#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 5.07 -0.13 -0.08 1.01 -1.26 -1.10 121.20 124.71 3n8k s ILE 4 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.74 3n8k s ILE 4 Cb 0.00 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.15 3n8k s ILE 4 CO 0.00 0.42 -0.19 -0.69 0.00 0.00 0.00 174.94 174.48 3n8k s VAL 5 N 0.57 2.38 -0.29 2.92 1.01 -0.06 -4.03 120.40 122.90 3n8k s VAL 5 Ca 0.06 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 3n8k s VAL 5 Cb -0.12 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3n8k s VAL 5 CO 0.01 0.54 0.38 0.20 0.00 0.00 0.00 175.10 176.23 3n8k s ASN 6 N 0.57 6.24 -0.35 3.32 0.01 -0.73 -1.33 114.94 122.66 3n8k s ASN 6 Ca -0.12 0.18 -0.12 0.00 -0.71 0.00 0.00 52.86 52.09 3n8k s ASN 6 Cb -0.16 -2.21 -0.00 0.00 0.41 0.00 0.00 41.25 39.28 3n8k s ASN 6 CO 0.04 -0.23 0.23 -0.69 -1.51 0.00 0.00 177.10 174.93 3n8k s VAL 7 N 2.08 5.04 -0.23 1.60 1.01 0.57 -0.22 120.40 130.26 3n8k s VAL 7 Ca 0.15 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 3n8k s VAL 7 Cb -0.16 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.60 3n8k s VAL 7 CO 0.10 -0.07 -0.10 -0.63 0.00 0.00 0.00 175.10 174.41 3n8k s ILE 8 N 1.67 2.61 -0.13 2.22 1.01 0.19 -0.67 121.20 128.11 3n8k s ILE 8 Ca 0.05 -1.04 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 3n8k s ILE 8 Cb -0.18 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 3n8k s ILE 8 CO 0.09 0.27 0.01 0.20 0.00 0.00 0.00 174.94 175.52 3n8k s ASN 9 N 1.30 5.28 0.06 3.58 0.01 0.62 -1.35 114.94 124.43 3n8k s ASN 9 Ca 0.01 0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.23 3n8k s ASN 9 Cb -0.16 -1.72 0.00 0.00 0.41 0.00 0.00 41.25 39.78 3n8k s ASN 9 CO -0.07 0.27 0.00 0.61 -1.51 0.00 0.00 177.10 176.40 3n8k n GLY 10 N 2.90 1.34 3.58 0.66 0.00 0.19 -1.70 105.19 112.16 3n8k n GLY 10 Ca -0.18 -1.98 -0.47 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.27 1.23 -0.59 1.61 -0.02 -1.13 -2.60 135.00 133.23 3n8k n PRO 11 Ca 0.00 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3n8k n PRO 11 Cb 0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 1.76 0.00 0.23 2.55 3.02 -1.26 -4.41 115.26 117.14 3n8k n ASN 12 Ca 0.13 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.81 3n8k n ASN 12 Cb 0.27 -0.70 0.22 0.00 -0.61 0.00 0.00 39.78 38.96 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 -0.43 3.41 3.38 -1.87 -2.64 115.31 117.16 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 1.01 -1.10 0.64 0.83 0.00 -1.26 -2.93 105.19 102.37 3n8k n GLY 14 Ca 0.04 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.91 1.86 -1.66 1.61 5.12 -0.99 -4.70 116.66 115.99 3n8k n ARG 15 Ca 0.02 -1.28 -0.43 0.00 -1.93 0.00 0.00 57.85 54.23 3n8k n ARG 15 Cb 0.18 -1.45 -0.01 0.00 -1.16 0.00 0.00 32.46 30.02 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 0.52 2.95 0.00 0.55 4.77 -1.15 -2.70 117.00 121.94 3n8k n LEU 16 Ca 0.17 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.35 3n8k n LEU 16 Cb 0.40 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 3n8k n LEU 16 CO 0.15 -0.80 0.00 0.61 -1.33 0.00 0.00 177.39 176.02 3n8k n GLY 17 N 0.92 2.43 0.09 -0.72 0.00 -1.22 -3.99 105.19 102.71 3n8k n GLY 17 Ca 0.06 -0.80 0.06 0.00 0.00 0.00 0.00 46.02 45.35 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 0.62 -2.22 1.61 3.00 -1.23 -4.59 116.66 113.85 3n8k n ARG 18 Ca 0.00 0.12 -0.43 0.00 -0.01 0.00 0.00 57.85 57.54 3n8k n ARG 18 Cb 0.00 -1.78 -0.02 0.00 0.00 0.00 0.00 32.46 30.66 3n8k n ARG 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3n8k s ARG 19 N -3.18 4.00 -0.25 5.56 3.52 -1.10 -4.29 118.95 123.20 3n8k s ARG 19 Ca -0.03 1.70 -0.02 0.00 -0.13 0.00 0.00 55.73 57.25 3n8k s ARG 19 Cb 0.10 -3.94 0.00 0.00 -1.56 0.00 0.00 34.95 29.55 3n8k s ARG 19 CO 0.81 -1.04 0.20 0.39 -0.81 0.00 0.00 175.30 174.86 3n8k n GLU 20 N 7.25 -0.53 -0.12 5.12 1.02 -1.26 -4.50 120.64 127.62 3n8k n GLU 20 Ca 0.17 0.28 0.09 0.00 -0.02 0.00 0.00 57.16 57.67 3n8k n GLU 20 Cb 0.45 -0.71 0.43 0.00 -0.02 0.00 0.00 31.44 31.59 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 0.59 0.55 0.00 3.49 0.11 -1.78 0.05 132.00 135.01 3n8k h PRO 21 Ca -0.21 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3n8k h PRO 21 Cb 0.46 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3n8k h PRO 21 CO 0.11 0.37 0.00 0.00 -0.21 0.00 0.00 178.00 178.27 3n8k h ALA 22 N 1.66 1.00 0.00 -0.75 0.00 -1.87 0.02 119.26 119.32 3n8k h ALA 22 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.79 3n8k h ALA 22 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3n8k h ALA 22 CO -0.09 0.00 -2.45 0.28 0.00 0.00 0.00 179.25 176.99 3n8k n VAL 23 N -3.03 1.45 0.43 0.00 0.31 -0.15 -4.76 118.33 112.58 3n8k n VAL 23 Ca -0.00 -0.48 0.04 0.00 -0.01 0.00 0.00 64.34 63.90 3n8k n VAL 23 Cb 0.24 -1.58 -0.03 0.00 -0.91 0.00 0.00 33.84 31.55 3n8k n VAL 23 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3n8k n TYR 24 N -3.63 0.00 -0.35 3.52 4.02 -0.33 -4.37 117.16 116.02 3n8k n TYR 24 Ca -0.48 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.41 3n8k n TYR 24 Cb 0.93 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.25 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 1.09 -3.15 0.87 2.72 0.00 -0.01 -4.71 105.19 102.00 3n8k n GLY 25 Ca 0.03 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.35 1.45 3.67 -0.02 0.00 -1.26 -4.21 105.19 104.47 3n8k n GLY 26 Ca 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.27 4.80 0.86 2.61 2.01 -1.26 -4.50 115.64 118.89 3n8k s THR 27 Ca 0.29 1.85 -0.12 0.00 0.31 0.00 0.00 61.69 64.02 3n8k s THR 27 Cb 0.17 -4.23 0.11 0.00 0.01 0.00 0.00 72.50 68.56 3n8k s THR 27 CO 0.24 -0.04 1.10 0.42 -0.69 0.00 0.00 174.62 175.65 3n8k s THR 28 N 2.45 2.65 0.26 -0.82 -4.23 -1.26 -3.44 115.64 111.26 3n8k s THR 28 Ca 0.42 0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 61.13 3n8k s THR 28 Cb -0.16 -2.88 0.10 0.00 1.34 0.00 0.00 72.50 70.89 3n8k s THR 28 CO 0.12 -0.28 1.74 -0.74 -0.54 0.00 0.00 174.62 174.92 3n8k h HIS 29 N -1.34 0.79 -0.48 3.99 2.76 -1.81 -1.29 115.15 117.76 3n8k h HIS 29 Ca -0.49 -0.13 -0.09 0.00 -2.20 0.00 0.00 60.37 57.46 3n8k h HIS 29 Cb 1.29 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 3n8k h HIS 29 CO 0.40 0.77 -0.08 -0.44 -1.30 0.00 0.00 177.93 177.29 3n8k h ASP 30 N 0.67 0.84 -0.68 3.26 5.19 -1.93 0.29 116.42 124.06 3n8k h ASP 30 Ca 0.12 -0.24 -0.07 0.00 -0.62 0.00 0.00 57.03 56.22 3n8k h ASP 30 Cb 0.52 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.77 3n8k h ASP 30 CO 0.03 0.95 0.15 -0.33 -3.12 0.00 0.00 179.24 176.92 3n8k h GLU 31 N 0.77 1.09 -0.57 3.56 5.08 -1.87 -2.03 114.58 120.60 3n8k h GLU 31 Ca 0.13 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3n8k h GLU 31 Cb 0.57 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3n8k h GLU 31 CO 0.04 0.98 0.28 1.25 -1.00 0.00 0.00 179.01 180.55 3n8k h LEU 32 N 1.02 0.74 -0.41 1.33 5.85 -0.93 -1.39 115.31 121.53 3n8k h LEU 32 Ca 0.21 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3n8k h LEU 32 Cb 0.38 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3n8k h LEU 32 CO 0.00 0.66 0.18 0.58 -0.34 0.00 0.00 178.44 179.52 3n8k h VAL 33 N 0.78 0.93 -0.69 1.05 2.07 -0.74 -1.41 116.25 118.23 3n8k h VAL 33 Ca 0.20 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 3n8k h VAL 33 Cb 0.10 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3n8k h VAL 33 CO -0.03 0.07 0.23 0.00 0.02 0.00 0.00 177.57 177.86 3n8k h ALA 34 N 1.24 0.91 -0.51 1.67 0.00 -1.18 -2.17 119.26 119.22 3n8k h ALA 34 Ca 0.18 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3n8k h ALA 34 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3n8k h ALA 34 CO -0.15 0.57 -0.01 -0.07 0.00 0.00 0.00 179.25 179.60 3n8k h LEU 35 N 1.01 0.83 -0.12 0.00 3.38 -1.00 -1.87 115.31 117.54 3n8k h LEU 35 Ca 0.22 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3n8k h LEU 35 Cb 0.28 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3n8k h LEU 35 CO -0.01 0.90 -0.04 0.40 0.09 0.00 0.00 178.44 179.77 3n8k h ILE 36 N 0.80 1.31 -0.40 1.22 2.04 -1.10 -2.14 117.51 119.23 3n8k h ILE 36 Ca 0.15 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 3n8k h ILE 36 Cb 0.49 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3n8k h ILE 36 CO 0.02 0.30 0.08 -0.33 0.00 0.00 0.00 178.15 178.22 3n8k h GLU 37 N -0.10 0.59 -0.34 2.37 5.08 -1.37 0.26 114.58 121.06 3n8k h GLU 37 Ca 0.03 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3n8k h GLU 37 Cb 0.49 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3n8k h GLU 37 CO 0.01 0.55 0.00 -0.09 -1.00 0.00 0.00 179.01 178.49 3n8k h ARG 38 N 0.57 0.60 -0.41 2.33 9.65 -1.31 -2.29 114.38 123.54 3n8k h ARG 38 Ca 0.13 -0.19 -0.15 0.00 -1.10 0.00 0.00 59.98 58.67 3n8k h ARG 38 Cb 0.24 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 3n8k h ARG 38 CO -0.00 0.72 -0.33 1.49 2.80 0.00 0.00 179.97 184.65 3n8k h GLU 39 N 0.41 0.94 -0.69 0.20 4.57 -1.00 -2.76 114.58 116.26 3n8k h GLU 39 Ca 0.10 -0.47 -0.06 0.00 -1.18 0.00 0.00 59.36 57.75 3n8k h GLU 39 Cb 0.45 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 3n8k h GLU 39 CO 0.02 1.13 0.20 0.00 -1.18 0.00 0.00 179.01 179.17 3n8k h ALA 40 N 0.79 0.91 -0.64 2.92 0.00 -0.96 -1.88 119.26 120.40 3n8k h ALA 40 Ca 0.07 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3n8k h ALA 40 Cb 0.92 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3n8k h ALA 40 CO 0.09 0.61 0.15 0.00 0.00 0.00 0.00 179.25 180.09 3n8k h ALA 41 N 1.09 1.04 0.00 0.00 0.00 -1.38 0.51 119.26 120.52 3n8k h ALA 41 Ca 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3n8k h ALA 41 Cb 0.33 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3n8k h ALA 41 CO -0.00 0.63 -0.14 1.05 0.00 0.00 0.00 179.25 180.79 3n8k h GLU 42 N 0.97 0.00 -0.01 0.00 4.11 -1.31 -2.84 114.58 115.49 3n8k h GLU 42 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 3n8k h GLU 42 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3n8k h GLU 42 CO 0.00 0.14 -0.27 1.28 0.07 0.00 0.00 179.01 180.23 3n8k n LEU 43 N -3.29 1.64 -0.16 3.06 4.77 -0.72 -4.95 117.00 117.34 3n8k n LEU 43 Ca 0.00 -0.54 -0.02 0.00 -0.03 0.00 0.00 56.01 55.42 3n8k n LEU 43 Cb 0.38 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 3n8k n LEU 43 CO 0.31 0.30 -0.02 0.61 -1.33 0.00 0.00 177.39 177.26 3n8k n GLY 44 N 1.34 0.54 3.76 -0.72 0.00 -0.32 -4.99 105.19 104.81 3n8k n GLY 44 Ca 0.12 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.48 3.53 -0.21 0.99 1.43 0.16 -4.82 118.68 119.29 3n8k s LEU 45 Ca 0.00 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 3n8k s LEU 45 Cb 0.00 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 3n8k s LEU 45 CO 0.00 -0.10 -0.05 -1.59 0.23 0.00 0.00 176.35 174.84 3n8k s LYS 46 N -3.81 3.42 -0.13 1.70 0.00 -0.26 -3.51 119.74 117.15 3n8k s LYS 46 Ca 0.34 -0.61 -0.04 0.00 0.00 0.00 0.00 55.97 55.66 3n8k s LYS 46 Cb -0.06 -2.98 -0.03 0.00 0.00 0.00 0.00 37.83 34.75 3n8k s LYS 46 CO 0.23 -0.11 0.02 0.00 0.00 0.00 0.00 175.35 175.50 3n8k s ALA 47 N 1.25 3.30 -0.27 0.59 0.00 -1.26 -0.88 121.76 124.49 3n8k s ALA 47 Ca 0.03 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.23 3n8k s ALA 47 Cb -0.14 -1.65 0.06 0.00 0.00 0.00 0.00 23.12 21.38 3n8k s ALA 47 CO -0.01 0.40 -0.08 0.08 0.00 0.00 0.00 175.76 176.15 3n8k s VAL 48 N -0.29 2.39 -0.23 0.00 1.01 -0.44 -4.91 120.40 117.93 3n8k s VAL 48 Ca 0.07 -1.56 -0.07 0.00 0.00 0.00 0.00 61.98 60.43 3n8k s VAL 48 Cb -0.12 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 3n8k s VAL 48 CO 0.02 -0.04 0.05 -0.69 0.00 0.00 0.00 175.10 174.44 3n8k s VAL 49 N 1.15 4.28 0.01 2.92 1.01 -1.26 -0.31 120.40 128.19 3n8k s VAL 49 Ca -0.08 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3n8k s VAL 49 Cb -0.20 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 3n8k s VAL 49 CO -0.04 0.37 -0.08 -0.13 0.00 0.00 0.00 175.10 175.22 3n8k s ARG 50 N 1.32 0.63 -0.00 2.72 0.52 0.16 -4.99 118.95 119.30 3n8k s ARG 50 Ca 0.05 -0.43 0.05 0.00 -0.52 0.00 0.00 55.73 54.88 3n8k s ARG 50 Cb -0.15 -0.57 -0.01 0.00 0.52 0.00 0.00 34.95 34.74 3n8k s ARG 50 CO 0.03 0.15 -0.15 -1.14 0.02 0.00 0.00 175.30 174.20 3n8k s GLN 51 N -0.58 1.20 -0.10 3.54 -0.44 -1.26 -0.28 119.66 121.74 3n8k s GLN 51 Ca 0.00 -0.59 -0.19 0.00 -2.50 0.00 0.00 55.36 52.08 3n8k s GLN 51 Cb -0.05 -1.18 0.04 0.00 -1.64 0.00 0.00 33.01 30.19 3n8k s GLN 51 CO 0.00 0.32 0.47 0.45 0.50 0.00 0.00 175.29 177.03 3n8k s SER 52 N -0.48 -0.44 0.00 6.67 0.15 -0.69 -4.98 113.70 113.93 3n8k s SER 52 Ca 0.05 0.64 0.28 0.00 0.70 0.00 0.00 55.95 57.63 3n8k s SER 52 Cb -0.06 0.69 1.05 0.00 -1.71 0.00 0.00 66.02 65.99 3n8k s SER 52 CO -0.00 -0.35 1.78 0.47 1.20 0.00 0.00 173.24 176.34 3n8k n ASP 53 N 1.93 0.25 -4.67 5.45 8.00 -1.26 -2.86 116.55 123.39 3n8k n ASP 53 Ca -0.17 -0.01 -0.39 0.00 0.71 0.00 0.00 54.79 54.92 3n8k n ASP 53 Cb 0.56 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.43 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 6.67 0.15 -2.24 0.15 -1.26 -4.62 113.70 109.70 3n8k s SER 54 Ca 0.18 0.81 -0.16 0.00 0.70 0.00 0.00 55.95 57.48 3n8k s SER 54 Cb 0.19 -2.33 0.02 0.00 -1.71 0.00 0.00 66.02 62.19 3n8k s SER 54 CO 0.56 -0.19 1.79 -0.08 1.20 0.00 0.00 173.24 176.51 3n8k h GLU 55 N 7.31 0.58 -0.72 5.44 4.81 -2.00 -2.44 114.58 127.57 3n8k h GLU 55 Ca -0.34 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 58.89 3n8k h GLU 55 Cb 1.16 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 3n8k h GLU 55 CO 0.76 0.43 0.47 0.00 -0.73 0.00 0.00 179.01 179.94 3n8k h ALA 56 N 1.12 1.66 -0.33 2.92 0.00 -1.99 -1.08 119.26 121.55 3n8k h ALA 56 Ca 0.15 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3n8k h ALA 56 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3n8k h ALA 56 CO -0.03 0.25 -0.10 0.37 0.00 0.00 0.00 179.25 179.74 3n8k h GLN 57 N 0.80 0.66 -0.85 0.00 5.75 -1.91 -1.80 115.11 117.75 3n8k h GLN 57 Ca 0.30 -0.26 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 3n8k h GLN 57 Cb 0.17 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 3n8k h GLN 57 CO -0.09 0.84 0.42 -0.07 -2.65 0.00 0.00 178.83 177.27 3n8k h LEU 58 N 0.44 1.11 -0.95 -2.39 3.38 -0.94 -1.93 115.31 114.02 3n8k h LEU 58 Ca 0.08 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3n8k h LEU 58 Cb 0.60 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3n8k h LEU 58 CO 0.04 0.92 0.62 -0.07 0.09 0.00 0.00 178.44 180.04 3n8k h LEU 59 N 1.21 1.05 -0.38 1.67 4.07 -1.12 -2.24 115.31 119.57 3n8k h LEU 59 Ca 0.29 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 3n8k h LEU 59 Cb 0.10 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 3n8k h LEU 59 CO -0.04 0.73 0.20 -0.78 -1.08 0.00 0.00 178.44 177.48 3n8k h ASP 60 N 1.23 0.48 -0.37 -0.43 3.58 -0.70 -1.65 116.42 118.54 3n8k h ASP 60 Ca 0.37 -0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.63 3n8k h ASP 60 Cb -0.05 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 3n8k h ASP 60 CO -0.11 0.43 -0.09 -0.50 -2.88 0.00 0.00 179.24 176.09 3n8k h TRP 61 N 0.48 0.89 -0.22 0.28 6.55 -1.12 -2.32 115.95 120.50 3n8k h TRP 61 Ca 0.13 -0.16 -0.15 0.00 0.95 0.00 0.00 58.89 59.66 3n8k h TRP 61 Cb 0.07 -0.23 -0.01 0.00 -0.86 0.00 0.00 29.16 28.13 3n8k h TRP 61 CO -0.02 0.86 -0.48 0.82 -1.05 0.00 0.00 178.44 178.56 3n8k h ILE 62 N 0.73 1.31 -0.86 1.49 2.04 -1.34 -2.16 117.51 118.73 3n8k h ILE 62 Ca 0.13 -1.70 -0.00 0.00 1.00 0.00 0.00 64.86 64.29 3n8k h ILE 62 Cb 0.58 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 3n8k h ILE 62 CO 0.04 0.53 0.53 0.45 0.00 0.00 0.00 178.15 179.70 3n8k h HIS 63 N 0.46 1.11 -0.24 1.37 3.86 -1.10 -0.10 115.15 120.52 3n8k h HIS 63 Ca 0.02 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 3n8k h HIS 63 Cb 1.01 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 29.11 3n8k h HIS 63 CO 0.04 0.73 0.07 1.96 0.86 0.00 0.00 177.93 181.59 3n8k h GLN 64 N 1.17 0.37 -0.26 2.45 4.20 -1.27 -2.02 115.11 119.74 3n8k h GLN 64 Ca 0.31 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 3n8k h GLN 64 Cb -0.08 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3n8k h GLN 64 CO -0.06 0.45 0.05 0.00 -0.67 0.00 0.00 178.83 178.61 3n8k h ALA 65 N 0.90 1.62 -0.10 3.87 0.00 -1.16 -0.74 119.26 123.64 3n8k h ALA 65 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3n8k h ALA 65 Cb 0.24 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3n8k h ALA 65 CO -0.00 0.29 0.01 0.00 0.00 0.00 0.00 179.25 179.55 3n8k h ALA 66 N 1.70 0.14 -0.40 0.00 0.00 -0.78 0.55 119.26 120.47 3n8k h ALA 66 Ca 0.09 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3n8k h ALA 66 Cb 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3n8k h ALA 66 CO -0.00 -0.20 -0.06 -0.44 0.00 0.00 0.00 179.25 178.55 3n8k h ASP 67 N -0.08 0.65 -0.01 0.00 3.32 -1.05 -2.58 116.42 116.67 3n8k h ASP 67 Ca 0.03 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3n8k h ASP 67 Cb 0.31 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3n8k h ASP 67 CO 0.00 0.76 0.00 0.00 -1.72 0.00 0.00 179.24 178.29 3n8k n ALA 68 N -2.48 2.60 -3.98 3.45 0.00 -0.31 -4.94 120.51 114.85 3n8k n ALA 68 Ca 0.02 -0.38 -0.28 0.00 0.00 0.00 0.00 53.44 52.80 3n8k n ALA 68 Cb 0.32 -1.26 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.14 -1.74 -2.71 0.00 0.00 -0.37 -4.98 120.51 110.57 3n8k n ALA 69 Ca 0.20 -0.13 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 3n8k n ALA 69 Cb 0.29 -2.40 -0.09 0.00 0.00 0.00 0.00 19.45 17.25 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 -6.58 2.97 0.66 0.00 2.02 0.04 -4.68 118.70 113.13 3n8k s GLU 70 Ca 0.26 -0.45 -0.17 0.00 0.02 0.00 0.00 54.97 54.62 3n8k s GLU 70 Cb -0.14 -2.79 -0.00 0.00 0.10 0.00 0.00 34.13 31.30 3n8k s GLU 70 CO 0.88 0.68 1.23 -1.25 0.02 0.00 0.00 175.26 176.82 3n8k s PRO 71 N -1.19 2.57 -0.07 0.39 0.04 -1.26 -4.69 135.00 130.80 3n8k s PRO 71 Ca 0.16 1.87 0.03 0.00 0.04 0.00 0.00 61.00 63.10 3n8k s PRO 71 Cb -0.11 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.56 3n8k s PRO 71 CO 0.06 -1.53 -0.15 0.08 0.04 0.00 0.00 177.00 175.50 3n8k s VAL 72 N -1.68 1.34 -0.30 -0.36 1.01 -0.85 -1.78 120.40 117.78 3n8k s VAL 72 Ca 0.78 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 3n8k s VAL 72 Cb -0.32 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 34.86 3n8k s VAL 72 CO 0.39 0.40 0.12 -0.63 0.00 0.00 0.00 175.10 175.38 3n8k s ILE 73 N 0.55 4.31 -0.17 2.22 1.01 0.69 -0.75 121.20 129.06 3n8k s ILE 73 Ca -0.15 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 59.98 3n8k s ILE 73 Cb -0.16 -3.21 0.02 0.00 0.01 0.00 0.00 42.46 39.12 3n8k s ILE 73 CO 0.05 0.08 -0.20 -0.22 0.00 0.00 0.00 174.94 174.64 3n8k s LEU 74 N 1.56 2.09 -0.37 2.97 2.96 -0.19 -0.63 118.68 127.06 3n8k s LEU 74 Ca 0.04 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.33 3n8k s LEU 74 Cb -0.17 -1.44 0.10 0.00 0.50 0.00 0.00 46.19 45.18 3n8k s LEU 74 CO 0.04 0.02 0.12 0.21 -1.32 0.00 0.00 176.35 175.42 3n8k s ASN 75 N 1.17 4.99 0.00 3.68 3.84 -0.46 -1.66 114.94 126.50 3n8k s ASN 75 Ca 0.02 -2.04 0.28 0.00 0.21 0.00 0.00 52.86 51.32 3n8k s ASN 75 Cb -0.14 -1.72 1.32 0.00 -0.55 0.00 0.00 41.25 40.16 3n8k s ASN 75 CO -0.10 -0.45 1.89 0.00 -2.79 0.00 0.00 177.10 175.66 3n8k n ALA 76 N 4.43 2.61 -0.93 1.71 0.00 -1.26 0.55 120.51 127.62 3n8k n ALA 76 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3n8k n ALA 76 Cb 0.42 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 1.08 3.26 0.27 0.00 0.00 -1.26 -2.23 105.19 106.31 3n8k n GLY 77 Ca 0.20 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3n8k n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3n8k h GLY 78 N 0.00 0.00 2.00 -0.02 0.00 -1.95 -2.72 103.07 100.39 3n8k h GLY 78 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3n8k h GLY 78 CO 0.00 0.00 -0.05 1.41 0.00 0.00 0.00 176.54 177.90 3n8k h LEU 79 N 0.00 0.00 -0.96 3.11 3.38 -1.82 -2.92 115.31 116.09 3n8k h LEU 79 Ca -0.00 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.19 3n8k h LEU 79 Cb 0.35 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.98 3n8k h LEU 79 CO 0.01 0.05 0.53 0.74 0.09 0.00 0.00 178.44 179.87 3n8k h THR 80 N 0.00 0.56 -0.01 0.22 2.02 -1.58 -0.35 112.91 113.77 3n8k h THR 80 Ca -0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3n8k h THR 80 Cb 0.52 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3n8k h THR 80 CO 0.01 0.10 -0.45 1.41 0.37 0.00 0.00 175.52 176.96 3n8k n HIS 81 N -4.91 0.00 0.00 3.16 8.25 -1.10 -1.58 115.22 119.04 3n8k n HIS 81 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 3n8k n HIS 81 Cb 0.67 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.73 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 -0.45 0.00 -3.28 1.59 -2.24 -0.93 -4.79 114.28 104.18 3n8k n THR 82 Ca 0.10 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.44 3n8k n THR 82 Cb 0.41 -0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 68.25 3n8k n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3n8k s SER 83 N -1.82 6.20 0.20 3.42 0.15 -0.18 -4.88 113.70 116.78 3n8k s SER 83 Ca 0.00 -0.89 0.05 0.00 0.70 0.00 0.00 55.95 55.81 3n8k s SER 83 Cb 0.00 -2.24 0.10 0.00 -1.71 0.00 0.00 66.02 62.18 3n8k s SER 83 CO 0.00 -0.70 1.46 0.58 1.20 0.00 0.00 173.24 175.78 3n8k h VAL 84 N 5.78 1.47 -0.82 4.45 2.07 -1.96 -3.16 116.25 124.09 3n8k h VAL 84 Ca -0.27 -2.42 -0.01 0.00 0.82 0.00 0.00 66.70 64.81 3n8k h VAL 84 Cb 1.11 2.32 -0.04 0.00 -1.52 0.00 0.00 31.29 33.15 3n8k h VAL 84 CO 0.87 0.71 0.45 0.00 0.02 0.00 0.00 177.57 179.62 3n8k h ALA 85 N 1.10 1.26 -0.39 1.67 0.00 -1.98 0.07 119.26 120.99 3n8k h ALA 85 Ca -0.03 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 3n8k h ALA 85 Cb 1.35 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3n8k h ALA 85 CO 0.11 0.60 -0.29 1.25 0.00 0.00 0.00 179.25 180.93 3n8k h LEU 86 N 1.14 0.93 -0.60 0.00 5.85 -1.95 -2.29 115.31 118.39 3n8k h LEU 86 Ca 0.29 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.58 3n8k h LEU 86 Cb 0.02 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3n8k h LEU 86 CO -0.05 1.17 0.40 -0.09 -0.34 0.00 0.00 178.44 179.53 3n8k h ARG 87 N 0.69 0.78 -0.75 1.25 2.43 -1.42 -1.51 114.38 115.85 3n8k h ARG 87 Ca 0.07 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3n8k h ARG 87 Cb 0.87 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.21 3n8k h ARG 87 CO 0.08 0.52 0.36 -0.44 -1.51 0.00 0.00 179.97 178.98 3n8k h ASP 88 N 0.81 0.98 -0.52 -3.80 3.32 -0.89 -1.62 116.42 114.70 3n8k h ASP 88 Ca 0.22 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 3n8k h ASP 88 Cb -0.09 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 3n8k h ASP 88 CO -0.05 0.83 -0.09 0.00 -1.72 0.00 0.00 179.24 178.21 3n8k h ALA 89 N 1.32 0.71 0.00 3.45 0.00 -1.15 -2.94 119.26 120.66 3n8k h ALA 89 Ca 0.26 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3n8k h ALA 89 Cb 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3n8k h ALA 89 CO -0.03 0.61 -0.13 0.00 0.00 0.00 0.00 179.25 179.70 3n8k h ALA 91 N 1.87 1.00 0.00 0.00 0.00 -1.11 -2.49 119.26 118.53 3n8k h ALA 91 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3n8k h ALA 91 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3n8k h ALA 91 CO 0.02 0.00 -0.33 0.93 0.00 0.00 0.00 179.25 179.87 3n8k h GLU 92 N 0.00 0.00 -6.37 0.00 5.08 -1.61 -3.46 114.58 108.22 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 0.35 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.61 3n8k h GLU 92 CO 0.00 0.33 1.09 -0.51 -1.00 0.00 0.00 179.01 178.92 3n8k s LEU 93 N -6.55 4.37 0.01 1.33 1.43 -0.94 -4.90 118.68 113.42 3n8k s LEU 93 Ca 0.03 2.46 0.13 0.00 -1.03 0.00 0.00 54.13 55.73 3n8k s LEU 93 Cb 0.08 -3.55 -0.20 0.00 0.03 0.00 0.00 46.19 42.56 3n8k s LEU 93 CO 0.69 -0.95 0.78 0.77 0.23 0.00 0.00 176.35 177.87 3n8k h SER 94 N 9.29 0.00 -4.00 2.29 4.64 -1.89 -3.47 113.55 120.41 3n8k h SER 94 Ca -0.43 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.39 3n8k h SER 94 Cb 1.20 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.32 3n8k h SER 94 CO 0.94 0.88 0.28 0.00 -0.87 0.00 0.00 176.83 178.06 3n8k s ALA 95 N -2.70 3.21 0.34 5.18 0.00 -1.26 -5.01 121.76 121.51 3n8k s ALA 95 Ca -0.03 -0.12 -0.27 0.00 0.00 0.00 0.00 51.96 51.54 3n8k s ALA 95 Cb 0.08 -2.91 -0.13 0.00 0.00 0.00 0.00 23.12 20.17 3n8k s ALA 95 CO 0.82 -0.33 1.04 -2.30 0.00 0.00 0.00 175.76 174.99 3n8k n PRO 96 N -1.97 1.46 -4.25 0.00 -0.02 -1.26 -4.75 135.00 124.21 3n8k n PRO 96 Ca 0.04 0.51 -0.33 0.00 -2.02 0.00 0.00 63.50 61.70 3n8k n PRO 96 Cb 0.54 -1.96 -0.15 0.00 -0.02 0.00 0.00 33.50 31.90 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 -0.00 2.42 -0.21 2.45 2.96 -1.26 -2.01 118.68 123.02 3n8k s LEU 97 Ca 0.59 -0.53 -0.04 0.00 -0.22 0.00 0.00 54.13 53.94 3n8k s LEU 97 Cb -0.64 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 3n8k s LEU 97 CO 0.60 0.03 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.98 3n8k s ILE 98 N 1.14 3.44 -0.08 6.68 1.01 0.07 -0.39 121.20 133.07 3n8k s ILE 98 Ca 0.01 -0.48 -0.25 0.00 0.00 0.00 0.00 60.65 59.93 3n8k s ILE 98 Cb -0.14 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 3n8k s ILE 98 CO -0.06 0.43 0.80 -0.70 0.00 0.00 0.00 174.94 175.41 3n8k s GLU 99 N 1.30 4.42 -0.05 2.79 2.12 -0.58 -1.02 118.70 127.68 3n8k s GLU 99 Ca 0.04 1.03 0.04 0.00 0.36 0.00 0.00 54.97 56.43 3n8k s GLU 99 Cb -0.14 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.76 3n8k s GLU 99 CO -0.02 -0.07 -0.15 0.08 -0.54 0.00 0.00 175.26 174.55 3n8k s VAL 100 N 1.24 1.32 -0.03 3.70 1.01 -0.66 -0.41 120.40 126.55 3n8k s VAL 100 Ca 0.41 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.78 3n8k s VAL 100 Cb -0.18 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.06 3n8k s VAL 100 CO 0.18 0.39 -0.12 -1.00 0.00 0.00 0.00 175.10 174.55 3n8k s HIS 101 N 0.17 1.22 0.01 5.22 3.76 0.23 -4.13 115.29 121.78 3n8k s HIS 101 Ca -0.06 -0.33 -0.25 0.00 -0.15 0.00 0.00 55.06 54.27 3n8k s HIS 101 Cb -0.12 -0.85 -0.16 0.00 1.11 0.00 0.00 32.58 32.56 3n8k s HIS 101 CO 0.02 -0.13 1.23 0.82 -0.85 0.00 0.00 174.74 175.83 3n8k h ILE 102 N 5.39 0.60 -4.25 0.60 2.04 -1.87 -2.35 117.51 117.67 3n8k h ILE 102 Ca -0.33 -0.54 -0.50 0.00 1.00 0.00 0.00 64.86 64.49 3n8k h ILE 102 Cb 1.17 0.85 0.05 0.00 -0.74 0.00 0.00 36.82 38.15 3n8k h ILE 102 CO 0.48 0.10 0.38 -0.94 0.00 0.00 0.00 178.15 178.17 3n8k s SER 103 N -4.99 6.30 -0.68 1.72 1.04 -1.26 -1.89 113.70 113.94 3n8k s SER 103 Ca -0.14 1.39 -0.27 0.00 0.48 0.00 0.00 55.95 57.41 3n8k s SER 103 Cb 0.02 -2.45 0.01 0.00 0.10 0.00 0.00 66.02 63.70 3n8k s SER 103 CO 0.53 -0.79 1.46 0.21 0.98 0.00 0.00 173.24 175.63 3n8k s ASN 104 N -3.97 5.91 0.35 7.02 3.84 -1.26 -2.35 114.94 124.47 3n8k s ASN 104 Ca 0.55 -0.15 0.27 0.00 0.21 0.00 0.00 52.86 53.74 3n8k s ASN 104 Cb -0.11 -2.55 1.12 0.00 -0.55 0.00 0.00 41.25 39.16 3n8k s ASN 104 CO 0.49 -1.98 1.80 1.62 -2.79 0.00 0.00 177.10 176.24 3n8k h VAL 105 N 6.31 0.00 0.00 -5.21 3.04 -1.92 -2.25 116.25 116.22 3n8k h VAL 105 Ca -0.27 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 3n8k h VAL 105 Cb 1.09 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 3n8k h VAL 105 CO 1.25 0.00 -0.56 1.41 -1.01 0.00 0.00 177.57 178.66 3n8k n HIS 106 N -2.49 0.08 0.90 3.17 8.25 -1.26 -3.77 115.22 120.10 3n8k n HIS 106 Ca 0.02 0.02 0.11 0.00 -0.26 0.00 0.00 57.72 57.61 3n8k n HIS 106 Cb 0.24 -0.30 0.31 0.00 1.12 0.00 0.00 29.99 31.36 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 -1.56 2.48 -2.64 -1.41 0.00 -0.85 -4.94 120.51 111.61 3n8k n ALA 107 Ca 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.79 3n8k n ALA 107 Cb 0.35 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.79 3.43 -2.02 0.00 1.74 -1.25 -5.09 116.66 114.27 3n8k n ARG 108 Ca 0.17 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.88 3n8k n ARG 108 Cb 0.44 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.91 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 4.02 3.25 0.37 5.56 8.01 -1.26 -4.93 118.70 133.72 3n8k s GLU 109 Ca 0.00 1.93 0.05 0.00 0.01 0.00 0.00 54.97 56.97 3n8k s GLU 109 Cb 0.00 -2.16 0.75 0.00 -4.31 0.00 0.00 34.13 28.40 3n8k s GLU 109 CO 0.00 -1.01 2.00 1.49 0.01 0.00 0.00 175.26 177.75 3n8k h GLU 110 N 1.39 0.70 0.00 1.61 4.22 -1.95 -2.08 114.58 118.47 3n8k h GLU 110 Ca -0.50 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.89 3n8k h GLU 110 Cb 1.28 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3n8k h GLU 110 CO 0.57 0.47 0.00 1.97 -2.18 0.00 0.00 179.01 179.84 3n8k n PHE 111 N -4.46 0.08 1.44 0.92 1.16 -1.26 -2.14 117.46 113.20 3n8k n PHE 111 Ca 0.07 0.03 0.14 0.00 -1.87 0.00 0.00 57.45 55.82 3n8k n PHE 111 Cb 0.13 -0.55 0.49 0.00 -1.61 0.00 0.00 39.48 37.94 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 -1.57 1.55 -0.24 3.97 1.74 -0.78 -4.19 116.66 117.14 3n8k n ARG 112 Ca 0.03 -0.92 0.11 0.00 -0.77 0.00 0.00 57.85 56.30 3n8k n ARG 112 Cb 0.15 -1.48 0.26 0.00 -1.02 0.00 0.00 32.46 30.37 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 0.08 2.46 -2.41 5.56 1.74 -0.91 -4.54 116.66 118.63 3n8k n ARG 113 Ca 0.18 -2.23 -0.18 0.00 -0.77 0.00 0.00 57.85 54.85 3n8k n ARG 113 Cb 0.36 -1.51 0.02 0.00 -1.02 0.00 0.00 32.46 30.32 3n8k n ARG 113 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3n8k n HIS 114 N 1.38 2.42 -1.56 -1.55 8.25 -1.26 -5.07 115.22 117.83 3n8k n HIS 114 Ca 0.20 -2.57 -0.53 0.00 -0.26 0.00 0.00 57.72 54.56 3n8k n HIS 114 Cb 0.57 -0.25 -0.06 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.52 1.15 0.16 0.41 2.88 -1.26 -4.88 113.62 111.56 3n8k n SER 115 Ca 0.30 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 59.11 3n8k n SER 115 Cb 0.82 -1.13 0.48 0.00 -0.75 0.00 0.00 64.21 63.64 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 3.93 0.00 0.01 0.66 0.05 -1.60 -3.32 116.97 116.71 3n8k h TYR 116 Ca -0.47 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 57.98 3n8k h TYR 116 Cb 1.36 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 39.05 3n8k h TYR 116 CO 0.58 0.00 -1.99 1.28 -1.05 0.00 0.00 178.16 176.98 3n8k n LEU 117 N -2.48 0.85 -0.18 3.88 4.77 -1.26 -4.45 117.00 118.13 3n8k n LEU 117 Ca 0.03 0.24 -0.01 0.00 -0.03 0.00 0.00 56.01 56.24 3n8k n LEU 117 Cb 0.31 0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.60 3n8k n LEU 117 CO 0.25 0.49 0.91 0.28 -1.33 0.00 0.00 177.39 177.99 3n8k h SER 118 N 0.01 -0.00 0.30 -1.43 0.02 -1.93 -1.54 113.55 108.97 3n8k h SER 118 Ca -0.40 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 3n8k h SER 118 Cb 2.09 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 64.76 3n8k h SER 118 CO 0.06 0.02 -0.05 -0.65 -1.14 0.00 0.00 176.83 175.06 3n8k h PRO 119 N 0.25 0.00 0.00 3.45 0.11 -1.78 -2.94 132.00 131.08 3n8k h PRO 119 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3n8k h PRO 119 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 3n8k h PRO 119 CO -0.36 0.05 -0.89 0.44 -0.21 0.00 0.00 178.00 177.03 3n8k n ILE 120 N -3.46 0.00 -1.65 4.15 -6.64 -0.96 -4.99 119.36 105.81 3n8k n ILE 120 Ca -0.02 -0.18 -0.31 0.00 -1.77 0.00 0.00 62.75 60.47 3n8k n ILE 120 Cb 0.18 0.85 0.04 0.00 -1.44 0.00 0.00 39.64 39.26 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 -2.54 2.79 0.00 -1.28 0.00 -0.62 -4.93 121.76 115.17 3n8k s ALA 121 Ca 0.04 0.03 -0.23 0.00 0.00 0.00 0.00 51.96 51.80 3n8k s ALA 121 Cb 0.11 -3.15 -0.18 0.00 0.00 0.00 0.00 23.12 19.90 3n8k s ALA 121 CO 0.62 -1.09 1.25 1.15 0.00 0.00 0.00 175.76 177.69 3n8k h THR 122 N -0.62 1.40 -3.70 0.00 2.02 -1.02 -3.48 112.91 107.51 3n8k h THR 122 Ca -0.44 -1.40 -0.07 0.00 0.77 0.00 0.00 66.41 65.27 3n8k h THR 122 Cb 1.21 2.16 -0.09 0.00 -1.74 0.00 0.00 68.15 69.69 3n8k h THR 122 CO 0.58 0.39 -0.13 -0.83 0.37 0.00 0.00 175.52 175.90 3n8k s GLY 123 N -3.46 0.62 -0.03 2.16 0.00 -1.20 -5.05 107.32 100.36 3n8k s GLY 123 Ca -0.15 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.64 3n8k s GLY 123 CO 0.73 -0.67 -0.02 0.14 0.00 0.00 0.00 173.10 173.28 3n8k s VAL 124 N -3.93 0.29 -0.13 1.40 1.01 -1.26 -1.53 120.40 116.25 3n8k s VAL 124 Ca 0.23 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.22 3n8k s VAL 124 Cb -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 36.03 3n8k s VAL 124 CO 0.10 0.16 -0.20 -0.63 0.00 0.00 0.00 175.10 174.53 3n8k s ILE 125 N 0.81 2.32 -0.01 2.22 1.01 0.45 -4.98 121.20 123.01 3n8k s ILE 125 Ca -0.09 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.67 3n8k s ILE 125 Cb -0.12 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.42 3n8k s ILE 125 CO -0.01 0.54 -0.03 -0.69 0.00 0.00 0.00 174.94 174.75 3n8k s VAL 126 N 0.65 0.31 0.00 2.92 1.01 -1.26 -0.60 120.40 123.44 3n8k s VAL 126 Ca -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3n8k s VAL 126 Cb -0.16 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.92 3n8k s VAL 126 CO 0.02 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3n8k n GLY 127 N 3.32 0.55 1.38 4.51 0.00 -0.88 -4.82 105.19 109.25 3n8k n GLY 127 Ca -0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.94 3n8k n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n8k n LEU 128 N 0.00 4.45 0.00 0.99 4.77 -1.21 -4.60 117.00 121.40 3n8k n LEU 128 Ca 0.00 -2.49 0.00 0.00 -0.03 0.00 0.00 56.01 53.49 3n8k n LEU 128 Cb 0.00 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 3n8k n LEU 128 CO 0.00 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3n8k n GLY 129 N 0.80 0.44 0.35 -0.72 0.00 -0.79 -3.46 105.19 101.82 3n8k n GLY 129 Ca 0.23 -0.83 0.09 0.00 0.00 0.00 0.00 46.02 45.51 3n8k n GLY 129 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3n8k h ILE 130 N 0.00 0.95 0.00 -0.61 5.03 -1.90 -2.37 117.51 118.62 3n8k h ILE 130 Ca 0.00 -0.21 0.00 0.00 -0.12 0.00 0.00 64.86 64.53 3n8k h ILE 130 Cb 0.00 0.29 0.00 0.00 -3.03 0.00 0.00 36.82 34.08 3n8k h ILE 130 CO 0.00 0.11 0.00 -0.61 -0.68 0.00 0.00 178.15 176.97 3n8k h GLN 131 N 0.61 0.00 -0.91 2.37 4.15 -1.98 -2.24 115.11 117.11 3n8k h GLN 131 Ca 0.31 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.88 3n8k h GLN 131 Cb 0.42 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.02 3n8k h GLN 131 CO -0.10 0.00 0.52 0.78 -1.93 0.00 0.00 178.83 178.09 3n8k h GLY 132 N 0.56 1.51 1.00 2.39 0.00 -1.50 0.05 103.07 107.07 3n8k h GLY 132 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3n8k h GLY 132 CO 0.00 0.02 0.35 -0.97 0.00 0.00 0.00 176.54 175.94 3n8k h TYR 133 N 0.75 0.84 -0.24 5.60 -1.99 -1.61 -1.69 116.97 118.64 3n8k h TYR 133 Ca 0.49 -0.01 -0.13 0.00 2.00 0.00 0.00 58.73 61.07 3n8k h TYR 133 Cb 0.63 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.08 3n8k h TYR 133 CO -0.05 0.59 -0.39 -0.07 -0.00 0.00 0.00 178.16 178.25 3n8k h LEU 134 N 0.84 0.58 -0.59 3.88 3.38 -1.35 -1.75 115.31 120.29 3n8k h LEU 134 Ca 0.22 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 3n8k h LEU 134 Cb 0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3n8k h LEU 134 CO -0.04 0.91 -0.52 -0.07 0.09 0.00 0.00 178.44 178.81 3n8k h LEU 135 N 0.46 0.54 -0.81 1.67 3.38 -0.95 -2.13 115.31 117.47 3n8k h LEU 135 Ca 0.04 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 3n8k h LEU 135 Cb 0.88 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3n8k h LEU 135 CO 0.07 0.96 0.32 0.00 0.09 0.00 0.00 178.44 179.89 3n8k h ALA 136 N 1.05 1.05 -0.57 1.53 0.00 -1.10 -2.34 119.26 118.88 3n8k h ALA 136 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3n8k h ALA 136 Cb 1.04 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3n8k h ALA 136 CO 0.09 0.67 0.35 -0.07 0.00 0.00 0.00 179.25 180.29 3n8k h LEU 137 N 1.17 0.69 -0.96 0.00 3.38 -1.10 -2.65 115.31 115.83 3n8k h LEU 137 Ca 0.27 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 3n8k h LEU 137 Cb 0.21 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3n8k h LEU 137 CO -0.02 0.54 0.04 -0.09 0.09 0.00 0.00 178.44 179.00 3n8k h ARG 138 N 0.77 0.79 -0.65 1.13 2.43 -1.19 -0.80 114.38 116.87 3n8k h ARG 138 Ca 0.21 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3n8k h ARG 138 Cb -0.02 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 3n8k h ARG 138 CO -0.04 0.77 0.38 -0.92 -1.51 0.00 0.00 179.97 178.65 3n8k h TYR 139 N 0.75 0.87 0.00 2.20 3.20 -1.31 -2.82 116.97 119.86 3n8k h TYR 139 Ca 0.15 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 3n8k h TYR 139 Cb 0.40 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3n8k h TYR 139 CO 0.02 0.61 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.72 3n8k h LEU 140 N 0.88 0.00 -1.02 2.82 3.38 -1.04 -1.73 115.31 118.61 3n8k h LEU 140 Ca 0.23 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 3n8k h LEU 140 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3n8k h LEU 140 CO -0.04 0.36 -0.43 0.00 0.09 0.00 0.00 178.44 178.42 3n8k h ALA 141 N 1.64 1.18 0.00 1.53 0.00 -0.95 -2.85 119.26 119.81 3n8k h ALA 141 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3n8k h ALA 141 Cb 0.80 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3n8k h ALA 141 CO 0.05 0.58 -0.54 0.39 0.00 0.00 0.00 179.25 179.72 3n8k n GLU 142 N -4.02 0.26 0.00 0.00 4.71 -1.00 -5.11 120.64 115.49 3n8k n GLU 142 Ca -0.02 0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 3n8k n GLU 142 Cb 0.48 -1.68 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 3n8k n GLU 142 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94