#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 5.30 -0.11 1.96 1.01 -1.26 -1.76 121.20 126.33 3n8k s ILE 4 Ca 0.00 0.52 0.02 0.00 0.00 0.00 0.00 60.65 61.19 3n8k s ILE 4 Cb 0.00 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 3n8k s ILE 4 CO 0.00 0.47 -0.19 -0.69 0.00 0.00 0.00 174.94 174.53 3n8k s VAL 5 N -0.08 2.53 -0.29 2.92 1.01 0.01 -3.99 120.40 122.51 3n8k s VAL 5 Ca 0.17 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 3n8k s VAL 5 Cb -0.13 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3n8k s VAL 5 CO 0.05 0.54 0.41 0.20 0.00 0.00 0.00 175.10 176.30 3n8k s ASN 6 N 0.30 6.27 -0.34 3.32 0.01 -0.61 -1.17 114.94 122.72 3n8k s ASN 6 Ca -0.14 0.22 -0.11 0.00 -0.71 0.00 0.00 52.86 52.12 3n8k s ASN 6 Cb -0.17 -2.22 0.01 0.00 0.41 0.00 0.00 41.25 39.27 3n8k s ASN 6 CO 0.07 -0.25 0.19 -0.69 -1.51 0.00 0.00 177.10 174.91 3n8k s VAL 7 N 2.13 4.72 -0.18 1.60 1.01 0.17 -0.06 120.40 129.79 3n8k s VAL 7 Ca 0.16 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 3n8k s VAL 7 Cb -0.16 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.72 3n8k s VAL 7 CO 0.10 -0.07 -0.11 -0.63 0.00 0.00 0.00 175.10 174.39 3n8k s ILE 8 N 1.61 2.88 -0.11 2.22 1.01 0.27 -1.04 121.20 128.05 3n8k s ILE 8 Ca 0.04 -0.68 -0.00 0.00 0.00 0.00 0.00 60.65 60.01 3n8k s ILE 8 Cb -0.18 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 3n8k s ILE 8 CO 0.07 0.48 -0.09 0.20 0.00 0.00 0.00 174.94 175.61 3n8k s ASN 9 N 1.12 4.43 0.00 3.58 0.01 0.24 -1.33 114.94 122.99 3n8k s ASN 9 Ca 0.01 -0.16 0.00 0.00 -0.71 0.00 0.00 52.86 51.99 3n8k s ASN 9 Cb -0.14 -1.44 0.00 0.00 0.41 0.00 0.00 41.25 40.07 3n8k s ASN 9 CO -0.03 0.25 0.00 0.61 -1.51 0.00 0.00 177.10 176.41 3n8k n GLY 10 N 3.00 0.84 3.68 0.66 0.00 0.14 -1.89 105.19 111.62 3n8k n GLY 10 Ca -0.18 -1.84 -0.44 0.00 0.00 0.00 0.00 46.02 43.56 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 2.10 -0.67 1.61 -0.02 -1.14 -2.76 135.00 134.11 3n8k n PRO 11 Ca 0.00 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3n8k n PRO 11 Cb 0.00 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 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 1.79 0.00 0.14 2.55 3.02 -1.26 -4.37 115.26 117.13 3n8k n ASN 12 Ca 0.10 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.77 3n8k n ASN 12 Cb 0.33 -0.64 0.29 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.01 3.41 3.38 -1.88 -2.64 115.31 117.56 3n8k h LEU 13 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3n8k h LEU 13 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3n8k h LEU 13 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 3n8k n GLY 14 N 1.24 -1.22 0.58 0.83 0.00 -1.26 -3.05 105.19 102.32 3n8k n GLY 14 Ca 0.05 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.13 3n8k n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n8k n ARG 15 N -1.52 1.72 -1.53 1.61 5.12 -0.99 -4.73 116.66 116.33 3n8k n ARG 15 Ca 0.05 -1.17 -0.42 0.00 -1.93 0.00 0.00 57.85 54.37 3n8k n ARG 15 Cb 0.24 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 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 0.38 1.21 0.00 0.55 4.77 -1.17 -1.81 117.00 120.93 3n8k n LEU 16 Ca 0.16 1.00 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 3n8k n LEU 16 Cb 0.43 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 3n8k n LEU 16 CO 0.18 -2.14 0.00 0.61 -1.33 0.00 0.00 177.39 174.71 3n8k n GLY 17 N 1.49 2.62 0.09 -0.72 0.00 -1.05 -3.97 105.19 103.64 3n8k n GLY 17 Ca 0.11 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.41 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 -6.21 1.61 -0.00 -1.83 -3.42 114.38 104.53 3n8k h ARG 18 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 59.98 59.42 3n8k h ARG 18 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 29.94 3n8k h ARG 18 CO 0.00 0.47 1.00 0.50 -0.00 0.00 0.00 179.97 181.94 3n8k s ARG 19 N -2.77 4.16 -0.18 0.08 3.00 -0.75 -4.35 118.95 118.14 3n8k s ARG 19 Ca -0.03 1.84 -0.04 0.00 -1.00 0.00 0.00 55.73 56.51 3n8k s ARG 19 Cb 0.08 -3.88 0.01 0.00 0.00 0.00 0.00 34.95 31.16 3n8k s ARG 19 CO 0.81 -0.83 0.16 0.39 0.00 0.00 0.00 175.30 175.83 3n8k n GLU 20 N 6.94 -0.43 -0.21 5.12 1.02 -1.26 -4.51 120.64 127.31 3n8k n GLU 20 Ca 0.16 0.25 0.09 0.00 -0.02 0.00 0.00 57.16 57.63 3n8k n GLU 20 Cb 0.44 -0.54 0.37 0.00 -0.02 0.00 0.00 31.44 31.69 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 0.62 0.69 0.00 3.49 0.11 -1.79 -0.37 132.00 134.75 3n8k h PRO 21 Ca -0.16 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 3n8k h PRO 21 Cb 0.36 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 3n8k h PRO 21 CO 0.08 0.46 -0.13 0.00 -0.21 0.00 0.00 178.00 178.20 3n8k h ALA 22 N 1.61 1.08 0.03 -0.75 0.00 -1.87 0.61 119.26 119.96 3n8k h ALA 22 Ca 0.36 -0.12 -0.35 0.00 0.00 0.00 0.00 54.91 54.80 3n8k h ALA 22 Cb 0.44 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3n8k h ALA 22 CO -0.13 0.17 -1.96 0.28 0.00 0.00 0.00 179.25 177.60 3n8k n VAL 23 N -3.37 1.59 0.48 0.00 0.31 -0.30 -4.73 118.33 112.31 3n8k n VAL 23 Ca -0.00 -0.36 0.05 0.00 -0.01 0.00 0.00 64.34 64.01 3n8k n VAL 23 Cb 0.33 -1.82 -0.04 0.00 -0.91 0.00 0.00 33.84 31.39 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 -3.95 0.00 0.00 3.52 4.02 -0.31 -4.41 117.16 116.02 3n8k n TYR 24 Ca -0.40 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.49 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 -0.36 0.98 2.72 0.00 0.20 -4.74 105.19 105.15 3n8k n GLY 25 Ca 0.03 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.39 1.08 3.70 -0.02 0.00 -1.26 -4.00 105.19 104.29 3n8k n GLY 26 Ca 0.00 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.92 4.23 0.82 2.61 2.01 -1.26 -4.38 115.64 117.75 3n8k s THR 27 Ca 0.29 1.58 -0.12 0.00 0.31 0.00 0.00 61.69 63.75 3n8k s THR 27 Cb 0.20 -4.01 0.08 0.00 0.01 0.00 0.00 72.50 68.78 3n8k s THR 27 CO 0.30 0.05 1.15 0.42 -0.69 0.00 0.00 174.62 175.85 3n8k s THR 28 N 1.71 2.37 0.25 -0.82 -4.23 -1.26 -2.53 115.64 111.14 3n8k s THR 28 Ca 0.56 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 61.23 3n8k s THR 28 Cb -0.26 -3.03 -0.01 0.00 1.34 0.00 0.00 72.50 70.54 3n8k s THR 28 CO 0.25 -0.16 1.61 -0.74 -0.54 0.00 0.00 174.62 175.04 3n8k h HIS 29 N -1.11 0.39 -0.51 3.99 2.76 -1.82 -1.13 115.15 117.72 3n8k h HIS 29 Ca -0.47 -0.13 -0.00 0.00 -2.20 0.00 0.00 60.37 57.57 3n8k h HIS 29 Cb 1.31 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 30.17 3n8k h HIS 29 CO 0.36 0.76 0.31 -0.44 -1.30 0.00 0.00 177.93 177.61 3n8k h ASP 30 N 0.25 0.61 0.34 3.26 3.32 -1.94 -0.35 116.42 121.92 3n8k h ASP 30 Ca 0.01 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 56.90 3n8k h ASP 30 Cb 0.98 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 3n8k h ASP 30 CO 0.08 0.48 -0.45 -0.33 -1.72 0.00 0.00 179.24 177.30 3n8k h GLU 31 N 0.68 0.14 -0.26 3.56 5.08 -1.91 -2.52 114.58 119.35 3n8k h GLU 31 Ca 0.18 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3n8k h GLU 31 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3n8k h GLU 31 CO -0.03 0.57 0.01 1.25 -1.00 0.00 0.00 179.01 179.81 3n8k h LEU 32 N 0.12 0.44 -0.51 1.33 5.85 -0.87 -1.44 115.31 120.23 3n8k h LEU 32 Ca 0.01 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.51 3n8k h LEU 32 Cb 0.85 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 3n8k h LEU 32 CO 0.07 0.62 0.16 0.58 -0.34 0.00 0.00 178.44 179.52 3n8k h VAL 33 N 0.24 0.79 -0.69 1.05 2.07 -0.92 -1.01 116.25 117.77 3n8k h VAL 33 Ca 0.08 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 3n8k h VAL 33 Cb 0.39 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3n8k h VAL 33 CO 0.01 0.06 0.18 0.00 0.02 0.00 0.00 177.57 177.84 3n8k h ALA 34 N 1.36 0.91 -0.52 1.67 0.00 -1.37 -1.84 119.26 119.47 3n8k h ALA 34 Ca 0.25 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3n8k h ALA 34 Cb 0.29 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3n8k h ALA 34 CO -0.28 0.63 -0.12 -0.07 0.00 0.00 0.00 179.25 179.41 3n8k h LEU 35 N 1.04 1.02 -0.24 0.00 3.38 -0.84 -1.50 115.31 118.17 3n8k h LEU 35 Ca 0.22 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3n8k h LEU 35 Cb 0.36 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3n8k h LEU 35 CO 0.00 1.14 0.06 0.40 0.09 0.00 0.00 178.44 180.13 3n8k h ILE 36 N 0.88 1.21 -0.16 1.22 2.04 -1.11 -1.50 117.51 120.09 3n8k h ILE 36 Ca 0.13 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 3n8k h ILE 36 Cb 0.69 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 3n8k h ILE 36 CO 0.05 0.22 -0.13 -0.33 0.00 0.00 0.00 178.15 177.95 3n8k h GLU 37 N 0.20 0.25 -0.17 2.37 5.08 -1.27 0.83 114.58 121.87 3n8k h GLU 37 Ca 0.07 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 3n8k h GLU 37 Cb 0.27 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3n8k h GLU 37 CO 0.00 0.40 -0.25 0.00 -1.00 0.00 0.00 179.01 178.16 3n8k h ARG 38 N 0.24 0.48 -0.55 2.33 3.08 -1.18 -2.84 114.38 115.93 3n8k h ARG 38 Ca 0.05 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.75 3n8k h ARG 38 Cb 0.39 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3n8k h ARG 38 CO 0.02 0.87 0.07 1.49 -1.07 0.00 0.00 179.97 181.36 3n8k h GLU 39 N 0.12 0.92 -0.33 0.04 4.57 -0.91 -2.94 114.58 116.04 3n8k h GLU 39 Ca 0.02 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 57.90 3n8k h GLU 39 Cb 0.82 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 3n8k h GLU 39 CO 0.06 0.90 0.02 0.00 -1.18 0.00 0.00 179.01 178.80 3n8k h ALA 40 N 0.99 1.41 0.00 2.92 0.00 -0.92 -2.52 119.26 121.14 3n8k h ALA 40 Ca 0.16 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3n8k h ALA 40 Cb 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3n8k h ALA 40 CO 0.01 0.42 -0.43 0.00 0.00 0.00 0.00 179.25 179.25 3n8k h ALA 41 N 1.53 1.21 0.00 0.00 0.00 -1.33 0.23 119.26 120.89 3n8k h ALA 41 Ca 0.11 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 3n8k h ALA 41 Cb 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3n8k h ALA 41 CO 0.01 0.54 -0.71 0.93 0.00 0.00 0.00 179.25 180.02 3n8k h GLU 42 N 0.00 0.00 -0.00 0.00 5.08 -1.31 -3.24 114.58 115.11 3n8k h GLU 42 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 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 0.71 -0.41 1.28 -1.00 0.00 0.00 179.01 179.65 3n8k n LEU 43 N -3.47 0.82 0.00 1.33 4.77 -1.03 -4.95 117.00 114.47 3n8k n LEU 43 Ca 0.00 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3n8k n LEU 43 Cb 0.75 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3n8k n LEU 43 CO 0.43 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3n8k n GLY 44 N 1.42 0.48 3.87 -0.72 0.00 -0.75 -4.98 105.19 104.52 3n8k n GLY 44 Ca 0.09 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 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 3.60 -0.21 0.99 1.43 0.72 -4.57 118.68 120.64 3n8k s LEU 45 Ca 0.00 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3n8k s LEU 45 Cb 0.00 -2.25 0.03 0.00 0.03 0.00 0.00 46.19 44.00 3n8k s LEU 45 CO 0.00 -0.42 -0.15 -1.59 0.23 0.00 0.00 176.35 174.42 3n8k s LYS 46 N -4.04 2.82 -0.22 1.70 0.00 -0.72 -3.92 119.74 115.36 3n8k s LYS 46 Ca 0.43 -0.96 -0.09 0.00 0.00 0.00 0.00 55.97 55.35 3n8k s LYS 46 Cb -0.06 -2.73 -0.04 0.00 0.00 0.00 0.00 37.83 35.00 3n8k s LYS 46 CO 0.27 -0.32 0.11 0.00 0.00 0.00 0.00 175.35 175.41 3n8k s ALA 47 N 1.26 3.46 -0.37 0.59 0.00 -1.26 -0.81 121.76 124.64 3n8k s ALA 47 Ca 0.01 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 3n8k s ALA 47 Cb -0.15 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 20.87 3n8k s ALA 47 CO -0.09 -0.09 0.19 0.08 0.00 0.00 0.00 175.76 175.84 3n8k s VAL 48 N 0.87 4.42 -0.22 0.00 1.01 -0.32 -4.88 120.40 121.27 3n8k s VAL 48 Ca 0.05 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 3n8k s VAL 48 Cb -0.13 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 3n8k s VAL 48 CO 0.03 -0.22 0.06 -0.69 0.00 0.00 0.00 175.10 174.27 3n8k s VAL 49 N 1.53 4.41 0.02 2.92 1.01 -1.26 -0.66 120.40 128.37 3n8k s VAL 49 Ca 0.01 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3n8k s VAL 49 Cb -0.19 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 3n8k s VAL 49 CO 0.06 0.39 -0.04 -0.13 0.00 0.00 0.00 175.10 175.38 3n8k s ARG 50 N 1.11 0.30 0.00 2.72 0.52 -0.20 -5.00 118.95 118.40 3n8k s ARG 50 Ca 0.04 -0.49 0.02 0.00 -0.52 0.00 0.00 55.73 54.78 3n8k s ARG 50 Cb -0.14 -0.03 -0.01 0.00 0.52 0.00 0.00 34.95 35.29 3n8k s ARG 50 CO 0.03 -0.01 -0.06 -1.14 0.02 0.00 0.00 175.30 174.14 3n8k s GLN 51 N -1.10 0.49 -0.08 3.54 -0.44 -1.26 -0.59 119.66 120.22 3n8k s GLN 51 Ca -0.10 -0.28 -0.20 0.00 -2.50 0.00 0.00 55.36 52.28 3n8k s GLN 51 Cb -0.07 -0.45 0.04 0.00 -1.64 0.00 0.00 33.01 30.89 3n8k s GLN 51 CO -0.00 0.12 0.46 0.45 0.50 0.00 0.00 175.29 176.82 3n8k s SER 52 N -0.31 -0.42 0.00 6.67 0.15 -0.79 -4.99 113.70 114.01 3n8k s SER 52 Ca 0.01 0.56 0.26 0.00 0.70 0.00 0.00 55.95 57.48 3n8k s SER 52 Cb -0.03 0.61 0.78 0.00 -1.71 0.00 0.00 66.02 65.67 3n8k s SER 52 CO -0.00 -0.39 1.59 0.47 1.20 0.00 0.00 173.24 176.11 3n8k n ASP 53 N 1.73 0.55 -4.63 5.45 8.00 -1.26 -2.90 116.55 123.49 3n8k n ASP 53 Ca -0.18 -0.35 -0.40 0.00 0.71 0.00 0.00 54.79 54.57 3n8k n ASP 53 Cb 0.56 0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 41.66 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 -2.79 6.45 0.24 -2.24 0.15 -1.26 -4.66 113.70 109.60 3n8k s SER 54 Ca 0.18 0.55 -0.05 0.00 0.70 0.00 0.00 55.95 57.32 3n8k s SER 54 Cb 0.19 -2.28 0.33 0.00 -1.71 0.00 0.00 66.02 62.55 3n8k s SER 54 CO 0.60 -0.25 1.86 -0.08 1.20 0.00 0.00 173.24 176.56 3n8k h GLU 55 N 7.86 0.96 -0.78 5.44 4.81 -2.00 -2.22 114.58 128.65 3n8k h GLU 55 Ca -0.30 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3n8k h GLU 55 Cb 1.15 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 3n8k h GLU 55 CO 0.72 0.64 0.50 0.00 -0.73 0.00 0.00 179.01 180.14 3n8k h ALA 56 N 1.41 1.41 -0.34 2.92 0.00 -1.99 -0.69 119.26 121.97 3n8k h ALA 56 Ca 0.38 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 55.05 3n8k h ALA 56 Cb 0.16 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3n8k h ALA 56 CO -0.17 0.53 -0.46 0.37 0.00 0.00 0.00 179.25 179.53 3n8k h GLN 57 N 1.07 0.90 -0.78 0.00 5.75 -1.87 -1.85 115.11 118.33 3n8k h GLN 57 Ca 0.28 -0.52 -0.05 0.00 -0.15 0.00 0.00 58.65 58.22 3n8k h GLN 57 Cb -0.10 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 3n8k h GLN 57 CO -0.06 1.16 0.28 -0.07 -2.65 0.00 0.00 178.83 177.49 3n8k h LEU 58 N 0.72 1.10 -0.72 -2.39 3.38 -0.97 -1.63 115.31 114.80 3n8k h LEU 58 Ca 0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3n8k h LEU 58 Cb 1.06 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3n8k h LEU 58 CO 0.11 0.99 0.44 -0.07 0.09 0.00 0.00 178.44 179.99 3n8k h LEU 59 N 1.14 0.86 -0.29 1.67 4.07 -1.06 -1.86 115.31 119.85 3n8k h LEU 59 Ca 0.26 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.14 3n8k h LEU 59 Cb 0.26 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 3n8k h LEU 59 CO -0.02 0.67 0.13 -0.78 -1.08 0.00 0.00 178.44 177.36 3n8k h ASP 60 N 0.98 0.38 -0.62 -0.43 3.58 -0.98 -0.91 116.42 118.42 3n8k h ASP 60 Ca 0.26 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.53 3n8k h ASP 60 Cb -0.04 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 3n8k h ASP 60 CO -0.05 0.42 0.27 -0.50 -2.88 0.00 0.00 179.24 176.50 3n8k h TRP 61 N 0.33 0.96 -0.24 0.28 6.55 -1.21 -2.27 115.95 120.34 3n8k h TRP 61 Ca 0.10 -0.06 -0.17 0.00 0.95 0.00 0.00 58.89 59.72 3n8k h TRP 61 Cb 0.14 -0.29 -0.00 0.00 -0.86 0.00 0.00 29.16 28.14 3n8k h TRP 61 CO -0.01 0.73 -0.52 0.82 -1.05 0.00 0.00 178.44 178.41 3n8k h ILE 62 N 0.94 1.30 -0.92 1.49 2.04 -1.16 -2.50 117.51 118.70 3n8k h ILE 62 Ca 0.22 -1.73 0.01 0.00 1.00 0.00 0.00 64.86 64.37 3n8k h ILE 62 Cb 0.17 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 3n8k h ILE 62 CO -0.02 0.55 0.61 0.45 0.00 0.00 0.00 178.15 179.74 3n8k h HIS 63 N 0.54 1.15 -0.52 1.37 3.86 -0.95 -1.29 115.15 119.31 3n8k h HIS 63 Ca 0.02 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 3n8k h HIS 63 Cb 1.08 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 3n8k h HIS 63 CO 0.05 0.71 0.15 1.96 0.86 0.00 0.00 177.93 181.67 3n8k h GLN 64 N 1.23 0.82 0.00 2.45 4.20 -1.29 -1.64 115.11 120.87 3n8k h GLN 64 Ca 0.34 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 3n8k h GLN 64 Cb -0.12 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 3n8k h GLN 64 CO -0.08 0.76 -0.27 0.00 -0.67 0.00 0.00 178.83 178.57 3n8k h ALA 65 N 1.02 1.44 -0.20 3.87 0.00 -1.22 -0.89 119.26 123.27 3n8k h ALA 65 Ca 0.17 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3n8k h ALA 65 Cb 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3n8k h ALA 65 CO -0.00 0.33 -0.23 0.00 0.00 0.00 0.00 179.25 179.35 3n8k h ALA 66 N 1.73 0.30 -0.47 0.00 0.00 -0.79 -1.19 119.26 118.86 3n8k h ALA 66 Ca -0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 3n8k h ALA 66 Cb 0.51 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3n8k h ALA 66 CO 0.03 0.26 -0.20 -0.44 0.00 0.00 0.00 179.25 178.91 3n8k h ASP 67 N 0.19 0.98 0.46 0.00 3.32 -1.09 -3.03 116.42 117.26 3n8k h ASP 67 Ca 0.03 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3n8k h ASP 67 Cb 0.79 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3n8k h ASP 67 CO 0.06 1.16 -0.07 0.00 -1.72 0.00 0.00 179.24 178.66 3n8k n ALA 68 N -2.51 2.66 -3.84 3.45 0.00 -0.36 -4.94 120.51 114.98 3n8k n ALA 68 Ca -0.00 -0.21 -0.27 0.00 0.00 0.00 0.00 53.44 52.95 3n8k n ALA 68 Cb 0.45 -1.40 0.03 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.12 -1.53 -2.88 0.00 0.00 -0.68 -4.99 120.51 109.31 3n8k n ALA 69 Ca 0.14 0.08 -0.36 0.00 0.00 0.00 0.00 53.44 53.30 3n8k n ALA 69 Cb 0.26 -3.67 -0.06 0.00 0.00 0.00 0.00 19.45 15.99 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 -6.41 3.44 0.64 0.00 2.02 -0.54 -4.64 118.70 113.21 3n8k s GLU 70 Ca 0.44 -0.17 -0.18 0.00 0.02 0.00 0.00 54.97 55.08 3n8k s GLU 70 Cb -0.22 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 30.82 3n8k s GLU 70 CO 0.82 0.76 1.22 -2.30 0.02 0.00 0.00 175.26 175.78 3n8k n PRO 71 N 1.75 1.06 -4.70 0.39 -0.02 -1.26 -4.70 135.00 127.53 3n8k n PRO 71 Ca -0.18 0.42 -0.25 0.00 -2.02 0.00 0.00 63.50 61.46 3n8k n PRO 71 Cb 0.54 -2.46 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 3n8k n PRO 71 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3n8k s VAL 72 N -1.41 1.28 -0.27 -1.45 1.01 -0.45 -1.58 120.40 117.52 3n8k s VAL 72 Ca 0.82 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 3n8k s VAL 72 Cb -0.39 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 34.86 3n8k s VAL 72 CO 0.41 0.38 0.03 -0.63 0.00 0.00 0.00 175.10 175.30 3n8k s ILE 73 N 0.45 3.70 -0.15 2.22 1.01 0.92 -0.55 121.20 128.79 3n8k s ILE 73 Ca -0.12 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 59.86 3n8k s ILE 73 Cb -0.14 -2.86 0.02 0.00 0.01 0.00 0.00 42.46 39.49 3n8k s ILE 73 CO 0.04 0.18 -0.16 -0.22 0.00 0.00 0.00 174.94 174.77 3n8k s LEU 74 N 1.47 1.82 -0.42 2.97 2.96 0.16 -0.57 118.68 127.09 3n8k s LEU 74 Ca 0.03 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.38 3n8k s LEU 74 Cb -0.16 -1.26 0.11 0.00 0.50 0.00 0.00 46.19 45.37 3n8k s LEU 74 CO 0.00 -0.03 0.21 0.21 -1.32 0.00 0.00 176.35 175.42 3n8k s ASN 75 N 1.37 5.24 0.00 3.68 3.84 -0.44 -1.28 114.94 127.35 3n8k s ASN 75 Ca 0.04 -2.07 0.22 0.00 0.21 0.00 0.00 52.86 51.26 3n8k s ASN 75 Cb -0.13 -1.82 1.01 0.00 -0.55 0.00 0.00 41.25 39.76 3n8k s ASN 75 CO -0.10 -0.53 1.69 0.00 -2.79 0.00 0.00 177.10 175.36 3n8k n ALA 76 N 4.54 2.57 -0.98 1.71 0.00 -1.26 0.24 120.51 127.33 3n8k n ALA 76 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3n8k n ALA 76 Cb 0.41 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.00 3.45 0.23 0.00 0.00 -1.26 -2.23 105.19 106.39 3n8k n GLY 77 Ca 0.16 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.79 103.07 100.31 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 -0.90 3.11 3.38 -1.82 -2.45 115.31 116.63 3n8k h LEU 79 Ca -0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 3n8k h LEU 79 Cb 0.27 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.91 3n8k h LEU 79 CO 0.02 0.00 0.47 0.74 0.09 0.00 0.00 178.44 179.76 3n8k h THR 80 N 0.00 0.67 -0.02 0.22 2.02 -1.58 -0.05 112.91 114.18 3n8k h THR 80 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3n8k h THR 80 Cb 0.31 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 3n8k h THR 80 CO 0.00 0.11 -0.17 1.41 0.37 0.00 0.00 175.52 177.24 3n8k n HIS 81 N -4.88 0.00 0.00 3.16 8.25 -0.92 -1.57 115.22 119.26 3n8k n HIS 81 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 3n8k n HIS 81 Cb 0.51 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 0.11 0.00 -2.97 1.59 -2.24 -1.00 -4.83 114.28 104.94 3n8k n THR 82 Ca 0.14 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.49 3n8k n THR 82 Cb 0.42 -0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.56 6.35 0.19 3.42 0.15 -0.07 -4.87 113.70 116.31 3n8k s SER 83 Ca 0.00 -0.35 0.07 0.00 0.70 0.00 0.00 55.95 56.37 3n8k s SER 83 Cb 0.00 -2.38 0.07 0.00 -1.71 0.00 0.00 66.02 61.99 3n8k s SER 83 CO 0.00 -1.01 1.44 0.58 1.20 0.00 0.00 173.24 175.45 3n8k h VAL 84 N 5.97 1.55 -0.42 4.45 2.07 -1.96 -3.12 116.25 124.78 3n8k h VAL 84 Ca -0.26 -2.70 -0.00 0.00 0.82 0.00 0.00 66.70 64.57 3n8k h VAL 84 Cb 1.08 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 33.30 3n8k h VAL 84 CO 1.00 0.77 0.25 0.00 0.02 0.00 0.00 177.57 179.62 3n8k h ALA 85 N 1.14 0.53 -0.66 1.67 0.00 -1.98 -0.41 119.26 119.55 3n8k h ALA 85 Ca -0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3n8k h ALA 85 Cb 1.43 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3n8k h ALA 85 CO 0.11 0.02 0.24 1.25 0.00 0.00 0.00 179.25 180.87 3n8k h LEU 86 N 0.55 0.94 -0.38 0.00 5.85 -1.95 -1.79 115.31 118.54 3n8k h LEU 86 Ca 0.15 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.73 3n8k h LEU 86 Cb -0.01 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 3n8k h LEU 86 CO -0.03 0.88 0.12 -0.09 -0.34 0.00 0.00 178.44 178.98 3n8k h ARG 87 N 0.95 0.26 -0.36 1.25 2.43 -1.42 -0.78 114.38 116.71 3n8k h ARG 87 Ca 0.22 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3n8k h ARG 87 Cb 0.25 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3n8k h ARG 87 CO -0.01 0.17 0.07 -0.44 -1.51 0.00 0.00 179.97 178.25 3n8k h ASP 88 N 0.27 0.48 -0.43 -3.80 3.32 -0.79 -0.98 116.42 114.48 3n8k h ASP 88 Ca 0.18 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 3n8k h ASP 88 Cb 0.17 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3n8k h ASP 88 CO -0.20 0.50 -0.06 0.00 -1.72 0.00 0.00 179.24 177.76 3n8k h ALA 89 N 1.57 0.59 0.00 3.45 0.00 -0.86 -3.09 119.26 120.92 3n8k h ALA 89 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3n8k h ALA 89 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3n8k h ALA 89 CO -0.00 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3n8k n ALA 91 N -2.09 1.85 0.51 0.00 0.00 -0.43 -2.50 120.51 117.84 3n8k n ALA 91 Ca 0.01 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.61 3n8k n ALA 91 Cb 0.30 -1.40 0.31 0.00 0.00 0.00 0.00 19.45 18.66 3n8k n ALA 91 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3n8k h GLU 92 N 0.00 0.00 -6.41 0.00 5.08 -1.61 -3.46 114.58 108.17 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 0.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.72 3n8k h GLU 92 CO 0.00 0.00 0.83 -0.51 -1.00 0.00 0.00 179.01 178.33 3n8k s LEU 93 N -4.93 4.33 -0.08 1.33 1.43 -1.04 -4.86 118.68 114.86 3n8k s LEU 93 Ca 0.09 2.19 0.06 0.00 -1.03 0.00 0.00 54.13 55.44 3n8k s LEU 93 Cb 0.11 -3.57 -0.24 0.00 0.03 0.00 0.00 46.19 42.52 3n8k s LEU 93 CO 0.64 -0.72 0.52 -1.54 0.23 0.00 0.00 176.35 175.48 3n8k n SER 94 N 5.13 1.31 -4.87 2.29 3.41 -1.26 -4.94 113.62 114.70 3n8k n SER 94 Ca 0.13 0.32 -0.31 0.00 -0.26 0.00 0.00 58.87 58.75 3n8k n SER 94 Cb 0.43 -0.32 -0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3n8k n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n8k s ALA 95 N -2.58 3.11 0.45 7.33 0.00 -1.26 -5.00 121.76 123.81 3n8k s ALA 95 Ca -0.12 -0.05 -0.24 0.00 0.00 0.00 0.00 51.96 51.55 3n8k s ALA 95 Cb 0.07 -3.06 -0.09 0.00 0.00 0.00 0.00 23.12 20.05 3n8k s ALA 95 CO 0.80 -0.55 1.16 -2.30 0.00 0.00 0.00 175.76 174.87 3n8k n PRO 96 N -2.42 1.62 -4.07 0.00 -0.02 -1.26 -4.74 135.00 124.12 3n8k n PRO 96 Ca 0.06 0.58 -0.32 0.00 -2.02 0.00 0.00 63.50 61.80 3n8k n PRO 96 Cb 0.54 -2.27 -0.16 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.49 2.01 -0.20 2.45 2.96 -1.26 -1.34 118.68 121.81 3n8k s LEU 97 Ca 0.64 -0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 3n8k s LEU 97 Cb -0.51 -1.35 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 3n8k s LEU 97 CO 0.56 -0.04 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.85 3n8k s ILE 98 N 1.37 3.21 -0.03 6.68 1.09 0.29 0.19 121.20 134.00 3n8k s ILE 98 Ca 0.04 -0.56 -0.26 0.00 -1.10 0.00 0.00 60.65 58.77 3n8k s ILE 98 Cb -0.13 -2.44 -0.04 0.00 -1.06 0.00 0.00 42.46 38.79 3n8k s ILE 98 CO -0.11 0.45 0.83 -0.70 -0.10 0.00 0.00 174.94 175.30 3n8k s GLU 99 N 1.30 4.50 -0.05 2.79 2.12 -0.26 -0.66 118.70 128.43 3n8k s GLU 99 Ca 0.04 1.13 0.04 0.00 0.36 0.00 0.00 54.97 56.53 3n8k s GLU 99 Cb -0.14 -3.45 -0.00 0.00 0.26 0.00 0.00 34.13 30.80 3n8k s GLU 99 CO -0.03 0.03 -0.17 0.08 -0.54 0.00 0.00 175.26 174.63 3n8k s VAL 100 N 0.82 1.45 -0.04 3.70 1.01 -0.41 -0.20 120.40 126.74 3n8k s VAL 100 Ca 0.44 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3n8k s VAL 100 Cb -0.19 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 34.94 3n8k s VAL 100 CO 0.23 0.42 -0.10 -1.00 0.00 0.00 0.00 175.10 174.64 3n8k s HIS 101 N 0.18 1.12 -0.00 5.22 3.76 0.27 -4.08 115.29 121.76 3n8k s HIS 101 Ca -0.07 -0.31 -0.25 0.00 -0.15 0.00 0.00 55.06 54.27 3n8k s HIS 101 Cb -0.13 -0.80 -0.19 0.00 1.11 0.00 0.00 32.58 32.57 3n8k s HIS 101 CO 0.03 -0.14 1.31 0.82 -0.85 0.00 0.00 174.74 175.91 3n8k h ILE 102 N 5.52 1.16 -3.89 0.60 2.04 -1.86 -2.00 117.51 119.09 3n8k h ILE 102 Ca -0.33 -0.86 -0.50 0.00 1.00 0.00 0.00 64.86 64.17 3n8k h ILE 102 Cb 1.17 1.72 0.03 0.00 -0.74 0.00 0.00 36.82 39.00 3n8k h ILE 102 CO 0.48 0.21 0.23 -0.94 0.00 0.00 0.00 178.15 178.13 3n8k s SER 103 N -5.48 6.36 -0.74 1.72 1.04 -1.26 -2.05 113.70 113.29 3n8k s SER 103 Ca -0.15 1.18 -0.26 0.00 0.48 0.00 0.00 55.95 57.20 3n8k s SER 103 Cb 0.02 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.79 3n8k s SER 103 CO 0.64 -0.61 1.60 0.21 0.98 0.00 0.00 173.24 176.06 3n8k s ASN 104 N -3.77 5.73 0.50 7.02 3.84 -1.26 -2.60 114.94 124.40 3n8k s ASN 104 Ca 0.52 -0.27 0.34 0.00 0.21 0.00 0.00 52.86 53.65 3n8k s ASN 104 Cb -0.10 -2.55 1.73 0.00 -0.55 0.00 0.00 41.25 39.77 3n8k s ASN 104 CO 0.42 -2.12 2.03 1.62 -2.79 0.00 0.00 177.10 176.26 3n8k h VAL 105 N 6.59 0.00 0.00 -5.21 3.04 -1.92 -1.87 116.25 116.88 3n8k h VAL 105 Ca -0.18 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 3n8k h VAL 105 Cb 1.09 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 3n8k h VAL 105 CO 1.26 0.00 -0.63 1.41 -1.01 0.00 0.00 177.57 178.60 3n8k n HIS 106 N -2.75 0.01 0.26 3.17 8.25 -1.26 -3.75 115.22 119.14 3n8k n HIS 106 Ca -0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.56 3n8k n HIS 106 Cb 0.12 -0.20 0.27 0.00 1.12 0.00 0.00 29.99 31.30 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 -1.51 2.42 -2.69 -1.41 0.00 -0.70 -4.95 120.51 111.67 3n8k n ALA 107 Ca 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.49 3n8k n ALA 107 Cb 0.34 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 1.31 3.99 -1.69 0.00 1.74 -1.24 -5.09 116.66 115.67 3n8k n ARG 108 Ca 0.20 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.92 3n8k n ARG 108 Cb 0.55 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.06 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 2.64 2.49 0.31 5.56 8.01 -1.26 -4.93 118.70 131.53 3n8k s GLU 109 Ca 0.00 1.94 -0.01 0.00 0.01 0.00 0.00 54.97 56.91 3n8k s GLU 109 Cb 0.00 -1.85 0.48 0.00 -4.31 0.00 0.00 34.13 28.45 3n8k s GLU 109 CO 0.00 -1.61 1.96 1.49 0.01 0.00 0.00 175.26 177.11 3n8k h GLU 110 N 0.36 0.99 0.00 1.61 4.22 -1.96 -2.40 114.58 117.39 3n8k h GLU 110 Ca -0.50 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 58.86 3n8k h GLU 110 Cb 1.32 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3n8k h GLU 110 CO 0.52 0.68 0.00 1.97 -2.18 0.00 0.00 179.01 180.01 3n8k n PHE 111 N -4.40 0.04 1.09 0.92 1.16 -1.26 -1.91 117.46 113.11 3n8k n PHE 111 Ca 0.08 0.02 0.13 0.00 -1.87 0.00 0.00 57.45 55.80 3n8k n PHE 111 Cb 0.06 -0.53 0.37 0.00 -1.61 0.00 0.00 39.48 37.78 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 -1.54 0.23 -0.25 3.97 1.74 -0.90 -4.20 116.66 115.72 3n8k n ARG 112 Ca 0.03 -0.12 0.07 0.00 -0.77 0.00 0.00 57.85 57.06 3n8k n ARG 112 Cb 0.13 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.27 3n8k n ARG 112 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3n8k n ARG 113 N -1.28 2.12 -2.80 5.56 1.74 -0.80 -4.45 116.66 116.74 3n8k n ARG 113 Ca 0.08 -1.62 -0.19 0.00 -0.77 0.00 0.00 57.85 55.35 3n8k n ARG 113 Cb 0.33 -1.39 -0.00 0.00 -1.02 0.00 0.00 32.46 30.38 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 0.78 1.94 -1.62 -1.55 8.25 -1.26 -5.07 115.22 116.69 3n8k n HIS 114 Ca 0.15 -3.34 -0.48 0.00 -0.26 0.00 0.00 57.72 53.79 3n8k n HIS 114 Cb 0.40 -0.34 -0.04 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.11 2.12 0.22 0.41 2.88 -1.26 -4.83 113.62 113.05 3n8k n SER 115 Ca 0.24 1.12 0.14 0.00 -1.33 0.00 0.00 58.87 59.04 3n8k n SER 115 Cb 0.67 -1.31 0.43 0.00 -0.75 0.00 0.00 64.21 63.25 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 4.39 0.00 0.00 0.66 0.05 -1.61 -3.33 116.97 117.14 3n8k h TYR 116 Ca -0.45 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.01 3n8k h TYR 116 Cb 1.31 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.99 3n8k h TYR 116 CO 0.58 0.00 -1.92 1.28 -1.05 0.00 0.00 178.16 177.04 3n8k n LEU 117 N -2.89 0.61 -0.25 3.88 4.77 -1.26 -4.43 117.00 117.43 3n8k n LEU 117 Ca 0.03 0.28 0.03 0.00 -0.03 0.00 0.00 56.01 56.32 3n8k n LEU 117 Cb 0.40 0.27 0.16 0.00 -2.33 0.00 0.00 43.42 41.92 3n8k n LEU 117 CO 0.29 0.42 1.05 0.28 -1.33 0.00 0.00 177.39 178.11 3n8k h SER 118 N 0.00 0.40 0.41 -1.43 0.02 -1.94 -1.18 113.55 109.84 3n8k h SER 118 Ca -0.37 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3n8k h SER 118 Cb 2.09 0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.65 3n8k h SER 118 CO 0.06 0.21 0.00 -0.65 -1.14 0.00 0.00 176.83 175.31 3n8k h PRO 119 N 0.55 0.00 -0.00 3.45 0.11 -1.79 -2.84 132.00 131.48 3n8k h PRO 119 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 3n8k h PRO 119 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3n8k h PRO 119 CO -0.32 0.00 -0.18 0.44 -0.21 0.00 0.00 178.00 177.74 3n8k n ILE 120 N -2.58 0.00 -2.09 4.15 -5.35 -0.81 -5.01 119.36 107.67 3n8k n ILE 120 Ca -0.00 -0.41 -0.32 0.00 -0.27 0.00 0.00 62.75 61.74 3n8k n ILE 120 Cb 0.15 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.12 3n8k n ILE 120 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3n8k s ALA 121 N -1.19 2.85 0.05 -1.28 0.00 -0.51 -4.91 121.76 116.77 3n8k s ALA 121 Ca 0.05 0.28 -0.22 0.00 0.00 0.00 0.00 51.96 52.07 3n8k s ALA 121 Cb 0.05 -3.19 -0.14 0.00 0.00 0.00 0.00 23.12 19.85 3n8k s ALA 121 CO 0.19 -0.68 1.49 1.15 0.00 0.00 0.00 175.76 177.91 3n8k h THR 122 N 0.41 1.24 -3.52 0.00 2.02 -0.57 -3.48 112.91 109.02 3n8k h THR 122 Ca -0.46 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 65.91 3n8k h THR 122 Cb 1.21 1.53 -0.09 0.00 -1.74 0.00 0.00 68.15 69.06 3n8k h THR 122 CO 0.59 0.22 -0.06 -0.83 0.37 0.00 0.00 175.52 175.81 3n8k s GLY 123 N -2.92 0.34 -0.03 2.16 0.00 -1.14 -5.03 107.32 100.69 3n8k s GLY 123 Ca -0.14 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 43.90 3n8k s GLY 123 CO 0.70 -0.50 -0.06 0.14 0.00 0.00 0.00 173.10 173.38 3n8k s VAL 124 N -3.98 0.57 -0.16 1.40 1.01 -1.26 -1.10 120.40 116.88 3n8k s VAL 124 Ca 0.18 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3n8k s VAL 124 Cb -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.81 3n8k s VAL 124 CO 0.06 0.21 -0.17 -0.63 0.00 0.00 0.00 175.10 174.57 3n8k s ILE 125 N 0.62 2.45 -0.03 2.22 1.01 0.72 -4.97 121.20 123.23 3n8k s ILE 125 Ca -0.08 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.75 3n8k s ILE 125 Cb -0.12 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.34 3n8k s ILE 125 CO 0.00 0.52 -0.06 -0.69 0.00 0.00 0.00 174.94 174.72 3n8k s VAL 126 N 0.96 0.56 0.00 2.92 1.01 -1.26 -0.57 120.40 124.02 3n8k s VAL 126 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3n8k s VAL 126 Cb -0.15 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.69 3n8k s VAL 126 CO -0.03 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3n8k n GLY 127 N 3.62 0.80 1.73 4.51 0.00 -0.75 -4.81 105.19 110.30 3n8k n GLY 127 Ca -0.21 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 3n8k n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n8k n LEU 128 N 0.00 5.18 0.00 0.99 4.77 -1.24 -4.62 117.00 122.08 3n8k n LEU 128 Ca 0.00 -2.66 0.00 0.00 -0.03 0.00 0.00 56.01 53.32 3n8k n LEU 128 Cb 0.00 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 3n8k n LEU 128 CO 0.00 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3n8k n GLY 129 N 0.18 1.25 0.24 -0.72 0.00 -0.87 -3.00 105.19 102.27 3n8k n GLY 129 Ca 0.29 -0.63 0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 0.71 0.00 -0.61 6.09 -1.89 -2.93 117.51 118.88 3n8k h ILE 130 Ca 0.00 -0.80 0.00 0.00 -1.37 0.00 0.00 64.86 62.69 3n8k h ILE 130 Cb 0.00 1.50 0.00 0.00 0.47 0.00 0.00 36.82 38.79 3n8k h ILE 130 CO 0.00 0.19 0.00 -0.61 -3.07 0.00 0.00 178.15 174.66 3n8k h GLN 131 N 0.00 0.00 -0.97 2.19 4.15 -1.96 -2.91 115.11 115.60 3n8k h GLN 131 Ca -0.00 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.52 3n8k h GLN 131 Cb 0.48 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.10 3n8k h GLN 131 CO 0.02 0.00 0.62 0.78 -1.93 0.00 0.00 178.83 178.33 3n8k h GLY 132 N 1.75 1.50 0.97 2.39 0.00 -1.51 0.11 103.07 108.27 3n8k h GLY 132 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3n8k h GLY 132 CO 0.00 0.23 0.20 -0.97 0.00 0.00 0.00 176.54 176.00 3n8k h TYR 133 N 1.02 0.50 -0.29 5.60 -1.99 -1.75 -2.00 116.97 118.07 3n8k h TYR 133 Ca 0.45 -0.01 -0.11 0.00 2.00 0.00 0.00 58.73 61.06 3n8k h TYR 133 Cb 0.37 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.93 3n8k h TYR 133 CO -0.00 0.39 -0.28 -0.07 -0.00 0.00 0.00 178.16 178.20 3n8k h LEU 134 N 0.47 0.59 -0.75 3.88 3.38 -1.41 -1.88 115.31 119.59 3n8k h LEU 134 Ca 0.13 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3n8k h LEU 134 Cb 0.05 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3n8k h LEU 134 CO -0.02 0.85 -0.60 -0.07 0.09 0.00 0.00 178.44 178.69 3n8k h LEU 135 N 0.50 0.11 -0.72 1.67 3.38 -1.00 -2.67 115.31 116.59 3n8k h LEU 135 Ca 0.07 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3n8k h LEU 135 Cb 0.74 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3n8k h LEU 135 CO 0.06 0.68 -0.24 0.00 0.09 0.00 0.00 178.44 179.03 3n8k h ALA 136 N 1.32 0.90 -0.83 1.53 0.00 -0.97 -2.44 119.26 118.77 3n8k h ALA 136 Ca -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3n8k h ALA 136 Cb 1.07 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3n8k h ALA 136 CO 0.08 0.62 0.49 -0.07 0.00 0.00 0.00 179.25 180.37 3n8k h LEU 137 N 0.63 1.00 -0.64 0.00 3.38 -1.21 -2.38 115.31 116.10 3n8k h LEU 137 Ca 0.09 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3n8k h LEU 137 Cb 0.74 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3n8k h LEU 137 CO 0.06 0.78 0.06 0.03 0.09 0.00 0.00 178.44 179.46 3n8k h ARG 138 N 1.14 1.08 -0.53 1.13 3.08 -1.28 -0.20 114.38 118.80 3n8k h ARG 138 Ca 0.29 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3n8k h ARG 138 Cb -0.03 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3n8k h ARG 138 CO -0.05 1.02 0.34 -0.92 -1.07 0.00 0.00 179.97 179.29 3n8k h TYR 139 N 0.99 0.67 0.00 3.04 3.20 -1.31 -2.56 116.97 121.00 3n8k h TYR 139 Ca 0.19 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 3n8k h TYR 139 Cb 0.49 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3n8k h TYR 139 CO 0.04 0.43 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.64 3n8k h LEU 140 N 0.71 0.00 -1.10 2.82 3.38 -1.05 -1.43 115.31 118.64 3n8k h LEU 140 Ca 0.19 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3n8k h LEU 140 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3n8k h LEU 140 CO -0.04 0.27 -0.45 0.00 0.09 0.00 0.00 178.44 178.31 3n8k h ALA 141 N 1.73 1.26 0.00 1.53 0.00 -0.64 -2.79 119.26 120.33 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 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3n8k h ALA 141 CO 0.04 0.56 -0.71 0.93 0.00 0.00 0.00 179.25 180.06 3n8k h GLU 142 N 0.00 0.00 0.00 0.00 3.07 -1.14 -3.51 114.58 113.00 3n8k h GLU 142 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3n8k h GLU 142 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3n8k h GLU 142 CO 0.06 0.00 0.00 0.72 -1.40 0.00 0.00 179.01 178.39