#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjj n ASP 2 N 0.00 0.00 -4.76 0.26 9.92 -1.26 -4.13 116.55 116.59 3kjj n ASP 2 Ca 0.00 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.89 3kjj n ASP 2 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 3kjj n ASP 2 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kjj s ILE 3 N 0.00 5.26 -0.15 0.53 1.01 -1.26 -4.34 121.20 122.25 3kjj s ILE 3 Ca 0.00 0.63 -0.03 0.00 0.00 0.00 0.00 60.65 61.25 3kjj s ILE 3 Cb 0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 3kjj s ILE 3 CO 0.00 0.43 -0.05 -0.13 0.00 0.00 0.00 174.94 175.19 3kjj s ARG 4 N 0.13 3.62 -0.14 2.79 1.81 0.53 -4.97 118.95 122.73 3kjj s ARG 4 Ca 0.19 -0.54 -0.03 0.00 -1.72 0.00 0.00 55.73 53.64 3kjj s ARG 4 Cb -0.14 -2.88 -0.03 0.00 -0.45 0.00 0.00 34.95 31.46 3kjj s ARG 4 CO 0.06 0.25 -0.04 0.71 -0.68 0.00 0.00 175.30 175.60 3kjj s TYR 5 N 0.32 3.01 -0.03 -0.53 2.02 -1.26 -0.39 117.35 120.49 3kjj s TYR 5 Ca -0.05 -0.22 0.06 0.00 -0.37 0.00 0.00 57.07 56.49 3kjj s TYR 5 Cb -0.14 -1.90 -0.01 0.00 -0.40 0.00 0.00 41.96 39.50 3kjj s TYR 5 CO 0.03 0.05 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.79 3kjj s PHE 6 N 0.08 2.08 -1.27 2.71 0.08 0.16 -4.78 117.98 117.05 3kjj s PHE 6 Ca -0.01 -0.51 -0.00 0.00 0.12 0.00 0.00 56.93 56.53 3kjj s PHE 6 Cb -0.14 -1.36 -0.00 0.00 -0.57 0.00 0.00 43.02 40.96 3kjj s PHE 6 CO 0.03 -0.12 0.80 0.41 -0.10 0.00 0.00 175.22 176.24 3kjj n GLY 7 N 2.79 -0.33 3.73 4.36 0.00 -1.26 -1.69 105.19 112.78 3kjj n GLY 7 Ca -0.17 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.57 3.85 0.45 2.61 2.01 -1.26 -2.21 115.64 117.52 3kjj s THR 8 Ca 0.01 1.53 0.04 0.00 0.31 0.00 0.00 61.69 63.59 3kjj s THR 8 Cb -0.00 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 3kjj s THR 8 CO 0.79 0.23 0.01 0.42 -0.69 0.00 0.00 174.62 175.38 3kjj s THR 9 N 0.04 1.55 0.45 -0.82 -4.23 0.69 -4.98 115.64 108.34 3kjj s THR 9 Ca 0.52 -2.00 0.40 0.00 -1.18 0.00 0.00 61.69 59.43 3kjj s THR 9 Cb -0.30 -2.61 0.41 0.00 1.34 0.00 0.00 72.50 71.34 3kjj s THR 9 CO 0.34 0.00 2.22 -0.65 -0.54 0.00 0.00 174.62 175.99 3kjj h PRO 10 N 1.61 0.00 0.00 3.99 0.11 -2.05 -3.30 132.00 132.35 3kjj h PRO 10 Ca -0.44 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.36 3kjj h PRO 10 Cb 1.27 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 3kjj h PRO 10 CO 0.77 0.00 -2.20 -2.13 -0.21 0.00 0.00 178.00 174.23 3kjj n ARG 11 N -2.97 0.68 -3.85 1.05 0.63 -1.26 -5.08 116.66 105.86 3kjj n ARG 11 Ca -0.02 0.10 -0.08 0.00 -0.92 0.00 0.00 57.85 56.92 3kjj n ARG 11 Cb 0.11 -1.43 -0.03 0.00 0.45 0.00 0.00 32.46 31.56 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 -2.42 -0.04 0.00 -0.14 -0.85 -1.24 -5.16 117.35 107.50 3kjj s TYR 12 Ca -0.25 -0.36 0.05 0.00 -0.52 0.00 0.00 57.07 55.99 3kjj s TYR 12 Cb 0.07 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.86 3kjj s TYR 12 CO 0.53 -1.08 -0.13 -1.12 -1.52 0.00 0.00 175.55 172.23 3kjj s SER 13 N -2.93 4.13 0.34 -0.18 0.01 -1.26 -0.22 113.70 113.59 3kjj s SER 13 Ca 0.13 -0.27 0.03 0.00 1.31 0.00 0.00 55.95 57.16 3kjj s SER 13 Cb -0.03 -0.83 0.60 0.00 0.21 0.00 0.00 66.02 65.96 3kjj s SER 13 CO 0.04 0.29 1.90 -0.33 0.41 0.00 0.00 173.24 175.55 3kjj h GLU 14 N 4.78 0.61 -3.40 12.44 4.39 -0.84 -3.37 114.58 129.18 3kjj h GLU 14 Ca -0.47 -0.11 -0.14 0.00 0.34 0.00 0.00 59.36 58.98 3kjj h GLU 14 Cb 1.16 -0.10 -0.20 0.00 -0.10 0.00 0.00 28.75 29.51 3kjj h GLU 14 CO 0.50 0.57 -0.44 0.00 -1.16 0.00 0.00 179.01 178.48 3kjj s ALA 15 N -5.13 -0.44 -0.02 3.43 0.00 -0.83 -0.92 121.76 117.85 3kjj s ALA 15 Ca -0.08 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.86 3kjj s ALA 15 Cb 0.16 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.40 3kjj s ALA 15 CO 0.77 -0.22 -0.04 0.08 0.00 0.00 0.00 175.76 176.35 3kjj s VAL 16 N -1.39 0.39 -0.05 0.00 1.01 -0.17 -0.67 120.40 119.52 3kjj s VAL 16 Ca -0.14 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3kjj s VAL 16 Cb -0.07 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.93 3kjj s VAL 16 CO 0.02 0.16 -0.12 -0.83 0.00 0.00 0.00 175.10 174.32 3kjj s GLY 17 N 0.46 0.76 -0.19 4.51 0.00 0.48 -0.56 107.32 112.77 3kjj s GLY 17 Ca -0.05 -0.44 -0.10 0.00 0.00 0.00 0.00 44.72 44.13 3kjj s GLY 17 CO -0.00 0.01 0.46 0.00 0.00 0.00 0.00 173.10 173.56 3kjj s ALA 18 N 0.48 -1.22 -1.32 3.20 0.00 -0.52 -0.34 121.76 122.03 3kjj s ALA 18 Ca -0.11 1.68 -0.02 0.00 0.00 0.00 0.00 51.96 53.51 3kjj s ALA 18 Cb -0.14 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.89 3kjj s ALA 18 CO 0.03 -0.39 0.79 -1.71 0.00 0.00 0.00 175.76 174.48 3kjj n ASN 19 N 4.52 -1.90 0.00 0.00 5.15 -1.26 -2.15 115.26 119.62 3kjj n ASN 19 Ca -0.20 -0.78 0.00 0.00 -0.60 0.00 0.00 54.58 53.01 3kjj n ASN 19 Cb 0.54 -4.23 0.00 0.00 -0.53 0.00 0.00 39.78 35.57 3kjj n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kjj n GLY 20 N -1.54 2.43 3.91 8.20 0.00 -1.26 -5.00 105.19 111.93 3kjj n GLY 20 Ca -0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 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 4.16 -0.05 0.99 1.43 -0.91 -0.63 118.68 123.67 3kjj s LEU 21 Ca 0.00 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 3kjj s LEU 21 Cb 0.00 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.89 3kjj s LEU 21 CO 0.00 -0.10 -0.02 -0.63 0.23 0.00 0.00 176.35 175.83 3kjj s ILE 22 N -1.93 0.41 -0.18 -0.59 1.01 0.86 -1.44 121.20 119.34 3kjj s ILE 22 Ca 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 60.65 61.05 3kjj s ILE 22 Cb -0.11 -0.49 0.01 0.00 0.01 0.00 0.00 42.46 41.88 3kjj s ILE 22 CO 0.29 0.22 -0.15 -0.36 0.00 0.00 0.00 174.94 174.93 3kjj s PHE 23 N 1.21 2.82 0.10 3.97 0.08 0.28 -0.69 117.98 125.74 3kjj s PHE 23 Ca -0.07 -1.35 -0.06 0.00 0.12 0.00 0.00 56.93 55.57 3kjj s PHE 23 Cb -0.14 -1.95 -0.05 0.00 -0.57 0.00 0.00 43.02 40.30 3kjj s PHE 23 CO -0.02 -0.68 0.36 -0.51 -0.10 0.00 0.00 175.22 174.28 3kjj s LEU 24 N 1.23 4.31 0.95 -0.37 1.43 -0.31 -1.00 118.68 124.91 3kjj s LEU 24 Ca 0.03 0.64 -0.10 0.00 -1.03 0.00 0.00 54.13 53.66 3kjj s LEU 24 Cb -0.14 -3.10 0.16 0.00 0.03 0.00 0.00 46.19 43.15 3kjj s LEU 24 CO -0.08 0.12 1.13 -0.44 0.23 0.00 0.00 176.35 177.32 3kjj s SER 25 N -2.11 2.66 0.09 2.29 0.01 -0.10 -4.27 113.70 112.27 3kjj s SER 25 Ca 0.36 2.11 0.00 0.00 1.31 0.00 0.00 55.95 59.74 3kjj s SER 25 Cb -0.13 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.56 3kjj s SER 25 CO 0.21 -3.25 0.00 0.61 0.41 0.00 0.00 173.24 171.22 3kjj n GLY 26 N 0.29 -3.06 0.00 3.44 0.00 -1.26 -4.61 105.19 99.99 3kjj n GLY 26 Ca 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.08 0.00 -1.92 1.61 0.24 -1.26 -4.91 118.33 111.01 3kjj n VAL 28 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 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 -2.84 -2.14 0.00 0.00 176.83 171.85 3kjj s PRO 29 N -2.00 4.21 0.00 7.34 0.02 -1.26 -4.74 135.00 138.57 3kjj s PRO 29 Ca 0.00 2.40 0.07 0.00 0.02 0.00 0.00 61.00 63.49 3kjj s PRO 29 Cb 0.00 -3.10 -0.08 0.00 0.02 0.00 0.00 34.50 31.34 3kjj s PRO 29 CO 0.00 -0.54 0.32 0.39 -0.33 0.00 0.00 177.00 176.84 3kjj n GLU 30 N 2.83 4.51 -3.72 5.54 1.02 -1.26 -5.02 120.64 124.53 3kjj n GLU 30 Ca 0.09 -0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.07 3kjj n GLU 30 Cb 0.39 -0.85 -0.09 0.00 -0.02 0.00 0.00 31.44 30.87 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 -1.66 -0.31 0.00 1.62 0.01 -1.26 -5.16 114.94 108.18 3kjj s ASN 31 Ca 0.03 0.36 0.00 0.00 -0.71 0.00 0.00 52.86 52.54 3kjj s ASN 31 Cb 0.06 0.48 0.00 0.00 0.41 0.00 0.00 41.25 42.19 3kjj s ASN 31 CO 0.29 -0.39 0.00 0.61 -1.51 0.00 0.00 177.10 176.10 3kjj n GLY 32 N 1.64 2.44 0.03 0.66 0.00 -1.26 -3.99 105.19 104.70 3kjj n GLY 32 Ca -0.19 -1.81 -0.04 0.00 0.00 0.00 0.00 46.02 43.98 3kjj n GLY 32 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kjj n GLU 33 N 1.39 2.26 -2.69 1.61 0.28 -1.26 -4.74 120.64 117.49 3kjj n GLU 33 Ca 0.00 0.01 -0.26 0.00 -0.16 0.00 0.00 57.16 56.75 3kjj n GLU 33 Cb 0.00 -1.15 0.01 0.00 1.43 0.00 0.00 31.44 31.73 3kjj n GLU 33 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3kjj s THR 34 N -2.14 4.53 0.26 3.84 -4.23 -1.26 -4.92 115.64 111.71 3kjj s THR 34 Ca -0.05 0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.44 3kjj s THR 34 Cb 0.02 -3.73 0.24 0.00 1.34 0.00 0.00 72.50 70.37 3kjj s THR 34 CO 0.22 -0.67 1.83 0.00 -0.54 0.00 0.00 174.62 175.45 3kjj h ALA 35 N 0.20 1.29 -0.23 3.99 0.00 -1.95 -0.21 119.26 122.34 3kjj h ALA 35 Ca -0.47 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 3kjj h ALA 35 Cb 1.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3kjj h ALA 35 CO 0.61 0.18 -0.09 0.00 0.00 0.00 0.00 179.25 179.94 3kjj h ALA 36 N 1.47 0.33 -0.55 0.00 0.00 -1.94 -0.47 119.26 118.10 3kjj h ALA 36 Ca 0.43 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3kjj h ALA 36 Cb 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3kjj h ALA 36 CO -0.24 0.16 0.03 0.93 0.00 0.00 0.00 179.25 180.13 3kjj h GLU 37 N 0.20 0.95 -0.17 0.00 5.08 -1.87 -0.99 114.58 117.77 3kjj h GLU 37 Ca 0.05 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.04 3kjj h GLU 37 Cb 0.58 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3kjj h GLU 37 CO 0.03 0.94 -0.24 1.96 -1.00 0.00 0.00 179.01 180.70 3kjj h GLN 38 N 0.83 0.47 -0.61 2.33 4.20 -1.05 -1.67 115.11 119.62 3kjj h GLN 38 Ca 0.16 -0.27 0.05 0.00 0.06 0.00 0.00 58.65 58.64 3kjj h GLN 38 Cb 0.49 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.25 3kjj h GLN 38 CO 0.02 0.86 0.34 1.15 -0.67 0.00 0.00 178.83 180.54 3kjj h THR 39 N 0.11 0.99 -0.46 -0.54 2.02 -1.06 0.46 112.91 114.43 3kjj h THR 39 Ca 0.02 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 67.04 3kjj h THR 39 Cb 0.81 0.29 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 3kjj h THR 39 CO 0.06 0.12 0.14 0.00 0.37 0.00 0.00 175.52 176.20 3kjj h ALA 40 N 1.31 0.54 -0.62 6.16 0.00 -1.10 -0.93 119.26 124.62 3kjj h ALA 40 Ca 0.26 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 3kjj h ALA 40 Cb 0.13 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3kjj h ALA 40 CO -0.15 -0.26 0.07 0.22 0.00 0.00 0.00 179.25 179.13 3kjj h ASP 41 N 0.30 0.99 -0.63 0.00 3.58 -0.55 -1.93 116.42 118.17 3kjj h ASP 41 Ca 0.22 -0.24 -0.08 0.00 0.42 0.00 0.00 57.03 57.35 3kjj h ASP 41 Cb 0.25 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 3kjj h ASP 41 CO -0.25 1.00 0.10 0.58 -2.88 0.00 0.00 179.24 177.80 3kjj h VAL 42 N 0.96 1.26 -0.11 2.25 2.07 -0.65 -2.76 116.25 119.26 3kjj h VAL 42 Ca 0.19 -1.02 -0.11 0.00 0.82 0.00 0.00 66.70 66.58 3kjj h VAL 42 Cb 0.46 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3kjj h VAL 42 CO 0.02 0.38 -0.42 -0.07 0.02 0.00 0.00 177.57 177.49 3kjj h LEU 43 N 0.96 0.28 -0.31 2.57 3.38 -0.91 -2.62 115.31 118.65 3kjj h LEU 43 Ca 0.19 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3kjj h LEU 43 Cb 0.43 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3kjj h LEU 43 CO 0.01 0.67 0.16 0.00 0.09 0.00 0.00 178.44 179.38 3kjj h ALA 44 N 1.34 0.38 -0.39 1.53 0.00 -1.26 -0.84 119.26 120.03 3kjj h ALA 44 Ca 0.02 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3kjj h ALA 44 Cb 0.84 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3kjj h ALA 44 CO 0.07 -0.22 0.19 1.96 0.00 0.00 0.00 179.25 181.25 3kjj h GLN 45 N 0.33 0.38 -0.38 0.00 4.20 -1.25 -0.05 115.11 118.34 3kjj h GLN 45 Ca 0.13 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3kjj h GLN 45 Cb 0.04 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3kjj h GLN 45 CO -0.08 0.25 0.24 0.82 -0.67 0.00 0.00 178.83 179.38 3kjj h ILE 46 N 0.39 1.12 -0.55 2.54 2.04 -1.38 0.35 117.51 122.02 3kjj h ILE 46 Ca 0.17 -0.25 0.10 0.00 1.00 0.00 0.00 64.86 65.87 3kjj h ILE 46 Cb 0.08 0.60 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 3kjj h ILE 46 CO -0.12 0.11 0.12 0.44 0.00 0.00 0.00 178.15 178.70 3kjj h ASP 47 N 0.51 0.01 -0.15 1.72 3.32 -0.73 0.17 116.42 121.27 3kjj h ASP 47 Ca 0.14 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 3kjj h ASP 47 Cb -0.02 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3kjj h ASP 47 CO -0.03 0.03 -0.02 0.03 -1.72 0.00 0.00 179.24 177.53 3kjj h ARG 48 N 0.26 0.27 -0.34 3.56 3.08 -0.23 -2.42 114.38 118.55 3kjj h ARG 48 Ca 0.28 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 60.12 3kjj h ARG 48 Cb 0.39 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3kjj h ARG 48 CO -0.36 0.52 -0.25 -1.49 -1.07 0.00 0.00 179.97 177.32 3kjj h TRP 49 N -0.01 0.78 -0.73 3.04 4.06 -0.05 -2.26 115.95 120.78 3kjj h TRP 49 Ca 0.04 -0.18 -0.01 0.00 2.06 0.00 0.00 58.89 60.79 3kjj h TRP 49 Cb 0.41 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.35 3kjj h TRP 49 CO 0.04 0.87 0.40 -0.07 -3.56 0.00 0.00 178.44 176.13 3kjj h LEU 50 N 0.60 0.91 -0.62 -4.49 3.38 -0.67 -2.69 115.31 111.72 3kjj h LEU 50 Ca 0.08 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3kjj h LEU 50 Cb 0.74 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3kjj h LEU 50 CO 0.06 0.74 0.40 0.00 0.09 0.00 0.00 178.44 179.73 3kjj h ALA 51 N 1.21 0.80 -0.66 1.53 0.00 -1.11 0.29 119.26 121.31 3kjj h ALA 51 Ca 0.26 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.27 3kjj h ALA 51 Cb 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3kjj h ALA 51 CO -0.04 0.18 0.45 0.93 0.00 0.00 0.00 179.25 180.77 3kjj h GLU 52 N 0.81 0.33 -0.28 0.00 4.39 -1.10 -2.16 114.58 116.57 3kjj h GLU 52 Ca 0.24 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.92 3kjj h GLU 52 Cb -0.05 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 3kjj h GLU 52 CO -0.07 0.22 0.00 0.00 -1.16 0.00 0.00 179.01 178.00 3kjj n GLY 54 N 1.38 0.69 0.00 0.00 0.00 -0.81 -4.78 105.19 101.66 3kjj n GLY 54 Ca 0.18 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 1.72 0.35 -3.70 1.61 2.88 0.95 -1.47 113.62 115.95 3kjj n SER 55 Ca 0.00 -0.99 -0.02 0.00 -1.33 0.00 0.00 58.87 56.52 3kjj n SER 55 Cb 0.49 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.95 3kjj n SER 55 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3kjj s ASP 56 N -0.98 -0.14 0.65 -3.46 1.47 -1.26 -3.20 116.67 109.75 3kjj s ASP 56 Ca 0.00 -0.38 0.36 0.00 1.18 0.00 0.00 52.55 53.71 3kjj s ASP 56 Cb 0.00 0.43 1.97 0.00 -0.34 0.00 0.00 42.92 44.98 3kjj s ASP 56 CO 0.00 -0.79 2.16 0.07 0.68 0.00 0.00 175.17 177.28 3kjj h LYS 57 N 2.00 0.00 -0.15 2.11 2.10 -1.92 0.32 116.57 121.03 3kjj h LYS 57 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 3kjj h LYS 57 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3kjj h LYS 57 CO 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.72 3kjj n ALA 58 N -2.08 2.52 -1.68 0.07 0.00 -1.26 -3.50 120.51 114.58 3kjj n ALA 58 Ca -0.02 -0.39 0.05 0.00 0.00 0.00 0.00 53.44 53.09 3kjj n ALA 58 Cb 0.24 -1.10 0.08 0.00 0.00 0.00 0.00 19.45 18.67 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 0.02 0.00 -2.82 0.00 8.25 0.10 -4.98 115.22 115.79 3kjj n HIS 59 Ca 0.12 -0.63 -0.41 0.00 -0.26 0.00 0.00 57.72 56.54 3kjj n HIS 59 Cb 0.22 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 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 -1.47 4.88 -0.05 1.59 1.01 -1.22 -1.13 120.40 124.01 3kjj s VAL 60 Ca 0.21 1.81 -0.10 0.00 0.00 0.00 0.00 61.98 63.91 3kjj s VAL 60 Cb 0.20 -4.21 -0.30 0.00 0.00 0.00 0.00 36.38 32.07 3kjj s VAL 60 CO -0.02 0.10 0.65 -0.07 0.00 0.00 0.00 175.10 175.76 3kjj h LEU 61 N 7.56 0.59 -7.67 3.92 3.38 -1.05 -3.40 115.31 118.64 3kjj h LEU 61 Ca -0.35 -0.91 -0.14 0.00 0.09 0.00 0.00 57.88 56.57 3kjj h LEU 61 Cb 1.17 -0.19 -0.21 0.00 0.09 0.00 0.00 40.66 41.52 3kjj h LEU 61 CO 0.80 1.77 -0.43 -0.62 0.09 0.00 0.00 178.44 180.05 3kjj s ASP 62 N -7.25 -0.05 -0.07 -0.43 2.15 -0.02 -1.75 116.67 109.25 3kjj s ASP 62 Ca -0.16 -0.08 -0.03 0.00 0.43 0.00 0.00 52.55 52.71 3kjj s ASP 62 Cb 0.06 0.25 0.04 0.00 -0.30 0.00 0.00 42.92 42.97 3kjj s ASP 62 CO 0.85 -0.36 0.15 0.00 -0.17 0.00 0.00 175.17 175.64 3kjj s ALA 63 N -1.24 -0.26 -0.17 3.66 0.00 -0.29 -1.57 121.76 121.89 3kjj s ALA 63 Ca -0.13 0.67 -0.02 0.00 0.00 0.00 0.00 51.96 52.48 3kjj s ALA 63 Cb -0.06 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 3kjj s ALA 63 CO 0.02 -0.25 -0.08 0.08 0.00 0.00 0.00 175.76 175.53 3kjj s VAL 64 N 1.44 3.32 -0.17 0.00 1.01 0.06 -2.00 120.40 124.07 3kjj s VAL 64 Ca -0.06 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3kjj s VAL 64 Cb -0.12 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.83 3kjj s VAL 64 CO -0.06 0.48 -0.19 -0.63 0.00 0.00 0.00 175.10 174.70 3kjj s ILE 65 N 0.81 2.17 -0.20 2.22 1.01 0.01 -0.10 121.20 127.12 3kjj s ILE 65 Ca -0.03 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 3kjj s ILE 65 Cb -0.15 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 3kjj s ILE 65 CO 0.01 0.53 0.02 -0.31 0.00 0.00 0.00 174.94 175.20 3kjj s TYR 66 N 1.19 3.09 -0.10 3.97 2.02 0.46 -1.59 117.35 126.39 3kjj s TYR 66 Ca 0.02 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 3kjj s TYR 66 Cb -0.14 -2.10 -0.02 0.00 -0.40 0.00 0.00 41.96 39.30 3kjj s TYR 66 CO -0.10 -0.15 -0.09 -0.51 -1.57 0.00 0.00 175.55 173.13 3kjj s LEU 67 N 0.90 2.98 0.21 -1.29 1.43 -0.57 -1.27 118.68 121.06 3kjj s LEU 67 Ca 0.02 -0.16 -0.10 0.00 -1.03 0.00 0.00 54.13 52.86 3kjj s LEU 67 Cb -0.14 -1.66 0.20 0.00 0.03 0.00 0.00 46.19 44.62 3kjj s LEU 67 CO 0.02 0.27 1.84 -0.09 0.23 0.00 0.00 176.35 178.63 3kjj h ARG 68 N 5.92 0.81 0.00 1.70 1.12 -1.36 0.96 114.38 123.53 3kjj h ARG 68 Ca -0.39 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.43 3kjj h ARG 68 Cb 1.18 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.96 3kjj h ARG 68 CO 0.55 0.54 0.00 -3.47 -3.11 0.00 0.00 179.97 174.47 3kjj n ASP 69 N -4.68 0.47 0.00 -3.80 2.03 -1.26 -4.58 116.55 104.73 3kjj n ASP 69 Ca 0.08 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.35 3kjj n ASP 69 Cb 0.10 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 3kjj n ASP 69 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kjj n GLY 71 N 1.18 0.00 0.70 0.27 0.00 -1.26 -4.42 105.19 101.66 3kjj n GLY 71 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 2.08 0.16 1.61 8.00 -1.26 -4.56 116.55 122.58 3kjj n ASP 72 Ca 0.00 -1.83 -0.15 0.00 0.71 0.00 0.00 54.79 53.52 3kjj n ASP 72 Cb 0.00 -0.17 -0.08 0.00 -0.02 0.00 0.00 41.12 40.85 3kjj n ASP 72 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3kjj h TYR 73 N 2.60 -1.14 -0.52 1.24 3.20 -2.01 -3.10 116.97 117.24 3kjj h TYR 73 Ca 0.00 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3kjj h TYR 73 Cb 0.58 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 3kjj h TYR 73 CO 0.17 -0.53 0.30 0.00 -1.64 0.00 0.00 178.16 176.47 3kjj h ALA 74 N -0.28 0.66 0.00 1.82 0.00 -1.99 0.19 119.26 119.66 3kjj h ALA 74 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kjj h ALA 74 Cb 0.70 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kjj h ALA 74 CO -0.18 0.15 0.00 -1.91 0.00 0.00 0.00 179.25 177.31 3kjj n GLU 75 N -4.67 0.26 0.00 0.00 2.13 -1.17 -1.17 120.64 116.02 3kjj n GLU 75 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 3kjj n GLU 75 Cb 0.06 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 30.57 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 0.52 0.00 -0.27 4.31 3.02 0.66 -3.28 115.26 120.22 3kjj n ASN 77 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.62 3kjj n ASN 77 Cb 0.08 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 39.55 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 1.23 0.56 7.41 0.00 -1.40 0.27 103.07 111.14 3kjj h GLY 78 Ca 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 3kjj h GLY 78 CO 0.00 0.22 -0.46 -2.08 0.00 0.00 0.00 176.54 174.23 3kjj h VAL 79 N 0.88 1.53 -0.17 4.60 2.07 -1.84 -3.24 116.25 120.09 3kjj h VAL 79 Ca 0.39 -2.16 0.05 0.00 0.82 0.00 0.00 66.70 65.80 3kjj h VAL 79 Cb 0.36 2.88 -0.06 0.00 -1.52 0.00 0.00 31.29 32.95 3kjj h VAL 79 CO -0.16 0.60 -0.24 -0.25 0.02 0.00 0.00 177.57 177.55 3kjj h TRP 80 N -0.41 -0.64 -0.34 1.57 2.91 -1.79 -2.39 115.95 114.87 3kjj h TRP 80 Ca -0.07 0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.04 3kjj h TRP 80 Cb 1.24 0.31 -0.02 0.00 -0.51 0.00 0.00 29.16 30.18 3kjj h TRP 80 CO 0.18 -0.32 0.23 -0.44 -1.03 0.00 0.00 178.44 177.07 3kjj h ASP 81 N -0.28 0.19 1.53 2.65 3.32 -0.59 -0.97 116.42 122.26 3kjj h ASP 81 Ca 0.11 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3kjj h ASP 81 Cb 0.45 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3kjj h ASP 81 CO -0.33 0.12 -0.17 0.00 -1.72 0.00 0.00 179.24 177.15 3kjj h ALA 82 N 1.82 0.90 0.02 3.45 0.00 -1.48 -3.34 119.26 120.62 3kjj h ALA 82 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.70 3kjj h ALA 82 Cb 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3kjj h ALA 82 CO -0.03 0.00 -2.27 1.87 0.00 0.00 0.00 179.25 178.82 3kjj n TRP 83 N -2.56 0.32 -1.25 0.00 -0.00 -0.47 -4.98 117.44 108.49 3kjj n TRP 83 Ca 0.04 0.09 -0.34 0.00 -0.00 0.00 0.00 57.50 57.29 3kjj n TRP 83 Cb 0.48 -1.05 0.11 0.00 -0.00 0.00 0.00 31.31 30.85 3kjj n TRP 83 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 3kjj s VAL 84 N -2.53 2.16 -0.17 5.87 -7.23 -0.59 -4.97 120.40 112.95 3kjj s VAL 84 Ca -0.20 0.07 -0.22 0.00 -1.81 0.00 0.00 61.98 59.83 3kjj s VAL 84 Cb 0.07 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 3kjj s VAL 84 CO 0.74 -0.05 0.67 0.00 -0.31 0.00 0.00 175.10 176.15 3kjj s ALA 85 N -2.08 3.51 0.25 1.32 0.00 -1.26 -5.02 121.76 118.48 3kjj s ALA 85 Ca 0.74 -0.16 -0.31 0.00 0.00 0.00 0.00 51.96 52.22 3kjj s ALA 85 Cb -0.29 -3.00 -0.13 0.00 0.00 0.00 0.00 23.12 19.70 3kjj s ALA 85 CO 0.48 -0.49 1.40 0.00 0.00 0.00 0.00 175.76 177.16 3kjj n ALA 86 N 4.86 1.20 0.00 0.00 0.00 -1.26 -1.30 120.51 124.00 3kjj n ALA 86 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3kjj n ALA 86 Cb 0.50 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 2.02 2.70 2.58 0.00 0.00 -1.26 -4.82 105.19 106.41 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 2.14 -2.83 1.61 1.74 -0.42 -5.08 116.66 111.83 3kjj n ARG 88 Ca 0.00 -3.72 -0.40 0.00 -0.77 0.00 0.00 57.85 52.96 3kjj n ARG 88 Cb 0.00 -1.70 -0.06 0.00 -1.02 0.00 0.00 32.46 29.68 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 -4.03 4.23 0.86 0.55 -4.23 -1.21 -4.52 115.64 107.30 3kjj s THR 89 Ca 0.35 1.96 -0.13 0.00 -1.18 0.00 0.00 61.69 62.69 3kjj s THR 89 Cb 0.40 -4.26 0.11 0.00 1.34 0.00 0.00 72.50 70.09 3kjj s THR 89 CO -0.03 0.48 1.18 -2.16 -0.54 0.00 0.00 174.62 173.55 3kjj s PRO 90 N -0.99 1.52 0.51 3.99 0.04 -1.26 -5.04 135.00 133.76 3kjj s PRO 90 Ca 0.40 0.10 -0.22 0.00 0.04 0.00 0.00 61.00 61.32 3kjj s PRO 90 Cb -0.25 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 3kjj s PRO 90 CO 0.30 -1.90 1.28 0.00 0.04 0.00 0.00 177.00 176.72 3kjj s ALA 91 N -3.52 2.89 -0.03 8.56 0.00 -0.72 -4.92 121.76 124.02 3kjj s ALA 91 Ca 0.64 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.66 3kjj s ALA 91 Cb -0.11 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.53 3kjj s ALA 91 CO 0.51 -1.09 0.26 0.50 0.00 0.00 0.00 175.76 175.94 3kjj s ARG 92 N -2.81 0.55 0.01 0.00 3.52 -1.26 -1.14 118.95 117.82 3kjj s ARG 92 Ca 0.68 -0.13 -0.02 0.00 -0.13 0.00 0.00 55.73 56.13 3kjj s ARG 92 Cb -0.36 0.24 -0.01 0.00 -1.56 0.00 0.00 34.95 33.26 3kjj s ARG 92 CO 0.43 -0.13 0.03 0.00 -0.81 0.00 0.00 175.30 174.81 3kjj s ALA 93 N -1.03 -0.05 -0.06 6.12 0.00 -0.85 -4.99 121.76 120.90 3kjj s ALA 93 Ca -0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 3kjj s ALA 93 Cb -0.05 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.19 3kjj s ALA 93 CO 0.03 -0.15 0.02 0.00 0.00 0.00 0.00 175.76 175.66 3kjj s VAL 95 N 2.04 1.30 -0.17 0.00 -7.23 -0.62 -5.00 120.40 110.71 3kjj s VAL 95 Ca 0.05 -2.06 -0.12 0.00 -1.81 0.00 0.00 61.98 58.04 3kjj s VAL 95 Cb -0.12 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 3kjj s VAL 95 CO -0.05 -0.23 0.23 -0.70 -0.31 0.00 0.00 175.10 174.05 3kjj s GLU 96 N -3.82 4.20 -0.11 4.82 2.12 -1.26 -1.51 118.70 123.14 3kjj s GLU 96 Ca 0.31 -0.01 -0.21 0.00 0.36 0.00 0.00 54.97 55.42 3kjj s GLU 96 Cb 0.06 -3.41 0.05 0.00 0.26 0.00 0.00 34.13 31.08 3kjj s GLU 96 CO 0.12 0.28 0.50 0.00 -0.54 0.00 0.00 175.26 175.62 3kjj s ALA 97 N 0.36 -1.27 0.26 6.30 0.00 0.33 -4.88 121.76 122.87 3kjj s ALA 97 Ca 0.14 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.90 3kjj s ALA 97 Cb -0.12 -0.36 -0.09 0.00 0.00 0.00 0.00 23.12 22.54 3kjj s ALA 97 CO 0.02 -0.28 1.14 1.03 0.00 0.00 0.00 175.76 177.67 3kjj s ARG 98 N -0.57 4.57 0.54 0.00 0.52 -1.26 -3.37 118.95 119.38 3kjj s ARG 98 Ca -0.07 1.87 0.07 0.00 -0.52 0.00 0.00 55.73 57.08 3kjj s ARG 98 Cb -0.03 -3.19 0.07 0.00 0.52 0.00 0.00 34.95 32.32 3kjj s ARG 98 CO 0.04 0.10 0.58 1.28 0.02 0.00 0.00 175.30 177.32 3kjj n LEU 99 N 1.43 0.00 0.16 2.53 4.77 -1.26 -5.03 117.00 119.60 3kjj n LEU 99 Ca 0.00 -2.58 0.02 0.00 -0.03 0.00 0.00 56.01 53.42 3kjj n LEU 99 Cb 0.44 -0.22 0.37 0.00 -2.33 0.00 0.00 43.42 41.69 3kjj n LEU 99 CO 0.55 -0.64 0.78 0.00 -1.33 0.00 0.00 177.39 176.76 3kjj h ALA 100 N 0.41 1.43 -4.35 -1.18 0.00 -1.97 -3.42 119.26 110.19 3kjj h ALA 100 Ca -0.30 -0.29 -0.57 0.00 0.00 0.00 0.00 54.91 53.76 3kjj h ALA 100 Cb 1.21 -0.06 -0.29 0.00 0.00 0.00 0.00 17.79 18.64 3kjj h ALA 100 CO 0.45 0.41 -0.84 1.03 0.00 0.00 0.00 179.25 180.30 3kjj s ARG 101 N -4.39 1.51 0.54 0.00 0.52 -1.26 -5.05 118.95 110.82 3kjj s ARG 101 Ca -0.04 -0.66 0.30 0.00 -0.52 0.00 0.00 55.73 54.80 3kjj s ARG 101 Cb 0.15 -1.46 1.55 0.00 0.52 0.00 0.00 34.95 35.71 3kjj s ARG 101 CO 0.73 0.40 2.10 -1.00 0.02 0.00 0.00 175.30 177.54 3kjj h PRO 102 N 5.68 0.00 0.00 3.54 0.13 -2.03 -2.39 132.00 136.94 3kjj h PRO 102 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3kjj h PRO 102 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3kjj h PRO 102 CO 0.48 0.09 0.00 1.05 -0.23 0.00 0.00 178.00 179.39 3kjj h GLU 103 N 0.00 0.00 -6.22 0.86 9.09 -1.96 -3.44 114.58 112.90 3kjj h GLU 103 Ca -0.00 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 58.85 3kjj h GLU 103 Cb 0.31 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.37 3kjj h GLU 103 CO 0.01 0.00 0.64 -1.58 0.05 0.00 0.00 179.01 178.14 3kjj s TRP 104 N -3.31 3.42 -0.40 2.06 0.51 -0.90 -4.93 118.94 115.39 3kjj s TRP 104 Ca 0.06 1.51 0.21 0.00 -2.12 0.00 0.00 56.10 55.76 3kjj s TRP 104 Cb 0.10 -3.24 -0.29 0.00 -0.81 0.00 0.00 33.47 29.22 3kjj s TRP 104 CO 0.51 -0.44 0.63 0.54 -0.51 0.00 0.00 176.95 177.68 3kjj n ARG 105 N 5.37 0.43 -3.73 4.98 1.74 -1.26 -4.59 116.66 119.61 3kjj n ARG 105 Ca 0.10 -0.12 -0.13 0.00 -0.77 0.00 0.00 57.85 56.92 3kjj n ARG 105 Cb 0.48 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.32 3kjj n ARG 105 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kjj s VAL 106 N -3.30 0.02 -0.05 1.55 0.11 -1.26 -1.80 120.40 115.67 3kjj s VAL 106 Ca -0.02 -0.14 -0.02 0.00 -2.93 0.00 0.00 61.98 58.87 3kjj s VAL 106 Cb 0.15 -0.61 0.03 0.00 -1.53 0.00 0.00 36.38 34.41 3kjj s VAL 106 CO 0.88 -0.08 0.11 -0.70 -3.33 0.00 0.00 175.10 171.98 3kjj s GLU 107 N -0.32 0.07 -0.09 1.54 2.12 -0.40 -4.06 118.70 117.56 3kjj s GLU 107 Ca -0.05 0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.58 3kjj s GLU 107 Cb -0.03 -0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.22 3kjj s GLU 107 CO 0.02 -0.13 -0.20 0.42 -0.54 0.00 0.00 175.26 174.84 3kjj s ILE 108 N 0.87 1.76 -0.28 -3.70 1.01 -1.26 -0.40 121.20 119.19 3kjj s ILE 108 Ca -0.07 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.70 3kjj s ILE 108 Cb -0.09 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.85 3kjj s ILE 108 CO -0.04 0.49 0.03 -0.75 0.00 0.00 0.00 174.94 174.68 3kjj s LYS 109 N 0.52 2.98 -0.14 2.79 2.47 0.86 -4.50 119.74 124.73 3kjj s LYS 109 Ca -0.16 -0.91 -0.02 0.00 -1.56 0.00 0.00 55.97 53.32 3kjj s LYS 109 Cb -0.17 -3.24 -0.02 0.00 -1.46 0.00 0.00 37.83 32.94 3kjj s LYS 109 CO 0.06 -0.44 -0.09 0.42 0.16 0.00 0.00 175.35 175.46 3kjj s ILE 110 N 1.43 3.45 -0.10 5.43 -1.09 -1.26 -0.76 121.20 128.31 3kjj s ILE 110 Ca 0.01 -0.52 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 3kjj s ILE 110 Cb -0.17 -2.48 -0.02 0.00 -1.58 0.00 0.00 42.46 38.21 3kjj s ILE 110 CO 0.00 0.52 -0.11 -0.89 -1.23 0.00 0.00 174.94 173.23 3kjj s THR 111 N 0.27 3.32 0.34 2.92 2.01 -0.61 -1.16 115.64 122.73 3kjj s THR 111 Ca -0.07 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.34 3kjj s THR 111 Cb -0.15 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 69.98 3kjj s THR 111 CO 0.04 0.55 0.41 0.00 -0.69 0.00 0.00 174.62 174.94 3kjj s ALA 112 N -0.17 1.08 0.01 7.40 0.00 0.13 -0.42 121.76 129.80 3kjj s ALA 112 Ca 0.01 -1.68 0.08 0.00 0.00 0.00 0.00 51.96 50.37 3kjj s ALA 112 Cb -0.13 1.25 -0.02 0.00 0.00 0.00 0.00 23.12 24.22 3kjj s ALA 112 CO 0.03 -0.75 -0.24 0.08 0.00 0.00 0.00 175.76 174.88 3kjj s VAL 113 N -3.19 1.91 -0.05 0.00 1.01 -0.28 -0.10 120.40 119.70 3kjj s VAL 113 Ca 0.34 -1.16 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 3kjj s VAL 113 Cb 0.01 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3kjj s VAL 113 CO 0.22 0.42 0.89 -0.75 0.00 0.00 0.00 175.10 175.88 3kjj s LYS 114 N -0.88 4.49 0.54 2.72 2.20 0.20 -4.61 119.74 124.39 3kjj s LYS 114 Ca 0.10 1.23 -0.22 0.00 -0.36 0.00 0.00 55.97 56.72 3kjj s LYS 114 Cb -0.09 -3.48 -0.06 0.00 -1.51 0.00 0.00 37.83 32.70 3kjj s LYS 114 CO 0.01 -0.07 1.30 0.54 -0.36 0.00 0.00 175.35 176.76 3kjj n ARG 115 N 4.12 1.61 0.00 4.03 1.74 -0.54 -4.96 116.66 122.66 3kjj n ARG 115 Ca 0.04 0.59 0.15 0.00 -0.77 0.00 0.00 57.85 57.86 3kjj n ARG 115 Cb 0.51 -2.49 0.64 0.00 -1.02 0.00 0.00 32.46 30.10 3kjj n ARG 115 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86