#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 5.27 -0.13 0.53 1.01 -1.26 -4.52 121.20 122.10 3kjj s ILE 3 Ca 0.00 0.57 -0.02 0.00 0.00 0.00 0.00 60.65 61.20 3kjj s ILE 3 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 3kjj s ILE 3 CO 0.00 0.48 -0.07 -0.60 0.00 0.00 0.00 174.94 174.75 3kjj s ARG 4 N -0.19 3.43 -0.10 2.79 3.52 0.73 -4.98 118.95 124.16 3kjj s ARG 4 Ca 0.18 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.21 3kjj s ARG 4 Cb -0.14 -2.77 -0.02 0.00 -1.56 0.00 0.00 34.95 30.46 3kjj s ARG 4 CO 0.06 0.31 -0.11 0.71 -0.81 0.00 0.00 175.30 175.46 3kjj s TYR 5 N 0.16 2.84 -0.07 5.12 2.02 -1.26 0.12 117.35 126.27 3kjj s TYR 5 Ca -0.03 -0.31 0.04 0.00 -0.37 0.00 0.00 57.07 56.40 3kjj s TYR 5 Cb -0.14 -1.77 -0.00 0.00 -0.40 0.00 0.00 41.96 39.65 3kjj s TYR 5 CO 0.04 0.05 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.79 3kjj s PHE 6 N -0.22 2.17 -1.22 2.71 0.08 0.96 -4.77 117.98 117.69 3kjj s PHE 6 Ca 0.02 -0.76 -0.01 0.00 0.12 0.00 0.00 56.93 56.29 3kjj s PHE 6 Cb -0.13 -1.46 -0.01 0.00 -0.57 0.00 0.00 43.02 40.85 3kjj s PHE 6 CO 0.03 -0.29 0.89 0.41 -0.10 0.00 0.00 175.22 176.16 3kjj n GLY 7 N 3.33 -0.45 3.69 4.36 0.00 -1.26 -1.38 105.19 113.49 3kjj n GLY 7 Ca -0.19 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.47 4.10 0.51 2.61 2.01 -1.26 -2.23 115.64 117.92 3kjj s THR 8 Ca 0.07 1.46 0.06 0.00 0.31 0.00 0.00 61.69 63.59 3kjj s THR 8 Cb -0.01 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.57 3kjj s THR 8 CO 0.76 0.03 0.35 0.42 -0.69 0.00 0.00 174.62 175.49 3kjj s THR 9 N 1.96 1.82 -0.16 -0.82 -4.23 0.29 -4.97 115.64 109.53 3kjj s THR 9 Ca 0.58 -1.53 0.23 0.00 -1.18 0.00 0.00 61.69 59.79 3kjj s THR 9 Cb -0.27 -2.35 0.23 0.00 1.34 0.00 0.00 72.50 71.45 3kjj s THR 9 CO 0.25 0.00 1.70 -0.65 -0.54 0.00 0.00 174.62 175.38 3kjj h PRO 10 N 0.91 0.00 0.00 3.99 0.11 -2.05 -3.25 132.00 131.70 3kjj h PRO 10 Ca -0.38 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.69 3kjj h PRO 10 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 3kjj h PRO 10 CO 0.60 0.00 -1.12 -2.13 -0.21 0.00 0.00 178.00 175.14 3kjj n ARG 11 N -2.30 3.65 -3.66 1.05 0.63 -1.26 -5.09 116.66 109.68 3kjj n ARG 11 Ca -0.01 -0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.83 3kjj n ARG 11 Cb 0.04 -1.04 -0.02 0.00 0.45 0.00 0.00 32.46 31.89 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 -2.04 -0.31 -0.08 -0.14 -0.85 -1.23 -5.16 117.35 107.54 3kjj s TYR 12 Ca -0.01 -0.00 -0.01 0.00 -0.52 0.00 0.00 57.07 56.53 3kjj s TYR 12 Cb 0.01 0.63 -0.03 0.00 0.38 0.00 0.00 41.96 42.94 3kjj s TYR 12 CO 0.07 -0.95 -0.04 -1.12 -1.52 0.00 0.00 175.55 171.99 3kjj s SER 13 N -2.81 4.91 0.49 -0.18 0.01 -1.26 0.11 113.70 114.95 3kjj s SER 13 Ca 0.07 0.04 0.17 0.00 1.31 0.00 0.00 55.95 57.55 3kjj s SER 13 Cb -0.03 -1.34 1.19 0.00 0.21 0.00 0.00 66.02 66.05 3kjj s SER 13 CO -0.02 0.35 2.07 -0.33 0.41 0.00 0.00 173.24 175.72 3kjj h GLU 14 N 5.32 0.00 -2.68 12.44 4.39 -0.75 -3.37 114.58 129.93 3kjj h GLU 14 Ca -0.48 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.11 3kjj h GLU 14 Cb 1.18 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.60 3kjj h GLU 14 CO 0.54 0.11 -0.19 0.00 -1.16 0.00 0.00 179.01 178.30 3kjj s ALA 15 N -4.72 -1.08 -0.06 3.43 0.00 -0.94 -0.47 121.76 117.92 3kjj s ALA 15 Ca -0.04 1.17 0.01 0.00 0.00 0.00 0.00 51.96 53.10 3kjj s ALA 15 Cb 0.16 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.66 3kjj s ALA 15 CO 0.67 -0.22 -0.08 0.08 0.00 0.00 0.00 175.76 176.21 3kjj s VAL 16 N 0.06 0.84 -0.09 0.00 1.01 -0.04 -0.03 120.40 122.15 3kjj s VAL 16 Ca -0.01 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.71 3kjj s VAL 16 Cb -0.03 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 3kjj s VAL 16 CO 0.01 0.29 -0.18 -0.83 0.00 0.00 0.00 175.10 174.39 3kjj s GLY 17 N 0.87 1.44 -0.21 4.51 0.00 0.12 -0.68 107.32 113.37 3kjj s GLY 17 Ca -0.11 -0.97 -0.13 0.00 0.00 0.00 0.00 44.72 43.51 3kjj s GLY 17 CO 0.01 -0.48 0.52 0.00 0.00 0.00 0.00 173.10 173.15 3kjj s ALA 18 N -0.06 -1.35 -1.26 3.20 0.00 -0.82 -0.19 121.76 121.28 3kjj s ALA 18 Ca -0.05 1.79 -0.05 0.00 0.00 0.00 0.00 51.96 53.65 3kjj s ALA 18 Cb -0.14 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 3kjj s ALA 18 CO 0.04 -0.30 0.71 -1.71 0.00 0.00 0.00 175.76 174.50 3kjj n ASN 19 N 3.97 -2.42 0.00 0.00 4.05 -1.26 -2.34 115.26 117.25 3kjj n ASN 19 Ca -0.20 -0.87 0.00 0.00 0.45 0.00 0.00 54.58 53.96 3kjj n ASN 19 Cb 0.57 -3.91 0.00 0.00 1.23 0.00 0.00 39.78 37.66 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 -1.61 2.73 3.84 8.20 0.00 -1.26 -4.99 105.19 112.11 3kjj n GLY 20 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 4.11 -0.09 0.99 1.43 -0.99 -2.97 118.68 121.17 3kjj s LEU 21 Ca 0.00 1.35 0.02 0.00 -1.03 0.00 0.00 54.13 54.47 3kjj s LEU 21 Cb 0.00 -4.03 0.01 0.00 0.03 0.00 0.00 46.19 42.21 3kjj s LEU 21 CO 0.00 -0.17 -0.14 -0.63 0.23 0.00 0.00 176.35 175.64 3kjj s ILE 22 N -1.91 1.33 -0.25 -0.59 1.01 0.21 -1.95 121.20 119.06 3kjj s ILE 22 Ca 0.53 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 3kjj s ILE 22 Cb -0.11 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.15 3kjj s ILE 22 CO 0.18 0.40 -0.03 -0.36 0.00 0.00 0.00 174.94 175.14 3kjj s PHE 23 N 0.84 3.04 0.10 3.97 0.08 0.14 -0.38 117.98 125.78 3kjj s PHE 23 Ca -0.10 -1.23 -0.13 0.00 0.12 0.00 0.00 56.93 55.58 3kjj s PHE 23 Cb -0.15 -2.11 -0.06 0.00 -0.57 0.00 0.00 43.02 40.12 3kjj s PHE 23 CO 0.01 -0.64 0.48 -0.51 -0.10 0.00 0.00 175.22 174.46 3kjj s LEU 24 N 1.41 4.37 0.80 -0.37 1.43 -0.54 -0.86 118.68 124.92 3kjj s LEU 24 Ca 0.03 0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 53.96 3kjj s LEU 24 Cb -0.16 -3.06 0.08 0.00 0.03 0.00 0.00 46.19 43.08 3kjj s LEU 24 CO -0.03 0.16 1.21 -0.44 0.23 0.00 0.00 176.35 177.49 3kjj s SER 25 N -1.62 3.62 0.00 2.29 0.01 0.38 -4.19 113.70 114.19 3kjj s SER 25 Ca 0.34 2.38 0.00 0.00 1.31 0.00 0.00 55.95 59.98 3kjj s SER 25 Cb -0.15 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.49 3kjj s SER 25 CO 0.18 -2.65 0.00 0.61 0.41 0.00 0.00 173.24 171.79 3kjj n GLY 26 N 0.52 -2.27 3.64 3.44 0.00 -1.26 -4.64 105.19 104.62 3kjj n GLY 26 Ca 0.14 -0.77 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 3kjj n GLY 26 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kjj s VAL 28 N 0.00 0.00 0.36 1.61 -7.23 -1.26 -4.90 120.40 108.98 3kjj s VAL 28 Ca 0.00 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.89 3kjj s VAL 28 Cb 0.00 -1.00 -0.10 0.00 0.56 0.00 0.00 36.38 35.84 3kjj s VAL 28 CO 0.00 0.00 1.33 -2.84 -0.31 0.00 0.00 175.10 173.28 3kjj s PRO 29 N -1.53 4.19 -0.01 4.82 0.02 -1.26 -4.81 135.00 136.41 3kjj s PRO 29 Ca 0.10 2.26 0.07 0.00 0.02 0.00 0.00 61.00 63.44 3kjj s PRO 29 Cb -0.01 -2.95 -0.11 0.00 0.02 0.00 0.00 34.50 31.46 3kjj s PRO 29 CO -0.05 -0.35 0.16 0.39 -0.33 0.00 0.00 177.00 176.82 3kjj n GLU 30 N 0.52 0.47 -4.14 5.54 1.02 -1.26 -5.04 120.64 117.75 3kjj n GLU 30 Ca 0.01 -0.06 -0.11 0.00 -0.02 0.00 0.00 57.16 56.99 3kjj n GLU 30 Cb 0.42 -1.14 -0.10 0.00 -0.02 0.00 0.00 31.44 30.59 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 -2.73 1.04 0.00 1.62 0.01 -1.26 -5.14 114.94 108.48 3kjj s ASN 31 Ca -0.02 -0.92 0.00 0.00 -0.71 0.00 0.00 52.86 51.21 3kjj s ASN 31 Cb 0.04 0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.79 3kjj s ASN 31 CO 0.29 -0.42 0.00 0.61 -1.51 0.00 0.00 177.10 176.06 3kjj n GLY 32 N 0.26 0.66 0.02 0.66 0.00 -1.26 -4.22 105.19 101.31 3kjj n GLY 32 Ca -0.14 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.21 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 0.87 0.98 -2.00 1.61 0.28 -1.26 -4.73 120.64 116.39 3kjj n GLU 33 Ca 0.00 0.02 -0.31 0.00 -0.16 0.00 0.00 57.16 56.71 3kjj n GLU 33 Cb 0.00 -1.09 0.01 0.00 1.43 0.00 0.00 31.44 31.78 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 -2.09 4.73 0.23 3.84 -4.23 -1.26 -4.91 115.64 111.95 3kjj s THR 34 Ca -0.05 0.79 -0.07 0.00 -1.18 0.00 0.00 61.69 61.18 3kjj s THR 34 Cb 0.01 -3.86 0.18 0.00 1.34 0.00 0.00 72.50 70.17 3kjj s THR 34 CO 0.12 -1.09 1.80 0.00 -0.54 0.00 0.00 174.62 174.91 3kjj h ALA 35 N -0.20 1.03 0.08 3.99 0.00 -1.95 -1.10 119.26 121.11 3kjj h ALA 35 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3kjj h ALA 35 Cb 1.19 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3kjj h ALA 35 CO 0.62 0.04 -0.06 0.00 0.00 0.00 0.00 179.25 179.85 3kjj h ALA 36 N 1.41 -0.13 -0.64 0.00 0.00 -1.94 0.35 119.26 118.32 3kjj h ALA 36 Ca 0.35 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 3kjj h ALA 36 Cb 0.30 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3kjj h ALA 36 CO -0.23 -0.58 0.26 0.93 0.00 0.00 0.00 179.25 179.63 3kjj h GLU 37 N -0.15 0.95 -0.24 0.00 5.08 -1.90 -1.67 114.58 116.65 3kjj h GLU 37 Ca -0.00 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 3kjj h GLU 37 Cb 0.14 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3kjj h GLU 37 CO -0.01 0.80 -0.05 1.96 -1.00 0.00 0.00 179.01 180.71 3kjj h GLN 38 N 0.90 0.46 -0.37 2.33 4.20 -1.13 -0.59 115.11 120.91 3kjj h GLN 38 Ca 0.21 -0.17 0.05 0.00 0.06 0.00 0.00 58.65 58.80 3kjj h GLN 38 Cb 0.20 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 3kjj h GLN 38 CO -0.02 0.68 0.10 1.15 -0.67 0.00 0.00 178.83 180.08 3kjj h THR 39 N 0.20 0.85 -0.33 -0.54 2.02 -0.88 0.25 112.91 114.49 3kjj h THR 39 Ca 0.06 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 67.23 3kjj h THR 39 Cb 0.51 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 67.43 3kjj h THR 39 CO 0.02 0.04 -0.14 0.00 0.37 0.00 0.00 175.52 175.82 3kjj h ALA 40 N 1.26 0.13 -0.83 6.16 0.00 -1.18 0.13 119.26 124.93 3kjj h ALA 40 Ca 0.17 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3kjj h ALA 40 Cb 0.18 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3kjj h ALA 40 CO -0.20 -0.52 0.50 0.22 0.00 0.00 0.00 179.25 179.24 3kjj h ASP 41 N -0.08 1.01 -0.41 0.00 3.58 -0.33 -0.87 116.42 119.31 3kjj h ASP 41 Ca 0.17 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 3kjj h ASP 41 Cb 0.33 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 3kjj h ASP 41 CO -0.38 0.78 0.06 0.58 -2.88 0.00 0.00 179.24 177.40 3kjj h VAL 42 N 1.14 1.24 -0.50 2.25 2.07 -0.15 -1.25 116.25 121.06 3kjj h VAL 42 Ca 0.30 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.83 3kjj h VAL 42 Cb -0.03 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3kjj h VAL 42 CO -0.05 0.30 -0.10 -0.07 0.02 0.00 0.00 177.57 177.67 3kjj h LEU 43 N 0.53 0.92 -0.95 2.57 3.38 -0.77 -0.64 115.31 120.36 3kjj h LEU 43 Ca 0.12 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3kjj h LEU 43 Cb 0.38 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 3kjj h LEU 43 CO 0.01 1.04 0.62 0.00 0.09 0.00 0.00 178.44 180.20 3kjj h ALA 44 N 1.05 1.21 -0.48 1.53 0.00 -1.00 0.21 119.26 121.79 3kjj h ALA 44 Ca 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kjj h ALA 44 Cb 0.63 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3kjj h ALA 44 CO 0.04 0.57 0.25 1.96 0.00 0.00 0.00 179.25 182.07 3kjj h GLN 45 N 1.26 0.67 -0.42 0.00 4.20 -0.61 -2.13 115.11 118.07 3kjj h GLN 45 Ca 0.36 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 3kjj h GLN 45 Cb -0.11 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 3kjj h GLN 45 CO -0.09 0.54 0.25 0.82 -0.67 0.00 0.00 178.83 179.68 3kjj h ILE 46 N 0.63 1.14 -0.57 2.54 2.04 -0.44 -0.47 117.51 122.38 3kjj h ILE 46 Ca 0.17 -0.34 0.10 0.00 1.00 0.00 0.00 64.86 65.79 3kjj h ILE 46 Cb 0.07 0.60 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 3kjj h ILE 46 CO -0.03 0.14 0.15 0.44 0.00 0.00 0.00 178.15 178.86 3kjj h ASP 47 N 0.55 0.07 -0.23 1.72 3.32 -0.43 -0.71 116.42 120.71 3kjj h ASP 47 Ca 0.15 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 3kjj h ASP 47 Cb 0.02 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3kjj h ASP 47 CO -0.03 0.05 -0.03 0.03 -1.72 0.00 0.00 179.24 177.55 3kjj h ARG 48 N 0.30 0.43 -0.57 3.56 3.08 -0.75 -2.01 114.38 118.41 3kjj h ARG 48 Ca 0.29 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 60.09 3kjj h ARG 48 Cb 0.40 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3kjj h ARG 48 CO -0.35 0.64 -0.05 -1.49 -1.07 0.00 0.00 179.97 177.65 3kjj h TRP 49 N 0.18 1.15 -0.54 3.04 4.06 -0.97 -1.82 115.95 121.04 3kjj h TRP 49 Ca 0.06 -0.22 -0.00 0.00 2.06 0.00 0.00 58.89 60.80 3kjj h TRP 49 Cb 0.46 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 28.30 3kjj h TRP 49 CO 0.04 1.03 0.33 -0.07 -3.56 0.00 0.00 178.44 176.22 3kjj h LEU 50 N 0.94 0.63 -0.82 -4.49 3.38 -1.09 -1.65 115.31 112.21 3kjj h LEU 50 Ca 0.16 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.14 3kjj h LEU 50 Cb 0.61 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 3kjj h LEU 50 CO 0.04 0.49 0.51 0.00 0.09 0.00 0.00 178.44 179.57 3kjj h ALA 51 N 1.17 1.12 -0.13 1.53 0.00 -1.22 0.17 119.26 121.90 3kjj h ALA 51 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kjj h ALA 51 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3kjj h ALA 51 CO -0.04 0.26 0.09 0.93 0.00 0.00 0.00 179.25 180.49 3kjj h GLU 52 N 0.94 0.16 -0.57 0.00 3.07 -0.72 -2.63 114.58 114.83 3kjj h GLU 52 Ca 0.35 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 3kjj h GLU 52 Cb 0.14 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 3kjj h GLU 52 CO -0.16 0.11 0.00 0.00 -1.40 0.00 0.00 179.01 177.55 3kjj n GLY 54 N 1.22 0.08 2.48 0.00 0.00 -0.88 -4.75 105.19 103.35 3kjj n GLY 54 Ca 0.19 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.44 0.22 -3.20 1.61 2.88 0.42 -0.69 113.62 114.41 3kjj n SER 55 Ca -0.05 -2.66 -0.07 0.00 -1.33 0.00 0.00 58.87 54.76 3kjj n SER 55 Cb 0.56 1.05 0.01 0.00 -0.75 0.00 0.00 64.21 65.08 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 -2.83 -0.06 0.60 -3.46 1.47 -1.26 -2.98 116.67 108.15 3kjj s ASP 56 Ca 0.24 -0.95 0.33 0.00 1.18 0.00 0.00 52.55 53.35 3kjj s ASP 56 Cb 0.01 0.77 1.91 0.00 -0.34 0.00 0.00 42.92 45.27 3kjj s ASP 56 CO 0.17 -1.51 2.26 0.07 0.68 0.00 0.00 175.17 176.84 3kjj h LYS 57 N 2.00 0.00 -0.08 2.11 2.10 -1.93 0.65 116.57 121.43 3kjj h LYS 57 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 3kjj h LYS 57 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3kjj h LYS 57 CO 0.36 0.02 0.00 0.00 -2.00 0.00 0.00 179.45 177.82 3kjj n ALA 58 N -2.26 2.57 -1.70 0.07 0.00 -1.26 -3.28 120.51 114.65 3kjj n ALA 58 Ca -0.03 -0.38 0.01 0.00 0.00 0.00 0.00 53.44 53.04 3kjj n ALA 58 Cb 0.10 -1.20 0.17 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.10 0.42 -3.34 0.00 8.25 0.22 -4.96 115.22 115.72 3kjj n HIS 59 Ca 0.17 -1.58 -0.38 0.00 -0.26 0.00 0.00 57.72 55.67 3kjj n HIS 59 Cb 0.25 -0.26 -0.07 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 -3.34 5.18 -0.04 1.59 1.01 -1.20 -0.97 120.40 122.62 3kjj s VAL 60 Ca 0.40 0.82 -0.09 0.00 0.00 0.00 0.00 61.98 63.11 3kjj s VAL 60 Cb 0.38 -3.77 -0.30 0.00 0.00 0.00 0.00 36.38 32.68 3kjj s VAL 60 CO -0.06 0.26 0.69 -0.07 0.00 0.00 0.00 175.10 175.92 3kjj h LEU 61 N 7.45 0.56 -7.32 3.92 3.38 -1.42 -3.39 115.31 118.49 3kjj h LEU 61 Ca -0.37 -0.84 -0.13 0.00 0.09 0.00 0.00 57.88 56.64 3kjj h LEU 61 Cb 1.16 -0.18 -0.24 0.00 0.09 0.00 0.00 40.66 41.49 3kjj h LEU 61 CO 0.74 1.71 -0.26 -0.62 0.09 0.00 0.00 178.44 180.10 3kjj s ASP 62 N -7.21 -0.42 -0.03 -0.43 2.15 -0.93 -0.99 116.67 108.82 3kjj s ASP 62 Ca -0.15 0.80 -0.01 0.00 0.43 0.00 0.00 52.55 53.63 3kjj s ASP 62 Cb 0.06 0.81 0.03 0.00 -0.30 0.00 0.00 42.92 43.51 3kjj s ASP 62 CO 0.85 -0.14 0.04 0.00 -0.17 0.00 0.00 175.17 175.75 3kjj s ALA 63 N 0.29 0.09 -0.18 3.66 0.00 0.01 -1.26 121.76 124.37 3kjj s ALA 63 Ca -0.01 0.31 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 3kjj s ALA 63 Cb -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 3kjj s ALA 63 CO -0.00 -0.19 -0.09 0.08 0.00 0.00 0.00 175.76 175.56 3kjj s VAL 64 N 1.32 3.15 -0.22 0.00 1.01 -0.24 -1.67 120.40 123.74 3kjj s VAL 64 Ca -0.06 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 3kjj s VAL 64 Cb -0.13 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 3kjj s VAL 64 CO -0.03 0.47 0.00 -0.63 0.00 0.00 0.00 175.10 174.91 3kjj s ILE 65 N 1.05 3.83 -0.21 2.22 1.01 0.60 -0.96 121.20 128.73 3kjj s ILE 65 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 3kjj s ILE 65 Cb -0.15 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 3kjj s ILE 65 CO -0.01 0.40 0.10 -0.31 0.00 0.00 0.00 174.94 175.12 3kjj s TYR 66 N 1.39 3.27 -0.09 3.97 2.02 -0.26 -1.15 117.35 126.51 3kjj s TYR 66 Ca 0.05 0.10 0.02 0.00 -0.37 0.00 0.00 57.07 56.88 3kjj s TYR 66 Cb -0.15 -2.16 -0.02 0.00 -0.40 0.00 0.00 41.96 39.24 3kjj s TYR 66 CO 0.00 0.10 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.41 3kjj s LEU 67 N 0.69 2.59 0.23 -1.29 1.43 -0.12 -1.78 118.68 120.43 3kjj s LEU 67 Ca 0.05 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.76 3kjj s LEU 67 Cb -0.13 -1.54 0.30 0.00 0.03 0.00 0.00 46.19 44.85 3kjj s LEU 67 CO 0.02 0.24 1.84 -0.09 0.23 0.00 0.00 176.35 178.58 3kjj h ARG 68 N 6.14 0.87 0.00 1.70 2.43 -1.39 0.24 114.38 124.36 3kjj h ARG 68 Ca -0.33 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3kjj h ARG 68 Cb 1.19 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3kjj h ARG 68 CO 0.52 0.57 0.00 -3.47 -1.51 0.00 0.00 179.97 176.08 3kjj n ASP 69 N -4.66 0.36 0.00 -3.80 4.64 -1.26 -4.48 116.55 107.34 3kjj n ASP 69 Ca 0.11 -0.34 0.00 0.00 -1.38 0.00 0.00 54.79 53.18 3kjj n ASP 69 Cb 0.17 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.25 3kjj n ASP 69 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kjj n GLY 71 N 0.89 0.00 0.86 0.27 0.00 -1.26 -4.38 105.19 101.57 3kjj n GLY 71 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 2.49 0.19 1.61 8.00 -1.26 -4.60 116.55 122.99 3kjj n ASP 72 Ca 0.00 -1.98 -0.15 0.00 0.71 0.00 0.00 54.79 53.38 3kjj n ASP 72 Cb 0.00 -0.30 -0.07 0.00 -0.02 0.00 0.00 41.12 40.73 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 2.78 -0.92 -0.61 1.24 3.20 -2.01 -3.00 116.97 117.64 3kjj h TYR 73 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3kjj h TYR 73 Cb 0.63 0.37 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 3kjj h TYR 73 CO 0.30 -0.47 0.36 0.00 -1.64 0.00 0.00 178.16 176.70 3kjj h ALA 74 N -0.15 0.78 0.00 1.82 0.00 -1.99 -0.90 119.26 118.82 3kjj h ALA 74 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kjj h ALA 74 Cb 0.63 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kjj h ALA 74 CO -0.09 0.27 0.00 -1.91 0.00 0.00 0.00 179.25 177.51 3kjj n GLU 75 N -4.60 0.02 0.00 0.00 2.13 -1.14 -1.71 120.64 115.35 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 0.06 -1.17 0.00 0.00 0.27 0.00 0.00 31.44 30.60 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 0.66 0.00 -0.33 4.31 3.02 -0.34 -3.46 115.26 119.11 3kjj n ASN 77 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.59 3kjj n ASN 77 Cb 0.01 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.37 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 1.46 0.45 7.41 0.00 -1.60 0.43 103.07 111.21 3kjj h GLY 78 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 3kjj h GLY 78 CO 0.00 0.17 -0.21 -2.08 0.00 0.00 0.00 176.54 174.42 3kjj h VAL 79 N 0.92 1.53 -0.37 4.60 2.07 -1.86 -3.10 116.25 120.04 3kjj h VAL 79 Ca 0.44 -1.86 0.07 0.00 0.82 0.00 0.00 66.70 66.17 3kjj h VAL 79 Cb 0.39 2.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.79 3kjj h VAL 79 CO -0.24 0.51 0.01 -0.25 0.02 0.00 0.00 177.57 177.61 3kjj h TRP 80 N -0.50 -0.00 -0.93 1.57 2.91 -1.80 -2.24 115.95 114.97 3kjj h TRP 80 Ca -0.02 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.06 3kjj h TRP 80 Cb 0.94 0.06 -0.06 0.00 -0.51 0.00 0.00 29.16 29.59 3kjj h TRP 80 CO 0.17 -0.06 0.60 -0.44 -1.03 0.00 0.00 178.44 177.69 3kjj h ASP 81 N 0.11 1.00 1.34 2.65 3.32 -0.24 -1.32 116.42 123.28 3kjj h ASP 81 Ca 0.18 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3kjj h ASP 81 Cb 0.25 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3kjj h ASP 81 CO -0.29 0.68 0.00 0.00 -1.72 0.00 0.00 179.24 177.91 3kjj h ALA 82 N 1.39 1.00 0.05 3.45 0.00 -1.40 -3.32 119.26 120.43 3kjj h ALA 82 Ca 0.37 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.96 3kjj h ALA 82 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3kjj h ALA 82 CO -0.13 0.00 -1.82 1.87 0.00 0.00 0.00 179.25 179.18 3kjj n TRP 83 N -2.35 0.92 -1.60 0.00 -0.00 -0.69 -4.99 117.44 108.74 3kjj n TRP 83 Ca 0.05 0.28 -0.38 0.00 -0.00 0.00 0.00 57.50 57.45 3kjj n TRP 83 Cb 0.39 -1.11 0.05 0.00 -0.00 0.00 0.00 31.31 30.64 3kjj n TRP 83 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 3kjj n VAL 84 N -3.91 3.42 -2.43 5.87 0.24 -0.58 -4.92 118.33 116.01 3kjj n VAL 84 Ca -0.36 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.02 3kjj n VAL 84 Cb 0.88 -1.12 -0.02 0.00 -1.47 0.00 0.00 33.84 32.11 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 -1.50 3.58 0.23 2.33 0.00 -1.26 -4.97 121.76 120.17 3kjj s ALA 85 Ca 0.74 0.55 -0.31 0.00 0.00 0.00 0.00 51.96 52.93 3kjj s ALA 85 Cb -0.43 -3.57 -0.11 0.00 0.00 0.00 0.00 23.12 19.00 3kjj s ALA 85 CO 0.49 -0.97 1.65 0.00 0.00 0.00 0.00 175.76 176.92 3kjj s ALA 86 N 2.86 3.84 0.00 0.00 0.00 -1.26 -1.40 121.76 125.80 3kjj s ALA 86 Ca 0.55 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.06 3kjj s ALA 86 Cb -0.23 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.22 3kjj s ALA 86 CO 0.18 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.43 3kjj n GLY 87 N 3.24 1.58 2.59 0.00 0.00 -1.26 -4.83 105.19 106.51 3kjj n GLY 87 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 2.06 -2.86 1.61 1.74 -0.49 -5.08 116.66 111.63 3kjj n ARG 88 Ca 0.00 -3.74 -0.40 0.00 -0.77 0.00 0.00 57.85 52.95 3kjj n ARG 88 Cb 0.00 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 29.73 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 -4.05 4.29 0.91 0.55 -4.23 -1.19 -4.46 115.64 107.46 3kjj s THR 89 Ca 0.35 1.89 -0.13 0.00 -1.18 0.00 0.00 61.69 62.62 3kjj s THR 89 Cb 0.43 -4.23 0.14 0.00 1.34 0.00 0.00 72.50 70.18 3kjj s THR 89 CO -0.04 0.48 1.17 -2.16 -0.54 0.00 0.00 174.62 173.53 3kjj s PRO 90 N -0.95 1.14 0.36 3.99 0.04 -1.26 -5.02 135.00 133.29 3kjj s PRO 90 Ca 0.39 0.13 -0.28 0.00 0.04 0.00 0.00 61.00 61.28 3kjj s PRO 90 Cb -0.24 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 3kjj s PRO 90 CO 0.29 -2.16 1.45 0.00 0.04 0.00 0.00 177.00 176.61 3kjj s ALA 91 N -3.42 3.57 0.00 8.56 0.00 -0.16 -4.92 121.76 125.39 3kjj s ALA 91 Ca 0.65 1.50 -0.00 0.00 0.00 0.00 0.00 51.96 54.11 3kjj s ALA 91 Cb -0.12 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.41 3kjj s ALA 91 CO 0.52 -0.96 0.00 0.50 0.00 0.00 0.00 175.76 175.83 3kjj s ARG 92 N -1.93 0.10 0.00 0.00 3.52 -1.26 -0.81 118.95 118.57 3kjj s ARG 92 Ca 0.52 -0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.98 3kjj s ARG 92 Cb -0.45 0.04 -0.00 0.00 -1.56 0.00 0.00 34.95 32.97 3kjj s ARG 92 CO 0.60 -0.02 -0.01 0.00 -0.81 0.00 0.00 175.30 175.06 3kjj s ALA 93 N -0.38 0.10 -0.08 6.12 0.00 -0.67 -4.99 121.76 121.86 3kjj s ALA 93 Ca -0.04 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.80 3kjj s ALA 93 Cb -0.03 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.11 3kjj s ALA 93 CO -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 175.76 175.69 3kjj s VAL 95 N 1.26 0.44 -0.25 0.00 -7.23 -0.30 -4.98 120.40 109.34 3kjj s VAL 95 Ca -0.04 -1.90 -0.14 0.00 -1.81 0.00 0.00 61.98 58.09 3kjj s VAL 95 Cb -0.14 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 3kjj s VAL 95 CO -0.02 -0.79 0.33 -0.70 -0.31 0.00 0.00 175.10 173.60 3kjj s GLU 96 N -3.91 4.05 -0.17 4.82 2.12 -1.26 -0.95 118.70 123.41 3kjj s GLU 96 Ca 0.14 -0.00 -0.14 0.00 0.36 0.00 0.00 54.97 55.33 3kjj s GLU 96 Cb 0.07 -3.62 0.05 0.00 0.26 0.00 0.00 34.13 30.89 3kjj s GLU 96 CO -0.04 -0.17 0.43 0.00 -0.54 0.00 0.00 175.26 174.94 3kjj s ALA 97 N 1.74 -1.08 0.47 6.30 0.00 0.84 -4.88 121.76 125.15 3kjj s ALA 97 Ca 0.14 1.33 -0.23 0.00 0.00 0.00 0.00 51.96 53.20 3kjj s ALA 97 Cb -0.15 -0.78 -0.07 0.00 0.00 0.00 0.00 23.12 22.11 3kjj s ALA 97 CO 0.09 -0.22 1.18 1.03 0.00 0.00 0.00 175.76 177.84 3kjj s ARG 98 N 0.57 3.70 0.49 0.00 0.52 -1.26 -3.30 118.95 119.67 3kjj s ARG 98 Ca -0.03 1.82 0.06 0.00 -0.52 0.00 0.00 55.73 57.06 3kjj s ARG 98 Cb -0.04 -2.39 0.01 0.00 0.52 0.00 0.00 34.95 33.04 3kjj s ARG 98 CO -0.03 -0.62 0.33 -0.51 0.02 0.00 0.00 175.30 174.49 3kjj s LEU 99 N -3.08 2.90 0.58 2.53 1.43 -1.26 -5.01 118.68 116.77 3kjj s LEU 99 Ca 0.64 -1.14 0.34 0.00 -1.03 0.00 0.00 54.13 52.95 3kjj s LEU 99 Cb -0.30 -1.38 1.81 0.00 0.03 0.00 0.00 46.19 46.35 3kjj s LEU 99 CO 0.36 -0.89 2.18 0.00 0.23 0.00 0.00 176.35 178.23 3kjj h ALA 100 N 0.97 1.18 -4.46 4.21 0.00 -1.96 -3.40 119.26 115.79 3kjj h ALA 100 Ca -0.39 -0.04 -0.67 0.00 0.00 0.00 0.00 54.91 53.81 3kjj h ALA 100 Cb 1.29 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.78 3kjj h ALA 100 CO 0.61 0.06 -0.88 1.03 0.00 0.00 0.00 179.25 180.07 3kjj s ARG 101 N -4.15 1.89 0.42 0.00 0.52 -1.26 -5.05 118.95 111.31 3kjj s ARG 101 Ca -0.03 -0.92 0.15 0.00 -0.52 0.00 0.00 55.73 54.41 3kjj s ARG 101 Cb 0.13 -1.88 0.91 0.00 0.52 0.00 0.00 34.95 34.62 3kjj s ARG 101 CO 0.52 0.51 1.91 -1.00 0.02 0.00 0.00 175.30 177.26 3kjj h PRO 102 N 5.34 0.00 0.00 3.54 0.13 -2.03 -2.34 132.00 136.63 3kjj h PRO 102 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3kjj h PRO 102 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3kjj h PRO 102 CO 0.46 0.27 0.00 -0.85 -0.23 0.00 0.00 178.00 177.66 3kjj n GLU 103 N -4.10 0.21 -2.63 0.86 0.00 -1.26 -4.70 120.64 109.02 3kjj n GLU 103 Ca -0.02 0.44 -0.43 0.00 0.00 0.00 0.00 57.16 57.15 3kjj n GLU 103 Cb 0.33 -1.90 -0.02 0.00 0.00 0.00 0.00 31.44 29.86 3kjj n GLU 103 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3kjj s TRP 104 N -3.34 3.26 -0.60 -1.84 0.51 -0.88 -4.92 118.94 111.12 3kjj s TRP 104 Ca 0.04 1.39 0.21 0.00 -2.12 0.00 0.00 56.10 55.61 3kjj s TRP 104 Cb 0.09 -3.35 -0.26 0.00 -0.81 0.00 0.00 33.47 29.14 3kjj s TRP 104 CO 0.40 -0.65 0.71 0.54 -0.51 0.00 0.00 176.95 177.44 3kjj n ARG 105 N 6.42 0.41 -3.70 4.98 1.74 -1.26 -4.62 116.66 120.63 3kjj n ARG 105 Ca 0.12 -0.07 -0.14 0.00 -0.77 0.00 0.00 57.85 56.99 3kjj n ARG 105 Cb 0.46 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.34 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 -3.13 0.01 0.00 1.55 0.11 -1.26 -2.00 120.40 115.69 3kjj s VAL 106 Ca 0.02 -0.09 -0.00 0.00 -2.93 0.00 0.00 61.98 58.98 3kjj s VAL 106 Cb 0.15 -0.70 -0.00 0.00 -1.53 0.00 0.00 36.38 34.29 3kjj s VAL 106 CO 0.85 -0.05 -0.00 -0.70 -3.33 0.00 0.00 175.10 171.87 3kjj s GLU 107 N -0.20 0.06 -0.08 1.54 2.12 -0.73 -4.24 118.70 117.16 3kjj s GLU 107 Ca -0.04 -0.11 0.02 0.00 0.36 0.00 0.00 54.97 55.20 3kjj s GLU 107 Cb -0.03 0.02 0.02 0.00 0.26 0.00 0.00 34.13 34.40 3kjj s GLU 107 CO 0.02 -0.01 -0.12 0.42 -0.54 0.00 0.00 175.26 175.04 3kjj s ILE 108 N -0.27 1.18 -0.30 -3.70 1.01 -1.26 -1.11 121.20 116.75 3kjj s ILE 108 Ca -0.03 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.09 3kjj s ILE 108 Cb -0.02 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.36 3kjj s ILE 108 CO -0.00 0.37 0.07 -0.75 0.00 0.00 0.00 174.94 174.63 3kjj s LYS 109 N 0.97 2.98 -0.08 2.79 2.47 -0.14 -4.50 119.74 124.23 3kjj s LYS 109 Ca -0.09 -0.93 0.01 0.00 -1.56 0.00 0.00 55.97 53.41 3kjj s LYS 109 Cb -0.15 -3.35 -0.03 0.00 -1.46 0.00 0.00 37.83 32.85 3kjj s LYS 109 CO -0.00 -0.48 -0.10 0.42 0.16 0.00 0.00 175.35 175.36 3kjj s ILE 110 N 1.46 3.45 -0.12 5.43 -1.09 -1.26 -1.08 121.20 127.98 3kjj s ILE 110 Ca 0.02 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 57.87 3kjj s ILE 110 Cb -0.18 -2.41 -0.02 0.00 -1.58 0.00 0.00 42.46 38.28 3kjj s ILE 110 CO 0.02 0.58 -0.13 -0.89 -1.23 0.00 0.00 174.94 173.28 3kjj s THR 111 N -0.50 3.04 0.27 2.92 2.01 -0.39 -1.46 115.64 121.53 3kjj s THR 111 Ca 0.07 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.43 3kjj s THR 111 Cb -0.12 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 3kjj s THR 111 CO 0.02 0.53 0.19 0.00 -0.69 0.00 0.00 174.62 174.67 3kjj s ALA 112 N 0.28 1.59 0.10 7.40 0.00 0.49 -1.05 121.76 130.58 3kjj s ALA 112 Ca -0.10 -1.85 0.08 0.00 0.00 0.00 0.00 51.96 50.09 3kjj s ALA 112 Cb -0.16 1.37 -0.03 0.00 0.00 0.00 0.00 23.12 24.30 3kjj s ALA 112 CO 0.05 -0.60 -0.20 0.08 0.00 0.00 0.00 175.76 175.10 3kjj s VAL 113 N -3.78 1.63 0.56 0.00 1.01 -0.15 0.67 120.40 120.35 3kjj s VAL 113 Ca 0.39 -1.54 -0.19 0.00 0.00 0.00 0.00 61.98 60.64 3kjj s VAL 113 Cb 0.05 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 3kjj s VAL 113 CO 0.19 -0.11 1.13 -0.54 0.00 0.00 0.00 175.10 175.77 3kjj s LYS 114 N -1.96 3.25 0.00 2.72 1.02 -1.16 -4.63 119.74 118.98 3kjj s LYS 114 Ca 0.06 1.58 0.10 0.00 0.02 0.00 0.00 55.97 57.73 3kjj s LYS 114 Cb -0.10 -1.99 0.61 0.00 -0.52 0.00 0.00 37.83 35.83 3kjj s LYS 114 CO 0.04 -0.93 1.05 0.54 -0.92 0.00 0.00 175.35 175.13