#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n8k s ILE 4 N 0.00 5.17 -0.18 1.96 1.09 -1.26 -1.81 121.20 126.17 3n8k s ILE 4 Ca 0.00 0.79 -0.02 0.00 -1.10 0.00 0.00 60.65 60.32 3n8k s ILE 4 Cb 0.00 -3.77 -0.01 0.00 -1.06 0.00 0.00 42.46 37.62 3n8k s ILE 4 CO 0.00 0.22 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.29 3n8k s VAL 5 N 1.43 3.24 -0.25 2.92 1.01 0.79 -3.95 120.40 125.59 3n8k s VAL 5 Ca 0.21 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 3n8k s VAL 5 Cb -0.15 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3n8k s VAL 5 CO 0.09 0.48 0.46 0.20 0.00 0.00 0.00 175.10 176.32 3n8k s ASN 6 N 0.92 6.39 -0.32 3.32 -0.87 -0.64 -1.14 114.94 122.60 3n8k s ASN 6 Ca -0.02 0.47 -0.08 0.00 -1.57 0.00 0.00 52.86 51.66 3n8k s ASN 6 Cb -0.15 -2.25 0.02 0.00 -0.02 0.00 0.00 41.25 38.85 3n8k s ASN 6 CO 0.00 -0.21 0.12 -0.69 -2.57 0.00 0.00 177.10 173.74 3n8k s VAL 7 N 2.02 4.11 -0.22 1.60 1.01 -0.59 -0.70 120.40 127.64 3n8k s VAL 7 Ca 0.19 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 3n8k s VAL 7 Cb -0.16 -3.19 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 3n8k s VAL 7 CO 0.09 -0.03 -0.07 -0.63 0.00 0.00 0.00 175.10 174.46 3n8k s ILE 8 N 1.50 3.14 -0.15 2.22 1.09 -0.35 -0.51 121.20 128.15 3n8k s ILE 8 Ca 0.02 -0.59 -0.04 0.00 -1.10 0.00 0.00 60.65 58.94 3n8k s ILE 8 Cb -0.18 -2.43 -0.03 0.00 -1.06 0.00 0.00 42.46 38.76 3n8k s ILE 8 CO 0.04 0.43 -0.01 0.20 -0.10 0.00 0.00 174.94 175.49 3n8k s ASN 9 N 1.44 5.02 0.00 3.58 0.01 -0.29 -0.96 114.94 123.73 3n8k s ASN 9 Ca 0.05 -0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 3n8k s ASN 9 Cb -0.14 -1.76 0.00 0.00 0.41 0.00 0.00 41.25 39.76 3n8k s ASN 9 CO -0.05 0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.36 3n8k n GLY 10 N 3.29 0.03 3.63 0.66 0.00 0.27 -1.88 105.19 111.20 3n8k n GLY 10 Ca -0.17 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 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 0.00 1.32 -0.42 1.61 -0.02 -1.19 -3.15 135.00 133.14 3n8k n PRO 11 Ca 0.00 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3n8k n PRO 11 Cb 0.00 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 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 0.00 0.00 0.10 2.55 3.02 -1.26 -4.49 115.26 115.17 3n8k n ASN 12 Ca 0.10 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.78 3n8k n ASN 12 Cb 0.42 -1.18 0.34 0.00 -0.61 0.00 0.00 39.78 38.75 3n8k n ASN 12 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3n8k n LEU 13 N 0.00 0.80 0.00 3.41 4.77 -1.19 -2.57 117.00 122.22 3n8k n LEU 13 Ca 0.00 0.49 0.11 0.00 -0.03 0.00 0.00 56.01 56.58 3n8k n LEU 13 Cb 0.00 -0.28 0.51 0.00 -2.33 0.00 0.00 43.42 41.32 3n8k n LEU 13 CO 0.00 -0.15 0.87 0.61 -1.33 0.00 0.00 177.39 177.39 3n8k n GLY 14 N 1.31 -1.28 1.00 -0.72 0.00 -1.26 -3.31 105.19 100.93 3n8k n GLY 14 Ca 0.05 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.48 2.26 -1.69 1.61 5.12 -1.06 -4.70 116.66 116.72 3n8k n ARG 15 Ca 0.06 -1.95 -0.42 0.00 -1.93 0.00 0.00 57.85 53.62 3n8k n ARG 15 Cb 0.26 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 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 1.09 3.66 0.00 0.55 4.77 -1.21 -2.19 117.00 123.68 3n8k n LEU 16 Ca 0.18 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.31 3n8k n LEU 16 Cb 0.47 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 3n8k n LEU 16 CO 0.13 -0.65 0.00 0.61 -1.33 0.00 0.00 177.39 176.15 3n8k n GLY 17 N 0.83 3.14 0.00 -0.72 0.00 -1.15 -3.84 105.19 103.45 3n8k n GLY 17 Ca 0.06 -0.99 0.02 0.00 0.00 0.00 0.00 46.02 45.11 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 3.31 -2.61 1.61 1.85 -1.18 -4.61 116.66 115.03 3n8k n ARG 18 Ca 0.00 -0.02 -0.41 0.00 -1.00 0.00 0.00 57.85 56.42 3n8k n ARG 18 Cb 0.00 -0.86 -0.03 0.00 -1.05 0.00 0.00 32.46 30.52 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 -1.76 3.30 -0.70 2.89 3.00 -0.93 -4.47 118.95 120.28 3n8k s ARG 19 Ca 0.00 -0.61 -0.11 0.00 -1.00 0.00 0.00 55.73 54.01 3n8k s ARG 19 Cb 0.03 -4.52 0.02 0.00 0.00 0.00 0.00 34.95 30.48 3n8k s ARG 19 CO 0.17 -2.10 0.63 0.39 0.00 0.00 0.00 175.30 174.39 3n8k n GLU 20 N 8.89 -1.66 0.27 5.12 1.02 -1.26 -4.41 120.64 128.61 3n8k n GLU 20 Ca 0.11 1.12 0.15 0.00 -0.02 0.00 0.00 57.16 58.52 3n8k n GLU 20 Cb 0.49 -2.96 0.88 0.00 -0.02 0.00 0.00 31.44 29.83 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 0.56 0.00 0.00 3.49 0.13 -1.79 0.59 132.00 134.98 3n8k h PRO 21 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 3n8k h PRO 21 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 3n8k h PRO 21 CO 0.31 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.00 3n8k h ALA 22 N 1.94 0.98 0.00 -0.56 0.00 -1.88 -2.19 119.26 117.55 3n8k h ALA 22 Ca 0.02 -0.08 -0.44 0.00 0.00 0.00 0.00 54.91 54.41 3n8k h ALA 22 Cb 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 3n8k h ALA 22 CO -0.00 0.10 -2.49 0.28 0.00 0.00 0.00 179.25 177.15 3n8k n VAL 23 N -3.16 1.46 0.71 0.00 0.31 0.04 -4.74 118.33 112.94 3n8k n VAL 23 Ca 0.02 -0.38 0.08 0.00 -0.01 0.00 0.00 64.34 64.04 3n8k n VAL 23 Cb 0.43 -1.84 -0.01 0.00 -0.91 0.00 0.00 33.84 31.51 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 -4.14 0.00 0.00 3.52 4.02 -0.25 -4.44 117.16 115.87 3n8k n TYR 24 Ca -0.52 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.37 3n8k n TYR 24 Cb 0.88 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.20 3n8k n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3n8k n GLY 25 N 1.16 -0.45 0.98 2.72 0.00 -0.82 -4.76 105.19 104.02 3n8k n GLY 25 Ca 0.06 -1.67 0.09 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.29 1.44 3.69 -0.02 0.00 -1.26 -3.84 105.19 104.91 3n8k n GLY 26 Ca 0.00 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.36 4.81 0.69 2.61 2.01 -1.26 -4.36 115.64 118.78 3n8k s THR 27 Ca 0.36 2.01 -0.11 0.00 0.31 0.00 0.00 61.69 64.26 3n8k s THR 27 Cb 0.19 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.41 3n8k s THR 27 CO 0.26 0.05 1.06 0.42 -0.69 0.00 0.00 174.62 175.71 3n8k s THR 28 N 1.77 4.06 0.29 -0.82 -4.23 -1.26 -2.94 115.64 112.51 3n8k s THR 28 Ca 0.48 0.68 0.00 0.00 -1.18 0.00 0.00 61.69 61.67 3n8k s THR 28 Cb -0.19 -3.43 0.14 0.00 1.34 0.00 0.00 72.50 70.37 3n8k s THR 28 CO 0.20 -0.86 1.82 -0.74 -0.54 0.00 0.00 174.62 174.49 3n8k h HIS 29 N -0.65 0.77 -0.71 3.99 2.76 -1.84 -0.51 115.15 118.96 3n8k h HIS 29 Ca -0.44 -0.08 -0.05 0.00 -2.20 0.00 0.00 60.37 57.60 3n8k h HIS 29 Cb 1.21 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.92 3n8k h HIS 29 CO 0.62 0.69 0.24 -0.44 -1.30 0.00 0.00 177.93 177.74 3n8k h ASP 30 N 0.70 1.02 0.14 3.26 5.19 -1.93 -1.29 116.42 123.52 3n8k h ASP 30 Ca 0.15 -0.20 -0.10 0.00 -0.62 0.00 0.00 57.03 56.26 3n8k h ASP 30 Cb 0.35 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 3n8k h ASP 30 CO 0.01 0.95 -0.37 -0.33 -3.12 0.00 0.00 179.24 176.38 3n8k h GLU 31 N 1.04 0.32 -0.29 3.56 5.08 -1.86 -2.85 114.58 119.59 3n8k h GLU 31 Ca 0.23 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3n8k h GLU 31 Cb 0.28 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3n8k h GLU 31 CO -0.01 0.65 0.07 1.25 -1.00 0.00 0.00 179.01 179.97 3n8k h LEU 32 N 0.27 0.44 -0.47 1.33 5.85 -0.67 -1.68 115.31 120.38 3n8k h LEU 32 Ca 0.03 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.57 3n8k h LEU 32 Cb 0.77 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 3n8k h LEU 32 CO 0.06 0.56 0.22 0.58 -0.34 0.00 0.00 178.44 179.51 3n8k h VAL 33 N 0.30 0.92 -0.22 1.05 2.07 -1.21 0.79 116.25 119.95 3n8k h VAL 33 Ca 0.09 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3n8k h VAL 33 Cb 0.29 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3n8k h VAL 33 CO 0.00 0.08 0.07 0.00 0.02 0.00 0.00 177.57 177.74 3n8k h ALA 34 N 1.27 1.71 0.08 1.67 0.00 -1.38 -0.44 119.26 122.17 3n8k h ALA 34 Ca 0.21 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.78 3n8k h ALA 34 Cb 0.16 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.86 3n8k h ALA 34 CO -0.17 0.23 -1.13 -0.07 0.00 0.00 0.00 179.25 178.10 3n8k h LEU 35 N 0.30 0.56 -0.15 0.00 3.38 -0.47 -2.81 115.31 116.12 3n8k h LEU 35 Ca 0.08 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 3n8k h LEU 35 Cb 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3n8k h LEU 35 CO -0.01 1.36 -0.11 0.40 0.09 0.00 0.00 178.44 180.18 3n8k h ILE 36 N 0.17 1.33 -0.26 1.22 2.04 -0.53 -2.47 117.51 119.00 3n8k h ILE 36 Ca -0.13 -1.21 -0.05 0.00 1.00 0.00 0.00 64.86 64.48 3n8k h ILE 36 Cb 1.81 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 39.67 3n8k h ILE 36 CO 0.20 0.36 -0.04 -0.33 0.00 0.00 0.00 178.15 178.33 3n8k h GLU 37 N -0.01 0.41 -0.23 2.37 5.08 -1.20 -0.40 114.58 120.60 3n8k h GLU 37 Ca 0.03 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3n8k h GLU 37 Cb 0.61 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3n8k h GLU 37 CO 0.03 0.47 -0.18 -0.09 -1.00 0.00 0.00 179.01 178.24 3n8k h ARG 38 N 0.39 0.52 -0.37 2.33 2.43 -1.50 -2.15 114.38 116.03 3n8k h ARG 38 Ca 0.08 -0.26 -0.11 0.00 -0.81 0.00 0.00 59.98 58.89 3n8k h ARG 38 Cb 0.32 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3n8k h ARG 38 CO 0.01 0.83 -0.22 1.49 -1.51 0.00 0.00 179.97 180.57 3n8k h GLU 39 N 0.22 0.73 -0.22 0.20 4.57 -1.18 -2.29 114.58 116.60 3n8k h GLU 39 Ca 0.04 -0.29 -0.10 0.00 -1.18 0.00 0.00 59.36 57.83 3n8k h GLU 39 Cb 0.71 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 3n8k h GLU 39 CO 0.05 0.89 -0.30 0.00 -1.18 0.00 0.00 179.01 178.46 3n8k h ALA 40 N 1.11 1.07 -0.18 2.92 0.00 -1.10 -2.60 119.26 120.50 3n8k h ALA 40 Ca 0.09 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 3n8k h ALA 40 Cb 0.72 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3n8k h ALA 40 CO 0.06 0.57 -0.47 0.00 0.00 0.00 0.00 179.25 179.41 3n8k h ALA 41 N 1.30 0.87 -0.11 0.00 0.00 -1.15 0.61 119.26 120.77 3n8k h ALA 41 Ca 0.05 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 3n8k h ALA 41 Cb 0.73 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3n8k h ALA 41 CO 0.06 0.66 -0.49 0.93 0.00 0.00 0.00 179.25 180.41 3n8k h GLU 42 N 0.36 0.27 0.09 0.00 5.08 -1.31 -3.24 114.58 115.84 3n8k h GLU 42 Ca 0.02 -0.15 -0.29 0.00 -1.00 0.00 0.00 59.36 57.94 3n8k h GLU 42 Cb 0.96 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 3n8k h GLU 42 CO 0.08 0.70 -1.50 -0.07 -1.00 0.00 0.00 179.01 177.22 3n8k h LEU 43 N 0.22 0.29 0.00 1.33 3.38 -1.34 -3.49 115.31 115.70 3n8k h LEU 43 Ca 0.01 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3n8k h LEU 43 Cb 0.94 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3n8k h LEU 43 CO 0.08 1.35 0.00 0.61 0.09 0.00 0.00 178.44 180.57 3n8k n GLY 44 N 1.62 0.77 3.19 0.83 0.00 0.27 -5.10 105.19 106.77 3n8k n GLY 44 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 3n8k n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n8k s LEU 45 N 0.00 2.41 -0.24 0.99 1.43 0.19 -4.29 118.68 119.17 3n8k s LEU 45 Ca 0.00 -0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 52.18 3n8k s LEU 45 Cb 0.00 -0.34 -0.05 0.00 0.03 0.00 0.00 46.19 45.83 3n8k s LEU 45 CO 0.00 -0.25 0.14 -0.75 0.23 0.00 0.00 176.35 175.72 3n8k s LYS 46 N -2.84 3.99 -0.26 1.70 2.20 -0.75 -3.99 119.74 119.79 3n8k s LYS 46 Ca 0.07 -0.31 -0.06 0.00 -0.36 0.00 0.00 55.97 55.30 3n8k s LYS 46 Cb -0.03 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 32.78 3n8k s LYS 46 CO 0.00 0.01 0.05 0.00 -0.36 0.00 0.00 175.35 175.06 3n8k s ALA 47 N 1.17 3.06 -0.79 3.13 0.00 -1.26 -0.15 121.76 126.92 3n8k s ALA 47 Ca 0.07 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.72 3n8k s ALA 47 Cb -0.14 -2.03 0.20 0.00 0.00 0.00 0.00 23.12 21.16 3n8k s ALA 47 CO 0.05 -0.61 0.68 0.08 0.00 0.00 0.00 175.76 175.96 3n8k s VAL 48 N 1.55 4.65 -0.30 0.00 1.01 -0.29 -4.90 120.40 122.12 3n8k s VAL 48 Ca 0.05 -3.07 -0.23 0.00 0.00 0.00 0.00 61.98 58.74 3n8k s VAL 48 Cb -0.16 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 3n8k s VAL 48 CO 0.02 -1.00 0.74 -0.69 0.00 0.00 0.00 175.10 174.17 3n8k s VAL 49 N -0.41 4.84 -0.01 2.92 1.01 -1.26 -1.55 120.40 125.94 3n8k s VAL 49 Ca 0.21 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.34 3n8k s VAL 49 Cb -0.13 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.15 3n8k s VAL 49 CO -0.07 -0.19 -0.05 -0.13 0.00 0.00 0.00 175.10 174.65 3n8k s ARG 50 N 2.83 0.52 -0.02 2.72 0.52 0.34 -4.99 118.95 120.88 3n8k s ARG 50 Ca 0.30 -0.17 0.06 0.00 -0.52 0.00 0.00 55.73 55.40 3n8k s ARG 50 Cb -0.14 -0.52 -0.01 0.00 0.52 0.00 0.00 34.95 34.79 3n8k s ARG 50 CO 0.12 0.07 -0.20 -1.14 0.02 0.00 0.00 175.30 174.17 3n8k s GLN 51 N 0.12 1.64 -0.14 3.54 -0.44 -1.26 -1.14 119.66 121.98 3n8k s GLN 51 Ca -0.01 -0.71 -0.19 0.00 -2.50 0.00 0.00 55.36 51.95 3n8k s GLN 51 Cb -0.05 -1.58 0.05 0.00 -1.64 0.00 0.00 33.01 29.79 3n8k s GLN 51 CO -0.00 0.42 0.48 0.45 0.50 0.00 0.00 175.29 177.14 3n8k s SER 52 N -0.45 -0.47 0.09 6.67 0.15 -0.79 -4.98 113.70 113.93 3n8k s SER 52 Ca 0.07 0.79 0.25 0.00 0.70 0.00 0.00 55.95 57.76 3n8k s SER 52 Cb -0.08 0.82 0.55 0.00 -1.71 0.00 0.00 66.02 65.60 3n8k s SER 52 CO -0.01 -0.28 1.48 0.47 1.20 0.00 0.00 173.24 176.10 3n8k n ASP 53 N 2.27 0.60 -4.72 5.45 8.00 -1.26 -3.17 116.55 123.72 3n8k n ASP 53 Ca -0.16 0.15 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 3n8k n ASP 53 Cb 0.56 -0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.58 3n8k n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3n8k s SER 54 N -3.87 7.08 0.19 -2.24 0.15 -1.26 -4.60 113.70 109.15 3n8k s SER 54 Ca 0.09 1.31 -0.09 0.00 0.70 0.00 0.00 55.95 57.95 3n8k s SER 54 Cb 0.15 -2.45 0.12 0.00 -1.71 0.00 0.00 66.02 62.12 3n8k s SER 54 CO 0.68 -0.13 1.74 -0.08 1.20 0.00 0.00 173.24 176.64 3n8k h GLU 55 N 6.65 1.08 -0.61 5.44 4.81 -2.00 -2.77 114.58 127.18 3n8k h GLU 55 Ca -0.41 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 58.59 3n8k h GLU 55 Cb 1.20 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 3n8k h GLU 55 CO 0.75 0.92 0.35 0.00 -0.73 0.00 0.00 179.01 180.30 3n8k h ALA 56 N 1.11 0.78 -0.53 2.92 0.00 -1.99 -0.89 119.26 120.66 3n8k h ALA 56 Ca 0.23 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3n8k h ALA 56 Cb 0.28 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3n8k h ALA 56 CO -0.01 0.27 0.12 0.37 0.00 0.00 0.00 179.25 180.00 3n8k h GLN 57 N 0.82 0.81 -0.30 0.00 5.75 -1.96 0.17 115.11 120.40 3n8k h GLN 57 Ca 0.22 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.51 3n8k h GLN 57 Cb 0.01 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 3n8k h GLN 57 CO -0.04 0.74 0.01 -0.07 -2.65 0.00 0.00 178.83 176.82 3n8k h LEU 58 N 0.78 0.51 -1.05 -2.39 3.38 -1.20 -2.15 115.31 113.20 3n8k h LEU 58 Ca 0.17 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3n8k h LEU 58 Cb 0.30 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3n8k h LEU 58 CO -0.00 0.68 0.61 -0.07 0.09 0.00 0.00 178.44 179.75 3n8k h LEU 59 N 0.33 1.09 -0.49 1.67 3.38 -0.72 -2.93 115.31 117.65 3n8k h LEU 59 Ca 0.09 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3n8k h LEU 59 Cb 0.41 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3n8k h LEU 59 CO 0.01 0.80 0.02 -0.78 0.09 0.00 0.00 178.44 178.58 3n8k h ASP 60 N 1.28 0.83 -0.08 -0.43 3.58 -0.54 -2.66 116.42 118.40 3n8k h ASP 60 Ca 0.34 -0.30 -0.10 0.00 0.42 0.00 0.00 57.03 57.40 3n8k h ASP 60 Cb -0.12 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.69 3n8k h ASP 60 CO -0.07 0.92 -0.25 -0.50 -2.88 0.00 0.00 179.24 176.46 3n8k h TRP 61 N 0.71 0.57 0.00 0.28 6.55 -1.23 -2.81 115.95 120.01 3n8k h TRP 61 Ca 0.14 -0.12 0.00 0.00 0.95 0.00 0.00 58.89 59.86 3n8k h TRP 61 Cb 0.49 -0.14 0.00 0.00 -0.86 0.00 0.00 29.16 28.65 3n8k h TRP 61 CO 0.04 0.72 -0.15 -0.84 -1.05 0.00 0.00 178.44 177.15 3n8k h ILE 62 N 0.45 0.00 -0.48 1.49 3.07 -1.52 -2.78 117.51 117.75 3n8k h ILE 62 Ca 0.07 -0.90 -0.08 0.00 1.55 0.00 0.00 64.86 65.49 3n8k h ILE 62 Cb 0.67 1.82 -0.02 0.00 -0.27 0.00 0.00 36.82 39.03 3n8k h ILE 62 CO 0.05 0.00 -0.02 0.45 -1.05 0.00 0.00 178.15 177.58 3n8k h HIS 63 N 0.00 0.94 -0.49 0.16 3.86 -1.23 -0.27 115.15 118.12 3n8k h HIS 63 Ca 0.00 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.00 3n8k h HIS 63 Cb 0.95 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 3n8k h HIS 63 CO 0.00 0.90 0.14 1.96 0.86 0.00 0.00 177.93 181.79 3n8k h GLN 64 N 0.71 0.72 0.00 2.45 4.20 -1.45 -1.56 115.11 120.18 3n8k h GLN 64 Ca 0.13 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 3n8k h GLN 64 Cb 0.54 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3n8k h GLN 64 CO 0.03 0.64 -0.63 0.00 -0.67 0.00 0.00 178.83 178.20 3n8k h ALA 65 N 1.45 0.89 -0.20 3.87 0.00 -1.31 -2.04 119.26 121.93 3n8k h ALA 65 Ca 0.16 -0.57 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 3n8k h ALA 65 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3n8k h ALA 65 CO -0.01 0.79 -0.66 0.00 0.00 0.00 0.00 179.25 179.37 3n8k h ALA 66 N 1.37 0.45 -0.16 0.00 0.00 -0.57 -0.96 119.26 119.37 3n8k h ALA 66 Ca -0.01 -0.56 -0.22 0.00 0.00 0.00 0.00 54.91 54.13 3n8k h ALA 66 Cb 1.16 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.91 3n8k h ALA 66 CO 0.08 0.69 -0.75 -0.44 0.00 0.00 0.00 179.25 178.84 3n8k h ASP 67 N 0.55 0.92 0.51 0.00 3.32 -1.28 -3.19 116.42 117.24 3n8k h ASP 67 Ca -0.02 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.45 3n8k h ASP 67 Cb 1.27 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3n8k h ASP 67 CO 0.14 1.38 -0.10 0.00 -1.72 0.00 0.00 179.24 178.93 3n8k n ALA 68 N -2.59 2.71 -3.72 3.45 0.00 -0.77 -4.95 120.51 114.64 3n8k n ALA 68 Ca -0.07 -0.22 -0.24 0.00 0.00 0.00 0.00 53.44 52.91 3n8k n ALA 68 Cb 0.73 -1.37 0.03 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 -1.16 -2.14 -2.63 0.00 0.00 -0.71 -5.00 120.51 108.87 3n8k n ALA 69 Ca 0.13 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.05 3n8k n ALA 69 Cb 0.28 -2.45 -0.10 0.00 0.00 0.00 0.00 19.45 17.18 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 -6.00 2.75 0.60 0.00 2.02 -0.45 -4.77 118.70 112.86 3n8k s GLU 70 Ca 0.11 -0.58 -0.20 0.00 0.02 0.00 0.00 54.97 54.33 3n8k s GLU 70 Cb -0.03 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 3n8k s GLU 70 CO 0.83 0.65 1.31 -2.14 0.02 0.00 0.00 175.26 175.93 3n8k s PRO 71 N -1.15 2.83 -0.12 0.39 0.02 -1.25 -4.75 135.00 130.96 3n8k s PRO 71 Ca 0.15 2.10 0.01 0.00 0.02 0.00 0.00 61.00 63.29 3n8k s PRO 71 Cb -0.11 -2.01 0.02 0.00 0.02 0.00 0.00 34.50 32.41 3n8k s PRO 71 CO 0.05 -1.40 -0.13 0.08 -0.33 0.00 0.00 177.00 175.28 3n8k s VAL 72 N -1.38 1.36 -0.39 3.83 1.01 -0.88 -1.63 120.40 122.33 3n8k s VAL 72 Ca 0.78 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 3n8k s VAL 72 Cb -0.38 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 34.73 3n8k s VAL 72 CO 0.42 0.42 0.26 -0.63 0.00 0.00 0.00 175.10 175.57 3n8k s ILE 73 N 1.31 5.06 -0.10 2.22 1.01 0.13 -0.94 121.20 129.89 3n8k s ILE 73 Ca -0.01 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.05 3n8k s ILE 73 Cb -0.14 -3.78 -0.00 0.00 0.01 0.00 0.00 42.46 38.55 3n8k s ILE 73 CO -0.06 -0.23 -0.23 -0.22 0.00 0.00 0.00 174.94 174.21 3n8k s LEU 74 N 1.65 2.17 -0.35 2.97 2.96 -0.44 -1.21 118.68 126.43 3n8k s LEU 74 Ca 0.04 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 3n8k s LEU 74 Cb -0.19 -1.43 0.11 0.00 0.50 0.00 0.00 46.19 45.18 3n8k s LEU 74 CO 0.09 0.18 0.10 0.21 -1.32 0.00 0.00 176.35 175.61 3n8k s ASN 75 N 0.26 4.36 0.00 3.68 3.84 -0.14 -0.69 114.94 126.25 3n8k s ASN 75 Ca -0.15 -2.06 0.28 0.00 0.21 0.00 0.00 52.86 51.13 3n8k s ASN 75 Cb -0.17 -1.29 1.61 0.00 -0.55 0.00 0.00 41.25 40.85 3n8k s ASN 75 CO 0.08 -0.37 2.01 0.00 -2.79 0.00 0.00 177.10 176.02 3n8k n ALA 76 N 4.33 2.50 -0.87 1.71 0.00 -1.26 0.97 120.51 127.89 3n8k n ALA 76 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3n8k n ALA 76 Cb 0.41 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3n8k n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n8k n GLY 77 N 0.84 3.30 0.20 0.00 0.00 -1.26 -2.39 105.19 105.88 3n8k n GLY 77 Ca 0.19 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.03 103.07 100.08 3n8k h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n8k h GLY 78 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 3n8k h LEU 79 N 0.00 0.00 -1.23 3.11 3.38 -1.86 -2.84 115.31 115.87 3n8k h LEU 79 Ca -0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.09 3n8k h LEU 79 Cb 0.66 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.34 3n8k h LEU 79 CO 0.04 0.00 0.58 0.74 0.09 0.00 0.00 178.44 179.89 3n8k h THR 80 N 0.00 0.88 -0.00 0.22 2.02 -1.64 0.17 112.91 114.57 3n8k h THR 80 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3n8k h THR 80 Cb 0.35 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 3n8k h THR 80 CO 0.00 0.14 -0.51 1.41 0.37 0.00 0.00 175.52 176.93 3n8k n HIS 81 N -4.56 0.00 0.00 3.16 8.25 -1.07 -1.82 115.22 119.17 3n8k n HIS 81 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 3n8k n HIS 81 Cb 0.41 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.31 3n8k n HIS 81 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3n8k n THR 82 N -1.38 0.00 -2.66 1.59 -2.24 -0.93 -4.79 114.28 103.88 3n8k n THR 82 Ca 0.06 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 3n8k n THR 82 Cb 0.34 -0.41 -0.03 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 -3.22 6.61 0.09 3.42 0.15 0.56 -4.85 113.70 116.46 3n8k s SER 83 Ca 0.00 0.40 0.03 0.00 0.70 0.00 0.00 55.95 57.08 3n8k s SER 83 Cb 0.00 -2.52 -0.24 0.00 -1.71 0.00 0.00 66.02 61.55 3n8k s SER 83 CO 0.00 -1.18 1.18 0.58 1.20 0.00 0.00 173.24 175.02 3n8k h VAL 84 N 6.17 1.57 -0.56 4.45 2.07 -1.96 -3.23 116.25 124.77 3n8k h VAL 84 Ca -0.23 -3.24 0.03 0.00 0.82 0.00 0.00 66.70 64.08 3n8k h VAL 84 Cb 1.06 2.86 -0.04 0.00 -1.52 0.00 0.00 31.29 33.65 3n8k h VAL 84 CO 1.10 0.92 0.33 0.00 0.02 0.00 0.00 177.57 179.94 3n8k h ALA 85 N 0.83 0.72 -0.17 1.67 0.00 -1.98 -0.62 119.26 119.71 3n8k h ALA 85 Ca -0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3n8k h ALA 85 Cb 1.86 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 3n8k h ALA 85 CO 0.15 0.05 -0.37 1.25 0.00 0.00 0.00 179.25 180.33 3n8k h LEU 86 N 0.65 0.37 -0.95 0.00 5.85 -1.95 -2.36 115.31 116.93 3n8k h LEU 86 Ca 0.23 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3n8k h LEU 86 Cb 0.04 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3n8k h LEU 86 CO -0.11 0.71 0.32 -0.09 -0.34 0.00 0.00 178.44 178.94 3n8k h ARG 87 N 0.30 1.08 -0.14 1.25 2.43 -1.43 -1.30 114.38 116.59 3n8k h ARG 87 Ca 0.03 -0.17 -0.14 0.00 -0.81 0.00 0.00 59.98 58.90 3n8k h ARG 87 Cb 0.79 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3n8k h ARG 87 CO 0.06 0.86 -0.50 -0.44 -1.51 0.00 0.00 179.97 178.44 3n8k h ASP 88 N 1.07 0.40 0.38 -3.80 3.32 -0.81 -1.94 116.42 115.05 3n8k h ASP 88 Ca 0.25 -0.20 -0.18 0.00 0.02 0.00 0.00 57.03 56.92 3n8k h ASP 88 Cb 0.16 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3n8k h ASP 88 CO -0.03 0.84 -0.76 0.00 -1.72 0.00 0.00 179.24 177.57 3n8k h ALA 89 N 1.17 0.62 0.00 3.45 0.00 -1.27 -3.06 119.26 120.17 3n8k h ALA 89 Ca 0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 3n8k h ALA 89 Cb 0.98 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3n8k h ALA 89 CO 0.08 0.80 -0.09 0.00 0.00 0.00 0.00 179.25 180.04 3n8k h ALA 91 N 1.91 1.01 0.00 0.00 0.00 -1.24 -2.97 119.26 117.97 3n8k h ALA 91 Ca -0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3n8k h ALA 91 Cb 0.66 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3n8k h ALA 91 CO 0.01 0.06 -0.19 0.93 0.00 0.00 0.00 179.25 180.06 3n8k h GLU 92 N 0.00 0.00 -6.25 0.00 5.08 -1.61 -3.45 114.58 108.35 3n8k h GLU 92 Ca -0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 3n8k h GLU 92 Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3n8k h GLU 92 CO 0.01 0.19 1.21 -0.51 -1.00 0.00 0.00 179.01 178.91 3n8k s LEU 93 N -6.54 3.80 0.09 1.33 1.43 -1.12 -4.86 118.68 112.81 3n8k s LEU 93 Ca 0.02 1.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.82 3n8k s LEU 93 Cb 0.09 -3.53 -0.24 0.00 0.03 0.00 0.00 46.19 42.54 3n8k s LEU 93 CO 0.64 -1.42 1.18 0.77 0.23 0.00 0.00 176.35 177.75 3n8k h SER 94 N 11.71 0.19 -4.17 2.29 4.64 -1.87 -3.46 113.55 122.89 3n8k h SER 94 Ca -0.36 -0.21 -0.50 0.00 -0.47 0.00 0.00 61.79 60.25 3n8k h SER 94 Cb 1.17 -0.06 0.07 0.00 -0.31 0.00 0.00 62.40 63.28 3n8k h SER 94 CO 1.00 1.17 0.39 0.00 -0.87 0.00 0.00 176.83 178.51 3n8k s ALA 95 N -2.68 2.66 0.16 5.18 0.00 -1.26 -4.96 121.76 120.87 3n8k s ALA 95 Ca -0.02 0.53 -0.33 0.00 0.00 0.00 0.00 51.96 52.14 3n8k s ALA 95 Cb 0.09 -3.28 -0.13 0.00 0.00 0.00 0.00 23.12 19.79 3n8k s ALA 95 CO 0.85 -0.90 1.64 -2.30 0.00 0.00 0.00 175.76 175.04 3n8k n PRO 96 N -1.94 2.34 -3.80 0.00 -0.02 -1.26 -4.81 135.00 125.51 3n8k n PRO 96 Ca 0.10 0.85 -0.36 0.00 -2.02 0.00 0.00 63.50 62.06 3n8k n PRO 96 Cb 0.52 -2.64 -0.12 0.00 -0.02 0.00 0.00 33.50 31.24 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 1.14 3.52 -0.18 2.45 2.96 -1.26 -2.08 118.68 125.23 3n8k s LEU 97 Ca 0.78 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.55 3n8k s LEU 97 Cb -0.63 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.15 3n8k s LEU 97 CO 0.37 -0.00 -0.18 -0.51 -1.32 0.00 0.00 176.35 174.70 3n8k s ILE 98 N 1.42 1.98 0.00 6.68 -1.16 -0.12 -0.10 121.20 129.90 3n8k s ILE 98 Ca 0.05 -0.94 -0.25 0.00 -0.51 0.00 0.00 60.65 59.01 3n8k s ILE 98 Cb -0.15 -1.82 -0.05 0.00 0.61 0.00 0.00 42.46 41.05 3n8k s ILE 98 CO 0.04 0.48 0.76 -0.70 -2.81 0.00 0.00 174.94 172.70 3n8k s GLU 99 N 1.31 4.47 -0.06 3.50 2.12 0.39 -1.33 118.70 129.09 3n8k s GLU 99 Ca 0.04 1.02 0.03 0.00 0.36 0.00 0.00 54.97 56.41 3n8k s GLU 99 Cb -0.14 -3.40 0.01 0.00 0.26 0.00 0.00 34.13 30.86 3n8k s GLU 99 CO -0.12 0.18 -0.14 0.08 -0.54 0.00 0.00 175.26 174.73 3n8k s VAL 100 N 0.33 1.23 -0.03 3.70 1.01 0.14 -0.19 120.40 126.58 3n8k s VAL 100 Ca 0.39 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.87 3n8k s VAL 100 Cb -0.19 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 3n8k s VAL 100 CO 0.21 0.37 -0.16 -1.00 0.00 0.00 0.00 175.10 174.52 3n8k s HIS 101 N 0.55 1.57 -0.03 5.22 3.76 0.38 -4.17 115.29 122.56 3n8k s HIS 101 Ca -0.13 -0.38 -0.24 0.00 -0.15 0.00 0.00 55.06 54.15 3n8k s HIS 101 Cb -0.15 -1.04 -0.18 0.00 1.11 0.00 0.00 32.58 32.31 3n8k s HIS 101 CO 0.04 -0.10 1.09 0.82 -0.85 0.00 0.00 174.74 175.74 3n8k h ILE 102 N 5.03 1.09 -3.61 0.60 2.04 -1.86 -1.91 117.51 118.88 3n8k h ILE 102 Ca -0.34 -1.11 -0.49 0.00 1.00 0.00 0.00 64.86 63.91 3n8k h ILE 102 Cb 1.16 1.76 0.03 0.00 -0.74 0.00 0.00 36.82 39.03 3n8k h ILE 102 CO 0.48 0.25 0.11 -0.94 0.00 0.00 0.00 178.15 178.06 3n8k s SER 103 N -5.54 6.33 -0.72 1.72 1.04 -1.26 -1.64 113.70 113.63 3n8k s SER 103 Ca -0.15 0.98 -0.26 0.00 0.48 0.00 0.00 55.95 57.01 3n8k s SER 103 Cb 0.01 -2.27 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 3n8k s SER 103 CO 0.58 -0.53 1.68 0.21 0.98 0.00 0.00 173.24 176.16 3n8k s ASN 104 N -3.85 5.59 0.59 7.02 3.84 -1.26 -2.71 114.94 124.16 3n8k s ASN 104 Ca 0.48 -0.16 0.37 0.00 0.21 0.00 0.00 52.86 53.76 3n8k s ASN 104 Cb -0.10 -2.55 1.83 0.00 -0.55 0.00 0.00 41.25 39.88 3n8k s ASN 104 CO 0.41 -2.21 2.17 1.62 -2.79 0.00 0.00 177.10 176.30 3n8k h VAL 105 N 6.69 0.14 -0.00 -5.21 3.04 -1.92 -1.39 116.25 117.60 3n8k h VAL 105 Ca -0.18 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 3n8k h VAL 105 Cb 1.10 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 3n8k h VAL 105 CO 1.25 0.03 -0.33 1.41 -1.01 0.00 0.00 177.57 178.91 3n8k n HIS 106 N -3.22 0.00 -0.48 3.17 8.25 -1.26 -3.66 115.22 118.02 3n8k n HIS 106 Ca -0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.55 3n8k n HIS 106 Cb 0.19 -0.26 0.34 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.30 2.67 -3.00 -1.41 0.00 -0.52 -4.95 120.51 111.99 3n8k n ALA 107 Ca 0.08 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 52.09 3n8k n ALA 107 Cb 0.33 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 1.44 3.67 -1.82 0.00 1.74 -1.24 -5.07 116.66 115.38 3n8k n ARG 108 Ca 0.25 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.94 3n8k n ARG 108 Cb 0.74 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.21 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 2.67 3.34 0.51 5.56 8.01 -1.26 -4.92 118.70 132.61 3n8k s GLU 109 Ca 0.00 2.26 0.21 0.00 0.01 0.00 0.00 54.97 57.45 3n8k s GLU 109 Cb 0.00 -2.38 1.34 0.00 -4.31 0.00 0.00 34.13 28.78 3n8k s GLU 109 CO 0.00 -1.04 2.10 0.93 0.01 0.00 0.00 175.26 177.26 3n8k h GLU 110 N 1.75 0.00 0.00 1.61 4.39 -1.96 -2.11 114.58 118.26 3n8k h GLU 110 Ca -0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.19 3n8k h GLU 110 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3n8k h GLU 110 CO 0.59 0.09 0.00 1.97 -1.16 0.00 0.00 179.01 180.49 3n8k n PHE 111 N -4.13 0.00 1.17 4.33 1.16 -1.26 -2.41 117.46 116.33 3n8k n PHE 111 Ca -0.03 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.68 3n8k n PHE 111 Cb 0.17 -0.49 0.33 0.00 -1.61 0.00 0.00 39.48 37.88 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 -1.49 0.60 -0.11 3.97 1.74 -0.79 -4.21 116.66 116.37 3n8k n ARG 112 Ca 0.05 -0.36 0.10 0.00 -0.77 0.00 0.00 57.85 56.87 3n8k n ARG 112 Cb 0.22 -1.49 0.32 0.00 -1.02 0.00 0.00 32.46 30.49 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 -0.89 1.81 -3.02 5.56 1.74 -1.01 -4.45 116.66 116.40 3n8k n ARG 113 Ca 0.10 -1.23 -0.23 0.00 -0.77 0.00 0.00 57.85 55.73 3n8k n ARG 113 Cb 0.35 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 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 0.46 2.41 -1.74 -1.55 8.25 -1.26 -5.06 115.22 116.72 3n8k n HIS 114 Ca 0.16 -3.87 -0.42 0.00 -0.26 0.00 0.00 57.72 53.32 3n8k n HIS 114 Cb 0.34 -0.45 -0.00 0.00 1.12 0.00 0.00 29.99 31.00 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 -0.04 3.37 0.14 0.41 2.88 -1.26 -4.84 113.62 114.28 3n8k n SER 115 Ca 0.28 1.21 0.05 0.00 -1.33 0.00 0.00 58.87 59.09 3n8k n SER 115 Cb 0.52 -1.56 0.04 0.00 -0.75 0.00 0.00 64.21 62.45 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 2.92 0.00 0.00 0.66 0.05 -1.67 -3.36 116.97 115.58 3n8k h TYR 116 Ca -0.49 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.05 3n8k h TYR 116 Cb 1.26 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.96 3n8k h TYR 116 CO 0.52 0.35 -1.29 -0.07 -1.05 0.00 0.00 178.16 176.62 3n8k h LEU 117 N 0.00 0.00 -0.38 3.88 3.38 -1.90 -3.38 115.31 116.91 3n8k h LEU 117 Ca -0.03 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3n8k h LEU 117 Cb 1.29 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 3n8k h LEU 117 CO 0.04 1.00 0.08 0.28 0.09 0.00 0.00 178.44 179.94 3n8k h SER 118 N 0.00 0.03 0.38 -0.43 0.02 -1.93 -1.27 113.55 110.35 3n8k h SER 118 Ca -0.12 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3n8k h SER 118 Cb 1.87 0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.49 3n8k h SER 118 CO 0.11 0.05 0.00 -2.65 -1.14 0.00 0.00 176.83 173.20 3n8k n PRO 119 N -5.09 0.10 0.00 3.45 -0.02 -1.26 -2.47 135.00 129.72 3n8k n PRO 119 Ca 0.02 0.45 0.02 0.00 -2.02 0.00 0.00 63.50 61.97 3n8k n PRO 119 Cb 0.17 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3n8k n PRO 119 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3n8k n ILE 120 N -1.95 0.00 -2.00 4.25 -6.64 -1.02 -5.03 119.36 106.97 3n8k n ILE 120 Ca 0.01 -0.46 -0.29 0.00 -1.77 0.00 0.00 62.75 60.24 3n8k n ILE 120 Cb 0.13 1.05 0.05 0.00 -1.44 0.00 0.00 39.64 39.43 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 -0.76 2.97 -0.12 -1.28 0.00 -0.51 -4.93 121.76 117.14 3n8k s ALA 121 Ca 0.03 -0.45 -0.25 0.00 0.00 0.00 0.00 51.96 51.29 3n8k s ALA 121 Cb 0.03 -2.92 -0.27 0.00 0.00 0.00 0.00 23.12 19.96 3n8k s ALA 121 CO 0.09 -1.10 0.75 1.15 0.00 0.00 0.00 175.76 176.65 3n8k h THR 122 N -0.57 1.60 -4.01 0.00 2.02 -0.81 -3.49 112.91 107.64 3n8k h THR 122 Ca -0.45 -2.39 -0.11 0.00 0.77 0.00 0.00 66.41 64.23 3n8k h THR 122 Cb 1.26 3.20 -0.14 0.00 -1.74 0.00 0.00 68.15 70.73 3n8k h THR 122 CO 0.63 0.62 -0.49 -0.83 0.37 0.00 0.00 175.52 175.83 3n8k s GLY 123 N -4.38 0.33 -0.07 2.16 0.00 -1.15 -5.05 107.32 99.16 3n8k s GLY 123 Ca -0.18 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.64 3n8k s GLY 123 CO 0.73 -1.02 -0.06 0.14 0.00 0.00 0.00 173.10 172.88 3n8k s VAL 124 N -3.91 0.76 -0.18 1.40 1.01 -1.26 -0.46 120.40 117.76 3n8k s VAL 124 Ca 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 3n8k s VAL 124 Cb 0.06 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.67 3n8k s VAL 124 CO -0.08 0.29 -0.15 -0.63 0.00 0.00 0.00 175.10 174.53 3n8k s ILE 125 N 1.15 2.54 -0.02 2.22 1.01 0.73 -4.97 121.20 123.87 3n8k s ILE 125 Ca -0.07 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.81 3n8k s ILE 125 Cb -0.14 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.24 3n8k s ILE 125 CO -0.01 0.50 -0.06 -0.69 0.00 0.00 0.00 174.94 174.68 3n8k s VAL 126 N 1.20 0.53 0.00 2.92 1.01 -1.26 -0.47 120.40 124.34 3n8k s VAL 126 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3n8k s VAL 126 Cb -0.14 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.74 3n8k s VAL 126 CO -0.07 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.82 3n8k n GLY 127 N 3.37 0.81 1.61 4.51 0.00 -0.72 -4.80 105.19 109.98 3n8k n GLY 127 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 4.78 0.00 0.99 4.77 -1.22 -4.56 117.00 121.75 3n8k n LEU 128 Ca 0.00 -2.45 0.00 0.00 -0.03 0.00 0.00 56.01 53.53 3n8k n LEU 128 Cb 0.00 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 3n8k n LEU 128 CO 0.00 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3n8k n GLY 129 N 0.18 2.93 0.22 -0.72 0.00 -0.65 -2.58 105.19 104.57 3n8k n GLY 129 Ca 0.26 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 0.47 0.00 -0.61 6.09 -1.89 -3.12 117.51 118.44 3n8k h ILE 130 Ca 0.00 -1.17 -0.03 0.00 -1.37 0.00 0.00 64.86 62.29 3n8k h ILE 130 Cb 0.00 1.84 -0.00 0.00 0.47 0.00 0.00 36.82 39.13 3n8k h ILE 130 CO 0.00 0.21 -0.15 -0.61 -3.07 0.00 0.00 178.15 174.53 3n8k h GLN 131 N 0.00 0.00 -0.83 2.19 5.75 -1.92 -3.24 115.11 117.06 3n8k h GLN 131 Ca -0.00 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.61 3n8k h GLN 131 Cb 0.82 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.29 3n8k h GLN 131 CO 0.03 0.15 0.45 0.78 -2.65 0.00 0.00 178.83 177.59 3n8k h GLY 132 N 0.81 1.31 1.07 2.39 0.00 -1.54 -0.84 103.07 106.28 3n8k h GLY 132 Ca -0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 3n8k h GLY 132 CO 0.02 0.06 0.07 -0.97 0.00 0.00 0.00 176.54 175.71 3n8k h TYR 133 N 0.71 1.16 -0.00 5.60 -1.99 -1.81 -1.92 116.97 118.72 3n8k h TYR 133 Ca 0.42 -0.18 -0.14 0.00 2.00 0.00 0.00 58.73 60.84 3n8k h TYR 133 Cb 0.48 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.88 3n8k h TYR 133 CO -0.08 0.99 -0.64 -0.07 -0.00 0.00 0.00 178.16 178.36 3n8k h LEU 134 N 0.99 0.01 -0.20 3.88 3.38 -1.52 -2.05 115.31 119.81 3n8k h LEU 134 Ca 0.19 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.93 3n8k h LEU 134 Cb 0.48 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3n8k h LEU 134 CO 0.02 0.65 -0.91 -0.07 0.09 0.00 0.00 178.44 178.22 3n8k h LEU 135 N 0.01 0.56 -1.31 1.67 3.38 -1.13 -2.94 115.31 115.54 3n8k h LEU 135 Ca -0.01 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 3n8k h LEU 135 Cb 1.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3n8k h LEU 135 CO 0.08 1.23 -0.19 0.00 0.09 0.00 0.00 178.44 179.65 3n8k h ALA 136 N 0.74 1.43 -0.38 1.53 0.00 -1.19 -2.67 119.26 118.72 3n8k h ALA 136 Ca -0.07 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3n8k h ALA 136 Cb 1.54 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 3n8k h ALA 136 CO 0.16 0.40 0.00 -0.07 0.00 0.00 0.00 179.25 179.74 3n8k h LEU 137 N 0.21 0.66 -1.40 0.00 3.38 -1.35 -3.18 115.31 113.63 3n8k h LEU 137 Ca 0.04 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 3n8k h LEU 137 Cb 0.47 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3n8k h LEU 137 CO 0.03 0.81 -0.30 -0.09 0.09 0.00 0.00 178.44 178.98 3n8k h ARG 138 N 0.50 0.00 -0.37 1.13 2.43 -1.31 -0.61 114.38 116.14 3n8k h ARG 138 Ca 0.11 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3n8k h ARG 138 Cb 0.47 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3n8k h ARG 138 CO 0.02 0.30 0.12 -0.92 -1.51 0.00 0.00 179.97 177.97 3n8k h TYR 139 N 0.00 0.59 0.00 2.20 3.20 -1.48 -2.47 116.97 119.02 3n8k h TYR 139 Ca -0.00 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.72 3n8k h TYR 139 Cb 0.56 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3n8k h TYR 139 CO 0.00 0.57 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.62 3n8k h LEU 140 N 0.45 0.00 -0.54 2.82 3.38 -1.43 -2.51 115.31 117.48 3n8k h LEU 140 Ca 0.12 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3n8k h LEU 140 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3n8k h LEU 140 CO -0.00 0.40 -0.36 0.00 0.09 0.00 0.00 178.44 178.57 3n8k h ALA 141 N 1.60 0.72 0.00 1.53 0.00 -0.96 -3.28 119.26 118.87 3n8k h ALA 141 Ca -0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 54.91 54.21 3n8k h ALA 141 Cb 1.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3n8k h ALA 141 CO 0.05 0.66 -1.47 0.93 0.00 0.00 0.00 179.25 179.43 3n8k h GLU 142 N 0.65 0.00 -0.01 0.00 5.08 -1.43 -3.51 114.58 115.36 3n8k h GLU 142 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3n8k h GLU 142 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3n8k h GLU 142 CO 0.08 0.63 0.00 0.72 -1.00 0.00 0.00 179.01 179.44