#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjj s ILE 3 N 0.00 4.80 -0.12 0.53 1.01 -1.26 -4.46 121.20 121.70 3kjj s ILE 3 Ca 0.00 1.61 -0.03 0.00 0.00 0.00 0.00 60.65 62.23 3kjj s ILE 3 Cb 0.00 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 3kjj s ILE 3 CO 0.00 0.33 -0.01 -0.13 0.00 0.00 0.00 174.94 175.13 3kjj s ARG 4 N 0.15 3.31 -0.11 2.79 1.81 0.71 -4.97 118.95 122.65 3kjj s ARG 4 Ca 0.39 -0.45 0.01 0.00 -1.72 0.00 0.00 55.73 53.96 3kjj s ARG 4 Cb -0.20 -2.87 -0.02 0.00 -0.45 0.00 0.00 34.95 31.42 3kjj s ARG 4 CO 0.22 0.50 -0.14 0.71 -0.68 0.00 0.00 175.30 175.91 3kjj s TYR 5 N -0.31 2.77 -0.02 -0.53 2.02 -1.26 -0.86 117.35 119.15 3kjj s TYR 5 Ca 0.06 -0.54 0.06 0.00 -0.37 0.00 0.00 57.07 56.28 3kjj s TYR 5 Cb -0.12 -1.78 -0.01 0.00 -0.40 0.00 0.00 41.96 39.64 3kjj s TYR 5 CO 0.02 -0.12 -0.20 -0.06 -1.57 0.00 0.00 175.55 173.62 3kjj s PHE 6 N 0.08 1.78 -1.42 2.71 0.08 0.78 -4.77 117.98 117.22 3kjj s PHE 6 Ca -0.06 -0.35 -0.10 0.00 0.12 0.00 0.00 56.93 56.54 3kjj s PHE 6 Cb -0.15 -1.15 0.04 0.00 -0.57 0.00 0.00 43.02 41.19 3kjj s PHE 6 CO 0.05 -0.04 1.08 0.41 -0.10 0.00 0.00 175.22 176.61 3kjj n GLY 7 N 2.64 -0.51 3.71 4.36 0.00 -1.26 -0.49 105.19 113.64 3kjj n GLY 7 Ca -0.15 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3kjj n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kjj s THR 8 N -3.33 3.11 0.43 2.61 2.01 -1.26 -2.36 115.64 116.85 3kjj s THR 8 Ca 0.57 0.78 0.05 0.00 0.31 0.00 0.00 61.69 63.40 3kjj s THR 8 Cb -0.27 -3.50 -0.06 0.00 0.01 0.00 0.00 72.50 68.68 3kjj s THR 8 CO 0.77 0.06 0.01 0.42 -0.69 0.00 0.00 174.62 175.19 3kjj s THR 9 N 1.24 1.67 0.65 -0.82 -4.23 0.12 -4.97 115.64 109.30 3kjj s THR 9 Ca 0.67 -2.00 0.42 0.00 -1.18 0.00 0.00 61.69 59.59 3kjj s THR 9 Cb -0.39 -2.74 0.43 0.00 1.34 0.00 0.00 72.50 71.14 3kjj s THR 9 CO 0.30 0.00 2.35 -0.65 -0.54 0.00 0.00 174.62 176.09 3kjj h PRO 10 N 1.69 0.00 0.00 3.99 0.11 -2.05 -3.27 132.00 132.47 3kjj h PRO 10 Ca -0.43 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.29 3kjj h PRO 10 Cb 1.26 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.31 3kjj h PRO 10 CO 0.78 0.00 -2.41 -2.13 -0.21 0.00 0.00 178.00 174.03 3kjj n ARG 11 N -3.23 0.59 -3.81 1.05 0.63 -1.26 -5.07 116.66 105.56 3kjj n ARG 11 Ca -0.03 0.17 -0.10 0.00 -0.92 0.00 0.00 57.85 56.98 3kjj n ARG 11 Cb 0.07 -1.47 -0.06 0.00 0.45 0.00 0.00 32.46 31.46 3kjj n ARG 11 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 3kjj s TYR 12 N -2.48 0.08 -0.08 -0.14 -0.85 -1.23 -5.16 117.35 107.49 3kjj s TYR 12 Ca -0.34 -0.44 -0.02 0.00 -0.52 0.00 0.00 57.07 55.75 3kjj s TYR 12 Cb 0.10 0.14 -0.03 0.00 0.38 0.00 0.00 41.96 42.55 3kjj s TYR 12 CO 0.53 -0.75 0.00 -1.12 -1.52 0.00 0.00 175.55 172.69 3kjj s SER 13 N -2.89 5.24 0.34 -0.18 0.01 -1.26 0.14 113.70 115.10 3kjj s SER 13 Ca 0.10 0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.53 3kjj s SER 13 Cb 0.02 -1.47 0.62 0.00 0.21 0.00 0.00 66.02 65.40 3kjj s SER 13 CO -0.05 0.37 1.94 -0.33 0.41 0.00 0.00 173.24 175.58 3kjj h GLU 14 N 5.10 0.68 -3.34 12.44 4.39 -0.39 -3.38 114.58 130.08 3kjj h GLU 14 Ca -0.51 -0.09 -0.17 0.00 0.34 0.00 0.00 59.36 58.93 3kjj h GLU 14 Cb 1.19 -0.13 -0.25 0.00 -0.10 0.00 0.00 28.75 29.47 3kjj h GLU 14 CO 0.54 0.56 -0.49 0.00 -1.16 0.00 0.00 179.01 178.46 3kjj s ALA 15 N -5.34 -0.43 -0.04 3.43 0.00 -0.65 -1.17 121.76 117.56 3kjj s ALA 15 Ca -0.09 0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.25 3kjj s ALA 15 Cb 0.16 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.10 3kjj s ALA 15 CO 0.77 -0.12 -0.11 0.08 0.00 0.00 0.00 175.76 176.37 3kjj s VAL 16 N -0.32 1.00 -0.02 0.00 1.01 -0.12 -0.15 120.40 121.79 3kjj s VAL 16 Ca -0.04 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.54 3kjj s VAL 16 Cb -0.03 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 3kjj s VAL 16 CO 0.01 0.31 -0.21 -0.83 0.00 0.00 0.00 175.10 174.38 3kjj s GLY 17 N 0.31 1.04 -0.21 4.51 0.00 -0.04 -0.41 107.32 112.53 3kjj s GLY 17 Ca -0.06 -0.89 -0.17 0.00 0.00 0.00 0.00 44.72 43.60 3kjj s GLY 17 CO 0.02 -0.68 0.54 0.00 0.00 0.00 0.00 173.10 172.97 3kjj s ALA 18 N -0.38 -1.35 -1.73 3.20 0.00 -0.61 -0.21 121.76 120.68 3kjj s ALA 18 Ca 0.05 1.62 -0.18 0.00 0.00 0.00 0.00 51.96 53.45 3kjj s ALA 18 Cb -0.09 -0.95 0.16 0.00 0.00 0.00 0.00 23.12 22.24 3kjj s ALA 18 CO 0.00 -0.27 0.65 -1.71 0.00 0.00 0.00 175.76 174.43 3kjj n ASN 19 N 3.18 -2.32 0.00 0.00 4.05 -1.26 -0.62 115.26 118.29 3kjj n ASN 19 Ca -0.16 -1.11 0.00 0.00 0.45 0.00 0.00 54.58 53.77 3kjj n ASN 19 Cb 0.56 -2.32 0.00 0.00 1.23 0.00 0.00 39.78 39.25 3kjj n ASN 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3kjj n GLY 20 N -1.42 0.40 3.80 8.20 0.00 -1.26 -5.02 105.19 109.89 3kjj n GLY 20 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 3kjj n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kjj s LEU 21 N 0.00 3.82 -0.07 0.99 1.43 0.21 -2.01 118.68 123.05 3kjj s LEU 21 Ca 0.00 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3kjj s LEU 21 Cb 0.00 -2.44 0.03 0.00 0.03 0.00 0.00 46.19 43.80 3kjj s LEU 21 CO 0.00 0.09 -0.01 -0.63 0.23 0.00 0.00 176.35 176.04 3kjj s ILE 22 N -1.67 0.41 -0.22 -0.59 1.01 0.15 -1.57 121.20 118.73 3kjj s ILE 22 Ca 0.31 0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.98 3kjj s ILE 22 Cb -0.11 -0.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.79 3kjj s ILE 22 CO 0.23 0.26 0.02 -0.36 0.00 0.00 0.00 174.94 175.09 3kjj s PHE 23 N 1.84 3.04 0.18 3.97 0.08 0.46 -0.46 117.98 127.09 3kjj s PHE 23 Ca 0.03 -0.54 -0.06 0.00 0.12 0.00 0.00 56.93 56.49 3kjj s PHE 23 Cb -0.12 -2.15 -0.06 0.00 -0.57 0.00 0.00 43.02 40.12 3kjj s PHE 23 CO -0.05 -0.34 0.43 -0.51 -0.10 0.00 0.00 175.22 174.65 3kjj s LEU 24 N 1.33 4.23 0.98 -0.37 1.43 -0.42 -0.95 118.68 124.90 3kjj s LEU 24 Ca 0.04 0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 3kjj s LEU 24 Cb -0.15 -3.41 0.18 0.00 0.03 0.00 0.00 46.19 42.85 3kjj s LEU 24 CO 0.01 -0.00 1.10 -0.44 0.23 0.00 0.00 176.35 177.25 3kjj s SER 25 N -2.52 2.50 0.01 2.29 0.01 -0.32 -4.31 113.70 111.36 3kjj s SER 25 Ca 0.43 1.86 0.00 0.00 1.31 0.00 0.00 55.95 59.54 3kjj s SER 25 Cb -0.12 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3kjj s SER 25 CO 0.25 -3.31 0.00 0.61 0.41 0.00 0.00 173.24 171.19 3kjj n GLY 26 N 0.10 -3.38 0.00 3.44 0.00 -1.26 -4.55 105.19 99.54 3kjj n GLY 26 Ca 0.08 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3kjj n GLY 26 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kjj n VAL 28 N -0.99 0.00 -2.26 1.61 0.24 -1.26 -4.90 118.33 110.77 3kjj n VAL 28 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.91 3kjj n VAL 28 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 3kjj n VAL 28 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3kjj s PRO 29 N -2.00 4.13 -0.01 7.34 0.04 -1.26 -4.77 135.00 138.46 3kjj s PRO 29 Ca 0.00 1.92 0.10 0.00 0.04 0.00 0.00 61.00 63.07 3kjj s PRO 29 Cb 0.00 -2.77 -0.15 0.00 0.04 0.00 0.00 34.50 31.61 3kjj s PRO 29 CO 0.00 -0.28 0.28 0.39 0.04 0.00 0.00 177.00 177.43 3kjj n GLU 30 N 0.26 1.08 -3.96 4.56 1.02 -1.26 -5.02 120.64 117.31 3kjj n GLU 30 Ca 0.03 -0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.01 3kjj n GLU 30 Cb 0.45 -1.19 -0.10 0.00 -0.02 0.00 0.00 31.44 30.58 3kjj n GLU 30 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3kjj s ASN 31 N -2.93 0.22 0.00 1.62 0.01 -1.26 -5.15 114.94 107.45 3kjj s ASN 31 Ca -0.02 -0.50 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 3kjj s ASN 31 Cb 0.07 0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.88 3kjj s ASN 31 CO 0.43 -0.37 0.00 0.61 -1.51 0.00 0.00 177.10 176.26 3kjj n GLY 32 N 1.30 2.33 0.63 0.66 0.00 -1.26 -4.35 105.19 104.50 3kjj n GLY 32 Ca -0.22 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 43.87 3kjj n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kjj n GLU 33 N 1.69 0.22 -1.86 1.61 -0.58 -1.26 -4.77 120.64 115.68 3kjj n GLU 33 Ca 0.00 0.09 -0.30 0.00 -0.42 0.00 0.00 57.16 56.53 3kjj n GLU 33 Cb 0.00 -0.89 0.06 0.00 -0.57 0.00 0.00 31.44 30.04 3kjj n GLU 33 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3kjj s THR 34 N -2.19 3.13 0.13 2.62 -4.23 -1.26 -4.85 115.64 108.98 3kjj s THR 34 Ca -0.14 0.37 -0.19 0.00 -1.18 0.00 0.00 61.69 60.55 3kjj s THR 34 Cb 0.05 -3.35 -0.05 0.00 1.34 0.00 0.00 72.50 70.50 3kjj s THR 34 CO 0.18 -0.48 1.77 0.00 -0.54 0.00 0.00 174.62 175.56 3kjj h ALA 35 N -0.78 0.29 -0.27 3.99 0.00 -1.96 0.07 119.26 120.61 3kjj h ALA 35 Ca -0.45 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.47 3kjj h ALA 35 Cb 1.27 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3kjj h ALA 35 CO 0.64 -0.27 0.14 0.00 0.00 0.00 0.00 179.25 179.76 3kjj h ALA 36 N 1.11 0.33 -0.69 0.00 0.00 -1.95 0.12 119.26 118.18 3kjj h ALA 36 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kjj h ALA 36 Cb 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3kjj h ALA 36 CO -0.05 -0.25 0.44 0.93 0.00 0.00 0.00 179.25 180.31 3kjj h GLU 37 N 0.29 0.92 -0.01 0.00 5.08 -1.88 -2.29 114.58 116.68 3kjj h GLU 37 Ca 0.11 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.19 3kjj h GLU 37 Cb 0.03 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 3kjj h GLU 37 CO -0.07 0.63 -0.87 1.96 -1.00 0.00 0.00 179.01 179.66 3kjj h GLN 38 N 0.94 0.32 -0.19 2.33 4.20 -0.71 -2.52 115.11 119.48 3kjj h GLN 38 Ca 0.25 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3kjj h GLN 38 Cb -0.07 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3kjj h GLN 38 CO -0.05 1.01 0.09 1.15 -0.67 0.00 0.00 178.83 180.36 3kjj h THR 39 N 0.19 1.14 -0.54 -0.54 2.02 -0.65 0.20 112.91 114.73 3kjj h THR 39 Ca -0.06 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 66.75 3kjj h THR 39 Cb 1.49 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.92 3kjj h THR 39 CO 0.14 0.13 0.31 0.00 0.37 0.00 0.00 175.52 176.48 3kjj h ALA 40 N 0.95 0.69 -0.44 6.16 0.00 -1.41 0.27 119.26 125.48 3kjj h ALA 40 Ca 0.06 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3kjj h ALA 40 Cb 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3kjj h ALA 40 CO -0.01 0.02 0.26 0.22 0.00 0.00 0.00 179.25 179.74 3kjj h ASP 41 N 0.62 0.41 -0.45 0.00 3.58 -1.26 0.21 116.42 119.54 3kjj h ASP 41 Ca 0.22 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 3kjj h ASP 41 Cb 0.04 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 3kjj h ASP 41 CO -0.11 0.29 0.24 0.58 -2.88 0.00 0.00 179.24 177.37 3kjj h VAL 42 N 0.52 1.16 -0.08 2.25 2.07 -0.43 -2.22 116.25 119.52 3kjj h VAL 42 Ca 0.18 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 3kjj h VAL 42 Cb 0.02 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3kjj h VAL 42 CO -0.09 0.17 -0.32 -0.07 0.02 0.00 0.00 177.57 177.29 3kjj h LEU 43 N 0.58 0.15 -0.55 2.57 3.38 -0.64 -1.13 115.31 119.67 3kjj h LEU 43 Ca 0.16 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3kjj h LEU 43 Cb 0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3kjj h LEU 43 CO -0.03 0.46 -0.02 0.00 0.09 0.00 0.00 178.44 178.94 3kjj h ALA 44 N 1.55 0.74 -0.59 1.53 0.00 -0.78 -0.65 119.26 121.06 3kjj h ALA 44 Ca 0.02 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.64 3kjj h ALA 44 Cb 0.63 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3kjj h ALA 44 CO 0.05 0.59 0.38 1.96 0.00 0.00 0.00 179.25 182.22 3kjj h GLN 45 N 0.87 0.73 -0.24 0.00 4.20 -0.91 -1.14 115.11 118.61 3kjj h GLN 45 Ca 0.15 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3kjj h GLN 45 Cb 0.57 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3kjj h GLN 45 CO 0.03 0.48 0.16 0.82 -0.67 0.00 0.00 178.83 179.65 3kjj h ILE 46 N 0.75 1.06 -0.37 2.54 2.04 -0.99 -1.09 117.51 121.46 3kjj h ILE 46 Ca 0.23 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 66.03 3kjj h ILE 46 Cb -0.03 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 3kjj h ILE 46 CO -0.08 0.06 0.03 0.44 0.00 0.00 0.00 178.15 178.60 3kjj h ASP 47 N 0.32 -0.09 0.13 1.72 3.32 -0.92 0.90 116.42 121.79 3kjj h ASP 47 Ca 0.09 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3kjj h ASP 47 Cb -0.03 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3kjj h ASP 47 CO -0.02 -0.01 -0.20 -0.09 -1.72 0.00 0.00 179.24 177.20 3kjj h ARG 48 N 0.14 -0.38 -0.53 3.56 1.12 -0.81 -1.13 114.38 116.36 3kjj h ARG 48 Ca 0.18 0.03 -0.12 0.00 -1.11 0.00 0.00 59.98 58.95 3kjj h ARG 48 Cb 0.23 0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.26 3kjj h ARG 48 CO -0.27 -0.25 -0.15 -1.49 -3.11 0.00 0.00 179.97 174.70 3kjj h TRP 49 N -0.39 1.16 -0.50 2.20 4.06 -1.09 -2.61 115.95 118.78 3kjj h TRP 49 Ca 0.02 -0.25 0.05 0.00 2.06 0.00 0.00 58.89 60.76 3kjj h TRP 49 Cb 0.40 -0.28 -0.05 0.00 -1.00 0.00 0.00 29.16 28.24 3kjj h TRP 49 CO -0.19 1.09 0.24 -0.07 -3.56 0.00 0.00 178.44 175.95 3kjj h LEU 50 N 0.90 0.33 -0.76 -4.49 3.38 -0.73 -2.31 115.31 111.64 3kjj h LEU 50 Ca 0.13 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3kjj h LEU 50 Cb 0.72 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3kjj h LEU 50 CO 0.06 0.23 0.49 0.00 0.09 0.00 0.00 178.44 179.30 3kjj h ALA 51 N 1.28 0.98 0.00 1.53 0.00 -1.07 0.30 119.26 122.28 3kjj h ALA 51 Ca 0.22 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3kjj h ALA 51 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3kjj h ALA 51 CO -0.17 0.32 -0.37 1.49 0.00 0.00 0.00 179.25 180.52 3kjj h GLU 52 N 0.97 0.00 -0.01 0.00 4.81 -1.12 -2.08 114.58 117.15 3kjj h GLU 52 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3kjj h GLU 52 Cb -0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3kjj h GLU 52 CO -0.09 0.37 -0.08 0.00 -0.73 0.00 0.00 179.01 178.48 3kjj n GLY 54 N 1.22 0.85 0.59 0.00 0.00 -0.78 -4.81 105.19 102.26 3kjj n GLY 54 Ca 0.17 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 3kjj n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kjj n SER 55 N 1.35 0.39 -2.89 1.61 2.88 0.10 -1.24 113.62 115.82 3kjj n SER 55 Ca 0.00 -1.40 -0.07 0.00 -1.33 0.00 0.00 58.87 56.08 3kjj n SER 55 Cb 0.37 0.25 0.03 0.00 -0.75 0.00 0.00 64.21 64.10 3kjj n SER 55 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3kjj n ASP 56 N -2.39 -2.03 0.26 -3.46 5.68 -1.26 -3.21 116.55 110.14 3kjj n ASP 56 Ca 0.00 -2.31 0.13 0.00 -0.50 0.00 0.00 54.79 52.11 3kjj n ASP 56 Cb 0.11 3.36 0.73 0.00 -1.14 0.00 0.00 41.12 44.18 3kjj n ASP 56 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3kjj h LYS 57 N 0.00 0.00 -0.02 0.11 2.10 -1.94 -1.49 116.57 115.33 3kjj h LYS 57 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 3kjj h LYS 57 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3kjj h LYS 57 CO 0.39 0.12 0.00 0.00 -2.00 0.00 0.00 179.45 177.96 3kjj n ALA 58 N -2.28 2.61 -1.56 0.07 0.00 -1.26 -3.07 120.51 115.03 3kjj n ALA 58 Ca -0.02 -0.20 0.06 0.00 0.00 0.00 0.00 53.44 53.29 3kjj n ALA 58 Cb 0.24 -1.31 0.13 0.00 0.00 0.00 0.00 19.45 18.50 3kjj n ALA 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kjj n HIS 59 N -0.65 0.00 -2.70 0.00 8.25 -0.56 -4.97 115.22 114.58 3kjj n HIS 59 Ca 0.16 -0.96 -0.42 0.00 -0.26 0.00 0.00 57.72 56.25 3kjj n HIS 59 Cb 0.12 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 3kjj n HIS 59 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kjj s VAL 60 N -2.22 4.83 -0.14 1.59 1.01 -1.17 -1.88 120.40 122.41 3kjj s VAL 60 Ca 0.30 2.04 -0.19 0.00 0.00 0.00 0.00 61.98 64.13 3kjj s VAL 60 Cb 0.28 -4.30 -0.25 0.00 0.00 0.00 0.00 36.38 32.11 3kjj s VAL 60 CO -0.03 0.16 0.49 -0.07 0.00 0.00 0.00 175.10 175.65 3kjj h LEU 61 N 6.77 0.23 -7.50 3.92 3.38 -1.31 -3.39 115.31 117.42 3kjj h LEU 61 Ca -0.41 -0.79 -0.15 0.00 0.09 0.00 0.00 57.88 56.63 3kjj h LEU 61 Cb 1.22 -0.08 -0.24 0.00 0.09 0.00 0.00 40.66 41.66 3kjj h LEU 61 CO 0.75 1.51 -0.38 -0.62 0.09 0.00 0.00 178.44 179.79 3kjj s ASP 62 N -6.88 -0.23 -0.09 -0.43 2.15 -0.76 -0.49 116.67 109.95 3kjj s ASP 62 Ca -0.22 0.37 -0.04 0.00 0.43 0.00 0.00 52.55 53.09 3kjj s ASP 62 Cb 0.04 0.47 0.05 0.00 -0.30 0.00 0.00 42.92 43.17 3kjj s ASP 62 CO 0.71 -0.20 0.19 0.00 -0.17 0.00 0.00 175.17 175.70 3kjj s ALA 63 N -0.34 -0.33 -0.22 3.66 0.00 0.48 -1.23 121.76 123.79 3kjj s ALA 63 Ca -0.05 0.74 -0.06 0.00 0.00 0.00 0.00 51.96 52.59 3kjj s ALA 63 Cb -0.03 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 3kjj s ALA 63 CO 0.01 -0.39 0.02 0.08 0.00 0.00 0.00 175.76 175.49 3kjj s VAL 64 N 1.80 4.09 -0.23 0.00 1.01 -0.45 -1.92 120.40 124.69 3kjj s VAL 64 Ca -0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 3kjj s VAL 64 Cb -0.12 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 3kjj s VAL 64 CO -0.07 0.40 0.03 -0.63 0.00 0.00 0.00 175.10 174.84 3kjj s ILE 65 N 1.19 4.04 -0.19 2.22 1.01 -0.23 -0.32 121.20 128.90 3kjj s ILE 65 Ca 0.04 -0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.33 3kjj s ILE 65 Cb -0.14 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 3kjj s ILE 65 CO 0.02 0.37 0.10 -0.31 0.00 0.00 0.00 174.94 175.12 3kjj s TYR 66 N 1.48 3.32 -0.08 3.97 2.02 0.05 -1.50 117.35 126.60 3kjj s TYR 66 Ca 0.05 0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.97 3kjj s TYR 66 Cb -0.15 -2.12 -0.02 0.00 -0.40 0.00 0.00 41.96 39.27 3kjj s TYR 66 CO 0.02 0.21 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.55 3kjj s LEU 67 N 0.40 2.70 0.24 -1.29 1.43 -0.38 -1.37 118.68 120.41 3kjj s LEU 67 Ca 0.05 -0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 3kjj s LEU 67 Cb -0.12 -1.57 0.36 0.00 0.03 0.00 0.00 46.19 44.89 3kjj s LEU 67 CO -0.01 0.27 1.82 -0.09 0.23 0.00 0.00 176.35 178.58 3kjj h ARG 68 N 5.88 0.81 0.00 1.70 2.43 -1.27 -0.54 114.38 123.39 3kjj h ARG 68 Ca -0.38 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3kjj h ARG 68 Cb 1.18 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3kjj h ARG 68 CO 0.52 0.54 0.00 -3.47 -1.51 0.00 0.00 179.97 176.05 3kjj n ASP 69 N -4.71 0.38 0.00 -3.80 -0.08 -1.26 -4.52 116.55 102.56 3kjj n ASP 69 Ca 0.12 -0.29 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 3kjj n ASP 69 Cb 0.23 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.69 3kjj n ASP 69 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3kjj n GLY 71 N 0.94 0.00 1.18 0.27 0.00 -1.26 -4.39 105.19 101.93 3kjj n GLY 71 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3kjj n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kjj n ASP 72 N 0.00 3.40 0.03 1.61 10.43 -1.26 -4.55 116.55 126.20 3kjj n ASP 72 Ca 0.00 -2.39 -0.13 0.00 2.57 0.00 0.00 54.79 54.85 3kjj n ASP 72 Cb 0.00 -0.52 -0.08 0.00 1.84 0.00 0.00 41.12 42.36 3kjj n ASP 72 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 3kjj h TYR 73 N 2.47 -0.02 -0.65 1.24 3.20 -2.01 -3.22 116.97 117.98 3kjj h TYR 73 Ca 0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 3kjj h TYR 73 Cb 1.15 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 3kjj h TYR 73 CO 0.55 0.20 0.18 0.00 -1.64 0.00 0.00 178.16 177.45 3kjj h ALA 74 N 0.73 0.85 0.00 1.82 0.00 -1.99 -1.16 119.26 119.51 3kjj h ALA 74 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kjj h ALA 74 Cb 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kjj h ALA 74 CO 0.00 0.54 0.00 -1.91 0.00 0.00 0.00 179.25 177.89 3kjj n GLU 75 N -4.33 0.41 0.00 0.00 2.13 -1.22 -1.58 120.64 116.06 3kjj n GLU 75 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 3kjj n GLU 75 Cb 0.23 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 30.71 3kjj n GLU 75 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3kjj n ASN 77 N 0.44 0.00 -0.24 4.31 3.02 -0.44 -3.27 115.26 119.07 3kjj n ASN 77 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.60 3kjj n ASN 77 Cb 0.13 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.46 3kjj n ASN 77 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3kjj h GLY 78 N 0.00 0.92 1.07 7.41 0.00 -1.57 0.37 103.07 111.27 3kjj h GLY 78 Ca 0.00 0.02 -0.19 0.00 0.00 0.00 0.00 47.33 47.16 3kjj h GLY 78 CO 0.00 -0.22 -0.61 -2.08 0.00 0.00 0.00 176.54 173.63 3kjj h VAL 79 N 0.20 1.30 -0.13 4.60 2.07 -1.85 -3.11 116.25 119.33 3kjj h VAL 79 Ca 0.40 -1.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 3kjj h VAL 79 Cb 0.69 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 3kjj h VAL 79 CO -0.55 0.58 0.07 -0.25 0.02 0.00 0.00 177.57 177.44 3kjj h TRP 80 N 0.45 0.19 -0.90 1.57 2.91 -1.72 -2.73 115.95 115.72 3kjj h TRP 80 Ca -0.02 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.02 3kjj h TRP 80 Cb 1.23 -0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 29.77 3kjj h TRP 80 CO 0.09 0.22 0.59 -0.44 -1.03 0.00 0.00 178.44 177.87 3kjj h ASP 81 N 0.10 0.99 0.53 2.65 3.32 -0.37 -1.60 116.42 122.04 3kjj h ASP 81 Ca 0.05 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 3kjj h ASP 81 Cb 0.10 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3kjj h ASP 81 CO -0.01 0.69 -0.39 0.00 -1.72 0.00 0.00 179.24 177.81 3kjj h ALA 82 N 1.46 1.21 0.14 3.45 0.00 -1.47 -3.35 119.26 120.70 3kjj h ALA 82 Ca 0.35 -0.35 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 3kjj h ALA 82 Cb -0.03 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kjj h ALA 82 CO -0.10 0.49 -1.41 2.35 0.00 0.00 0.00 179.25 180.58 3kjj h TRP 83 N 0.00 0.55 -3.70 0.00 7.01 -0.99 -3.47 115.95 115.34 3kjj h TRP 83 Ca -0.00 -0.40 -0.57 0.00 2.11 0.00 0.00 58.89 60.03 3kjj h TRP 83 Cb 0.76 -0.02 0.15 0.00 -2.10 0.00 0.00 29.16 27.95 3kjj h TRP 83 CO 0.00 1.55 0.31 1.33 -2.79 0.00 0.00 178.44 178.84 3kjj n VAL 84 N -3.87 3.74 -2.60 2.65 0.24 -0.90 -4.95 118.33 112.64 3kjj n VAL 84 Ca -0.23 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.14 3kjj n VAL 84 Cb 0.94 -1.34 -0.02 0.00 -1.47 0.00 0.00 33.84 31.95 3kjj n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kjj s ALA 85 N -1.41 3.47 0.25 2.33 0.00 -1.26 -5.00 121.76 120.15 3kjj s ALA 85 Ca 0.74 -0.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 3kjj s ALA 85 Cb -0.43 -3.70 -0.14 0.00 0.00 0.00 0.00 23.12 18.86 3kjj s ALA 85 CO 0.48 -1.54 1.25 0.00 0.00 0.00 0.00 175.76 175.95 3kjj n ALA 86 N 7.00 0.46 0.00 0.00 0.00 -1.26 -1.17 120.51 125.55 3kjj n ALA 86 Ca 0.12 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3kjj n ALA 86 Cb 0.47 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3kjj n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kjj n GLY 87 N 1.69 2.95 2.60 0.00 0.00 -1.26 -4.81 105.19 106.37 3kjj n GLY 87 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 3kjj n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjj n ARG 88 N -2.00 1.48 -2.87 1.61 1.74 -0.31 -5.10 116.66 111.21 3kjj n ARG 88 Ca 0.00 -3.46 -0.40 0.00 -0.77 0.00 0.00 57.85 53.22 3kjj n ARG 88 Cb 0.00 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 29.95 3kjj n ARG 88 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3kjj s THR 89 N -3.43 4.23 0.91 0.55 -4.23 -1.20 -4.53 115.64 107.94 3kjj s THR 89 Ca 0.31 1.89 -0.14 0.00 -1.18 0.00 0.00 61.69 62.57 3kjj s THR 89 Cb 0.44 -4.23 0.15 0.00 1.34 0.00 0.00 72.50 70.20 3kjj s THR 89 CO -0.00 0.51 1.26 -2.16 -0.54 0.00 0.00 174.62 173.68 3kjj s PRO 90 N -1.12 1.12 0.48 3.99 0.04 -1.26 -5.03 135.00 133.22 3kjj s PRO 90 Ca 0.38 -0.18 -0.23 0.00 0.04 0.00 0.00 61.00 61.01 3kjj s PRO 90 Cb -0.24 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 3kjj s PRO 90 CO 0.29 -2.12 1.26 0.00 0.04 0.00 0.00 177.00 176.46 3kjj s ALA 91 N -3.74 2.97 -0.07 8.56 0.00 0.36 -4.89 121.76 124.95 3kjj s ALA 91 Ca 0.69 1.13 -0.07 0.00 0.00 0.00 0.00 51.96 53.71 3kjj s ALA 91 Cb -0.07 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.60 3kjj s ALA 91 CO 0.52 -0.94 0.20 0.50 0.00 0.00 0.00 175.76 176.03 3kjj s ARG 92 N -2.69 0.23 0.07 0.00 3.52 -1.26 -0.39 118.95 118.43 3kjj s ARG 92 Ca 0.65 0.29 0.03 0.00 -0.13 0.00 0.00 55.73 56.57 3kjj s ARG 92 Cb -0.34 0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.11 3kjj s ARG 92 CO 0.42 -0.04 -0.10 0.00 -0.81 0.00 0.00 175.30 174.77 3kjj s ALA 93 N 0.17 0.93 -0.05 6.12 0.00 -0.81 -4.99 121.76 123.14 3kjj s ALA 93 Ca -0.01 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 3kjj s ALA 93 Cb -0.02 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.14 3kjj s ALA 93 CO -0.00 0.01 0.01 0.00 0.00 0.00 0.00 175.76 175.79 3kjj s VAL 95 N 1.59 0.70 -0.29 0.00 -7.23 -0.57 -5.00 120.40 109.62 3kjj s VAL 95 Ca -0.02 -1.95 -0.18 0.00 -1.81 0.00 0.00 61.98 58.02 3kjj s VAL 95 Cb -0.13 -1.81 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 3kjj s VAL 95 CO -0.03 -0.76 0.54 -0.70 -0.31 0.00 0.00 175.10 173.84 3kjj s GLU 96 N -3.85 3.94 -0.10 4.82 2.12 -1.26 -1.25 118.70 123.12 3kjj s GLU 96 Ca 0.15 0.21 -0.07 0.00 0.36 0.00 0.00 54.97 55.62 3kjj s GLU 96 Cb 0.05 -3.70 0.03 0.00 0.26 0.00 0.00 34.13 30.77 3kjj s GLU 96 CO -0.02 -0.46 0.25 0.00 -0.54 0.00 0.00 175.26 174.48 3kjj s ALA 97 N 2.40 -0.60 0.43 6.30 0.00 -0.21 -4.91 121.76 125.17 3kjj s ALA 97 Ca 0.22 0.84 -0.23 0.00 0.00 0.00 0.00 51.96 52.78 3kjj s ALA 97 Cb -0.15 -0.51 -0.08 0.00 0.00 0.00 0.00 23.12 22.37 3kjj s ALA 97 CO 0.11 -0.15 1.08 1.03 0.00 0.00 0.00 175.76 177.83 3kjj s ARG 98 N 0.61 3.99 0.54 0.00 0.52 -1.26 -3.18 118.95 120.18 3kjj s ARG 98 Ca -0.04 1.57 0.05 0.00 -0.52 0.00 0.00 55.73 56.79 3kjj s ARG 98 Cb -0.05 -2.44 0.03 0.00 0.52 0.00 0.00 34.95 33.00 3kjj s ARG 98 CO -0.04 -0.30 0.34 -0.51 0.02 0.00 0.00 175.30 174.81 3kjj s LEU 99 N -2.87 2.63 0.63 2.53 1.43 -1.26 -5.01 118.68 116.76 3kjj s LEU 99 Ca 0.61 -1.31 0.41 0.00 -1.03 0.00 0.00 54.13 52.81 3kjj s LEU 99 Cb -0.23 -1.12 2.08 0.00 0.03 0.00 0.00 46.19 46.95 3kjj s LEU 99 CO 0.29 -1.07 2.24 0.00 0.23 0.00 0.00 176.35 178.04 3kjj h ALA 100 N 0.84 1.00 -4.34 4.21 0.00 -1.97 -3.40 119.26 115.60 3kjj h ALA 100 Ca -0.38 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 53.95 3kjj h ALA 100 Cb 1.30 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.81 3kjj h ALA 100 CO 0.60 0.00 -0.85 1.03 0.00 0.00 0.00 179.25 180.03 3kjj s ARG 101 N -3.99 1.55 0.42 0.00 0.52 -1.26 -5.04 118.95 111.15 3kjj s ARG 101 Ca -0.03 -0.73 0.15 0.00 -0.52 0.00 0.00 55.73 54.61 3kjj s ARG 101 Cb 0.12 -1.52 1.03 0.00 0.52 0.00 0.00 34.95 35.10 3kjj s ARG 101 CO 0.45 0.41 1.90 -1.35 0.02 0.00 0.00 175.30 176.73 3kjj h PRO 102 N 5.55 0.44 0.00 3.54 0.11 -2.03 -1.83 132.00 137.78 3kjj h PRO 102 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3kjj h PRO 102 Cb 1.15 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3kjj h PRO 102 CO 0.47 0.29 0.00 0.93 -0.21 0.00 0.00 178.00 179.48 3kjj h GLU 103 N 0.45 0.00 -6.20 1.05 3.07 -1.96 -3.44 114.58 107.55 3kjj h GLU 103 Ca 0.41 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.70 3kjj h GLU 103 Cb 0.92 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.79 3kjj h GLU 103 CO -0.14 0.00 0.95 -1.58 -1.40 0.00 0.00 179.01 176.84 3kjj s TRP 104 N -3.19 2.66 -0.14 4.33 0.51 -0.69 -4.90 118.94 117.51 3kjj s TRP 104 Ca 0.08 0.85 0.20 0.00 -2.12 0.00 0.00 56.10 55.11 3kjj s TRP 104 Cb 0.10 -3.65 -0.16 0.00 -0.81 0.00 0.00 33.47 28.96 3kjj s TRP 104 CO 0.56 -2.08 0.73 0.54 -0.51 0.00 0.00 176.95 176.20 3kjj n ARG 105 N 6.85 0.63 -3.74 4.98 5.12 -1.26 -4.56 116.66 124.69 3kjj n ARG 105 Ca 0.15 0.04 -0.13 0.00 -1.93 0.00 0.00 57.85 55.98 3kjj n ARG 105 Cb 0.45 -1.70 -0.09 0.00 -1.16 0.00 0.00 32.46 29.95 3kjj n ARG 105 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kjj s VAL 106 N -3.21 0.02 -0.00 1.55 0.11 -1.26 -1.67 120.40 115.94 3kjj s VAL 106 Ca -0.04 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 3kjj s VAL 106 Cb 0.10 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 3kjj s VAL 106 CO 0.83 -0.11 -0.00 -0.70 -3.33 0.00 0.00 175.10 171.79 3kjj s GLU 107 N -0.53 0.03 -0.06 1.54 2.12 -0.47 -4.25 118.70 117.08 3kjj s GLU 107 Ca -0.06 -0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.29 3kjj s GLU 107 Cb -0.04 -0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.32 3kjj s GLU 107 CO 0.03 0.00 -0.16 0.42 -0.54 0.00 0.00 175.26 175.01 3kjj s ILE 108 N 0.02 1.36 -0.25 -3.70 1.01 -1.26 -0.77 121.20 117.61 3kjj s ILE 108 Ca -0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 3kjj s ILE 108 Cb -0.00 -1.20 0.03 0.00 0.01 0.00 0.00 42.46 41.30 3kjj s ILE 108 CO -0.00 0.40 -0.07 -0.75 0.00 0.00 0.00 174.94 174.52 3kjj s LYS 109 N 0.29 2.69 -0.11 2.79 2.20 0.56 -4.42 119.74 123.75 3kjj s LYS 109 Ca -0.09 -1.07 -0.04 0.00 -0.36 0.00 0.00 55.97 54.42 3kjj s LYS 109 Cb -0.13 -2.97 -0.03 0.00 -1.51 0.00 0.00 37.83 33.18 3kjj s LYS 109 CO 0.03 -0.45 0.03 0.42 -0.36 0.00 0.00 175.35 175.03 3kjj s ILE 110 N 1.28 4.57 -0.07 5.43 -1.09 -1.26 -1.35 121.20 128.71 3kjj s ILE 110 Ca -0.02 -0.14 0.05 0.00 -2.23 0.00 0.00 60.65 58.31 3kjj s ILE 110 Cb -0.17 -2.96 -0.01 0.00 -1.58 0.00 0.00 42.46 37.74 3kjj s ILE 110 CO -0.05 0.59 -0.21 -0.89 -1.23 0.00 0.00 174.94 173.15 3kjj s THR 111 N -0.71 2.37 0.27 2.92 2.01 -0.36 -1.30 115.64 120.83 3kjj s THR 111 Ca 0.12 -0.95 -0.00 0.00 0.31 0.00 0.00 61.69 61.17 3kjj s THR 111 Cb -0.12 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 3kjj s THR 111 CO 0.02 0.57 0.28 0.00 -0.69 0.00 0.00 174.62 174.80 3kjj s ALA 112 N -0.12 1.11 0.09 7.40 0.00 0.40 -0.83 121.76 129.82 3kjj s ALA 112 Ca -0.04 -1.67 0.08 0.00 0.00 0.00 0.00 51.96 50.34 3kjj s ALA 112 Cb -0.14 1.33 -0.04 0.00 0.00 0.00 0.00 23.12 24.27 3kjj s ALA 112 CO 0.04 -0.68 -0.19 0.14 0.00 0.00 0.00 175.76 175.07 3kjj s VAL 113 N -3.72 2.79 0.18 0.00 -7.23 -0.79 0.33 120.40 111.96 3kjj s VAL 113 Ca 0.36 -1.42 -0.30 0.00 -1.81 0.00 0.00 61.98 58.81 3kjj s VAL 113 Cb 0.03 -2.24 -0.08 0.00 0.56 0.00 0.00 36.38 34.65 3kjj s VAL 113 CO 0.18 0.18 1.03 -0.75 -0.31 0.00 0.00 175.10 175.43 3kjj s LYS 114 N -1.91 4.67 0.29 4.82 2.20 -0.85 -4.66 119.74 124.30 3kjj s LYS 114 Ca 0.17 1.62 -0.30 0.00 -0.36 0.00 0.00 55.97 57.09 3kjj s LYS 114 Cb -0.11 -3.30 -0.11 0.00 -1.51 0.00 0.00 37.83 32.81 3kjj s LYS 114 CO 0.08 0.20 1.58 1.03 -0.36 0.00 0.00 175.35 177.88 3kjj s ARG 115 N -0.52 4.14 0.44 4.03 0.52 -0.38 -4.99 118.95 122.18 3kjj s ARG 115 Ca 0.47 2.55 -0.21 0.00 -0.52 0.00 0.00 55.73 58.02 3kjj s ARG 115 Cb -0.27 -3.03 -0.10 0.00 0.52 0.00 0.00 34.95 32.06 3kjj s ARG 115 CO 0.34 -0.61 0.97 -0.51 0.02 0.00 0.00 175.30 175.50 3kjj s ASP 116 N 0.46 6.85 0.00 0.23 -0.00 -1.26 -5.02 116.67 117.93 3kjj s ASP 116 Ca 0.63 1.74 0.00 0.00 -0.00 0.00 0.00 52.55 54.92 3kjj s ASP 116 Cb -0.47 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 39.90 3kjj s ASP 116 CO 0.48 -0.42 0.00 0.00 -0.00 0.00 0.00 175.17 175.22