#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kch s ILE 4 N 0.00 4.26 0.00 1.55 1.01 -1.26 -4.89 121.20 121.87 3kch s ILE 4 Ca 0.00 -1.35 0.13 0.00 0.00 0.00 0.00 60.65 59.43 3kch s ILE 4 Cb 0.00 -3.59 0.22 0.00 0.01 0.00 0.00 42.46 39.10 3kch s ILE 4 CO 0.00 -0.48 1.05 -0.46 0.00 0.00 0.00 174.94 175.05 3kch n ASN 5 N 4.93 0.39 -4.93 3.58 6.94 -1.26 -4.77 115.26 120.14 3kch n ASN 5 Ca -0.10 -1.93 -0.25 0.00 -0.02 0.00 0.00 54.58 52.28 3kch n ASN 5 Cb 0.43 -0.18 -0.03 0.00 -2.36 0.00 0.00 39.78 37.64 3kch n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3kch s THR 6 N 0.00 5.21 0.18 5.53 -4.23 -1.26 -0.54 115.64 120.52 3kch s THR 6 Ca 0.17 -0.80 -0.15 0.00 -1.18 0.00 0.00 61.69 59.72 3kch s THR 6 Cb 0.20 -3.71 0.14 0.00 1.34 0.00 0.00 72.50 70.46 3kch s THR 6 CO -0.09 -0.15 1.66 -0.26 -0.54 0.00 0.00 174.62 175.25 3kch h PHE 7 N 1.96 -0.20 -0.24 3.99 0.04 -1.98 -0.02 116.94 120.49 3kch h PHE 7 Ca -0.49 0.04 -0.17 0.00 2.80 0.00 0.00 57.97 60.15 3kch h PHE 7 Cb 1.20 0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.52 3kch h PHE 7 CO 0.52 -0.18 -0.51 -0.44 -0.60 0.00 0.00 178.31 177.09 3kch h ASP 8 N 0.03 0.87 -0.31 2.17 3.32 -1.98 -0.63 116.42 119.88 3kch h ASP 8 Ca 0.24 -0.55 -0.03 0.00 0.02 0.00 0.00 57.03 56.70 3kch h ASP 8 Cb 0.36 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3kch h ASP 8 CO -0.48 1.26 0.06 1.23 -1.72 0.00 0.00 179.24 179.59 3kch h GLY 9 N 0.51 0.54 1.12 2.75 0.00 -1.90 -1.74 103.07 104.36 3kch h GLY 9 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 47.33 46.81 3kch h GLY 9 CO 0.11 0.33 -0.51 -2.08 0.00 0.00 0.00 176.54 174.39 3kch h VAL 10 N 0.34 1.28 -0.37 4.60 2.07 -1.02 -1.93 116.25 121.22 3kch h VAL 10 Ca 0.10 -1.69 0.06 0.00 0.82 0.00 0.00 66.70 65.99 3kch h VAL 10 Cb 0.32 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 3kch h VAL 10 CO 0.00 0.55 0.02 0.00 0.02 0.00 0.00 177.57 178.17 3kch h ALA 11 N 0.68 0.35 0.00 1.67 0.00 -1.04 -0.64 119.26 120.28 3kch h ALA 11 Ca 0.02 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3kch h ALA 11 Cb 1.12 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3kch h ALA 11 CO 0.12 -0.38 -0.68 -0.44 0.00 0.00 0.00 179.25 177.87 3kch h ASP 12 N 0.12 0.00 -0.42 0.00 3.32 -1.25 -2.72 116.42 115.47 3kch h ASP 12 Ca 0.18 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 3kch h ASP 12 Cb 0.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3kch h ASP 12 CO -0.28 0.68 0.05 0.22 -1.72 0.00 0.00 179.24 178.19 3kch h TYR 13 N 0.00 0.75 -0.50 4.55 5.03 -0.98 -2.66 116.97 123.16 3kch h TYR 13 Ca -0.01 -0.11 -0.01 0.00 2.58 0.00 0.00 58.73 61.18 3kch h TYR 13 Cb 1.21 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 39.26 3kch h TYR 13 CO 0.00 0.73 0.26 -0.07 -1.32 0.00 0.00 178.16 177.76 3kch h LEU 14 N 0.55 0.64 -0.71 2.82 3.38 -1.01 0.37 115.31 121.35 3kch h LEU 14 Ca 0.12 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3kch h LEU 14 Cb 0.40 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3kch h LEU 14 CO 0.01 0.57 -0.53 1.56 0.09 0.00 0.00 178.44 180.14 3kch h GLN 15 N 0.66 0.00 0.01 1.13 4.20 -1.46 0.27 115.11 119.93 3kch h GLN 15 Ca 0.17 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.63 3kch h GLN 15 Cb 0.08 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 3kch h GLN 15 CO -0.03 0.53 -1.41 2.41 -0.67 0.00 0.00 178.83 179.67 3kch n THR 16 N -3.59 1.56 0.33 -0.54 -1.04 -1.01 -4.60 114.28 105.40 3kch n THR 16 Ca -0.00 -0.12 0.10 0.00 -2.04 0.00 0.00 64.05 62.00 3kch n THR 16 Cb 0.60 -2.00 -0.15 0.00 -1.82 0.00 0.00 70.33 66.97 3kch n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3kch n TYR 17 N -4.31 0.00 -2.52 -1.42 0.53 0.11 -4.99 117.16 104.57 3kch n TYR 17 Ca -0.33 0.00 -0.16 0.00 -1.02 0.00 0.00 57.90 56.39 3kch n TYR 17 Cb 0.73 -0.32 0.01 0.00 -1.03 0.00 0.00 39.34 38.73 3kch n TYR 17 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 3kch n HIS 18 N -1.99 -1.05 -3.67 -0.72 8.25 0.93 -4.99 115.22 111.99 3kch n HIS 18 Ca -0.01 0.16 -0.10 0.00 -0.26 0.00 0.00 57.72 57.51 3kch n HIS 18 Cb 0.48 -3.40 -0.03 0.00 1.12 0.00 0.00 29.99 28.15 3kch n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 3kch s LYS 19 N -5.04 1.34 0.56 -0.41 -2.85 -1.26 -5.04 119.74 107.05 3kch s LYS 19 Ca 0.10 -0.77 -0.18 0.00 -1.00 0.00 0.00 55.97 54.11 3kch s LYS 19 Cb -0.04 0.53 -0.05 0.00 -2.06 0.00 0.00 37.83 36.21 3kch s LYS 19 CO 0.12 -0.57 1.08 -0.51 0.10 0.00 0.00 175.35 175.57 3kch s LEU 20 N -2.84 3.64 1.03 2.77 1.43 -1.26 -4.07 118.68 119.36 3kch s LEU 20 Ca 0.07 1.98 -0.11 0.00 -1.03 0.00 0.00 54.13 55.04 3kch s LEU 20 Cb -0.01 -4.56 0.21 0.00 0.03 0.00 0.00 46.19 41.86 3kch s LEU 20 CO -0.05 -1.17 1.09 -2.84 0.23 0.00 0.00 176.35 173.61 3kch s PRO 21 N -3.65 0.14 0.30 1.29 0.02 -1.26 -4.87 135.00 126.97 3kch s PRO 21 Ca 0.68 1.23 0.23 0.00 0.02 0.00 0.00 61.00 63.16 3kch s PRO 21 Cb -0.19 -1.65 1.09 0.00 0.02 0.00 0.00 34.50 33.77 3kch s PRO 21 CO 0.31 -3.12 1.70 -0.25 -0.33 0.00 0.00 177.00 175.31 3kch n ASP 22 N -4.54 0.65 -0.53 2.53 10.43 -1.26 -2.65 116.55 121.18 3kch n ASP 22 Ca 0.08 0.72 0.03 0.00 2.57 0.00 0.00 54.79 58.18 3kch n ASP 22 Cb 0.53 -0.83 0.09 0.00 1.84 0.00 0.00 41.12 42.75 3kch n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3kch n ASN 23 N -2.28 1.46 -4.70 -2.24 6.94 -1.26 -4.82 115.26 108.36 3kch n ASN 23 Ca 0.00 -2.08 -0.35 0.00 -0.02 0.00 0.00 54.58 52.13 3kch n ASN 23 Cb 0.15 -0.27 -0.09 0.00 -2.36 0.00 0.00 39.78 37.20 3kch n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 3kch s TYR 24 N -1.65 3.21 0.03 -2.53 2.02 -1.08 -0.45 117.35 116.89 3kch s TYR 24 Ca 0.14 0.23 0.03 0.00 -0.37 0.00 0.00 57.07 57.09 3kch s TYR 24 Cb 0.08 -1.80 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 3kch s TYR 24 CO 0.07 0.50 -0.09 0.96 -1.57 0.00 0.00 175.55 175.43 3kch s ILE 25 N -0.90 0.64 0.93 2.71 -4.36 -0.19 -4.90 121.20 115.13 3kch s ILE 25 Ca 0.14 -0.85 -0.12 0.00 -0.26 0.00 0.00 60.65 59.56 3kch s ILE 25 Cb -0.11 -0.63 0.15 0.00 1.25 0.00 0.00 42.46 43.11 3kch s ILE 25 CO 0.03 -0.17 1.10 0.42 0.24 0.00 0.00 174.94 176.55 3kch s THR 26 N -0.94 2.44 0.20 8.37 -4.23 -1.18 -1.07 115.64 119.23 3kch s THR 26 Ca -0.04 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.49 3kch s THR 26 Cb -0.07 -2.66 0.12 0.00 1.34 0.00 0.00 72.50 71.22 3kch s THR 26 CO 0.00 -0.19 1.86 0.11 -0.54 0.00 0.00 174.62 175.86 3kch h LYS 27 N -1.64 0.84 -0.58 3.99 1.57 -1.96 -1.36 116.57 117.44 3kch h LYS 27 Ca -0.51 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.27 3kch h LYS 27 Cb 1.30 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 33.37 3kch h LYS 27 CO 0.56 0.56 0.30 0.77 -0.57 0.00 0.00 179.45 181.08 3kch h SER 28 N 0.87 0.44 -0.61 0.86 0.02 -1.99 0.19 113.55 113.34 3kch h SER 28 Ca 0.25 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.16 3kch h SER 28 Cb -0.07 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3kch h SER 28 CO -0.07 0.30 0.11 -0.33 -1.14 0.00 0.00 176.83 175.69 3kch h GLU 29 N 0.58 1.00 -0.46 3.45 5.08 -1.85 -2.52 114.58 119.85 3kch h GLU 29 Ca 0.26 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3kch h GLU 29 Cb 0.16 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3kch h GLU 29 CO -0.17 0.93 0.16 0.00 -1.00 0.00 0.00 179.01 178.94 3kch h ALA 30 N 1.02 0.60 -0.40 3.43 0.00 -0.48 -2.40 119.26 121.03 3kch h ALA 30 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kch h ALA 30 Cb 0.41 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3kch h ALA 30 CO 0.01 0.23 0.26 1.96 0.00 0.00 0.00 179.25 181.70 3kch h GLN 31 N 0.60 0.53 0.00 0.00 4.20 -0.54 -0.93 115.11 118.98 3kch h GLN 31 Ca 0.15 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 3kch h GLN 31 Cb 0.23 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 3kch h GLN 31 CO -0.01 0.36 -0.12 0.00 -0.67 0.00 0.00 178.83 178.39 3kch h ALA 32 N 1.74 1.03 -0.04 3.87 0.00 -0.99 -2.29 119.26 122.58 3kch h ALA 32 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kch h ALA 32 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kch h ALA 32 CO -0.03 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.66 3kch n LEU 33 N -3.29 1.68 0.00 0.00 4.77 -0.47 -4.91 117.00 114.78 3kch n LEU 33 Ca 0.00 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 3kch n LEU 33 Cb 0.36 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3kch n LEU 33 CO 0.31 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3kch n GLY 34 N 1.19 0.97 3.69 -0.72 0.00 -0.86 -4.86 105.19 104.60 3kch n GLY 34 Ca 0.18 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3kch n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kch s TRP 35 N -2.00 2.09 -0.32 1.61 -0.00 -0.54 -4.96 118.94 114.81 3kch s TRP 35 Ca 0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 56.10 56.11 3kch s TRP 35 Cb 0.00 -4.14 0.08 0.00 -0.00 0.00 0.00 33.47 29.41 3kch s TRP 35 CO 0.00 -4.73 0.02 0.08 -0.00 0.00 0.00 176.95 172.33 3kch s VAL 36 N 2.97 2.54 0.27 5.86 1.01 -1.26 -4.51 120.40 127.28 3kch s VAL 36 Ca 0.80 -1.94 -0.00 0.00 0.00 0.00 0.00 61.98 60.84 3kch s VAL 36 Cb -0.44 -2.68 0.26 0.00 0.00 0.00 0.00 36.38 33.53 3kch s VAL 36 CO 0.36 -0.37 1.82 0.00 0.00 0.00 0.00 175.10 176.91 3kch h ALA 37 N 7.79 1.42 0.00 5.51 0.00 -1.99 0.50 119.26 132.49 3kch h ALA 37 Ca -0.13 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kch h ALA 37 Cb 1.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3kch h ALA 37 CO 0.54 0.16 0.00 0.43 0.00 0.00 0.00 179.25 180.37 3kch n SER 38 N -4.68 0.00 -0.13 0.00 7.64 -1.26 -1.80 113.62 113.39 3kch n SER 38 Ca 0.18 0.47 0.06 0.00 1.01 0.00 0.00 58.87 60.59 3kch n SER 38 Cb 0.35 -0.48 -0.04 0.00 -1.01 0.00 0.00 64.21 63.02 3kch n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3kch n LYS 39 N -1.48 2.39 -2.73 1.43 5.02 0.15 -5.01 118.16 117.92 3kch n LYS 39 Ca 0.03 -0.30 -0.20 0.00 -2.02 0.00 0.00 58.31 55.82 3kch n LYS 39 Cb 0.14 -1.14 0.02 0.00 -0.02 0.00 0.00 35.03 34.02 3kch n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kch n GLY 40 N 1.20 -0.43 1.56 0.72 0.00 -0.75 -4.91 105.19 102.57 3kch n GLY 40 Ca 0.04 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.14 3kch n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kch n ASN 41 N -2.00 5.09 -0.32 1.61 6.94 -1.25 -3.82 115.26 121.50 3kch n ASN 41 Ca -0.15 -2.91 0.03 0.00 -0.02 0.00 0.00 54.58 51.53 3kch n ASN 41 Cb 0.64 -0.63 0.17 0.00 -2.36 0.00 0.00 39.78 37.60 3kch n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3kch h LEU 42 N 3.33 0.83 -1.73 -4.53 5.85 -1.89 -1.16 115.31 116.01 3kch h LEU 42 Ca 0.00 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3kch h LEU 42 Cb 1.77 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 3kch h LEU 42 CO 0.39 0.50 -0.17 0.00 -0.34 0.00 0.00 178.44 178.81 3kch h ALA 43 N 1.45 1.38 -0.13 1.25 0.00 -1.82 0.28 119.26 121.68 3kch h ALA 43 Ca 0.41 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.93 3kch h ALA 43 Cb 0.29 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kch h ALA 43 CO -0.21 0.22 -0.83 -0.44 0.00 0.00 0.00 179.25 177.98 3kch h ASP 44 N 0.00 0.94 0.41 0.00 3.32 -1.57 -3.06 116.42 116.48 3kch h ASP 44 Ca -0.00 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.40 3kch h ASP 44 Cb 0.39 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3kch h ASP 44 CO 0.02 1.45 -1.07 1.33 -1.72 0.00 0.00 179.24 179.25 3kch n VAL 45 N -3.92 0.17 -2.98 -1.35 0.24 -0.97 -4.60 118.33 104.92 3kch n VAL 45 Ca -0.08 -0.25 -0.15 0.00 -2.04 0.00 0.00 64.34 61.81 3kch n VAL 45 Cb 0.77 0.21 -0.02 0.00 -1.47 0.00 0.00 33.84 33.34 3kch n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kch n ALA 46 N -1.85 0.39 -1.78 2.33 0.00 0.94 -4.96 120.51 115.59 3kch n ALA 46 Ca 0.02 -2.26 -0.41 0.00 0.00 0.00 0.00 53.44 50.79 3kch n ALA 46 Cb 0.44 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 3kch n ALA 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kch s PRO 47 N -0.02 4.14 0.00 0.00 0.04 -1.15 -2.07 135.00 135.93 3kch s PRO 47 Ca 0.33 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.90 3kch s PRO 47 Cb 0.16 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.71 3kch s PRO 47 CO -0.17 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.77 3kch n GLY 48 N 0.81 2.01 3.93 0.56 0.00 -1.26 -5.02 105.19 106.23 3kch n GLY 48 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 3kch n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kch s LYS 49 N -0.04 3.44 0.12 1.61 -0.14 -0.88 -4.81 119.74 119.03 3kch s LYS 49 Ca 0.00 -0.53 0.09 0.00 -1.36 0.00 0.00 55.97 54.16 3kch s LYS 49 Cb 0.00 -2.99 -0.04 0.00 -1.68 0.00 0.00 37.83 33.12 3kch s LYS 49 CO 0.00 0.56 -0.22 -1.12 -0.76 0.00 0.00 175.35 173.81 3kch s SER 50 N -2.93 2.74 0.11 2.83 0.01 0.40 -4.89 113.70 111.97 3kch s SER 50 Ca 0.35 -0.72 -0.31 0.00 1.31 0.00 0.00 55.95 56.57 3kch s SER 50 Cb -0.12 -0.16 -0.09 0.00 0.21 0.00 0.00 66.02 65.86 3kch s SER 50 CO 0.28 0.08 1.57 -0.63 0.41 0.00 0.00 173.24 174.95 3kch s ILE 51 N -1.24 2.96 -0.22 1.44 -1.09 -1.26 -1.02 121.20 120.77 3kch s ILE 51 Ca 0.09 0.57 -0.34 0.00 -2.23 0.00 0.00 60.65 58.75 3kch s ILE 51 Cb -0.10 -3.37 0.15 0.00 -1.58 0.00 0.00 42.46 37.57 3kch s ILE 51 CO 0.05 0.02 1.24 -0.83 -1.23 0.00 0.00 174.94 174.20 3kch s GLY 52 N 1.74 -0.19 0.00 6.18 0.00 -0.23 -0.08 107.32 114.75 3kch s GLY 52 Ca 0.71 1.98 0.00 0.00 0.00 0.00 0.00 44.72 47.41 3kch s GLY 52 CO 0.31 0.73 0.00 0.61 0.00 0.00 0.00 173.10 174.76 3kch n GLY 53 N 0.15 1.20 3.80 0.20 0.00 0.73 -3.09 105.19 108.17 3kch n GLY 53 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3kch n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kch s ASP 54 N -1.91 6.72 0.14 1.61 1.01 -1.23 -4.76 116.67 118.25 3kch s ASP 54 Ca 0.00 1.85 -0.33 0.00 0.71 0.00 0.00 52.55 54.78 3kch s ASP 54 Cb 0.00 -2.56 -0.13 0.00 1.01 0.00 0.00 42.92 41.24 3kch s ASP 54 CO 0.00 -0.52 1.68 -0.38 0.21 0.00 0.00 175.17 176.16 3kch n ILE 55 N -0.56 0.11 -3.62 0.77 2.08 -1.26 -1.08 119.36 115.80 3kch n ILE 55 Ca 0.07 -0.02 -0.38 0.00 0.56 0.00 0.00 62.75 62.98 3kch n ILE 55 Cb 0.52 -1.76 -0.11 0.00 -0.75 0.00 0.00 39.64 37.54 3kch n ILE 55 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 3kch s PHE 56 N 1.56 3.19 -0.17 1.39 5.36 0.39 -4.82 117.98 124.89 3kch s PHE 56 Ca 0.80 -0.05 0.29 0.00 -0.96 0.00 0.00 56.93 57.01 3kch s PHE 56 Cb -0.61 -2.36 0.94 0.00 -0.34 0.00 0.00 43.02 40.65 3kch s PHE 56 CO 0.38 -0.23 1.82 0.66 -1.46 0.00 0.00 175.22 176.39 3kch h SER 57 N 8.36 0.00 -5.82 6.13 4.64 -1.95 -3.41 113.55 121.50 3kch h SER 57 Ca -0.35 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.59 3kch h SER 57 Cb 1.18 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.40 3kch h SER 57 CO 0.57 0.00 -0.75 -3.20 -0.87 0.00 0.00 176.83 172.58 3kch n ASN 58 N -3.01 -3.41 -0.15 4.97 5.15 -1.26 -4.89 115.26 112.67 3kch n ASN 58 Ca 0.02 -0.64 -0.04 0.00 -0.60 0.00 0.00 54.58 53.32 3kch n ASN 58 Cb 0.39 -4.85 0.02 0.00 -0.53 0.00 0.00 39.78 34.81 3kch n ASN 58 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 3kch h ARG 59 N -2.15 -0.07 -0.41 1.20 2.43 -2.01 0.11 114.38 113.48 3kch h ARG 59 Ca -0.59 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 3kch h ARG 59 Cb 1.35 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 3kch h ARG 59 CO 0.54 -0.04 0.00 0.39 -1.51 0.00 0.00 179.97 179.35 3kch n GLU 60 N -5.38 1.26 -4.31 0.20 1.02 -1.26 -4.86 120.64 107.31 3kch n GLU 60 Ca 0.04 -0.30 -0.38 0.00 -0.02 0.00 0.00 57.16 56.50 3kch n GLU 60 Cb 0.29 -1.25 -0.04 0.00 -0.02 0.00 0.00 31.44 30.41 3kch n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kch n GLY 61 N 0.41 -0.44 0.12 0.62 0.00 0.38 -4.81 105.19 101.48 3kch n GLY 61 Ca 0.03 0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 3kch n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kch h LYS 62 N -1.34 0.37 -6.75 1.61 1.57 -1.89 -3.45 116.57 106.69 3kch h LYS 62 Ca -0.59 -0.58 -0.49 0.00 -1.87 0.00 0.00 60.65 57.11 3kch h LYS 62 Cb 1.38 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.88 3kch h LYS 62 CO 0.81 1.26 0.21 -0.51 -0.57 0.00 0.00 179.45 180.66 3kch s LEU 63 N -7.36 4.26 -0.10 2.94 1.43 -1.26 -4.97 118.68 113.63 3kch s LEU 63 Ca -0.06 1.57 -0.33 0.00 -1.03 0.00 0.00 54.13 54.29 3kch s LEU 63 Cb 0.07 -3.89 -0.11 0.00 0.03 0.00 0.00 46.19 42.29 3kch s LEU 63 CO 0.90 -0.07 1.96 -0.81 0.23 0.00 0.00 176.35 178.55 3kch n PRO 64 N 0.39 2.20 -3.50 1.29 -0.04 -1.26 -4.95 135.00 129.13 3kch n PRO 64 Ca 0.01 0.78 -0.31 0.00 -0.04 0.00 0.00 63.50 63.95 3kch n PRO 64 Cb 0.51 -2.76 -0.04 0.00 -0.04 0.00 0.00 33.50 31.17 3kch n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3kch s GLY 65 N 4.81 2.13 0.03 0.55 0.00 -1.26 -5.09 107.32 108.50 3kch s GLY 65 Ca 0.94 -0.47 -0.26 0.00 0.00 0.00 0.00 44.72 44.93 3kch s GLY 65 CO 0.48 -0.37 0.59 1.25 0.00 0.00 0.00 173.10 175.06 3kch s LYS 66 N -2.98 1.09 0.06 2.90 2.20 -1.26 -5.07 119.74 116.67 3kch s LYS 66 Ca 0.44 -0.10 -0.33 0.00 -0.36 0.00 0.00 55.97 55.62 3kch s LYS 66 Cb -0.11 0.50 -0.12 0.00 -1.51 0.00 0.00 37.83 36.59 3kch s LYS 66 CO 0.25 -0.39 1.75 0.45 -0.36 0.00 0.00 175.35 177.05 3kch n SER 67 N 0.45 3.43 0.00 1.43 2.88 -1.26 -1.28 113.62 119.27 3kch n SER 67 Ca -0.18 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 3kch n SER 67 Cb 0.60 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 3kch n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kch n GLY 68 N 3.97 1.26 3.66 0.46 0.00 -1.26 -5.01 105.19 108.27 3kch n GLY 68 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3kch n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kch s ARG 69 N -0.25 4.18 -0.13 1.61 3.52 -0.40 -4.94 118.95 122.53 3kch s ARG 69 Ca 0.00 0.31 -0.03 0.00 -0.13 0.00 0.00 55.73 55.88 3kch s ARG 69 Cb 0.00 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 3kch s ARG 69 CO 0.00 -0.11 -0.02 0.99 -0.81 0.00 0.00 175.30 175.36 3kch s THR 70 N 1.51 4.10 -0.17 4.11 2.01 -1.26 -4.70 115.64 121.25 3kch s THR 70 Ca 0.22 -0.30 -0.07 0.00 0.31 0.00 0.00 61.69 61.84 3kch s THR 70 Cb -0.15 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 3kch s THR 70 CO 0.09 0.53 0.08 0.26 -0.69 0.00 0.00 174.62 174.89 3kch s TRP 71 N -0.09 3.32 0.30 4.92 0.52 -1.26 -0.37 118.94 126.28 3kch s TRP 71 Ca 0.03 0.19 0.09 0.00 0.02 0.00 0.00 56.10 56.43 3kch s TRP 71 Cb -0.13 -2.05 -0.06 0.00 -1.15 0.00 0.00 33.47 30.09 3kch s TRP 71 CO 0.02 0.28 -0.11 1.03 0.02 0.00 0.00 176.95 178.19 3kch s ARG 72 N 0.07 1.68 0.22 4.98 0.52 -0.05 -0.46 118.95 125.92 3kch s ARG 72 Ca 0.06 -1.83 0.09 0.00 -0.52 0.00 0.00 55.73 53.53 3kch s ARG 72 Cb -0.12 -1.53 -0.05 0.00 0.52 0.00 0.00 34.95 33.77 3kch s ARG 72 CO 0.00 0.16 -0.16 -1.83 0.02 0.00 0.00 175.30 173.49 3kch s GLU 73 N -3.62 1.43 -0.06 3.54 -1.05 -0.24 -1.03 118.70 117.67 3kch s GLU 73 Ca 0.30 -1.63 -0.12 0.00 -0.15 0.00 0.00 54.97 53.37 3kch s GLU 73 Cb 0.01 -1.32 0.02 0.00 -0.44 0.00 0.00 34.13 32.40 3kch s GLU 73 CO 0.14 0.23 0.29 0.00 0.95 0.00 0.00 175.26 176.87 3kch s ALA 74 N -2.78 -0.71 0.35 -0.84 0.00 -0.44 -0.20 121.76 117.14 3kch s ALA 74 Ca 0.24 0.52 -0.27 0.00 0.00 0.00 0.00 51.96 52.45 3kch s ALA 74 Cb -0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 23.12 22.82 3kch s ALA 74 CO 0.09 -0.20 1.15 -0.51 0.00 0.00 0.00 175.76 176.30 3kch s ASP 75 N -0.64 6.83 0.06 0.00 1.11 0.89 -0.96 116.67 123.96 3kch s ASP 75 Ca -0.07 2.34 0.09 0.00 0.18 0.00 0.00 52.55 55.09 3kch s ASP 75 Cb -0.04 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.30 3kch s ASP 75 CO 0.02 -0.46 -0.25 -0.63 1.18 0.00 0.00 175.17 175.03 3kch s ILE 76 N -1.32 2.25 -0.87 0.77 -1.09 -0.83 -4.73 121.20 115.38 3kch s ILE 76 Ca 0.52 -1.42 0.00 0.00 -2.23 0.00 0.00 60.65 57.51 3kch s ILE 76 Cb -0.32 -1.91 0.00 0.00 -1.58 0.00 0.00 42.46 38.66 3kch s ILE 76 CO 0.40 0.32 0.00 0.59 -1.23 0.00 0.00 174.94 175.02 3kch n ASN 77 N 1.60 -4.64 -4.76 3.58 3.02 0.29 -4.60 115.26 109.76 3kch n ASN 77 Ca -0.17 0.20 -0.39 0.00 -0.03 0.00 0.00 54.58 54.19 3kch n ASN 77 Cb 0.52 -2.86 -0.05 0.00 -0.61 0.00 0.00 39.78 36.78 3kch n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3kch s TYR 78 N -2.09 3.76 0.00 3.10 5.04 -1.26 -4.93 117.35 120.97 3kch s TYR 78 Ca 0.00 1.42 0.00 0.00 -2.44 0.00 0.00 57.07 56.05 3kch s TYR 78 Cb 0.00 -2.73 0.00 0.00 0.35 0.00 0.00 41.96 39.58 3kch s TYR 78 CO 0.00 0.36 0.00 0.25 -1.34 0.00 0.00 175.55 174.82 3kch n THR 79 N 2.46 0.00 -3.66 4.34 -2.24 -1.26 -4.94 114.28 108.98 3kch n THR 79 Ca -0.05 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.65 3kch n THR 79 Cb 0.50 -0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 3kch n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kch s SER 80 N -4.12 -0.34 0.00 3.42 1.04 -1.26 -4.79 113.70 107.65 3kch s SER 80 Ca 0.00 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3kch s SER 80 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3kch s SER 80 CO 0.00 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.80 3kch n GLY 81 N -0.41 -1.36 3.73 7.32 0.00 -1.25 -4.86 105.19 108.36 3kch n GLY 81 Ca -0.09 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 3kch n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kch s PHE 82 N 0.00 2.18 0.59 1.61 0.08 -1.26 -4.54 117.98 116.64 3kch s PHE 82 Ca 0.00 1.58 -0.20 0.00 0.12 0.00 0.00 56.93 58.44 3kch s PHE 82 Cb 0.00 -3.43 -0.03 0.00 -0.57 0.00 0.00 43.02 38.99 3kch s PHE 82 CO 0.00 -2.42 1.29 1.03 -0.10 0.00 0.00 175.22 175.02 3kch s ARG 83 N -3.87 2.89 0.00 0.44 0.52 -1.26 -5.00 118.95 112.67 3kch s ARG 83 Ca 0.74 2.06 0.00 0.00 -0.52 0.00 0.00 55.73 58.01 3kch s ARG 83 Cb -0.28 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.16 3kch s ARG 83 CO 0.43 -1.34 0.00 0.27 0.02 0.00 0.00 175.30 174.69 3kch n ASN 84 N -1.48 0.00 -0.89 0.23 0.23 -1.26 -5.02 115.26 107.06 3kch n ASN 84 Ca 0.13 -0.39 0.08 0.00 -0.53 0.00 0.00 54.58 53.86 3kch n ASN 84 Cb 0.47 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.39 3kch n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3kch n SER 85 N -1.18 3.35 -4.68 0.53 3.41 -1.26 -4.98 113.62 108.80 3kch n SER 85 Ca 0.00 -2.07 -0.37 0.00 -0.26 0.00 0.00 58.87 56.16 3kch n SER 85 Cb 0.00 -0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 63.54 3kch n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3kch s ASP 86 N -1.04 6.36 -0.01 4.04 1.01 -1.26 -2.88 116.67 122.89 3kch s ASP 86 Ca 0.32 0.42 -0.02 0.00 0.71 0.00 0.00 52.55 53.98 3kch s ASP 86 Cb 0.18 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.92 3kch s ASP 86 CO 0.21 0.00 0.05 -0.13 0.21 0.00 0.00 175.17 175.51 3kch s ARG 87 N 1.02 0.16 -0.10 8.23 1.81 -0.28 -1.97 118.95 127.83 3kch s ARG 87 Ca 0.16 -0.11 -0.12 0.00 -1.72 0.00 0.00 55.73 53.94 3kch s ARG 87 Cb -0.14 0.07 -0.05 0.00 -0.45 0.00 0.00 34.95 34.38 3kch s ARG 87 CO 0.06 -0.03 0.27 -1.50 -0.68 0.00 0.00 175.30 173.42 3kch s ILE 88 N -0.42 5.29 -0.16 1.52 2.07 -0.13 -1.19 121.20 128.17 3kch s ILE 88 Ca -0.05 0.52 -0.01 0.00 -1.41 0.00 0.00 60.65 59.70 3kch s ILE 88 Cb -0.03 -3.58 -0.01 0.00 0.13 0.00 0.00 42.46 38.97 3kch s ILE 88 CO 0.00 0.52 -0.11 -0.76 -1.91 0.00 0.00 174.94 172.68 3kch s LEU 89 N -0.45 2.71 -0.02 8.50 2.01 0.77 -1.33 118.68 130.87 3kch s LEU 89 Ca 0.18 -0.38 0.02 0.00 0.01 0.00 0.00 54.13 53.96 3kch s LEU 89 Cb -0.14 -1.64 0.00 0.00 0.01 0.00 0.00 46.19 44.43 3kch s LEU 89 CO 0.06 0.09 -0.08 -0.72 1.01 0.00 0.00 176.35 176.71 3kch s TYR 90 N 0.79 0.87 0.48 0.29 1.13 -0.19 -0.19 117.35 120.53 3kch s TYR 90 Ca -0.04 -0.20 0.02 0.00 -1.41 0.00 0.00 57.07 55.44 3kch s TYR 90 Cb -0.15 -0.61 0.02 0.00 -1.10 0.00 0.00 41.96 40.11 3kch s TYR 90 CO 0.01 -0.08 0.69 -1.54 -2.51 0.00 0.00 175.55 172.13 3kch s SER 91 N 0.11 5.56 0.61 -0.18 1.04 -0.53 -0.87 113.70 119.43 3kch s SER 91 Ca -0.02 0.02 0.39 0.00 0.48 0.00 0.00 55.95 56.82 3kch s SER 91 Cb -0.07 -1.09 1.91 0.00 0.10 0.00 0.00 66.02 66.87 3kch s SER 91 CO 0.00 -0.90 2.19 0.77 0.98 0.00 0.00 173.24 176.28 3kch h SER 92 N 0.31 0.00 -0.57 7.02 4.64 -1.06 -0.08 113.55 123.82 3kch h SER 92 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3kch h SER 92 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3kch h SER 92 CO 0.53 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.60 3kch n ASP 93 N -3.11 5.18 -1.84 4.97 5.75 -1.26 -4.95 116.55 121.27 3kch n ASP 93 Ca -0.01 -2.75 -0.13 0.00 -0.01 0.00 0.00 54.79 51.89 3kch n ASP 93 Cb 0.18 -0.63 0.02 0.00 -1.03 0.00 0.00 41.12 39.67 3kch n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3kch n TRP 94 N 0.70 -1.13 -2.30 2.11 7.02 -0.04 -5.02 117.44 118.78 3kch n TRP 94 Ca 0.26 0.29 -0.42 0.00 -1.02 0.00 0.00 57.50 56.62 3kch n TRP 94 Cb 1.05 -3.05 -0.03 0.00 -2.42 0.00 0.00 31.31 26.86 3kch n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 3kch s LEU 95 N -4.09 4.40 -0.16 -0.99 1.43 -1.26 -4.88 118.68 113.12 3kch s LEU 95 Ca 0.17 2.23 0.01 0.00 -1.03 0.00 0.00 54.13 55.51 3kch s LEU 95 Cb -0.07 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.57 3kch s LEU 95 CO 0.21 -0.51 -0.19 -0.63 0.23 0.00 0.00 176.35 175.46 3kch s ILE 96 N 0.62 1.94 0.26 -0.59 -1.09 -1.26 -1.45 121.20 119.63 3kch s ILE 96 Ca 0.59 -0.87 0.11 0.00 -2.23 0.00 0.00 60.65 58.24 3kch s ILE 96 Cb -0.34 -1.75 -0.05 0.00 -1.58 0.00 0.00 42.46 38.74 3kch s ILE 96 CO 0.33 0.52 -0.13 -0.31 -1.23 0.00 0.00 174.94 174.12 3kch s TYR 97 N 1.22 2.45 0.11 3.97 1.51 0.73 -0.67 117.35 126.67 3kch s TYR 97 Ca 0.02 -0.29 0.07 0.00 -1.01 0.00 0.00 57.07 55.86 3kch s TYR 97 Cb -0.14 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 3kch s TYR 97 CO -0.10 0.66 -0.18 -1.59 -1.11 0.00 0.00 175.55 173.24 3kch s LYS 98 N -3.47 1.08 0.01 -0.62 -2.85 0.76 -0.16 119.74 114.48 3kch s LYS 98 Ca 0.30 -1.19 0.03 0.00 -1.00 0.00 0.00 55.97 54.11 3kch s LYS 98 Cb -0.06 -1.17 -0.01 0.00 -2.06 0.00 0.00 37.83 34.53 3kch s LYS 98 CO 0.16 0.25 -0.11 -0.08 0.10 0.00 0.00 175.35 175.68 3kch s THR 99 N -1.58 0.83 -0.11 3.79 -1.32 -0.33 -1.68 115.64 115.23 3kch s THR 99 Ca 0.07 -0.67 0.08 0.00 -1.21 0.00 0.00 61.69 59.96 3kch s THR 99 Cb -0.08 -0.74 0.14 0.00 -1.51 0.00 0.00 72.50 70.31 3kch s THR 99 CO 0.04 0.07 1.08 0.35 -2.21 0.00 0.00 174.62 173.95 3kch n THR 100 N 2.38 1.34 -2.59 5.08 -2.24 -1.26 -1.12 114.28 115.87 3kch n THR 100 Ca -0.16 -1.45 -0.05 0.00 -2.27 0.00 0.00 64.05 60.12 3kch n THR 100 Cb 0.56 0.23 0.04 0.00 -2.10 0.00 0.00 70.33 69.06 3kch n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kch n ASP 101 N -0.74 2.33 -3.38 3.42 5.75 -1.20 -4.61 116.55 118.11 3kch n ASP 101 Ca 0.07 -2.48 -0.17 0.00 -0.01 0.00 0.00 54.79 52.20 3kch n ASP 101 Cb 0.41 -0.43 0.09 0.00 -1.03 0.00 0.00 41.12 40.16 3kch n ASP 101 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3kch n HIS 102 N -0.56 -2.18 -1.17 2.11 8.25 -1.14 -2.96 115.22 117.57 3kch n HIS 102 Ca 0.16 0.92 -0.06 0.00 -0.26 0.00 0.00 57.72 58.49 3kch n HIS 102 Cb 0.86 -5.01 -0.02 0.00 1.12 0.00 0.00 29.99 26.94 3kch n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3kch n TYR 103 N -4.12 0.00 0.02 4.41 4.01 -1.26 -4.87 117.16 115.35 3kch n TYR 103 Ca -0.26 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.29 3kch n TYR 103 Cb 0.66 -1.48 -0.14 0.00 -0.31 0.00 0.00 39.34 38.07 3kch n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3kch h GLN 104 N 0.21 0.22 -5.50 -0.72 4.20 -1.95 -3.47 115.11 108.10 3kch h GLN 104 Ca -0.12 -0.38 -0.45 0.00 0.06 0.00 0.00 58.65 57.76 3kch h GLN 104 Cb 0.55 0.14 -0.23 0.00 0.30 0.00 0.00 27.48 28.25 3kch h GLN 104 CO 0.17 1.18 -0.79 0.95 -0.67 0.00 0.00 178.83 179.67 3kch s THR 105 N -2.38 1.23 -0.00 -0.54 -4.23 -1.26 -5.11 115.64 103.35 3kch s THR 105 Ca -0.16 -1.26 0.06 0.00 -1.18 0.00 0.00 61.69 59.15 3kch s THR 105 Cb 0.00 -1.15 -0.02 0.00 1.34 0.00 0.00 72.50 72.68 3kch s THR 105 CO 0.79 -0.12 -0.18 -0.36 -0.54 0.00 0.00 174.62 174.21 3kch s PHE 106 N -1.12 1.62 0.07 3.99 0.08 -1.26 -4.34 117.98 117.02 3kch s PHE 106 Ca 0.01 -0.32 0.04 0.00 0.12 0.00 0.00 56.93 56.78 3kch s PHE 106 Cb -0.09 -1.03 -0.03 0.00 -0.57 0.00 0.00 43.02 41.30 3kch s PHE 106 CO 0.02 -0.01 -0.12 0.95 -0.10 0.00 0.00 175.22 175.97 3kch s THR 107 N -0.49 0.95 0.17 0.64 -4.23 -0.68 -4.94 115.64 107.05 3kch s THR 107 Ca 0.07 -1.36 -0.30 0.00 -1.18 0.00 0.00 61.69 58.91 3kch s THR 107 Cb -0.07 -1.06 -0.08 0.00 1.34 0.00 0.00 72.50 72.62 3kch s THR 107 CO -0.00 -0.36 1.26 -0.75 -0.54 0.00 0.00 174.62 174.22 3kch s LYS 108 N -2.03 4.43 0.00 3.99 2.20 -1.26 -0.17 119.74 126.90 3kch s LYS 108 Ca -0.01 1.94 0.00 0.00 -0.36 0.00 0.00 55.97 57.54 3kch s LYS 108 Cb -0.08 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 3kch s LYS 108 CO 0.01 -0.20 0.00 0.44 -0.36 0.00 0.00 175.35 175.24 3kch n ILE 109 N 2.87 0.00 -1.13 5.43 -5.35 0.16 -4.88 119.36 116.45 3kch n ILE 109 Ca 0.06 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3kch n ILE 109 Cb 0.44 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 3kch n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33