 3n8k s VAL 7 N 2.66 5.26 -0.18 1.60 1.01 -0.19 0.14 120.40 130.70 3n8k s VAL 7 Ca 0.25 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.53 3n8k s VAL 7 Cb -0.15 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.66 3n8k s VAL 7 CO 0.14 0.20 -0.18 -0.63 0.00 0.00 0.00 175.10 174.63 3n8k s ILE 8 N 1.87 1.96 -0.10 2.22 1.01 0.16 -1.28 121.20 127.05 3n8k s ILE 8 Ca 0.10 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 3n8k s ILE 8 Cb -0.16 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 3n8k s ILE 8 CO 0.11 0.47 0.00 0.20 0.00 0.00 0.00 174.94 175.72 3n8k s ASN 9 N 1.32 5.23 0.03 3.58 0.01 0.12 -1.26 114.94 123.96 3n8k s ASN 9 Ca 0.04 0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 3n8k s ASN 9 Cb -0.14 -1.56 0.00 0.00 0.41 0.00 0.00 41.25 39.97 3n8k s ASN 9 CO -0.12 0.34 0.00 0.61 -1.51 0.00 0.00 177.10 176.42 3n8k n GLY 10 N 2.43 1.61 3.55 0.66 0.00 0.12 -1.68 105.19 111.88 3n8k n GLY 10 Ca -0.18 -2.02 -0.47 0.00 0.00 0.00 0.00 46.02 43.35 3n8k n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n8k n PRO 11 N -0.26 1.03 -0.55 1.61 -0.02 -1.05 -2.58 135.00 133.18 3n8k n PRO 11 Ca 0.00 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3n8k n PRO 11 Cb 0.00 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 1.59 0.00 0.22 2.55 3.02 -1.26 -4.42 115.26 116.97 3n8k n ASN 12 Ca 0.13 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.80 3n8k n ASN 12 Cb 0.28 -1.06 0.19 0.00 -0.61 0.00 0.00 39.78 38.58 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 -1.87 -2.71 115.31 117.52 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 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3n8k n GLY 14 N 1.08 -1.00 0.62 0.83 0.00 -1.26 -2.97 105.19 102.49 3n8k n GLY 14 Ca 0.04 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 1.70 -1.53 1.61 5.12 -1.02 -4.69 116.66 116.39 3n8k n ARG 15 Ca 0.05 -1.25 -0.43 0.00 -1.93 0.00 0.00 57.85 54.29 3n8k n ARG 15 Cb 0.17 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 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 0.44 1.20 0.00 0.55 4.77 -1.16 -2.38 117.00 120.42 3n8k n LEU 16 Ca 0.14 1.03 0.00 0.00 -0.03 0.00 0.00 56.01 57.16 3n8k n LEU 16 Cb 0.46 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 3n8k n LEU 16 CO 0.20 -2.07 0.00 0.61 -1.33 0.00 0.00 177.39 174.80 3n8k n GLY 17 N 1.47 2.09 0.03 -0.72 0.00 -1.02 -3.75 105.19 103.28 3n8k n GLY 17 Ca 0.11 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 0.15 -2.54 1.61 1.74 -1.23 -4.54 116.66 111.86 3n8k n ARG 18 Ca 0.00 0.03 -0.43 0.00 -0.77 0.00 0.00 57.85 56.68 3n8k n ARG 18 Cb 0.00 -1.58 -0.02 0.00 -1.02 0.00 0.00 32.46 29.84 3n8k n ARG 18 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3n8k s ARG 19 N -3.09 3.93 -0.10 5.56 3.00 -1.00 -4.47 118.95 122.78 3n8k s ARG 19 Ca 0.08 1.05 -0.04 0.00 -1.00 0.00 0.00 55.73 55.82 3n8k s ARG 19 Cb 0.16 -3.83 0.01 0.00 0.00 0.00 0.00 34.95 31.28 3n8k s ARG 19 CO 0.73 -1.09 0.10 0.39 0.00 0.00 0.00 175.30 175.42 3n8k n GLU 20 N 7.25 -0.28 -0.24 5.12 1.02 -1.26 -4.48 120.64 127.77 3n8k n GLU 20 Ca 0.13 0.18 0.07 0.00 -0.02 0.00 0.00 57.16 57.53 3n8k n GLU 20 Cb 0.47 -0.33 0.33 0.00 -0.02 0.00 0.00 31.44 31.90 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 0.78 0.00 3.49 0.11 -1.78 -0.02 132.00 135.09 3n8k h PRO 21 Ca -0.10 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 3n8k h PRO 21 Cb 0.22 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 3n8k h PRO 21 CO 0.05 0.51 -0.15 0.00 -0.21 0.00 0.00 178.00 178.20 3n8k h ALA 22 N 1.58 1.58 0.01 -0.75 0.00 -1.87 0.16 119.26 119.98 3n8k h ALA 22 Ca 0.37 -0.13 -0.30 0.00 0.00 0.00 0.00 54.91 54.85 3n8k h ALA 22 Cb 0.38 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3n8k h ALA 22 CO -0.14 0.18 -1.65 0.28 0.00 0.00 0.00 179.25 177.92 3n8k n VAL 23 N -4.11 1.56 0.74 0.00 0.31 -0.63 -4.71 118.33 111.50 3n8k n VAL 23 Ca -0.02 -0.18 0.07 0.00 -0.01 0.00 0.00 64.34 64.20 3n8k n VAL 23 Cb 0.23 -1.96 -0.09 0.00 -0.91 0.00 0.00 33.84 31.11 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 -4.27 0.00 0.00 3.52 4.01 -0.12 -4.51 117.16 115.79 3n8k n TYR 24 Ca -0.37 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.37 3n8k n TYR 24 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.80 3n8k n TYR 24 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3n8k n GLY 25 N 1.36 -0.13 0.80 2.72 0.00 0.57 -4.77 105.19 105.74 3n8k n GLY 25 Ca 0.03 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.13 0.67 3.72 -0.02 0.00 -1.26 -4.02 105.19 104.14 3n8k n GLY 26 Ca 0.00 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.14 3.88 0.77 2.61 2.01 -1.26 -4.45 115.64 117.06 3n8k s THR 27 Ca 0.25 1.37 -0.12 0.00 0.31 0.00 0.00 61.69 63.49 3n8k s THR 27 Cb 0.19 -3.87 0.05 0.00 0.01 0.00 0.00 72.50 68.88 3n8k s THR 27 CO 0.39 0.11 1.13 0.42 -0.69 0.00 0.00 174.62 175.98 3n8k s THR 28 N 0.99 2.79 0.23 -0.82 -4.23 -1.26 -2.44 115.64 110.90 3n8k s THR 28 Ca 0.59 0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 61.32 3n8k s THR 28 Cb -0.31 -3.21 0.07 0.00 1.34 0.00 0.00 72.50 70.39 3n8k s THR 28 CO 0.30 -0.34 1.68 -0.74 -0.54 0.00 0.00 174.62 174.98 3n8k h HIS 29 N -0.91 0.89 -0.78 3.99 2.76 -1.82 -0.80 115.15 118.47 3n8k h HIS 29 Ca -0.46 -0.17 0.07 0.00 -2.20 0.00 0.00 60.37 57.61 3n8k h HIS 29 Cb 1.29 -0.23 -0.06 0.00 1.55 0.00 0.00 27.41 29.96 3n8k h HIS 29 CO 0.41 0.88 0.46 -0.44 -1.30 0.00 0.00 177.93 177.95 3n8k h ASP 30 N 0.72 0.71 0.46 3.26 3.32 -1.92 0.15 116.42 123.12 3n8k h ASP 30 Ca 0.12 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.04 3n8k h ASP 30 Cb 0.62 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3n8k h ASP 30 CO 0.04 0.45 -0.67 -0.33 -1.72 0.00 0.00 179.24 177.01 3n8k h GLU 31 N 0.84 0.18 -0.41 3.56 5.08 -1.88 -2.84 114.58 119.12 3n8k h GLU 31 Ca 0.35 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3n8k h GLU 31 Cb 0.21 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3n8k h GLU 31 CO -0.19 0.79 0.13 1.25 -1.00 0.00 0.00 179.01 179.99 3n8k h LEU 32 N 0.13 0.59 -0.14 1.33 5.85 -0.54 -1.80 115.31 120.73 3n8k h LEU 32 Ca -0.01 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.52 3n8k h LEU 32 Cb 1.20 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3n8k h LEU 32 CO 0.10 0.64 -0.01 0.58 -0.34 0.00 0.00 178.44 179.41 3n8k h VAL 33 N 0.51 0.90 -0.77 1.05 2.07 -0.94 -1.61 116.25 117.47 3n8k h VAL 33 Ca 0.13 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 3n8k h VAL 33 Cb 0.26 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3n8k h VAL 33 CO -0.00 0.01 0.45 0.00 0.02 0.00 0.00 177.57 178.04 3n8k h ALA 34 N 1.12 0.98 -0.68 1.67 0.00 -1.44 -1.46 119.26 119.45 3n8k h ALA 34 Ca 0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3n8k h ALA 34 Cb 0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3n8k h ALA 34 CO -0.12 0.46 0.25 -0.07 0.00 0.00 0.00 179.25 179.77 3n8k h LEU 35 N 1.05 0.96 -0.22 0.00 3.38 -1.11 -1.83 115.31 117.54 3n8k h LEU 35 Ca 0.27 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3n8k h LEU 35 Cb -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3n8k h LEU 35 CO -0.05 0.89 -0.06 0.40 0.09 0.00 0.00 178.44 179.71 3n8k h ILE 36 N 0.98 1.29 -0.63 1.22 2.04 -1.02 -1.83 117.51 119.56 3n8k h ILE 36 Ca 0.22 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 3n8k h ILE 36 Cb 0.24 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 3n8k h ILE 36 CO -0.01 0.32 0.28 -0.33 0.00 0.00 0.00 178.15 178.41 3n8k h GLU 37 N 0.15 0.92 -0.52 2.37 5.08 -1.23 -0.06 114.58 121.29 3n8k h GLU 37 Ca 0.05 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3n8k h GLU 37 Cb 0.51 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3n8k h GLU 37 CO 0.02 0.75 0.27 -0.09 -1.00 0.00 0.00 179.01 178.96 3n8k h ARG 38 N 0.87 0.73 -0.49 2.33 2.43 -1.33 -2.22 114.38 116.71 3n8k h ARG 38 Ca 0.21 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 3n8k h ARG 38 Cb 0.15 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3n8k h ARG 38 CO -0.02 0.59 -0.12 1.49 -1.51 0.00 0.00 179.97 180.40 3n8k h GLU 39 N 0.69 0.94 -0.80 0.20 4.57 -1.03 -2.26 114.58 116.89 3n8k h GLU 39 Ca 0.18 -0.36 0.06 0.00 -1.18 0.00 0.00 59.36 58.06 3n8k h GLU 39 Cb 0.08 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.56 3n8k h GLU 39 CO -0.03 1.02 0.48 0.00 -1.18 0.00 0.00 179.01 179.31 3n8k h ALA 40 N 0.89 1.09 -0.62 2.92 0.00 -0.90 -2.09 119.26 120.55 3n8k h ALA 40 Ca 0.12 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3n8k h ALA 40 Cb 0.67 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3n8k h ALA 40 CO 0.05 0.21 0.08 0.00 0.00 0.00 0.00 179.25 179.58 3n8k h ALA 41 N 1.39 0.96 0.00 0.00 0.00 -1.23 0.49 119.26 120.87 3n8k h ALA 41 Ca 0.35 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3n8k h ALA 41 Cb 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3n8k h ALA 41 CO -0.17 0.64 -0.12 1.49 0.00 0.00 0.00 179.25 181.09 3n8k h GLU 42 N 0.96 0.00 -0.04 0.00 4.81 -0.86 -2.07 114.58 117.38 3n8k h GLU 42 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3n8k h GLU 42 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3n8k h GLU 42 CO 0.02 0.12 0.00 1.28 -0.73 0.00 0.00 179.01 179.70 3n8k n LEU 43 N -3.92 2.22 -0.30 1.64 4.77 -0.84 -4.94 117.00 115.64 3n8k n LEU 43 Ca -0.02 -0.76 -0.04 0.00 -0.03 0.00 0.00 56.01 55.16 3n8k n LEU 43 Cb 0.22 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3n8k n LEU 43 CO 0.32 0.38 -0.04 0.61 -1.33 0.00 0.00 177.39 177.33 3n8k n GLY 44 N 1.26 0.55 3.80 -0.72 0.00 -0.78 -4.95 105.19 104.34 3n8k n GLY 44 Ca 0.17 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.86 2.93 -0.11 0.99 1.43 0.17 -4.77 118.68 118.46 3n8k s LEU 45 Ca 0.00 -1.17 0.01 0.00 -1.03 0.00 0.00 54.13 51.94 3n8k s LEU 45 Cb 0.00 -1.33 0.02 0.00 0.03 0.00 0.00 46.19 44.90 3n8k s LEU 45 CO 0.00 -0.74 -0.14 -0.75 0.23 0.00 0.00 176.35 174.95 3n8k s LYS 46 N -4.02 2.10 -0.22 1.70 2.20 -0.21 -3.27 119.74 118.01 3n8k s LYS 46 Ca 0.35 -0.51 -0.09 0.00 -0.36 0.00 0.00 55.97 55.36 3n8k s LYS 46 Cb 0.01 -1.84 -0.05 0.00 -1.51 0.00 0.00 37.83 34.45 3n8k s LYS 46 CO 0.20 -0.11 0.12 0.00 -0.36 0.00 0.00 175.35 175.21 3n8k s ALA 47 N 1.12 3.54 -0.42 3.13 0.00 -1.26 -0.31 121.76 127.56 3n8k s ALA 47 Ca -0.04 -0.83 -0.13 0.00 0.00 0.00 0.00 51.96 50.96 3n8k s ALA 47 Cb -0.14 -2.17 0.05 0.00 0.00 0.00 0.00 23.12 20.85 3n8k s ALA 47 CO -0.03 -0.05 0.29 0.08 0.00 0.00 0.00 175.76 176.05 3n8k s VAL 48 N 0.79 4.84 -0.25 0.00 1.01 -0.07 -4.84 120.40 121.89 3n8k s VAL 48 Ca 0.06 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 3n8k s VAL 48 Cb -0.13 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3n8k s VAL 48 CO 0.02 -0.41 0.10 -0.69 0.00 0.00 0.00 175.10 174.12 3n8k s VAL 49 N 1.58 4.61 0.01 2.92 1.01 -1.26 -1.03 120.40 128.25 3n8k s VAL 49 Ca 0.03 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3n8k s VAL 49 Cb -0.21 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 3n8k s VAL 49 CO 0.06 0.33 -0.08 -0.13 0.00 0.00 0.00 175.10 175.29 3n8k s ARG 50 N 1.49 0.58 -0.02 2.72 0.52 -0.40 -5.01 118.95 118.84 3n8k s ARG 50 Ca 0.06 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 54.91 3n8k s ARG 50 Cb -0.15 -0.51 -0.01 0.00 0.52 0.00 0.00 34.95 34.80 3n8k s ARG 50 CO 0.05 0.13 -0.15 -1.14 0.02 0.00 0.00 175.30 174.22 3n8k s GLN 51 N -0.57 1.27 -0.10 3.54 -0.44 -1.26 -0.70 119.66 121.39 3n8k s GLN 51 Ca -0.00 -0.52 -0.14 0.00 -2.50 0.00 0.00 55.36 52.20 3n8k s GLN 51 Cb -0.05 -1.20 0.03 0.00 -1.64 0.00 0.00 33.01 30.16 3n8k s GLN 51 CO 0.00 0.29 0.36 0.45 0.50 0.00 0.00 175.29 176.89 3n8k s SER 52 N -0.24 -0.34 0.00 6.67 0.15 -0.68 -4.99 113.70 114.27 3n8k s SER 52 Ca 0.04 0.56 0.26 0.00 0.70 0.00 0.00 55.95 57.51 3n8k s SER 52 Cb -0.07 0.63 0.72 0.00 -1.71 0.00 0.00 66.02 65.59 3n8k s SER 52 CO -0.00 -0.23 1.55 0.47 1.20 0.00 0.00 173.24 176.23 3n8k n ASP 53 N 2.37 0.58 -4.64 5.45 8.00 -1.26 -2.51 116.55 124.54 3n8k n ASP 53 Ca -0.16 -0.37 -0.39 0.00 0.71 0.00 0.00 54.79 54.58 3n8k n ASP 53 Cb 0.57 0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.71 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 -2.81 6.48 0.18 -2.24 0.15 -1.26 -4.65 113.70 109.55 3n8k s SER 54 Ca 0.17 0.58 -0.13 0.00 0.70 0.00 0.00 55.95 57.27 3n8k s SER 54 Cb 0.18 -2.28 0.10 0.00 -1.71 0.00 0.00 66.02 62.32 3n8k s SER 54 CO 0.61 -0.22 1.84 -0.08 1.20 0.00 0.00 173.24 176.59 3n8k h GLU 55 N 7.72 0.73 -0.82 5.44 4.81 -2.00 -2.50 114.58 127.96 3n8k h GLU 55 Ca -0.32 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 58.94 3n8k h GLU 55 Cb 1.15 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.31 3n8k h GLU 55 CO 0.72 0.48 0.54 0.00 -0.73 0.00 0.00 179.01 180.03 3n8k h ALA 56 N 1.23 1.63 -0.33 2.92 0.00 -2.00 -2.04 119.26 120.67 3n8k h ALA 56 Ca 0.22 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3n8k h ALA 56 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3n8k h ALA 56 CO -0.07 0.24 -0.26 0.37 0.00 0.00 0.00 179.25 179.53 3n8k h GLN 57 N 0.87 0.76 -0.97 0.00 5.75 -1.88 -2.03 115.11 117.62 3n8k h GLN 57 Ca 0.36 -0.38 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3n8k h GLN 57 Cb 0.27 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.78 3n8k h GLN 57 CO -0.13 1.00 0.60 -0.07 -2.65 0.00 0.00 178.83 177.58 3n8k h LEU 58 N 0.54 1.15 -0.59 -2.39 3.38 -1.16 -1.88 115.31 114.34 3n8k h LEU 58 Ca 0.06 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3n8k h LEU 58 Cb 0.82 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3n8k h LEU 58 CO 0.07 0.86 0.38 -0.07 0.09 0.00 0.00 178.44 179.77 3n8k h LEU 59 N 1.33 0.64 -0.20 1.67 3.38 -1.18 -0.84 115.31 120.11 3n8k h LEU 59 Ca 0.35 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.33 3n8k h LEU 59 Cb -0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3n8k h LEU 59 CO -0.07 0.45 0.09 -0.78 0.09 0.00 0.00 178.44 178.22 3n8k h ASP 60 N 0.76 0.13 -0.64 -0.43 3.58 -0.89 0.13 116.42 119.05 3n8k h ASP 60 Ca 0.23 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.64 3n8k h ASP 60 Cb -0.04 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 3n8k h ASP 60 CO -0.07 0.10 0.23 -0.50 -2.88 0.00 0.00 179.24 176.12 3n8k h TRP 61 N 0.20 1.03 -0.38 0.28 6.55 -1.15 -0.24 115.95 122.23 3n8k h TRP 61 Ca 0.08 -0.08 -0.02 0.00 0.95 0.00 0.00 58.89 59.82 3n8k h TRP 61 Cb 0.03 -0.31 -0.02 0.00 -0.86 0.00 0.00 29.16 28.00 3n8k h TRP 61 CO -0.10 0.81 0.16 0.82 -1.05 0.00 0.00 178.44 179.07 3n8k h ILE 62 N 0.98 1.19 -0.60 1.49 1.08 -0.91 -1.21 117.51 119.53 3n8k h ILE 62 Ca 0.22 -0.58 0.03 0.00 -0.39 0.00 0.00 64.86 64.14 3n8k h ILE 62 Cb 0.24 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 3n8k h ILE 62 CO -0.01 0.21 0.35 0.45 -0.69 0.00 0.00 178.15 178.46 3n8k h HIS 63 N 0.48 0.65 -0.40 1.37 3.86 -0.45 -0.35 115.15 120.31 3n8k h HIS 63 Ca 0.13 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 3n8k h HIS 63 Cb 0.18 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 3n8k h HIS 63 CO -0.00 0.36 -0.14 1.96 0.86 0.00 0.00 177.93 180.96 3n8k h GLN 64 N 0.68 0.74 -0.02 2.45 4.20 -0.93 -1.32 115.11 120.91 3n8k h GLN 64 Ca 0.25 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 3n8k h GLN 64 Cb 0.07 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3n8k h GLN 64 CO -0.12 0.85 -0.46 0.00 -0.67 0.00 0.00 178.83 178.43 3n8k h ALA 65 N 1.18 1.21 -0.23 3.87 0.00 -0.79 -1.45 119.26 123.04 3n8k h ALA 65 Ca 0.11 -0.42 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 3n8k h ALA 65 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3n8k h ALA 65 CO 0.04 0.58 -0.55 0.00 0.00 0.00 0.00 179.25 179.33 3n8k h ALA 66 N 1.50 0.38 -0.26 0.00 0.00 -0.67 0.12 119.26 120.33 3n8k h ALA 66 Ca -0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 3n8k h ALA 66 Cb 0.82 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3n8k h ALA 66 CO 0.06 0.59 -0.33 -0.44 0.00 0.00 0.00 179.25 179.13 3n8k h ASP 67 N 0.52 0.57 0.23 0.00 3.32 -1.14 -2.96 116.42 116.97 3n8k h ASP 67 Ca -0.00 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.82 3n8k h ASP 67 Cb 1.16 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3n8k h ASP 67 CO 0.12 0.87 -0.16 0.00 -1.72 0.00 0.00 179.24 178.34 3n8k n ALA 68 N -2.50 2.89 -3.84 3.45 0.00 -0.56 -4.95 120.51 115.01 3n8k n ALA 68 Ca -0.01 -0.36 -0.28 0.00 0.00 0.00 0.00 53.44 52.79 3n8k n ALA 68 Cb 0.47 -1.21 0.04 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.63 -1.37 -2.88 0.00 0.00 -0.59 -4.99 120.51 110.06 3n8k n ALA 69 Ca 0.14 0.19 -0.35 0.00 0.00 0.00 0.00 53.44 53.42 3n8k n ALA 69 Cb 0.32 -4.40 -0.06 0.00 0.00 0.00 0.00 19.45 15.31 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 -6.50 3.40 0.77 0.00 2.02 -0.07 -4.65 118.70 113.67 3n8k s GLU 70 Ca 0.58 -0.23 -0.13 0.00 0.02 0.00 0.00 54.97 55.20 3n8k s GLU 70 Cb -0.29 -3.12 0.06 0.00 0.10 0.00 0.00 34.13 30.89 3n8k s GLU 70 CO 0.81 0.73 1.17 -1.25 0.02 0.00 0.00 175.26 176.74 3n8k s PRO 71 N -1.42 1.96 -0.06 0.39 0.04 -1.26 -4.69 135.00 129.96 3n8k s PRO 71 Ca 0.20 1.60 0.01 0.00 0.04 0.00 0.00 61.00 62.85 3n8k s PRO 71 Cb -0.12 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.61 3n8k s PRO 71 CO 0.10 -1.94 -0.06 0.08 0.04 0.00 0.00 177.00 175.23 3n8k s VAL 72 N -2.29 0.70 -0.36 -0.36 1.01 -0.71 -1.63 120.40 116.75 3n8k s VAL 72 Ca 0.70 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.39 3n8k s VAL 72 Cb -0.25 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.42 3n8k s VAL 72 CO 0.49 0.28 0.21 -0.63 0.00 0.00 0.00 175.10 175.45 3n8k s ILE 73 N 1.13 4.72 -0.18 2.22 1.01 0.12 -0.47 121.20 129.75 3n8k s ILE 73 Ca -0.07 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.87 3n8k s ILE 73 Cb -0.14 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.76 3n8k s ILE 73 CO -0.01 -0.17 -0.15 -0.22 0.00 0.00 0.00 174.94 174.39 3n8k s LEU 74 N 1.59 2.42 -0.48 2.97 2.96 0.30 -0.66 118.68 127.78 3n8k s LEU 74 Ca 0.03 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 3n8k s LEU 74 Cb -0.19 -1.57 0.13 0.00 0.50 0.00 0.00 46.19 45.06 3n8k s LEU 74 CO 0.07 0.02 0.25 0.21 -1.32 0.00 0.00 176.35 175.58 3n8k s ASN 75 N 1.23 4.87 0.00 3.68 3.84 -0.39 -1.55 114.94 126.61 3n8k s ASN 75 Ca 0.03 -2.57 0.29 0.00 0.21 0.00 0.00 52.86 50.82 3n8k s ASN 75 Cb -0.14 -1.74 1.59 0.00 -0.55 0.00 0.00 41.25 40.41 3n8k s ASN 75 CO -0.07 -0.37 2.05 0.00 -2.79 0.00 0.00 177.10 175.92 3n8k n ALA 76 N 3.79 2.50 -0.81 1.71 0.00 -1.26 0.15 120.51 126.58 3n8k n ALA 76 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3n8k n ALA 76 Cb 0.38 -1.48 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 1.04 3.09 0.24 0.00 0.00 -1.26 -2.77 105.19 105.53 3n8k n GLY 77 Ca 0.17 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 0.32 2.00 -0.02 0.00 -1.95 -2.89 103.07 100.53 3n8k h GLY 78 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3n8k h GLY 78 CO 0.00 0.19 0.00 1.41 0.00 0.00 0.00 176.54 178.14 3n8k h LEU 79 N 0.28 0.00 -1.36 3.11 3.38 -1.90 -2.49 115.31 116.34 3n8k h LEU 79 Ca 0.05 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.23 3n8k h LEU 79 Cb 0.43 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 3n8k h LEU 79 CO 0.03 0.00 0.61 0.74 0.09 0.00 0.00 178.44 179.91 3n8k h THR 80 N 0.00 0.68 -0.02 0.22 2.02 -1.65 -1.10 112.91 113.07 3n8k h THR 80 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3n8k h THR 80 Cb 0.23 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3n8k h THR 80 CO 0.00 0.09 -0.38 1.41 0.37 0.00 0.00 175.52 177.01 3n8k n HIS 81 N -4.58 0.00 0.00 3.16 8.25 -0.94 -1.54 115.22 119.57 3n8k n HIS 81 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 3n8k n HIS 81 Cb 0.67 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.78 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 0.13 0.00 -3.14 1.59 -2.24 -1.05 -4.81 114.28 104.76 3n8k n THR 82 Ca 0.09 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.43 3n8k n THR 82 Cb 0.45 -0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 68.13 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 -2.05 6.23 0.20 3.42 0.15 -0.44 -4.88 113.70 116.33 3n8k s SER 83 Ca 0.00 -0.91 -0.02 0.00 0.70 0.00 0.00 55.95 55.71 3n8k s SER 83 Cb 0.00 -2.30 0.14 0.00 -1.71 0.00 0.00 66.02 62.15 3n8k s SER 83 CO 0.00 -0.92 1.53 0.58 1.20 0.00 0.00 173.24 175.63 3n8k h VAL 84 N 5.87 1.32 -1.00 4.45 2.07 -1.96 -3.13 116.25 123.86 3n8k h VAL 84 Ca -0.28 -1.74 0.06 0.00 0.82 0.00 0.00 66.70 65.56 3n8k h VAL 84 Cb 1.09 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 32.52 3n8k h VAL 84 CO 0.98 0.54 0.65 0.00 0.02 0.00 0.00 177.57 179.76 3n8k h ALA 85 N 1.01 1.38 -0.41 1.67 0.00 -1.98 0.08 119.26 121.01 3n8k h ALA 85 Ca 0.02 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3n8k h ALA 85 Cb 1.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3n8k h ALA 85 CO 0.10 0.48 -0.34 1.25 0.00 0.00 0.00 179.25 180.74 3n8k h LEU 86 N 1.21 1.00 -0.55 0.00 5.85 -1.94 -2.16 115.31 118.71 3n8k h LEU 86 Ca 0.42 -0.43 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3n8k h LEU 86 Cb 0.11 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3n8k h LEU 86 CO -0.15 1.23 0.34 -0.09 -0.34 0.00 0.00 178.44 179.43 3n8k h ARG 87 N 0.78 0.66 -0.64 1.25 2.43 -1.35 -1.67 114.38 115.85 3n8k h ARG 87 Ca 0.07 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3n8k h ARG 87 Cb 0.93 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 3n8k h ARG 87 CO 0.09 0.43 0.23 -0.44 -1.51 0.00 0.00 179.97 178.77 3n8k h ASP 88 N 0.68 0.87 -0.56 -3.80 3.32 -0.86 -2.14 116.42 113.93 3n8k h ASP 88 Ca 0.22 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 3n8k h ASP 88 Cb 0.00 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3n8k h ASP 88 CO -0.09 0.80 0.02 0.00 -1.72 0.00 0.00 179.24 178.25 3n8k h ALA 89 N 1.33 0.75 0.00 3.45 0.00 -1.15 -3.01 119.26 120.63 3n8k h ALA 89 Ca 0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3n8k h ALA 89 Cb 0.22 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3n8k h ALA 89 CO -0.01 0.56 -0.07 0.00 0.00 0.00 0.00 179.25 179.72 3n8k h ALA 91 N 1.93 1.09 0.00 0.00 0.00 -1.25 -2.42 119.26 118.60 3n8k h ALA 91 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3n8k h ALA 91 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3n8k h ALA 91 CO 0.01 0.04 0.00 0.93 0.00 0.00 0.00 179.25 180.23 3n8k h GLU 92 N 0.00 0.00 -6.35 0.00 5.08 -1.65 -3.46 114.58 108.20 3n8k h GLU 92 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 3n8k h GLU 92 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3n8k h GLU 92 CO 0.00 0.00 0.98 -0.51 -1.00 0.00 0.00 179.01 178.48 3n8k s LEU 93 N -5.04 4.33 -0.01 1.33 1.43 -0.91 -4.87 118.68 114.93 3n8k s LEU 93 Ca 0.09 2.26 0.13 0.00 -1.03 0.00 0.00 54.13 55.58 3n8k s LEU 93 Cb 0.10 -3.55 -0.20 0.00 0.03 0.00 0.00 46.19 42.56 3n8k s LEU 93 CO 0.59 -0.85 0.73 0.77 0.23 0.00 0.00 176.35 177.82 3n8k h SER 94 N 8.61 0.00 -3.73 2.29 4.64 -1.89 -3.47 113.55 119.99 3n8k h SER 94 Ca -0.39 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.43 3n8k h SER 94 Cb 1.18 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.31 3n8k h SER 94 CO 0.93 0.89 0.17 0.00 -0.87 0.00 0.00 176.83 177.96 3n8k s ALA 95 N -2.68 3.34 0.35 5.18 0.00 -1.26 -5.01 121.76 121.67 3n8k s ALA 95 Ca -0.04 -0.41 -0.27 0.00 0.00 0.00 0.00 51.96 51.24 3n8k s ALA 95 Cb 0.08 -2.69 -0.12 0.00 0.00 0.00 0.00 23.12 20.39 3n8k s ALA 95 CO 0.82 -0.40 1.20 -2.30 0.00 0.00 0.00 175.76 175.08 3n8k n PRO 96 N -2.31 1.85 -4.03 0.00 -0.02 -1.26 -4.76 135.00 124.47 3n8k n PRO 96 Ca 0.02 0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 61.81 3n8k n PRO 96 Cb 0.55 -2.21 -0.15 0.00 -0.02 0.00 0.00 33.50 31.67 3n8k n PRO 96 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3n8k s LEU 97 N -0.78 2.76 -0.23 2.45 2.96 -1.26 -1.74 118.68 122.84 3n8k s LEU 97 Ca 0.58 -0.79 -0.05 0.00 -0.22 0.00 0.00 54.13 53.65 3n8k s LEU 97 Cb -0.58 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 3n8k s LEU 97 CO 0.60 -0.07 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.93 3n8k s ILE 98 N 1.30 3.66 -0.10 6.68 -1.09 0.38 -0.05 121.20 131.99 3n8k s ILE 98 Ca 0.02 -0.44 -0.25 0.00 -2.23 0.00 0.00 60.65 57.76 3n8k s ILE 98 Cb -0.15 -2.70 -0.03 0.00 -1.58 0.00 0.00 42.46 38.00 3n8k s ILE 98 CO -0.08 0.37 0.77 -0.70 -1.23 0.00 0.00 174.94 174.07 3n8k s GLU 99 N 1.51 4.40 -0.05 2.79 2.12 -0.23 -0.54 118.70 128.70 3n8k s GLU 99 Ca 0.06 0.97 0.04 0.00 0.36 0.00 0.00 54.97 56.40 3n8k s GLU 99 Cb -0.15 -3.50 -0.00 0.00 0.26 0.00 0.00 34.13 30.74 3n8k s GLU 99 CO -0.01 -0.09 -0.18 0.08 -0.54 0.00 0.00 175.26 174.52 3n8k s VAL 100 N 1.31 1.51 -0.02 3.70 1.01 -0.60 -0.45 120.40 126.86 3n8k s VAL 100 Ca 0.39 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.65 3n8k s VAL 100 Cb -0.18 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 3n8k s VAL 100 CO 0.17 0.43 -0.13 -1.00 0.00 0.00 0.00 175.10 174.57 3n8k s HIS 101 N 0.08 1.28 -0.00 5.22 3.76 0.32 -4.11 115.29 121.83 3n8k s HIS 101 Ca -0.05 -0.31 -0.25 0.00 -0.15 0.00 0.00 55.06 54.30 3n8k s HIS 101 Cb -0.12 -0.86 -0.18 0.00 1.11 0.00 0.00 32.58 32.53 3n8k s HIS 101 CO 0.03 -0.09 1.27 0.82 -0.85 0.00 0.00 174.74 175.92 3n8k h ILE 102 N 5.12 1.06 -4.05 0.60 2.04 -1.86 -2.34 117.51 118.08 3n8k h ILE 102 Ca -0.33 -0.83 -0.50 0.00 1.00 0.00 0.00 64.86 64.20 3n8k h ILE 102 Cb 1.17 1.57 0.04 0.00 -0.74 0.00 0.00 36.82 38.85 3n8k h ILE 102 CO 0.48 0.19 0.30 -0.94 0.00 0.00 0.00 178.15 178.19 3n8k s SER 103 N -5.40 6.36 -0.66 1.72 1.04 -1.26 -1.78 113.70 113.72 3n8k s SER 103 Ca -0.15 1.30 -0.27 0.00 0.48 0.00 0.00 55.95 57.31 3n8k s SER 103 Cb 0.02 -2.41 0.01 0.00 0.10 0.00 0.00 66.02 63.75 3n8k s SER 103 CO 0.61 -0.68 1.44 0.21 0.98 0.00 0.00 173.24 175.81 3n8k s ASN 104 N -3.77 5.96 0.49 7.02 3.84 -1.26 -2.24 114.94 124.99 3n8k s ASN 104 Ca 0.54 -0.06 0.32 0.00 0.21 0.00 0.00 52.86 53.87 3n8k s ASN 104 Cb -0.11 -2.55 1.42 0.00 -0.55 0.00 0.00 41.25 39.46 3n8k s ASN 104 CO 0.44 -1.91 1.96 1.62 -2.79 0.00 0.00 177.10 176.42 3n8k h VAL 105 N 6.32 0.00 0.00 -5.21 3.04 -1.92 -2.24 116.25 116.24 3n8k h VAL 105 Ca -0.27 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 3n8k h VAL 105 Cb 1.09 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 3n8k h VAL 105 CO 1.24 0.00 -0.55 1.41 -1.01 0.00 0.00 177.57 178.66 3n8k n HIS 106 N -2.87 0.34 1.33 3.17 8.25 -1.26 -3.47 115.22 120.72 3n8k n HIS 106 Ca 0.00 0.10 0.13 0.00 -0.26 0.00 0.00 57.72 57.70 3n8k n HIS 106 Cb 0.25 -0.52 0.39 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.70 2.68 -2.32 -1.41 0.00 -0.84 -4.93 120.51 111.97 3n8k n ALA 107 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3n8k n ALA 107 Cb 0.40 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3n8k n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3n8k n ARG 108 N 0.29 3.91 -2.01 0.00 1.74 -1.23 -5.08 116.66 114.29 3n8k n ARG 108 Ca 0.16 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.88 3n8k n ARG 108 Cb 0.41 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.88 3n8k n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3n8k s GLU 109 N 3.49 3.02 0.31 5.56 8.01 -1.26 -4.93 118.70 132.90 3n8k s GLU 109 Ca 0.00 1.86 0.02 0.00 0.01 0.00 0.00 54.97 56.86 3n8k s GLU 109 Cb 0.00 -1.98 0.57 0.00 -4.31 0.00 0.00 34.13 28.42 3n8k s GLU 109 CO 0.00 -1.17 1.91 1.49 0.01 0.00 0.00 175.26 177.49 3n8k h GLU 110 N 0.99 0.95 0.00 1.61 4.57 -1.95 -2.10 114.58 118.64 3n8k h GLU 110 Ca -0.50 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.62 3n8k h GLU 110 Cb 1.30 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3n8k h GLU 110 CO 0.55 0.63 0.00 1.97 -1.18 0.00 0.00 179.01 180.98 3n8k n PHE 111 N -4.50 0.06 1.08 0.92 1.16 -1.26 -1.66 117.46 113.26 3n8k n PHE 111 Ca 0.14 0.02 0.12 0.00 -1.87 0.00 0.00 57.45 55.87 3n8k n PHE 111 Cb 0.24 -0.54 0.23 0.00 -1.61 0.00 0.00 39.48 37.79 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 -1.55 0.37 -0.14 3.97 1.74 -0.79 -4.32 116.66 115.94 3n8k n ARG 112 Ca 0.02 -0.24 0.09 0.00 -0.77 0.00 0.00 57.85 56.94 3n8k n ARG 112 Cb 0.10 -1.49 0.27 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 -1.10 1.86 -2.67 5.56 1.74 -0.66 -4.46 116.66 116.93 3n8k n ARG 113 Ca 0.08 -1.32 -0.19 0.00 -0.77 0.00 0.00 57.85 55.65 3n8k n ARG 113 Cb 0.35 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 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 0.55 2.32 -1.59 -1.55 8.25 -1.26 -5.05 115.22 116.88 3n8k n HIS 114 Ca 0.15 -3.17 -0.47 0.00 -0.26 0.00 0.00 57.72 53.97 3n8k n HIS 114 Cb 0.35 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.22 1.48 0.21 0.41 2.88 -1.26 -4.86 113.62 112.26 3n8k n SER 115 Ca 0.26 1.15 0.10 0.00 -1.33 0.00 0.00 58.87 59.05 3n8k n SER 115 Cb 0.69 -1.26 0.28 0.00 -0.75 0.00 0.00 64.21 63.17 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 3.13 0.00 0.01 0.66 0.05 -1.60 -3.34 116.97 115.88 3n8k h TYR 116 Ca -0.42 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.06 3n8k h TYR 116 Cb 1.33 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 39.03 3n8k h TYR 116 CO 0.53 0.15 -1.73 1.28 -1.05 0.00 0.00 178.16 177.33 3n8k n LEU 117 N -3.18 0.98 -0.21 3.88 4.77 -1.26 -4.39 117.00 117.60 3n8k n LEU 117 Ca 0.02 0.40 0.02 0.00 -0.03 0.00 0.00 56.01 56.42 3n8k n LEU 117 Cb 0.52 0.09 0.13 0.00 -2.33 0.00 0.00 43.42 41.83 3n8k n LEU 117 CO 0.34 0.42 0.92 0.28 -1.33 0.00 0.00 177.39 178.03 3n8k h SER 118 N 0.00 0.01 0.54 -1.43 0.02 -1.93 -0.90 113.55 109.87 3n8k h SER 118 Ca -0.30 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3n8k h SER 118 Cb 2.02 0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.72 3n8k h SER 118 CO 0.08 0.00 0.00 -0.65 -1.14 0.00 0.00 176.83 175.12 3n8k h PRO 119 N 0.27 0.00 0.00 3.45 0.11 -1.79 -2.99 132.00 131.05 3n8k h PRO 119 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3n8k h PRO 119 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3n8k h PRO 119 CO -0.43 0.00 -0.53 0.44 -0.21 0.00 0.00 178.00 177.27 3n8k n ILE 120 N -2.44 0.00 -1.63 4.15 -5.35 -0.73 -5.02 119.36 108.35 3n8k n ILE 120 Ca 0.01 -0.27 -0.31 0.00 -0.27 0.00 0.00 62.75 61.91 3n8k n ILE 120 Cb 0.18 0.95 0.06 0.00 -1.74 0.00 0.00 39.64 39.09 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 -1.98 2.63 -0.00 -1.28 0.00 -0.42 -4.93 121.76 115.77 3n8k s ALA 121 Ca 0.03 -0.05 -0.24 0.00 0.00 0.00 0.00 51.96 51.70 3n8k s ALA 121 Cb 0.07 -3.13 -0.19 0.00 0.00 0.00 0.00 23.12 19.88 3n8k s ALA 121 CO 0.40 -1.30 1.26 1.15 0.00 0.00 0.00 175.76 177.28 3n8k h THR 122 N -0.77 1.40 -3.37 0.00 2.02 -0.78 -3.48 112.91 107.93 3n8k h THR 122 Ca -0.45 -1.32 -0.02 0.00 0.77 0.00 0.00 66.41 65.39 3n8k h THR 122 Cb 1.23 2.15 -0.09 0.00 -1.74 0.00 0.00 68.15 69.70 3n8k h THR 122 CO 0.59 0.36 0.01 -0.83 0.37 0.00 0.00 175.52 176.02 3n8k s GLY 123 N -3.38 0.11 -0.07 2.16 0.00 -1.19 -5.05 107.32 99.91 3n8k s GLY 123 Ca -0.15 -0.45 0.02 0.00 0.00 0.00 0.00 44.72 44.13 3n8k s GLY 123 CO 0.71 -0.36 -0.11 0.14 0.00 0.00 0.00 173.10 173.49 3n8k s VAL 124 N -3.93 1.05 -0.19 1.40 1.01 -1.26 -1.07 120.40 117.42 3n8k s VAL 124 Ca 0.14 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 3n8k s VAL 124 Cb -0.02 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 3n8k s VAL 124 CO 0.02 0.34 -0.11 -0.63 0.00 0.00 0.00 175.10 174.72 3n8k s ILE 125 N 0.80 2.87 -0.02 2.22 1.01 0.40 -4.98 121.20 123.50 3n8k s ILE 125 Ca -0.12 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.87 3n8k s ILE 125 Cb -0.15 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.07 3n8k s ILE 125 CO 0.02 0.48 -0.07 -0.69 0.00 0.00 0.00 174.94 174.68 3n8k s VAL 126 N 1.18 0.64 0.00 2.92 1.01 -1.26 -0.52 120.40 124.37 3n8k s VAL 126 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3n8k s VAL 126 Cb -0.14 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.66 3n8k s VAL 126 CO -0.04 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3n8k n GLY 127 N 3.37 0.72 1.70 4.51 0.00 -0.88 -4.79 105.19 109.82 3n8k n GLY 127 Ca -0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 5.08 0.00 0.99 4.77 -1.23 -4.59 117.00 122.02 3n8k n LEU 128 Ca 0.00 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.40 3n8k n LEU 128 Cb 0.00 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 3n8k n LEU 128 CO 0.00 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3n8k n GLY 129 N 0.64 1.27 0.21 -0.72 0.00 -0.73 -3.21 105.19 102.64 3n8k n GLY 129 Ca 0.24 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.68 3n8k n GLY 129 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3n8k h ILE 130 N 0.00 1.12 0.00 -0.61 6.09 -1.90 -2.75 117.51 119.46 3n8k h ILE 130 Ca 0.00 -0.96 -0.02 0.00 -1.37 0.00 0.00 64.86 62.51 3n8k h ILE 130 Cb 0.00 1.53 -0.00 0.00 0.47 0.00 0.00 36.82 38.82 3n8k h ILE 130 CO 0.00 0.27 -0.07 -0.61 -3.07 0.00 0.00 178.15 174.66 3n8k h GLN 131 N 0.00 0.00 -0.95 2.19 4.15 -1.97 -2.81 115.11 115.73 3n8k h GLN 131 Ca -0.00 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.60 3n8k h GLN 131 Cb 0.51 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.09 3n8k h GLN 131 CO 0.04 0.07 0.54 0.78 -1.93 0.00 0.00 178.83 178.33 3n8k h GLY 132 N 1.00 1.65 1.00 2.39 0.00 -1.50 0.43 103.07 108.04 3n8k h GLY 132 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3n8k h GLY 132 CO 0.01 -0.08 0.36 -0.97 0.00 0.00 0.00 176.54 175.86 3n8k h TYR 133 N 0.68 0.91 -0.19 5.60 -1.99 -1.71 -1.68 116.97 118.60 3n8k h TYR 133 Ca 0.54 -0.02 -0.15 0.00 2.00 0.00 0.00 58.73 61.11 3n8k h TYR 133 Cb 0.85 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 39.28 3n8k h TYR 133 CO -0.04 0.65 -0.49 -0.07 -0.00 0.00 0.00 178.16 178.20 3n8k h LEU 134 N 0.90 0.54 -0.65 3.88 3.38 -1.26 -1.96 115.31 120.15 3n8k h LEU 134 Ca 0.23 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 3n8k h LEU 134 Cb 0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3n8k h LEU 134 CO -0.04 0.95 -0.40 -0.07 0.09 0.00 0.00 178.44 178.98 3n8k h LEU 135 N 0.40 0.63 -0.64 1.67 3.38 -0.92 -2.03 115.31 117.80 3n8k h LEU 135 Ca 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3n8k h LEU 135 Cb 1.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 3n8k h LEU 135 CO 0.09 0.96 0.35 0.00 0.09 0.00 0.00 178.44 179.93 3n8k h ALA 136 N 1.07 0.82 -0.90 1.53 0.00 -1.10 -1.58 119.26 119.09 3n8k h ALA 136 Ca 0.04 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3n8k h ALA 136 Cb 0.90 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3n8k h ALA 136 CO 0.08 0.34 0.60 -0.07 0.00 0.00 0.00 179.25 180.20 3n8k h LEU 137 N 0.87 1.04 -0.85 0.00 3.38 -1.19 -2.29 115.31 116.27 3n8k h LEU 137 Ca 0.22 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 3n8k h LEU 137 Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3n8k h LEU 137 CO -0.04 0.75 -0.28 -0.09 0.09 0.00 0.00 178.44 178.88 3n8k h ARG 138 N 1.22 0.53 -0.22 1.13 2.43 -1.01 0.12 114.38 118.58 3n8k h ARG 138 Ca 0.33 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3n8k h ARG 138 Cb -0.14 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3n8k h ARG 138 CO -0.07 0.76 0.14 -0.92 -1.51 0.00 0.00 179.97 178.37 3n8k h TYR 139 N 0.46 0.28 -0.03 2.20 3.20 -1.03 -2.71 116.97 119.34 3n8k h TYR 139 Ca 0.06 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 3n8k h TYR 139 Cb 0.72 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3n8k h TYR 139 CO 0.03 0.19 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.28 3n8k h LEU 140 N 0.29 0.07 -1.22 2.82 3.38 -0.94 -2.45 115.31 117.26 3n8k h LEU 140 Ca 0.08 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3n8k h LEU 140 Cb -0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3n8k h LEU 140 CO -0.02 0.45 0.21 0.00 0.09 0.00 0.00 178.44 179.17 3n8k h ALA 141 N 1.56 1.39 -2.42 1.53 0.00 -0.64 -3.40 119.26 117.28 3n8k h ALA 141 Ca 0.00 -0.14 -0.47 0.00 0.00 0.00 0.00 54.91 54.30 3n8k h ALA 141 Cb 0.71 -0.21 0.08 0.00 0.00 0.00 0.00 17.79 18.36 3n8k h ALA 141 CO 0.05 0.46 0.31 -2.00 0.00 0.00 0.00 179.25 178.08 3n8k s GLU 142 N -5.35 2.51 0.00 0.00 2.56 -0.92 -5.10 118.70 112.40 3n8k s GLU 142 Ca -0.09 0.10 0.00 0.00 0.00 0.00 0.00 54.97 54.97 3n8k s GLU 142 Cb 0.16 -2.10 0.00 0.00 2.00 0.00 0.00 34.13 34.19 3n8k s GLU 142 CO 0.78 -1.13 0.00 0.72 -0.56 0.00 0.00 175.26 175.06