#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 3.01 -0.12 1.96 1.01 -1.26 -3.00 121.20 122.80 3n8k s ILE 4 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 3n8k s ILE 4 Cb 0.00 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 3n8k s ILE 4 CO 0.00 0.52 -0.09 -0.69 0.00 0.00 0.00 174.94 174.68 3n8k s VAL 5 N 0.48 3.48 -0.29 2.92 1.01 0.23 -3.93 120.40 124.29 3n8k s VAL 5 Ca -0.09 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.19 3n8k s VAL 5 Cb -0.16 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 3n8k s VAL 5 CO 0.04 0.53 0.49 0.20 0.00 0.00 0.00 175.10 176.36 3n8k s ASN 6 N 0.10 6.37 -0.31 3.32 0.01 -0.14 -2.26 114.94 122.02 3n8k s ASN 6 Ca -0.03 0.32 -0.14 0.00 -0.71 0.00 0.00 52.86 52.29 3n8k s ASN 6 Cb -0.14 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.23 3n8k s ASN 6 CO 0.04 -0.33 0.33 -0.69 -1.51 0.00 0.00 177.10 174.94 3n8k s VAL 7 N 2.30 5.20 -0.15 1.60 1.01 0.30 -0.55 120.40 130.12 3n8k s VAL 7 Ca 0.19 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.38 3n8k s VAL 7 Cb -0.16 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.51 3n8k s VAL 7 CO 0.11 0.04 -0.15 -0.63 0.00 0.00 0.00 175.10 174.46 3n8k s ILE 8 N 1.97 1.64 -0.09 2.22 1.01 0.32 -1.79 121.20 126.49 3n8k s ILE 8 Ca 0.12 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 3n8k s ILE 8 Cb -0.16 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 3n8k s ILE 8 CO 0.11 0.47 -0.04 0.20 0.00 0.00 0.00 174.94 175.68 3n8k s ASN 9 N 1.37 4.86 0.05 3.58 0.01 -0.52 -0.99 114.94 123.30 3n8k s ASN 9 Ca 0.03 0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 3n8k s ASN 9 Cb -0.13 -1.36 0.00 0.00 0.41 0.00 0.00 41.25 40.17 3n8k s ASN 9 CO -0.09 0.34 0.00 0.61 -1.51 0.00 0.00 177.10 176.44 3n8k n GLY 10 N 2.39 1.40 3.56 0.66 0.00 0.16 -2.29 105.19 111.08 3n8k n GLY 10 Ca -0.18 -1.98 -0.44 0.00 0.00 0.00 0.00 46.02 43.42 3n8k n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n8k n PRO 11 N -0.26 1.15 -0.11 1.61 -0.02 -1.13 -2.89 135.00 133.35 3n8k n PRO 11 Ca 0.00 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3n8k n PRO 11 Cb 0.00 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 1.14 0.00 0.16 2.55 3.02 -1.26 -4.51 115.26 116.36 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 0.34 -0.59 0.32 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.91 -2.65 115.31 117.55 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 1.11 -1.20 1.22 0.83 0.00 -1.26 -3.31 105.19 102.58 3n8k n GLY 14 Ca 0.05 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.37 2.54 -1.72 1.61 5.12 -1.00 -4.71 116.66 117.13 3n8k n ARG 15 Ca 0.09 -2.39 -0.38 0.00 -1.93 0.00 0.00 57.85 53.24 3n8k n ARG 15 Cb 0.23 -1.52 0.05 0.00 -1.16 0.00 0.00 32.46 30.06 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 1.46 5.41 0.00 0.55 4.77 -1.21 -2.62 117.00 125.36 3n8k n LEU 16 Ca 0.22 0.91 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 3n8k n LEU 16 Cb 0.57 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 3n8k n LEU 16 CO 0.15 -0.89 0.00 0.61 -1.33 0.00 0.00 177.39 175.93 3n8k n GLY 17 N 0.88 2.79 0.13 -0.72 0.00 -1.09 -3.99 105.19 103.19 3n8k n GLY 17 Ca 0.13 -0.72 0.08 0.00 0.00 0.00 0.00 46.02 45.51 3n8k n GLY 17 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3n8k h ARG 18 N 0.00 0.00 -6.81 1.61 0.11 -1.85 -3.41 114.38 104.02 3n8k h ARG 18 Ca 0.00 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.54 3n8k h ARG 18 Cb 0.00 0.00 0.09 0.00 1.11 0.00 0.00 29.97 31.17 3n8k h ARG 18 CO 0.00 0.11 0.86 0.54 0.10 0.00 0.00 179.97 181.57 3n8k n ARG 19 N -2.82 2.69 0.00 0.08 5.12 -1.08 -4.57 116.66 116.08 3n8k n ARG 19 Ca -0.02 0.95 0.00 0.00 -1.93 0.00 0.00 57.85 56.86 3n8k n ARG 19 Cb 0.63 -2.73 0.00 0.00 -1.16 0.00 0.00 32.46 29.21 3n8k n ARG 19 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3n8k n GLU 20 N 1.87 0.00 0.25 5.56 4.71 -1.26 -4.53 120.64 127.25 3n8k n GLU 20 Ca 0.07 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.31 3n8k n GLU 20 Cb 0.37 0.00 0.64 0.00 -1.01 0.00 0.00 31.44 31.44 3n8k n GLU 20 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3n8k h PRO 21 N 0.00 0.00 0.00 3.49 0.11 -1.81 0.23 132.00 134.02 3n8k h PRO 21 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 3n8k h PRO 21 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3n8k h PRO 21 CO 0.00 0.09 -0.34 0.00 -0.21 0.00 0.00 178.00 177.54 3n8k h ALA 22 N 1.91 0.92 0.00 -0.75 0.00 -1.85 -2.75 119.26 116.74 3n8k h ALA 22 Ca -0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 54.91 54.18 3n8k h ALA 22 Cb 0.18 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3n8k h ALA 22 CO 0.01 0.42 -2.33 0.28 0.00 0.00 0.00 179.25 177.64 3n8k n VAL 23 N -3.38 1.53 -0.01 0.00 0.31 -0.50 -4.78 118.33 111.50 3n8k n VAL 23 Ca 0.01 -0.36 0.04 0.00 -0.01 0.00 0.00 64.34 64.01 3n8k n VAL 23 Cb 0.54 -1.85 -0.08 0.00 -0.91 0.00 0.00 33.84 31.54 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 -0.05 -4.45 117.16 116.06 3n8k n TYR 24 Ca -0.50 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.39 3n8k n TYR 24 Cb 0.87 -0.29 0.00 0.00 -0.02 0.00 0.00 39.34 39.91 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 1.97 -0.78 0.03 2.72 0.00 -1.04 -4.77 105.19 103.33 3n8k n GLY 25 Ca -0.04 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 0.00 -0.13 3.70 -0.02 0.00 -1.26 -4.16 105.19 103.31 3n8k n GLY 26 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.33 4.89 0.76 2.61 2.01 -1.26 -4.50 115.64 119.82 3n8k s THR 27 Ca 0.01 1.81 -0.12 0.00 0.31 0.00 0.00 61.69 63.70 3n8k s THR 27 Cb 0.01 -4.21 0.05 0.00 0.01 0.00 0.00 72.50 68.36 3n8k s THR 27 CO 0.01 0.11 1.12 0.42 -0.69 0.00 0.00 174.62 175.59 3n8k s THR 28 N 1.48 2.99 0.30 -0.82 -4.23 -1.26 -2.68 115.64 111.41 3n8k s THR 28 Ca 0.44 0.32 0.07 0.00 -1.18 0.00 0.00 61.69 61.35 3n8k s THR 28 Cb -0.18 -3.24 0.04 0.00 1.34 0.00 0.00 72.50 70.45 3n8k s THR 28 CO 0.19 -0.42 1.71 -0.74 -0.54 0.00 0.00 174.62 174.82 3n8k h HIS 29 N -0.90 0.23 -0.40 3.99 2.76 -1.83 -1.78 115.15 117.23 3n8k h HIS 29 Ca -0.46 -0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 57.56 3n8k h HIS 29 Cb 1.28 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 30.17 3n8k h HIS 29 CO 0.44 0.59 -0.10 -0.44 -1.30 0.00 0.00 177.93 177.12 3n8k h ASP 30 N 0.16 0.68 0.71 3.26 5.19 -1.93 -2.14 116.42 122.36 3n8k h ASP 30 Ca 0.01 -0.19 -0.14 0.00 -0.62 0.00 0.00 57.03 56.10 3n8k h ASP 30 Cb 0.82 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.13 3n8k h ASP 30 CO 0.06 0.81 -0.65 -0.33 -3.12 0.00 0.00 179.24 176.01 3n8k h GLU 31 N 0.64 0.00 -0.54 3.56 5.08 -1.89 -3.10 114.58 118.32 3n8k h GLU 31 Ca 0.11 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 3n8k h GLU 31 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3n8k h GLU 31 CO 0.03 0.65 -0.10 1.25 -1.00 0.00 0.00 179.01 179.84 3n8k h LEU 32 N 0.00 1.03 -0.57 1.33 5.85 -0.92 -2.73 115.31 119.28 3n8k h LEU 32 Ca -0.01 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 3n8k h LEU 32 Cb 1.18 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 3n8k h LEU 32 CO 0.08 1.13 0.09 0.58 -0.34 0.00 0.00 178.44 179.99 3n8k h VAL 33 N 0.91 1.26 -0.23 1.05 2.07 -1.42 -2.50 116.25 117.38 3n8k h VAL 33 Ca 0.14 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 3n8k h VAL 33 Cb 0.67 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3n8k h VAL 33 CO 0.05 0.36 -0.01 0.00 0.02 0.00 0.00 177.57 177.98 3n8k h ALA 34 N 1.00 1.55 0.06 1.67 0.00 -1.45 -0.38 119.26 121.72 3n8k h ALA 34 Ca 0.17 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.65 3n8k h ALA 34 Cb 0.42 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.12 3n8k h ALA 34 CO 0.01 0.33 -1.13 -0.07 0.00 0.00 0.00 179.25 178.39 3n8k h LEU 35 N 0.33 0.81 -0.38 0.00 3.38 -1.40 -2.96 115.31 115.09 3n8k h LEU 35 Ca 0.08 -0.70 -0.07 0.00 0.09 0.00 0.00 57.88 57.27 3n8k h LEU 35 Cb 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3n8k h LEU 35 CO 0.01 1.51 -0.04 0.40 0.09 0.00 0.00 178.44 180.41 3n8k h ILE 36 N 0.30 1.27 -0.07 1.22 2.04 -1.12 -1.76 117.51 119.39 3n8k h ILE 36 Ca -0.15 -1.07 -0.06 0.00 1.00 0.00 0.00 64.86 64.58 3n8k h ILE 36 Cb 1.80 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 3n8k h ILE 36 CO 0.21 0.36 -0.23 -0.33 0.00 0.00 0.00 178.15 178.17 3n8k h GLU 37 N 0.51 0.11 -0.09 2.37 5.08 -1.18 -1.37 114.58 120.02 3n8k h GLU 37 Ca 0.10 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 3n8k h GLU 37 Cb 0.53 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.78 3n8k h GLU 37 CO 0.03 0.34 -0.66 -0.09 -1.00 0.00 0.00 179.01 177.62 3n8k h ARG 38 N 0.11 0.60 -0.31 2.33 2.43 -1.41 -3.13 114.38 115.00 3n8k h ARG 38 Ca 0.02 -0.53 -0.16 0.00 -0.81 0.00 0.00 59.98 58.50 3n8k h ARG 38 Cb 0.46 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3n8k h ARG 38 CO 0.03 1.15 -0.43 1.49 -1.51 0.00 0.00 179.97 180.71 3n8k h GLU 39 N 0.23 0.79 -0.19 0.20 4.57 -1.08 -2.93 114.58 116.17 3n8k h GLU 39 Ca -0.06 -0.43 -0.12 0.00 -1.18 0.00 0.00 59.36 57.57 3n8k h GLU 39 Cb 1.32 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.92 3n8k h GLU 39 CO 0.14 1.06 -0.39 0.00 -1.18 0.00 0.00 179.01 178.63 3n8k h ALA 40 N 0.88 0.97 -0.18 2.92 0.00 -1.37 -2.52 119.26 119.96 3n8k h ALA 40 Ca 0.04 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 3n8k h ALA 40 Cb 1.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3n8k h ALA 40 CO 0.10 0.62 -0.37 0.00 0.00 0.00 0.00 179.25 179.60 3n8k h ALA 41 N 1.22 1.04 0.00 0.00 0.00 -1.51 0.14 119.26 120.14 3n8k h ALA 41 Ca 0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3n8k h ALA 41 Cb 0.85 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3n8k h ALA 41 CO 0.07 0.59 -0.30 0.93 0.00 0.00 0.00 179.25 180.54 3n8k h GLU 42 N 0.32 0.00 0.00 0.00 5.08 -1.35 -3.11 114.58 115.53 3n8k h GLU 42 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3n8k h GLU 42 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3n8k h GLU 42 CO 0.06 0.30 -0.72 1.28 -1.00 0.00 0.00 179.01 178.94 3n8k n LEU 43 N -3.28 0.61 -0.43 1.33 4.77 -0.96 -4.98 117.00 114.05 3n8k n LEU 43 Ca 0.01 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3n8k n LEU 43 Cb 0.56 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3n8k n LEU 43 CO 0.36 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3n8k n GLY 44 N 1.43 0.93 3.15 -0.72 0.00 -0.62 -4.96 105.19 104.39 3n8k n GLY 44 Ca 0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 2.48 -0.21 0.99 1.43 0.38 -4.78 118.68 118.12 3n8k s LEU 45 Ca 0.00 -0.95 -0.08 0.00 -1.03 0.00 0.00 54.13 52.06 3n8k s LEU 45 Cb 0.00 -0.06 -0.04 0.00 0.03 0.00 0.00 46.19 46.12 3n8k s LEU 45 CO 0.00 -0.45 0.10 -0.75 0.23 0.00 0.00 176.35 175.48 3n8k s LYS 46 N -3.57 3.99 -0.14 1.70 2.20 -1.16 -3.87 119.74 118.89 3n8k s LYS 46 Ca 0.09 -0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.40 3n8k s LYS 46 Cb 0.04 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 33.04 3n8k s LYS 46 CO -0.05 0.18 -0.21 0.00 -0.36 0.00 0.00 175.35 174.91 3n8k s ALA 47 N 0.67 2.19 -0.32 3.13 0.00 -1.26 -0.60 121.76 125.57 3n8k s ALA 47 Ca 0.05 -1.07 -0.08 0.00 0.00 0.00 0.00 51.96 50.86 3n8k s ALA 47 Cb -0.13 -1.00 0.01 0.00 0.00 0.00 0.00 23.12 22.01 3n8k s ALA 47 CO 0.01 -0.08 0.12 0.08 0.00 0.00 0.00 175.76 175.90 3n8k s VAL 48 N 0.90 4.18 -0.25 0.00 1.01 -0.96 -4.92 120.40 120.35 3n8k s VAL 48 Ca -0.05 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 3n8k s VAL 48 Cb -0.15 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3n8k s VAL 48 CO -0.03 -0.02 0.11 -0.69 0.00 0.00 0.00 175.10 174.47 3n8k s VAL 49 N 1.52 4.70 -0.01 2.92 1.01 -1.26 -0.54 120.40 128.75 3n8k s VAL 49 Ca 0.02 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3n8k s VAL 49 Cb -0.18 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 3n8k s VAL 49 CO 0.04 0.32 -0.05 -0.13 0.00 0.00 0.00 175.10 175.28 3n8k s ARG 50 N 1.57 0.42 -0.04 2.72 0.52 -0.74 -5.02 118.95 118.39 3n8k s ARG 50 Ca 0.06 -0.17 0.05 0.00 -0.52 0.00 0.00 55.73 55.15 3n8k s ARG 50 Cb -0.15 -0.42 -0.01 0.00 0.52 0.00 0.00 34.95 34.89 3n8k s ARG 50 CO 0.06 0.10 -0.19 -1.14 0.02 0.00 0.00 175.30 174.15 3n8k s GLN 51 N -0.05 1.79 -0.10 3.54 -0.44 -1.26 -1.44 119.66 121.69 3n8k s GLN 51 Ca 0.01 -0.66 -0.18 0.00 -2.50 0.00 0.00 55.36 52.03 3n8k s GLN 51 Cb -0.03 -1.60 0.04 0.00 -1.64 0.00 0.00 33.01 29.79 3n8k s GLN 51 CO -0.00 0.31 0.45 0.45 0.50 0.00 0.00 175.29 177.00 3n8k s SER 52 N -0.14 -0.42 0.00 6.67 0.15 -0.97 -5.01 113.70 113.98 3n8k s SER 52 Ca -0.00 0.62 0.26 0.00 0.70 0.00 0.00 55.95 57.53 3n8k s SER 52 Cb -0.10 0.68 0.62 0.00 -1.71 0.00 0.00 66.02 65.50 3n8k s SER 52 CO 0.01 -0.33 1.48 0.47 1.20 0.00 0.00 173.24 176.08 3n8k n ASP 53 N 2.00 0.64 -4.70 5.45 8.00 -1.26 -2.84 116.55 123.83 3n8k n ASP 53 Ca -0.17 -0.43 -0.38 0.00 0.71 0.00 0.00 54.79 54.52 3n8k n ASP 53 Cb 0.57 0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 41.79 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 -2.84 6.61 0.18 -2.24 0.15 -1.26 -4.64 113.70 109.66 3n8k s SER 54 Ca 0.15 0.73 -0.12 0.00 0.70 0.00 0.00 55.95 57.41 3n8k s SER 54 Cb 0.18 -2.28 0.10 0.00 -1.71 0.00 0.00 66.02 62.31 3n8k s SER 54 CO 0.64 -0.06 1.82 -0.08 1.20 0.00 0.00 173.24 176.76 3n8k h GLU 55 N 7.01 0.84 -0.34 5.44 4.81 -2.00 -2.75 114.58 127.59 3n8k h GLU 55 Ca -0.38 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 58.72 3n8k h GLU 55 Cb 1.17 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 3n8k h GLU 55 CO 0.75 0.61 -0.02 0.00 -0.73 0.00 0.00 179.01 179.61 3n8k h ALA 56 N 1.19 1.34 -0.24 2.92 0.00 -1.99 -1.25 119.26 121.24 3n8k h ALA 56 Ca 0.22 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3n8k h ALA 56 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3n8k h ALA 56 CO -0.04 0.45 -0.38 0.37 0.00 0.00 0.00 179.25 179.65 3n8k h GLN 57 N 0.50 0.54 -0.11 0.00 5.75 -1.93 -2.43 115.11 117.44 3n8k h GLN 57 Ca 0.11 -0.26 -0.18 0.00 -0.15 0.00 0.00 58.65 58.16 3n8k h GLN 57 Cb 0.36 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 3n8k h GLN 57 CO 0.01 0.84 -0.70 -0.07 -2.65 0.00 0.00 178.83 176.26 3n8k h LEU 58 N 0.45 0.56 -1.12 -2.39 3.38 -1.18 -3.17 115.31 111.85 3n8k h LEU 58 Ca 0.04 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 3n8k h LEU 58 Cb 0.87 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3n8k h LEU 58 CO 0.07 1.10 -0.01 -0.07 0.09 0.00 0.00 178.44 179.62 3n8k h LEU 59 N 0.34 0.58 -0.58 1.67 3.38 -1.08 -2.90 115.31 116.71 3n8k h LEU 59 Ca -0.03 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.67 3n8k h LEU 59 Cb 1.27 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3n8k h LEU 59 CO 0.13 0.65 -0.49 -0.78 0.09 0.00 0.00 178.44 178.04 3n8k h ASP 60 N 0.58 0.60 0.10 -0.43 3.58 -1.46 -2.73 116.42 116.66 3n8k h ASP 60 Ca 0.12 -0.30 -0.13 0.00 0.42 0.00 0.00 57.03 57.14 3n8k h ASP 60 Cb 0.38 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 3n8k h ASP 60 CO 0.01 0.99 -0.46 -0.50 -2.88 0.00 0.00 179.24 176.41 3n8k h TRP 61 N 0.44 0.51 0.00 0.28 6.55 -1.49 -2.08 115.95 120.17 3n8k h TRP 61 Ca 0.02 -0.16 0.00 0.00 0.95 0.00 0.00 58.89 59.70 3n8k h TRP 61 Cb 1.02 -0.11 0.00 0.00 -0.86 0.00 0.00 29.16 29.21 3n8k h TRP 61 CO 0.04 0.81 -0.15 -0.84 -1.05 0.00 0.00 178.44 177.25 3n8k h ILE 62 N 0.34 0.00 -0.03 1.49 3.07 -1.54 -2.59 117.51 118.25 3n8k h ILE 62 Ca 0.02 -0.76 -0.22 0.00 1.55 0.00 0.00 64.86 65.45 3n8k h ILE 62 Cb 0.94 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 39.17 3n8k h ILE 62 CO 0.08 0.00 -0.90 0.45 -1.05 0.00 0.00 178.15 176.73 3n8k h HIS 63 N 0.00 0.70 -0.12 0.16 3.86 -1.27 -2.36 115.15 116.13 3n8k h HIS 63 Ca 0.00 -0.36 -0.11 0.00 -1.16 0.00 0.00 60.37 58.73 3n8k h HIS 63 Cb 0.88 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 3n8k h HIS 63 CO 0.00 1.18 -0.42 1.96 0.86 0.00 0.00 177.93 181.50 3n8k h GLN 64 N 0.29 0.27 0.00 2.45 4.20 -1.34 -2.53 115.11 118.45 3n8k h GLN 64 Ca -0.08 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.40 3n8k h GLN 64 Cb 1.53 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.30 3n8k h GLN 64 CO 0.16 0.65 -0.50 0.00 -0.67 0.00 0.00 178.83 178.47 3n8k h ALA 65 N 1.34 0.81 -0.15 3.87 0.00 -1.48 -2.61 119.26 121.03 3n8k h ALA 65 Ca 0.02 -0.45 -0.22 0.00 0.00 0.00 0.00 54.91 54.26 3n8k h ALA 65 Cb 0.85 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.57 3n8k h ALA 65 CO 0.07 0.62 -0.77 0.00 0.00 0.00 0.00 179.25 179.17 3n8k h ALA 66 N 1.50 0.29 -0.07 0.00 0.00 -1.21 0.20 119.26 119.97 3n8k h ALA 66 Ca -0.00 -0.60 -0.17 0.00 0.00 0.00 0.00 54.91 54.14 3n8k h ALA 66 Cb 1.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3n8k h ALA 66 CO 0.06 0.66 -0.69 -0.44 0.00 0.00 0.00 179.25 178.85 3n8k h ASP 67 N 0.51 0.39 0.02 0.00 3.32 -1.49 -3.13 116.42 116.05 3n8k h ASP 67 Ca -0.05 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3n8k h ASP 67 Cb 1.40 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3n8k h ASP 67 CO 0.16 0.96 -0.04 0.00 -1.72 0.00 0.00 179.24 178.59 3n8k n ALA 68 N -2.49 2.65 -3.74 3.45 0.00 -0.99 -4.96 120.51 114.44 3n8k n ALA 68 Ca -0.03 -0.45 -0.22 0.00 0.00 0.00 0.00 53.44 52.73 3n8k n ALA 68 Cb 0.68 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 19.02 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 0.11 -1.93 -2.76 0.00 0.00 -0.72 -5.00 120.51 110.22 3n8k n ALA 69 Ca 0.18 -0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 3n8k n ALA 69 Cb 0.37 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 17.51 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 -6.08 3.25 0.58 0.00 2.02 0.62 -4.62 118.70 114.47 3n8k s GLU 70 Ca 0.08 -0.43 -0.20 0.00 0.02 0.00 0.00 54.97 54.44 3n8k s GLU 70 Cb -0.04 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 3n8k s GLU 70 CO 0.82 0.54 1.23 -2.14 0.02 0.00 0.00 175.26 175.73 3n8k s PRO 71 N -0.45 3.04 -0.12 0.39 0.02 -1.25 -4.68 135.00 131.94 3n8k s PRO 71 Ca 0.08 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.00 3n8k s PRO 71 Cb -0.12 -2.01 0.02 0.00 0.02 0.00 0.00 34.50 32.41 3n8k s PRO 71 CO 0.02 -1.17 -0.11 0.08 -0.33 0.00 0.00 177.00 175.48 3n8k s VAL 72 N -1.53 1.30 -0.46 3.83 1.01 -1.13 -0.97 120.40 122.45 3n8k s VAL 72 Ca 0.76 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 62.06 3n8k s VAL 72 Cb -0.32 -1.24 0.04 0.00 0.00 0.00 0.00 36.38 34.85 3n8k s VAL 72 CO 0.36 0.41 0.61 -0.63 0.00 0.00 0.00 175.10 175.85 3n8k s ILE 73 N 1.43 4.87 -0.12 2.22 1.01 0.29 -1.56 121.20 129.34 3n8k s ILE 73 Ca 0.02 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.51 3n8k s ILE 73 Cb -0.13 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 3n8k s ILE 73 CO -0.07 -0.66 -0.17 -0.22 0.00 0.00 0.00 174.94 173.82 3n8k s LEU 74 N 2.68 2.50 -0.35 2.97 2.96 -0.38 -0.52 118.68 128.54 3n8k s LEU 74 Ca 0.18 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3n8k s LEU 74 Cb -0.16 -1.55 0.11 0.00 0.50 0.00 0.00 46.19 45.09 3n8k s LEU 74 CO 0.16 0.15 0.11 0.21 -1.32 0.00 0.00 176.35 175.66 3n8k s ASN 75 N 0.42 4.22 0.13 3.68 2.47 -0.16 -2.14 114.94 123.55 3n8k s ASN 75 Ca -0.12 -2.02 0.26 0.00 0.42 0.00 0.00 52.86 51.40 3n8k s ASN 75 Cb -0.16 -1.17 0.96 0.00 -1.45 0.00 0.00 41.25 39.43 3n8k s ASN 75 CO 0.06 -0.37 1.81 0.00 -3.72 0.00 0.00 177.10 174.88 3n8k n ALA 76 N 4.37 2.22 -0.48 1.71 0.00 -1.26 0.36 120.51 127.43 3n8k n ALA 76 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3n8k n ALA 76 Cb 0.40 -1.45 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 1.22 2.65 0.15 0.00 0.00 -1.26 -2.64 105.19 105.31 3n8k n GLY 77 Ca 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 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 0.15 2.00 -0.02 0.00 -1.94 -3.18 103.07 100.09 3n8k h GLY 78 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3n8k h GLY 78 CO 0.00 0.18 0.00 1.04 0.00 0.00 0.00 176.54 177.76 3n8k n LEU 79 N -3.82 0.34 -0.17 3.11 4.77 -1.08 -2.79 117.00 117.35 3n8k n LEU 79 Ca -0.02 0.59 0.06 0.00 -0.03 0.00 0.00 56.01 56.61 3n8k n LEU 79 Cb 0.64 -0.56 0.36 0.00 -2.33 0.00 0.00 43.42 41.52 3n8k n LEU 79 CO 0.44 -0.46 1.21 0.74 -1.33 0.00 0.00 177.39 177.99 3n8k h THR 80 N 0.00 1.03 -0.02 -5.08 2.02 -1.71 -1.20 112.91 107.96 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 0.26 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3n8k h THR 80 CO 0.00 0.14 -0.39 1.41 0.37 0.00 0.00 175.52 177.04 3n8k n HIS 81 N -4.48 0.00 0.00 3.16 8.25 -1.12 -2.25 115.22 118.78 3n8k n HIS 81 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3n8k n HIS 81 Cb 0.21 -0.01 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 0.15 0.00 -2.89 1.59 -2.24 -1.14 -4.82 114.28 104.94 3n8k n THR 82 Ca 0.10 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.45 3n8k n THR 82 Cb 0.48 -0.46 -0.05 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.55 6.36 0.07 3.42 0.15 -0.46 -4.87 113.70 115.83 3n8k s SER 83 Ca 0.00 -0.29 0.04 0.00 0.70 0.00 0.00 55.95 56.39 3n8k s SER 83 Cb 0.00 -2.42 -0.24 0.00 -1.71 0.00 0.00 66.02 61.66 3n8k s SER 83 CO 0.00 -1.12 1.11 0.58 1.20 0.00 0.00 173.24 175.02 3n8k h VAL 84 N 6.01 1.49 -0.67 4.45 2.07 -1.96 -3.26 116.25 124.38 3n8k h VAL 84 Ca -0.26 -3.17 0.03 0.00 0.82 0.00 0.00 66.70 64.12 3n8k h VAL 84 Cb 1.08 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 33.62 3n8k h VAL 84 CO 1.04 0.88 0.44 0.00 0.02 0.00 0.00 177.57 179.96 3n8k h ALA 85 N 0.83 1.60 -0.15 1.67 0.00 -1.99 -1.50 119.26 119.73 3n8k h ALA 85 Ca -0.10 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 3n8k h ALA 85 Cb 1.88 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 3n8k h ALA 85 CO 0.15 0.34 -0.43 1.25 0.00 0.00 0.00 179.25 180.55 3n8k h LEU 86 N 0.83 0.37 -0.59 0.00 5.85 -1.95 -2.87 115.31 116.94 3n8k h LEU 86 Ca 0.26 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 3n8k h LEU 86 Cb 0.03 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3n8k h LEU 86 CO -0.07 0.76 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.60 3n8k h ARG 87 N 0.29 1.02 0.00 1.25 2.43 -1.35 -2.43 114.38 115.59 3n8k h ARG 87 Ca 0.02 -0.37 -0.09 0.00 -0.81 0.00 0.00 59.98 58.73 3n8k h ARG 87 Cb 0.88 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 3n8k h ARG 87 CO 0.07 1.05 -0.44 -0.44 -1.51 0.00 0.00 179.97 178.70 3n8k h ASP 88 N 0.91 0.00 0.69 -3.80 3.32 -1.27 -2.42 116.42 113.84 3n8k h ASP 88 Ca 0.14 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.95 3n8k h ASP 88 Cb 0.66 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 3n8k h ASP 88 CO 0.05 0.44 -1.11 0.00 -1.72 0.00 0.00 179.24 176.90 3n8k h ALA 89 N 1.56 0.24 0.00 3.45 0.00 -1.45 -3.23 119.26 119.82 3n8k h ALA 89 Ca -0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 3n8k h ALA 89 Cb 0.91 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3n8k h ALA 89 CO 0.06 1.01 -0.07 0.00 0.00 0.00 0.00 179.25 180.26 3n8k h ALA 91 N 1.93 1.25 0.00 0.00 0.00 -1.45 -2.65 119.26 118.34 3n8k h ALA 91 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3n8k h ALA 91 Cb 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3n8k h ALA 91 CO 0.01 0.19 0.00 0.93 0.00 0.00 0.00 179.25 180.38 3n8k h GLU 92 N 0.00 0.00 -6.21 0.00 5.08 -1.69 -3.44 114.58 108.31 3n8k h GLU 92 Ca -0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3n8k h GLU 92 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3n8k h GLU 92 CO 0.02 0.00 1.31 -0.51 -1.00 0.00 0.00 179.01 178.83 3n8k s LEU 93 N -6.11 3.55 0.13 1.33 1.43 -1.00 -4.86 118.68 113.15 3n8k s LEU 93 Ca 0.04 1.51 -0.06 0.00 -1.03 0.00 0.00 54.13 54.59 3n8k s LEU 93 Cb 0.07 -3.52 -0.07 0.00 0.03 0.00 0.00 46.19 42.70 3n8k s LEU 93 CO 0.59 -1.71 1.33 0.77 0.23 0.00 0.00 176.35 177.56 3n8k h SER 94 N 13.13 0.62 -4.00 2.29 4.64 -1.87 -3.45 113.55 124.92 3n8k h SER 94 Ca -0.36 -0.46 -0.47 0.00 -0.47 0.00 0.00 61.79 60.03 3n8k h SER 94 Cb 1.19 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 63.10 3n8k h SER 94 CO 1.01 1.24 0.38 0.00 -0.87 0.00 0.00 176.83 178.59 3n8k s ALA 95 N -3.45 3.04 0.39 5.18 0.00 -1.26 -5.00 121.76 120.67 3n8k s ALA 95 Ca -0.07 0.60 -0.25 0.00 0.00 0.00 0.00 51.96 52.24 3n8k s ALA 95 Cb 0.09 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.86 3n8k s ALA 95 CO 0.87 -0.12 0.96 -2.30 0.00 0.00 0.00 175.76 175.16 3n8k n PRO 96 N -0.34 1.26 -5.07 0.00 -0.02 -1.26 -4.72 135.00 124.85 3n8k n PRO 96 Ca 0.06 0.45 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 3n8k n PRO 96 Cb 0.51 -1.94 -0.17 0.00 -0.02 0.00 0.00 33.50 31.88 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 -0.07 2.01 -0.04 2.45 2.96 -1.26 -2.83 118.68 121.89 3n8k s LEU 97 Ca 0.62 -0.51 0.06 0.00 -0.22 0.00 0.00 54.13 54.08 3n8k s LEU 97 Cb -0.59 -1.31 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 3n8k s LEU 97 CO 0.58 0.13 -0.23 0.27 -1.32 0.00 0.00 176.35 175.78 3n8k s ILE 98 N 0.43 1.88 -0.16 6.68 -0.00 -0.60 0.53 121.20 129.96 3n8k s ILE 98 Ca -0.17 -0.98 -0.10 0.00 -0.00 0.00 0.00 60.65 59.40 3n8k s ILE 98 Cb -0.17 -1.58 -0.05 0.00 -0.00 0.00 0.00 42.46 40.66 3n8k s ILE 98 CO 0.07 0.53 0.16 -0.70 -0.00 0.00 0.00 174.94 175.00 3n8k s GLU 99 N -0.26 3.91 -0.04 0.37 2.12 0.02 -1.25 118.70 123.57 3n8k s GLU 99 Ca 0.01 -0.13 0.04 0.00 0.36 0.00 0.00 54.97 55.25 3n8k s GLU 99 Cb -0.12 -3.33 -0.00 0.00 0.26 0.00 0.00 34.13 30.94 3n8k s GLU 99 CO 0.02 0.49 -0.15 0.08 -0.54 0.00 0.00 175.26 175.15 3n8k s VAL 100 N -0.20 1.28 -0.01 3.70 1.01 -0.91 -0.26 120.40 125.01 3n8k s VAL 100 Ca 0.12 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3n8k s VAL 100 Cb -0.12 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 3n8k s VAL 100 CO 0.01 0.37 -0.06 -1.00 0.00 0.00 0.00 175.10 174.42 3n8k s HIS 101 N 0.03 0.64 -0.04 5.22 3.76 0.38 -4.45 115.29 120.83 3n8k s HIS 101 Ca -0.03 -0.13 -0.19 0.00 -0.15 0.00 0.00 55.06 54.56 3n8k s HIS 101 Cb -0.10 -0.44 -0.13 0.00 1.11 0.00 0.00 32.58 33.01 3n8k s HIS 101 CO 0.02 -0.04 0.82 0.82 -0.85 0.00 0.00 174.74 175.51 3n8k h ILE 102 N 5.18 0.51 -3.68 0.60 2.04 -1.87 -1.79 117.51 118.49 3n8k h ILE 102 Ca -0.31 -0.87 -0.48 0.00 1.00 0.00 0.00 64.86 64.20 3n8k h ILE 102 Cb 1.18 0.83 0.05 0.00 -0.74 0.00 0.00 36.82 38.14 3n8k h ILE 102 CO 0.50 0.12 0.17 -0.94 0.00 0.00 0.00 178.15 178.00 3n8k s SER 103 N -5.22 5.85 -0.64 1.72 1.04 -1.26 -1.57 113.70 113.62 3n8k s SER 103 Ca -0.11 0.84 -0.27 0.00 0.48 0.00 0.00 55.95 56.88 3n8k s SER 103 Cb 0.01 -1.94 0.01 0.00 0.10 0.00 0.00 66.02 64.20 3n8k s SER 103 CO 0.39 -0.89 1.49 0.21 0.98 0.00 0.00 173.24 175.42 3n8k s ASN 104 N -4.23 5.91 0.27 7.02 3.84 -1.26 -2.72 114.94 123.77 3n8k s ASN 104 Ca 0.52 0.04 -0.03 0.00 0.21 0.00 0.00 52.86 53.59 3n8k s ASN 104 Cb -0.10 -2.55 0.37 0.00 -0.55 0.00 0.00 41.25 38.41 3n8k s ASN 104 CO 0.46 -1.93 1.92 0.58 -2.79 0.00 0.00 177.10 175.34 3n8k h VAL 105 N 6.39 1.18 0.00 -5.21 2.07 -1.94 -2.33 116.25 116.41 3n8k h VAL 105 Ca -0.27 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3n8k h VAL 105 Cb 1.10 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3n8k h VAL 105 CO 1.22 0.23 0.00 1.41 0.02 0.00 0.00 177.57 180.45 3n8k n HIS 106 N -4.43 0.00 -0.25 1.57 8.25 -1.26 -2.60 115.22 116.49 3n8k n HIS 106 Ca 0.13 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.69 3n8k n HIS 106 Cb 0.09 -0.42 0.31 0.00 1.12 0.00 0.00 29.99 31.09 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 -1.42 2.60 -2.98 -1.41 0.00 -0.88 -4.93 120.51 111.49 3n8k n ALA 107 Ca 0.08 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.24 3n8k n ALA 107 Cb 0.26 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.36 2.44 -1.72 0.00 1.74 -1.07 -5.07 116.66 114.33 3n8k n ARG 108 Ca 0.23 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.98 3n8k n ARG 108 Cb 0.66 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.15 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 4.81 2.74 0.14 5.56 8.01 -1.26 -4.98 118.70 133.72 3n8k s GLU 109 Ca 0.00 1.40 -0.11 0.00 0.01 0.00 0.00 54.97 56.27 3n8k s GLU 109 Cb 0.00 -1.94 -0.04 0.00 -4.31 0.00 0.00 34.13 27.83 3n8k s GLU 109 CO 0.00 -1.30 1.48 1.49 0.01 0.00 0.00 175.26 176.94 3n8k h GLU 110 N -0.03 0.92 0.00 1.61 4.22 -1.96 -2.92 114.58 116.41 3n8k h GLU 110 Ca -0.47 -0.47 0.00 0.00 0.08 0.00 0.00 59.36 58.50 3n8k h GLU 110 Cb 1.25 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3n8k h GLU 110 CO 0.54 1.13 0.00 1.97 -2.18 0.00 0.00 179.01 180.46 3n8k n PHE 111 N -4.10 0.54 0.12 0.92 1.16 -1.26 -1.39 117.46 113.45 3n8k n PHE 111 Ca -0.02 0.24 0.03 0.00 -1.87 0.00 0.00 57.45 55.83 3n8k n PHE 111 Cb 0.53 -0.89 0.01 0.00 -1.61 0.00 0.00 39.48 37.51 3n8k n PHE 111 CO 0.00 0.00 0.00 -0.09 -1.87 0.00 0.00 176.76 174.80 3n8k h ARG 112 N 0.00 0.00 0.00 3.97 2.43 -1.84 -3.33 114.38 115.61 3n8k h ARG 112 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3n8k h ARG 112 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3n8k h ARG 112 CO 0.00 0.38 0.00 0.54 -1.51 0.00 0.00 179.97 179.38 3n8k n ARG 113 N -3.10 0.70 -4.03 0.20 1.74 -0.49 -4.60 116.66 107.08 3n8k n ARG 113 Ca -0.01 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 3n8k n ARG 113 Cb 0.73 -1.34 -0.16 0.00 -1.02 0.00 0.00 32.46 30.67 3n8k n ARG 113 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3n8k s HIS 114 N -2.00 2.27 -0.01 -1.55 3.76 -1.25 -5.04 115.29 111.46 3n8k s HIS 114 Ca 0.23 -1.29 0.06 0.00 -0.15 0.00 0.00 55.06 53.91 3n8k s HIS 114 Cb 0.11 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 32.12 3n8k s HIS 114 CO 0.18 -0.69 -0.18 -1.12 -0.85 0.00 0.00 174.74 172.08 3n8k s SER 115 N 1.46 3.75 0.22 1.40 0.01 -1.26 -4.47 113.70 114.81 3n8k s SER 115 Ca 0.05 -0.33 0.16 0.00 1.31 0.00 0.00 55.95 57.14 3n8k s SER 115 Cb -0.13 -0.66 0.01 0.00 0.21 0.00 0.00 66.02 65.45 3n8k s SER 115 CO -0.11 0.31 1.27 1.88 0.41 0.00 0.00 173.24 177.00 3n8k h TYR 116 N 5.10 0.00 0.00 2.43 0.05 -1.77 -3.36 116.97 119.42 3n8k h TYR 116 Ca -0.46 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.16 3n8k h TYR 116 Cb 1.15 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.86 3n8k h TYR 116 CO 0.49 0.51 -0.85 -0.07 -1.05 0.00 0.00 178.16 177.19 3n8k h LEU 117 N 0.00 0.00 -0.71 3.88 3.38 -1.90 -3.38 115.31 116.57 3n8k h LEU 117 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3n8k h LEU 117 Cb 1.43 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 3n8k h LEU 117 CO 0.06 0.72 0.20 0.28 0.09 0.00 0.00 178.44 179.79 3n8k h SER 118 N 0.00 1.06 0.66 -0.43 0.02 -1.93 -2.39 113.55 110.55 3n8k h SER 118 Ca -0.04 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3n8k h SER 118 Cb 1.59 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.85 3n8k h SER 118 CO 0.09 1.00 0.00 -2.65 -1.14 0.00 0.00 176.83 174.13 3n8k n PRO 119 N -4.26 0.10 0.00 3.45 -0.02 -1.26 -3.17 135.00 129.84 3n8k n PRO 119 Ca 0.05 0.32 0.03 0.00 -2.02 0.00 0.00 63.50 61.88 3n8k n PRO 119 Cb 0.24 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 -1.87 0.00 -2.80 4.25 -6.64 -1.13 -5.03 119.36 106.14 3n8k n ILE 120 Ca 0.03 -0.45 -0.26 0.00 -1.77 0.00 0.00 62.75 60.30 3n8k n ILE 120 Cb 0.21 1.06 -0.00 0.00 -1.44 0.00 0.00 39.64 39.47 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 -0.90 3.47 -0.08 -1.28 0.00 -0.91 -4.91 121.76 117.15 3n8k s ALA 121 Ca 0.04 -0.61 -0.18 0.00 0.00 0.00 0.00 51.96 51.22 3n8k s ALA 121 Cb 0.04 -2.48 -0.14 0.00 0.00 0.00 0.00 23.12 20.55 3n8k s ALA 121 CO 0.13 -0.29 0.65 1.15 0.00 0.00 0.00 175.76 177.40 3n8k h THR 122 N 0.33 0.80 -3.51 0.00 2.02 -0.24 -3.48 112.91 108.83 3n8k h THR 122 Ca -0.47 -1.31 -0.30 0.00 0.77 0.00 0.00 66.41 65.10 3n8k h THR 122 Cb 1.21 1.43 -0.15 0.00 -1.74 0.00 0.00 68.15 68.90 3n8k h THR 122 CO 0.61 0.24 -0.71 -0.83 0.37 0.00 0.00 175.52 175.20 3n8k s GLY 123 N -3.50 0.98 -0.04 2.16 0.00 -1.15 -5.04 107.32 100.73 3n8k s GLY 123 Ca -0.11 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.17 3n8k s GLY 123 CO 0.40 -1.54 -0.02 0.14 0.00 0.00 0.00 173.10 172.08 3n8k s VAL 124 N -3.37 0.35 -0.15 1.40 1.01 -1.26 -0.80 120.40 117.57 3n8k s VAL 124 Ca 0.15 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.17 3n8k s VAL 124 Cb 0.03 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.99 3n8k s VAL 124 CO -0.01 0.20 -0.21 -0.63 0.00 0.00 0.00 175.10 174.45 3n8k s ILE 125 N 1.19 2.06 -0.03 2.22 1.01 0.65 -4.97 121.20 123.33 3n8k s ILE 125 Ca -0.07 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.62 3n8k s ILE 125 Cb -0.14 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 40.52 3n8k s ILE 125 CO -0.02 0.55 -0.03 -0.69 0.00 0.00 0.00 174.94 174.75 3n8k s VAL 126 N 0.98 0.40 0.00 2.92 1.01 -1.26 -0.47 120.40 123.98 3n8k s VAL 126 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3n8k s VAL 126 Cb -0.15 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.80 3n8k s VAL 126 CO -0.06 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3n8k n GLY 127 N 3.93 0.70 1.62 4.51 0.00 -0.67 -4.81 105.19 110.47 3n8k n GLY 127 Ca -0.25 0.00 0.05 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 4.82 0.00 0.99 4.77 -1.21 -4.56 117.00 121.80 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 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 3n8k n LEU 128 CO 0.00 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3n8k n GLY 129 N 0.50 1.62 0.19 -0.72 0.00 -0.61 -3.24 105.19 102.93 3n8k n GLY 129 Ca 0.22 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.76 3n8k n GLY 129 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3n8k h ILE 130 N 0.00 0.00 0.00 -0.61 6.09 -1.88 -3.03 117.51 118.09 3n8k h ILE 130 Ca 0.00 -0.63 0.00 0.00 -1.37 0.00 0.00 64.86 62.86 3n8k h ILE 130 Cb 0.00 1.59 0.00 0.00 0.47 0.00 0.00 36.82 38.88 3n8k h ILE 130 CO 0.00 0.00 0.00 -0.61 -3.07 0.00 0.00 178.15 174.47 3n8k h GLN 131 N 0.00 0.00 -0.79 2.19 4.15 -1.97 -3.31 115.11 115.38 3n8k h GLN 131 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.48 3n8k h GLN 131 Cb 0.71 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.35 3n8k h GLN 131 CO 0.00 0.00 0.52 0.78 -1.93 0.00 0.00 178.83 178.20 3n8k h GLY 132 N 3.95 1.09 1.12 2.39 0.00 -1.55 -1.97 103.07 108.11 3n8k h GLY 132 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 3n8k h GLY 132 CO 0.00 0.27 -0.04 -0.97 0.00 0.00 0.00 176.54 175.80 3n8k h TYR 133 N 0.88 1.15 -0.01 5.60 -1.99 -1.80 -2.85 116.97 117.94 3n8k h TYR 133 Ca 0.33 -0.21 -0.12 0.00 2.00 0.00 0.00 58.73 60.73 3n8k h TYR 133 Cb 0.19 -0.30 -0.02 0.00 2.00 0.00 0.00 36.73 38.61 3n8k h TYR 133 CO -0.00 1.03 -0.56 -0.07 -0.00 0.00 0.00 178.16 178.56 3n8k h LEU 134 N 0.95 0.05 -0.33 3.88 3.38 -1.59 -2.89 115.31 118.75 3n8k h LEU 134 Ca 0.16 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3n8k h LEU 134 Cb 0.60 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3n8k h LEU 134 CO 0.04 0.60 -0.40 -0.07 0.09 0.00 0.00 178.44 178.70 3n8k h LEU 135 N 0.03 0.00 -0.54 1.67 3.38 -1.35 -2.99 115.31 115.51 3n8k h LEU 135 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 3n8k h LEU 135 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3n8k h LEU 135 CO 0.08 0.40 -0.68 0.00 0.09 0.00 0.00 178.44 178.33 3n8k h ALA 136 N 1.60 0.75 -0.23 1.53 0.00 -1.33 -3.14 119.26 118.44 3n8k h ALA 136 Ca -0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 3n8k h ALA 136 Cb 1.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3n8k h ALA 136 CO 0.05 0.78 -0.32 -0.07 0.00 0.00 0.00 179.25 179.69 3n8k h LEU 137 N 0.17 0.48 -0.92 0.00 3.38 -1.44 -3.14 115.31 113.84 3n8k h LEU 137 Ca -0.02 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 3n8k h LEU 137 Cb 1.22 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3n8k h LEU 137 CO 0.11 0.77 -0.26 -0.09 0.09 0.00 0.00 178.44 179.05 3n8k h ARG 138 N 0.40 0.49 -0.41 1.13 2.43 -1.49 -3.09 114.38 113.84 3n8k h ARG 138 Ca 0.05 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 3n8k h ARG 138 Cb 0.75 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 3n8k h ARG 138 CO 0.06 0.71 0.04 -0.92 -1.51 0.00 0.00 179.97 178.35 3n8k h TYR 139 N 0.43 0.75 0.00 2.20 3.20 -1.50 -3.18 116.97 118.86 3n8k h TYR 139 Ca 0.06 -0.11 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 3n8k h TYR 139 Cb 0.69 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3n8k h TYR 139 CO 0.02 0.74 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.98 3n8k h LEU 140 N 0.55 0.00 -0.29 2.82 3.38 -1.54 0.15 115.31 120.37 3n8k h LEU 140 Ca 0.12 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 3n8k h LEU 140 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3n8k h LEU 140 CO 0.01 0.23 -0.86 0.00 0.09 0.00 0.00 178.44 177.92 3n8k h ALA 141 N 1.77 0.58 0.11 1.53 0.00 -1.56 -3.34 119.26 118.36 3n8k h ALA 141 Ca -0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 54.91 53.84 3n8k h ALA 141 Cb 0.56 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3n8k h ALA 141 CO 0.03 1.05 -1.54 0.93 0.00 0.00 0.00 179.25 179.72 3n8k h GLU 142 N 0.01 0.24 -0.03 0.00 3.07 -1.42 -3.53 114.58 112.92 3n8k h GLU 142 Ca -0.01 -0.40 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 3n8k h GLU 142 Cb 1.51 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.57 3n8k h GLU 142 CO 0.11 1.19 0.00 1.58 -1.40 0.00 0.00 179.01 180.50