#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 -4.73 4.39 9.92 -1.26 -4.16 116.55 120.71 3kjj n ASP 2 Ca 0.00 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.90 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 5.30 -0.12 0.53 1.01 -1.26 -4.31 121.20 122.35 3kjj s ILE 3 Ca 0.00 0.55 -0.01 0.00 0.00 0.00 0.00 60.65 61.19 3kjj s ILE 3 Cb 0.00 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 3kjj s ILE 3 CO 0.00 0.39 -0.09 -0.60 0.00 0.00 0.00 174.94 174.64 3kjj s ARG 4 N 0.45 3.34 -0.06 2.79 3.52 0.64 -4.98 118.95 124.64 3kjj s ARG 4 Ca 0.17 -0.60 -0.00 0.00 -0.13 0.00 0.00 55.73 55.16 3kjj s ARG 4 Cb -0.13 -2.71 -0.03 0.00 -1.56 0.00 0.00 34.95 30.51 3kjj s ARG 4 CO 0.04 0.32 -0.03 0.71 -0.81 0.00 0.00 175.30 175.53 3kjj s TYR 5 N 0.10 3.05 -0.05 5.12 2.02 -1.26 0.14 117.35 126.46 3kjj s TYR 5 Ca -0.03 0.10 0.04 0.00 -0.37 0.00 0.00 57.07 56.80 3kjj s TYR 5 Cb -0.14 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 3kjj s TYR 5 CO 0.04 0.41 -0.15 -0.06 -1.57 0.00 0.00 175.55 174.21 3kjj s PHE 6 N -0.88 1.60 -1.13 2.71 0.08 0.10 -4.85 117.98 115.61 3kjj s PHE 6 Ca 0.14 -0.49 -0.04 0.00 0.12 0.00 0.00 56.93 56.66 3kjj s PHE 6 Cb -0.11 -1.10 -0.03 0.00 -0.57 0.00 0.00 43.02 41.20 3kjj s PHE 6 CO 0.03 -0.19 0.94 0.41 -0.10 0.00 0.00 175.22 176.31 3kjj n GLY 7 N 3.32 -0.77 3.71 4.36 0.00 -1.26 -1.21 105.19 113.34 3kjj n GLY 7 Ca -0.19 0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.40 4.85 0.35 2.61 2.01 -1.26 -2.41 115.64 118.39 3kjj s THR 8 Ca 0.24 2.03 0.09 0.00 0.31 0.00 0.00 61.69 64.36 3kjj s THR 8 Cb -0.04 -4.31 -0.06 0.00 0.01 0.00 0.00 72.50 68.11 3kjj s THR 8 CO 0.74 0.18 -0.06 0.42 -0.69 0.00 0.00 174.62 175.21 3kjj s THR 9 N 0.92 2.35 -0.47 -0.82 -4.23 0.99 -4.99 115.64 109.39 3kjj s THR 9 Ca 0.51 -2.13 0.10 0.00 -1.18 0.00 0.00 61.69 58.99 3kjj s THR 9 Cb -0.21 -2.71 0.10 0.00 1.34 0.00 0.00 72.50 71.02 3kjj s THR 9 CO 0.28 -0.19 1.26 -2.65 -0.54 0.00 0.00 174.62 172.78 3kjj n PRO 10 N -0.85 0.07 -0.09 3.99 -0.02 -1.26 -2.91 135.00 133.92 3kjj n PRO 10 Ca -0.05 0.53 -0.13 0.00 -2.02 0.00 0.00 63.50 61.84 3kjj n PRO 10 Cb 0.63 -1.80 -0.09 0.00 -0.02 0.00 0.00 33.50 32.23 3kjj n PRO 10 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3kjj n ARG 11 N -1.84 0.47 -3.72 -0.52 0.63 -1.26 -5.10 116.66 105.32 3kjj n ARG 11 Ca -0.01 0.11 -0.09 0.00 -0.92 0.00 0.00 57.85 56.94 3kjj n ARG 11 Cb 0.10 -1.37 -0.03 0.00 0.45 0.00 0.00 32.46 31.61 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 -2.37 -0.22 -0.04 -0.14 -0.85 -1.15 -5.16 117.35 107.43 3kjj s TYR 12 Ca -0.25 -0.14 0.02 0.00 -0.52 0.00 0.00 57.07 56.18 3kjj s TYR 12 Cb 0.06 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.91 3kjj s TYR 12 CO 0.43 -1.02 -0.07 -1.12 -1.52 0.00 0.00 175.55 172.25 3kjj s SER 13 N -2.87 4.60 0.34 -0.18 0.01 -1.26 -0.01 113.70 114.34 3kjj s SER 13 Ca 0.09 -0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.31 3kjj s SER 13 Cb -0.03 -1.11 0.63 0.00 0.21 0.00 0.00 66.02 65.72 3kjj s SER 13 CO -0.01 0.33 1.90 -0.33 0.41 0.00 0.00 173.24 175.55 3kjj h GLU 14 N 4.98 0.56 -3.42 12.44 4.39 -0.80 -3.36 114.58 129.38 3kjj h GLU 14 Ca -0.48 -0.10 -0.14 0.00 0.34 0.00 0.00 59.36 58.98 3kjj h GLU 14 Cb 1.17 -0.09 -0.20 0.00 -0.10 0.00 0.00 28.75 29.53 3kjj h GLU 14 CO 0.53 0.54 -0.44 0.00 -1.16 0.00 0.00 179.01 178.47 3kjj s ALA 15 N -5.09 -0.42 -0.06 3.43 0.00 -0.71 -0.95 121.76 117.95 3kjj s ALA 15 Ca -0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 3kjj s ALA 15 Cb 0.16 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.42 3kjj s ALA 15 CO 0.76 -0.23 0.00 0.08 0.00 0.00 0.00 175.76 176.37 3kjj s VAL 16 N -1.47 0.32 -0.10 0.00 1.01 0.20 0.03 120.40 120.38 3kjj s VAL 16 Ca -0.14 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 3kjj s VAL 16 Cb -0.07 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 3kjj s VAL 16 CO 0.02 0.23 -0.03 -0.83 0.00 0.00 0.00 175.10 174.49 3kjj s GLY 17 N 1.74 1.77 -0.23 4.51 0.00 0.12 -0.96 107.32 114.28 3kjj s GLY 17 Ca 0.01 -0.83 -0.12 0.00 0.00 0.00 0.00 44.72 43.78 3kjj s GLY 17 CO -0.04 -0.42 0.54 0.00 0.00 0.00 0.00 173.10 173.18 3kjj s ALA 18 N -0.45 -1.47 -1.49 3.20 0.00 -0.72 -0.26 121.76 120.57 3kjj s ALA 18 Ca 0.07 1.96 -0.07 0.00 0.00 0.00 0.00 51.96 53.92 3kjj s ALA 18 Cb -0.12 -1.23 0.06 0.00 0.00 0.00 0.00 23.12 21.83 3kjj s ALA 18 CO 0.02 -0.39 0.66 -1.71 0.00 0.00 0.00 175.76 174.34 3kjj n ASN 19 N 4.45 -2.06 0.00 0.00 5.15 -1.26 -1.58 115.26 119.97 3kjj n ASN 19 Ca -0.20 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 52.85 3kjj n ASN 19 Cb 0.56 -3.30 0.00 0.00 -0.53 0.00 0.00 39.78 36.51 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 -1.73 2.89 3.88 8.20 0.00 -1.26 -5.02 105.19 112.16 3kjj n GLY 20 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 3.96 -0.03 0.99 1.43 -0.61 -1.22 118.68 123.20 3kjj s LEU 21 Ca 0.00 0.97 -0.01 0.00 -1.03 0.00 0.00 54.13 54.06 3kjj s LEU 21 Cb 0.00 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.43 3kjj s LEU 21 CO 0.00 -0.28 0.04 -0.63 0.23 0.00 0.00 176.35 175.71 3kjj s ILE 22 N -2.18 -0.05 -0.19 -0.59 1.01 0.48 -1.76 121.20 117.92 3kjj s ILE 22 Ca 0.48 0.32 -0.03 0.00 0.00 0.00 0.00 60.65 61.42 3kjj s ILE 22 Cb -0.11 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.20 3kjj s ILE 22 CO 0.29 0.15 -0.05 -0.36 0.00 0.00 0.00 174.94 174.97 3kjj s PHE 23 N 1.70 2.97 -0.02 3.97 0.08 -0.13 -0.27 117.98 126.27 3kjj s PHE 23 Ca -0.01 -0.63 -0.05 0.00 0.12 0.00 0.00 56.93 56.36 3kjj s PHE 23 Cb -0.12 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.26 3kjj s PHE 23 CO -0.03 -0.30 0.21 -0.51 -0.10 0.00 0.00 175.22 174.49 3kjj s LEU 24 N 0.92 4.38 0.91 -0.37 1.43 -0.44 -0.63 118.68 124.88 3kjj s LEU 24 Ca -0.00 0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 53.44 3kjj s LEU 24 Cb -0.15 -2.54 0.09 0.00 0.03 0.00 0.00 46.19 43.63 3kjj s LEU 24 CO 0.01 0.29 0.86 -1.20 0.23 0.00 0.00 176.35 176.53 3kjj n SER 25 N 1.22 -0.54 -3.60 2.29 7.64 -0.13 -4.17 113.62 116.33 3kjj n SER 25 Ca -0.13 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.17 3kjj n SER 25 Cb 0.53 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 3kjj n SER 25 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kjj n GLY 26 N 0.81 -2.87 0.00 0.23 0.00 -1.26 -4.62 105.19 97.48 3kjj n GLY 26 Ca 0.10 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.74 0.00 -2.35 1.61 0.24 -1.26 -4.90 118.33 110.93 3kjj n VAL 28 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.92 3kjj n VAL 28 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 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 4.15 0.00 7.34 0.02 -1.26 -4.74 135.00 138.51 3kjj s PRO 29 Ca 0.00 1.79 0.09 0.00 0.02 0.00 0.00 61.00 62.90 3kjj s PRO 29 Cb 0.00 -2.73 -0.05 0.00 0.02 0.00 0.00 34.50 31.75 3kjj s PRO 29 CO 0.00 -0.22 0.49 0.39 -0.33 0.00 0.00 177.00 177.33 3kjj n GLU 30 N 0.20 3.12 -3.80 5.54 1.02 -1.26 -5.03 120.64 120.42 3kjj n GLU 30 Ca 0.04 -0.29 -0.09 0.00 -0.02 0.00 0.00 57.16 56.79 3kjj n GLU 30 Cb 0.47 -0.99 -0.07 0.00 -0.02 0.00 0.00 31.44 30.84 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 -1.55 0.03 0.00 1.62 0.01 -1.26 -5.15 114.94 108.63 3kjj s ASN 31 Ca 0.05 -0.56 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 3kjj s ASN 31 Cb 0.07 0.37 0.00 0.00 0.41 0.00 0.00 41.25 42.10 3kjj s ASN 31 CO 0.29 -0.76 0.00 0.61 -1.51 0.00 0.00 177.10 175.74 3kjj n GLY 32 N -0.08 -1.36 0.00 0.66 0.00 -1.26 -4.21 105.19 98.94 3kjj n GLY 32 Ca -0.15 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.95 0.72 -2.02 1.61 0.28 -1.26 -4.73 120.64 114.30 3kjj n GLU 33 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 3kjj n GLU 33 Cb 0.00 -0.95 -0.00 0.00 1.43 0.00 0.00 31.44 31.91 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 -1.91 4.65 0.25 3.84 -4.23 -1.26 -4.87 115.64 112.11 3kjj s THR 34 Ca 0.00 0.98 -0.04 0.00 -1.18 0.00 0.00 61.69 61.45 3kjj s THR 34 Cb 0.00 -3.82 0.21 0.00 1.34 0.00 0.00 72.50 70.24 3kjj s THR 34 CO 0.00 -1.01 1.76 0.00 -0.54 0.00 0.00 174.62 174.83 3kjj h ALA 35 N 0.04 1.12 0.24 3.99 0.00 -1.95 -1.10 119.26 121.60 3kjj h ALA 35 Ca -0.45 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3kjj h ALA 35 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kjj h ALA 35 CO 0.62 -0.11 -0.11 0.00 0.00 0.00 0.00 179.25 179.64 3kjj h ALA 36 N 1.52 -0.32 -0.40 0.00 0.00 -1.93 0.67 119.26 118.79 3kjj h ALA 36 Ca 0.41 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.27 3kjj h ALA 36 Cb 0.56 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 3kjj h ALA 36 CO -0.34 -0.62 0.07 0.93 0.00 0.00 0.00 179.25 179.29 3kjj h GLU 37 N -0.45 0.19 -0.34 0.00 5.08 -1.89 -1.23 114.58 115.93 3kjj h GLU 37 Ca -0.03 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3kjj h GLU 37 Cb 0.34 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3kjj h GLU 37 CO 0.05 0.12 -0.04 1.96 -1.00 0.00 0.00 179.01 180.11 3kjj h GLN 38 N 0.19 0.62 -0.31 2.33 4.20 -1.11 -0.87 115.11 120.16 3kjj h GLN 38 Ca 0.19 -0.22 0.04 0.00 0.06 0.00 0.00 58.65 58.72 3kjj h GLN 38 Cb 0.24 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 3kjj h GLN 38 CO -0.27 0.77 0.10 1.15 -0.67 0.00 0.00 178.83 179.92 3kjj h THR 39 N 0.42 0.90 -0.60 -0.54 2.02 -0.76 0.56 112.91 114.90 3kjj h THR 39 Ca 0.09 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 67.26 3kjj h THR 39 Cb 0.52 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 3kjj h THR 39 CO 0.03 0.04 0.29 0.00 0.37 0.00 0.00 175.52 176.24 3kjj h ALA 40 N 1.21 0.79 -0.35 6.16 0.00 -1.08 -0.40 119.26 125.59 3kjj h ALA 40 Ca 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3kjj h ALA 40 Cb 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3kjj h ALA 40 CO -0.15 -0.09 0.17 0.22 0.00 0.00 0.00 179.25 179.40 3kjj h ASP 41 N 0.53 0.45 -0.59 0.00 3.58 -0.62 -2.17 116.42 117.61 3kjj h ASP 41 Ca 0.28 -0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.56 3kjj h ASP 41 Cb 0.26 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 3kjj h ASP 41 CO -0.23 0.45 0.15 0.58 -2.88 0.00 0.00 179.24 177.31 3kjj h VAL 42 N 0.43 1.25 -0.28 2.25 2.07 -0.59 -2.17 116.25 119.20 3kjj h VAL 42 Ca 0.12 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 3kjj h VAL 42 Cb 0.11 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3kjj h VAL 42 CO -0.02 0.33 -0.13 -0.07 0.02 0.00 0.00 177.57 177.70 3kjj h LEU 43 N 0.84 0.47 -0.65 2.57 3.38 -0.98 -1.47 115.31 119.46 3kjj h LEU 43 Ca 0.18 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 3kjj h LEU 43 Cb 0.33 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3kjj h LEU 43 CO 0.00 0.63 -0.27 0.00 0.09 0.00 0.00 178.44 178.89 3kjj h ALA 44 N 1.42 0.83 -0.69 1.53 0.00 -1.17 -1.30 119.26 119.88 3kjj h ALA 44 Ca 0.08 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3kjj h ALA 44 Cb 0.50 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3kjj h ALA 44 CO 0.03 0.64 0.35 1.96 0.00 0.00 0.00 179.25 182.23 3kjj h GLN 45 N 0.66 0.98 -0.49 0.00 4.20 -0.93 -2.39 115.11 117.15 3kjj h GLN 45 Ca 0.08 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.67 3kjj h GLN 45 Cb 0.79 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 3kjj h GLN 45 CO 0.07 0.76 0.31 0.82 -0.67 0.00 0.00 178.83 180.12 3kjj h ILE 46 N 0.96 1.09 -0.16 2.54 2.04 -0.94 -0.88 117.51 122.15 3kjj h ILE 46 Ca 0.24 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.93 3kjj h ILE 46 Cb 0.09 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 3kjj h ILE 46 CO -0.03 0.12 -0.17 0.44 0.00 0.00 0.00 178.15 178.50 3kjj h ASP 47 N 0.63 -0.53 -0.26 1.72 3.32 -1.06 -0.59 116.42 119.65 3kjj h ASP 47 Ca 0.19 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 3kjj h ASP 47 Cb -0.03 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3kjj h ASP 47 CO -0.06 -0.21 0.10 0.03 -1.72 0.00 0.00 179.24 177.38 3kjj h ARG 48 N -0.20 0.39 -0.47 3.56 3.08 -1.10 -1.61 114.38 118.04 3kjj h ARG 48 Ca 0.11 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 3kjj h ARG 48 Cb 0.36 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3kjj h ARG 48 CO -0.28 0.43 -0.11 -1.49 -1.07 0.00 0.00 179.97 177.44 3kjj h TRP 49 N 0.27 0.96 -0.54 3.04 4.06 -1.05 -2.49 115.95 120.21 3kjj h TRP 49 Ca 0.09 -0.19 -0.00 0.00 2.06 0.00 0.00 58.89 60.85 3kjj h TRP 49 Cb 0.18 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 28.07 3kjj h TRP 49 CO -0.01 0.93 0.33 -0.07 -3.56 0.00 0.00 178.44 176.06 3kjj h LEU 50 N 0.78 0.64 -0.98 -4.49 3.38 -0.97 -2.12 115.31 111.55 3kjj h LEU 50 Ca 0.13 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.15 3kjj h LEU 50 Cb 0.63 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 3kjj h LEU 50 CO 0.04 0.50 0.61 0.00 0.09 0.00 0.00 178.44 179.69 3kjj h ALA 51 N 1.17 1.44 -0.37 1.53 0.00 -1.18 0.33 119.26 122.17 3kjj h ALA 51 Ca 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kjj h ALA 51 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3kjj h ALA 51 CO -0.04 0.26 0.17 0.93 0.00 0.00 0.00 179.25 180.58 3kjj h GLU 52 N 1.01 0.51 -0.21 0.00 4.39 -0.94 -2.40 114.58 116.94 3kjj h GLU 52 Ca 0.47 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.11 3kjj h GLU 52 Cb 0.40 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3kjj h GLU 52 CO -0.24 0.41 0.00 0.00 -1.16 0.00 0.00 179.01 178.01 3kjj n GLY 54 N 1.22 0.44 0.00 0.00 0.00 -0.79 -4.76 105.19 101.29 3kjj n GLY 54 Ca 0.17 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.37 0.44 -3.53 1.61 2.88 0.10 -1.75 113.62 113.74 3kjj n SER 55 Ca -0.01 -0.94 -0.01 0.00 -1.33 0.00 0.00 58.87 56.57 3kjj n SER 55 Cb 0.53 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.00 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 -0.89 -0.02 0.44 -3.46 1.47 -1.26 -3.22 116.67 109.73 3kjj s ASP 56 Ca 0.00 -0.49 0.30 0.00 1.18 0.00 0.00 52.55 53.54 3kjj s ASP 56 Cb 0.00 0.39 1.33 0.00 -0.34 0.00 0.00 42.92 44.30 3kjj s ASP 56 CO 0.00 -0.76 1.90 0.07 0.68 0.00 0.00 175.17 177.06 3kjj h LYS 57 N 2.00 0.00 -0.14 2.11 2.10 -1.93 0.68 116.57 121.39 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 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3kjj h LYS 57 CO 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.78 3kjj n ALA 58 N -1.94 2.53 -1.52 0.07 0.00 -1.26 -3.36 120.51 115.03 3kjj n ALA 58 Ca 0.01 -0.40 0.07 0.00 0.00 0.00 0.00 53.44 53.11 3kjj n ALA 58 Cb 0.23 -1.12 0.14 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.72 0.00 8.25 0.23 -5.00 115.22 115.99 3kjj n HIS 59 Ca 0.14 -1.04 -0.42 0.00 -0.26 0.00 0.00 57.72 56.15 3kjj n HIS 59 Cb 0.24 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 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 -2.42 4.81 -0.17 1.59 1.01 -1.21 -1.61 120.40 122.40 3kjj s VAL 60 Ca 0.31 2.04 -0.12 0.00 0.00 0.00 0.00 61.98 64.21 3kjj s VAL 60 Cb 0.30 -4.31 -0.23 0.00 0.00 0.00 0.00 36.38 32.14 3kjj s VAL 60 CO -0.03 0.19 0.26 0.18 0.00 0.00 0.00 175.10 175.70 3kjj n LEU 61 N 3.68 2.33 -3.81 3.92 4.77 0.31 -4.41 117.00 123.80 3kjj n LEU 61 Ca 0.05 0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 56.19 3kjj n LEU 61 Cb 0.51 -1.04 -0.12 0.00 -2.33 0.00 0.00 43.42 40.43 3kjj n LEU 61 CO 0.52 0.63 -0.16 -0.62 -1.33 0.00 0.00 177.39 176.42 3kjj s ASP 62 N -6.97 -0.19 -0.03 -1.43 2.15 -0.97 -0.61 116.67 108.61 3kjj s ASP 62 Ca -0.26 0.36 -0.00 0.00 0.43 0.00 0.00 52.55 53.08 3kjj s ASP 62 Cb 0.07 0.38 0.03 0.00 -0.30 0.00 0.00 42.92 43.09 3kjj s ASP 62 CO 0.68 -0.07 0.02 0.00 -0.17 0.00 0.00 175.17 175.64 3kjj s ALA 63 N 0.07 0.28 -0.22 3.66 0.00 0.18 -1.53 121.76 124.21 3kjj s ALA 63 Ca -0.00 0.17 -0.05 0.00 0.00 0.00 0.00 51.96 52.08 3kjj s ALA 63 Cb -0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 3kjj s ALA 63 CO 0.00 -0.23 -0.00 0.08 0.00 0.00 0.00 175.76 175.61 3kjj s VAL 64 N 1.43 3.81 -0.24 0.00 1.01 0.03 -1.94 120.40 124.51 3kjj s VAL 64 Ca -0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 3kjj s VAL 64 Cb -0.13 -2.74 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 3kjj s VAL 64 CO -0.03 0.41 -0.01 -0.63 0.00 0.00 0.00 175.10 174.84 3kjj s ILE 65 N 1.31 3.51 -0.19 2.22 1.01 -0.14 -0.51 121.20 128.42 3kjj s ILE 65 Ca 0.04 -0.55 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 3kjj s ILE 65 Cb -0.15 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 3kjj s ILE 65 CO 0.00 0.33 0.19 -0.31 0.00 0.00 0.00 174.94 175.16 3kjj s TYR 66 N 1.48 3.42 -0.11 3.97 2.02 0.24 -1.69 117.35 126.68 3kjj s TYR 66 Ca 0.05 0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 57.15 3kjj s TYR 66 Cb -0.15 -2.24 -0.03 0.00 -0.40 0.00 0.00 41.96 39.15 3kjj s TYR 66 CO -0.02 0.25 -0.06 -0.51 -1.57 0.00 0.00 175.55 173.64 3kjj s LEU 67 N 0.48 3.16 0.42 -1.29 1.43 -0.37 -1.64 118.68 120.88 3kjj s LEU 67 Ca 0.11 -0.09 0.10 0.00 -1.03 0.00 0.00 54.13 53.23 3kjj s LEU 67 Cb -0.12 -1.72 0.94 0.00 0.03 0.00 0.00 46.19 45.32 3kjj s LEU 67 CO 0.01 0.27 2.01 -0.09 0.23 0.00 0.00 176.35 178.78 3kjj h ARG 68 N 5.91 0.48 0.00 1.70 2.43 -1.28 0.16 114.38 123.77 3kjj h ARG 68 Ca -0.40 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3kjj h ARG 68 Cb 1.18 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3kjj h ARG 68 CO 0.56 0.32 0.00 -3.47 -1.51 0.00 0.00 179.97 175.87 3kjj n ASP 69 N -4.47 0.00 0.00 -3.80 4.64 -1.26 -4.56 116.55 107.09 3kjj n ASP 69 Ca 0.07 -0.45 0.00 0.00 -1.38 0.00 0.00 54.79 53.03 3kjj n ASP 69 Cb 0.24 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.32 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 0.00 0.00 1.10 0.27 0.00 -1.26 -4.36 105.19 100.94 3kjj n GLY 71 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 3.19 0.24 1.61 8.00 -1.26 -4.62 116.55 123.72 3kjj n ASP 72 Ca 0.00 -2.07 -0.16 0.00 0.71 0.00 0.00 54.79 53.27 3kjj n ASP 72 Cb 0.00 -0.41 -0.08 0.00 -0.02 0.00 0.00 41.12 40.61 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 3.29 -1.04 -0.71 1.24 3.20 -2.01 -3.11 116.97 117.82 3kjj h TYR 73 Ca 0.00 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.89 3kjj h TYR 73 Cb 0.85 0.40 -0.04 0.00 1.54 0.00 0.00 36.73 39.48 3kjj h TYR 73 CO 0.42 -0.54 0.47 0.00 -1.64 0.00 0.00 178.16 176.88 3kjj h ALA 74 N -0.40 0.91 0.00 1.82 0.00 -1.99 0.39 119.26 119.99 3kjj h ALA 74 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kjj h ALA 74 Cb 0.71 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kjj h ALA 74 CO -0.06 0.31 0.00 -1.91 0.00 0.00 0.00 179.25 177.59 3kjj n GLU 75 N -4.60 0.27 0.00 0.00 2.13 -1.18 -0.64 120.64 116.62 3kjj n GLU 75 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 3kjj n GLU 75 Cb 0.03 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 30.56 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 0.46 0.00 -0.26 4.31 3.02 0.13 -3.48 115.26 119.43 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 0.08 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.38 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 0.72 0.73 7.41 0.00 -1.14 0.41 103.07 111.21 3kjj h GLY 78 Ca 0.00 0.18 -0.17 0.00 0.00 0.00 0.00 47.33 47.34 3kjj h GLY 78 CO 0.00 -0.30 -0.72 -2.08 0.00 0.00 0.00 176.54 173.44 3kjj h VAL 79 N 0.05 1.47 -0.25 4.60 2.07 -1.84 -3.05 116.25 119.30 3kjj h VAL 79 Ca 0.40 -2.33 0.06 0.00 0.82 0.00 0.00 66.70 65.65 3kjj h VAL 79 Cb 0.67 2.93 -0.07 0.00 -1.52 0.00 0.00 31.29 33.30 3kjj h VAL 79 CO -0.74 0.67 -0.23 -0.25 0.02 0.00 0.00 177.57 177.04 3kjj h TRP 80 N -0.25 -0.59 -0.77 1.57 2.91 -1.78 -2.23 115.95 114.81 3kjj h TRP 80 Ca -0.11 0.04 0.05 0.00 1.13 0.00 0.00 58.89 59.99 3kjj h TRP 80 Cb 1.49 0.30 -0.05 0.00 -0.51 0.00 0.00 29.16 30.40 3kjj h TRP 80 CO 0.17 -0.30 0.50 -0.44 -1.03 0.00 0.00 178.44 177.35 3kjj h ASP 81 N -0.23 0.78 1.42 2.65 3.32 -0.25 -0.47 116.42 123.64 3kjj h ASP 81 Ca 0.14 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3kjj h ASP 81 Cb 0.44 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3kjj h ASP 81 CO -0.38 0.52 0.00 0.00 -1.72 0.00 0.00 179.24 177.66 3kjj h ALA 82 N 1.56 1.00 0.06 3.45 0.00 -1.39 -3.34 119.26 120.61 3kjj h ALA 82 Ca 0.32 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.89 3kjj h ALA 82 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3kjj h ALA 82 CO -0.10 0.00 -1.90 1.87 0.00 0.00 0.00 179.25 179.12 3kjj n TRP 83 N -2.65 0.92 -1.49 0.00 -0.00 -0.28 -4.99 117.44 108.95 3kjj n TRP 83 Ca 0.04 0.26 -0.36 0.00 -0.00 0.00 0.00 57.50 57.43 3kjj n TRP 83 Cb 0.40 -1.11 0.07 0.00 -0.00 0.00 0.00 31.31 30.68 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 -3.79 3.43 -2.84 5.87 0.24 -0.64 -4.96 118.33 115.64 3kjj n VAL 84 Ca -0.36 -0.43 -0.41 0.00 -2.04 0.00 0.00 64.34 61.10 3kjj n VAL 84 Cb 0.92 -1.17 -0.04 0.00 -1.47 0.00 0.00 33.84 32.09 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 -1.66 3.41 0.25 2.33 0.00 -1.26 -5.00 121.76 119.83 3kjj s ALA 85 Ca 0.76 0.21 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 3kjj s ALA 85 Cb -0.37 -3.25 -0.11 0.00 0.00 0.00 0.00 23.12 19.40 3kjj s ALA 85 CO 0.48 -0.48 1.52 0.00 0.00 0.00 0.00 175.76 177.27 3kjj s ALA 86 N 1.72 3.70 0.00 0.00 0.00 -1.26 -1.01 121.76 124.90 3kjj s ALA 86 Ca 0.42 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.81 3kjj s ALA 86 Cb -0.18 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.34 3kjj s ALA 86 CO 0.17 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.51 3kjj n GLY 87 N 2.45 0.85 2.63 0.00 0.00 -1.26 -4.82 105.19 105.04 3kjj n GLY 87 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 2.01 -3.06 1.61 1.74 -0.18 -5.10 116.66 111.68 3kjj n ARG 88 Ca 0.00 -3.63 -0.38 0.00 -0.77 0.00 0.00 57.85 53.07 3kjj n ARG 88 Cb 0.00 -1.67 -0.06 0.00 -1.02 0.00 0.00 32.46 29.71 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 -3.89 4.48 0.73 0.55 -4.23 -1.18 -4.51 115.64 107.59 3kjj s THR 89 Ca 0.33 1.49 -0.08 0.00 -1.18 0.00 0.00 61.69 62.25 3kjj s THR 89 Cb 0.38 -4.00 0.06 0.00 1.34 0.00 0.00 72.50 70.29 3kjj s THR 89 CO -0.02 0.40 1.05 -2.16 -0.54 0.00 0.00 174.62 173.35 3kjj s PRO 90 N -1.48 2.16 0.41 3.99 0.04 -1.26 -5.02 135.00 133.84 3kjj s PRO 90 Ca 0.38 -0.16 -0.27 0.00 0.04 0.00 0.00 61.00 60.99 3kjj s PRO 90 Cb -0.20 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.12 3kjj s PRO 90 CO 0.23 -1.31 1.47 0.00 0.04 0.00 0.00 177.00 177.43 3kjj s ALA 91 N -3.32 3.43 0.00 8.56 0.00 0.22 -4.89 121.76 125.77 3kjj s ALA 91 Ca 0.60 1.54 -0.01 0.00 0.00 0.00 0.00 51.96 54.09 3kjj s ALA 91 Cb -0.11 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 3kjj s ALA 91 CO 0.46 -1.14 0.02 0.50 0.00 0.00 0.00 175.76 175.59 3kjj s ARG 92 N -2.27 0.22 -0.01 0.00 3.52 -1.26 -0.65 118.95 118.50 3kjj s ARG 92 Ca 0.57 -0.31 -0.03 0.00 -0.13 0.00 0.00 55.73 55.83 3kjj s ARG 92 Cb -0.46 0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.02 3kjj s ARG 92 CO 0.61 -0.04 0.06 0.00 -0.81 0.00 0.00 175.30 175.12 3kjj s ALA 93 N -0.83 -0.13 -0.12 6.12 0.00 -0.82 -4.98 121.76 121.00 3kjj s ALA 93 Ca -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 3kjj s ALA 93 Cb -0.06 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.07 3kjj s ALA 93 CO -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 175.76 175.63 3kjj s VAL 95 N 1.79 1.37 -0.19 0.00 -7.23 -0.68 -5.00 120.40 110.45 3kjj s VAL 95 Ca 0.04 -2.11 -0.17 0.00 -1.81 0.00 0.00 61.98 57.92 3kjj s VAL 95 Cb -0.13 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 3kjj s VAL 95 CO -0.07 -0.56 0.46 -0.70 -0.31 0.00 0.00 175.10 173.92 3kjj s GLU 96 N -3.74 4.20 -0.18 4.82 2.12 -1.26 -1.24 118.70 123.42 3kjj s GLU 96 Ca 0.22 0.32 -0.15 0.00 0.36 0.00 0.00 54.97 55.72 3kjj s GLU 96 Cb 0.02 -3.54 0.05 0.00 0.26 0.00 0.00 34.13 30.93 3kjj s GLU 96 CO 0.06 -0.06 0.48 0.00 -0.54 0.00 0.00 175.26 175.19 3kjj s ALA 97 N 1.37 -1.21 0.41 6.30 0.00 0.55 -4.88 121.76 124.30 3kjj s ALA 97 Ca 0.22 1.45 -0.25 0.00 0.00 0.00 0.00 51.96 53.39 3kjj s ALA 97 Cb -0.15 -0.85 -0.08 0.00 0.00 0.00 0.00 23.12 22.03 3kjj s ALA 97 CO 0.09 -0.24 1.16 1.03 0.00 0.00 0.00 175.76 177.80 3kjj s ARG 98 N 0.54 4.00 0.55 0.00 0.52 -1.26 -3.15 118.95 120.16 3kjj s ARG 98 Ca -0.02 1.80 0.07 0.00 -0.52 0.00 0.00 55.73 57.06 3kjj s ARG 98 Cb -0.04 -2.61 0.06 0.00 0.52 0.00 0.00 34.95 32.87 3kjj s ARG 98 CO -0.03 -0.35 0.56 -0.51 0.02 0.00 0.00 175.30 174.99 3kjj s LEU 99 N -2.61 2.90 0.61 2.53 1.43 -1.26 -5.01 118.68 117.28 3kjj s LEU 99 Ca 0.58 -1.06 0.39 0.00 -1.03 0.00 0.00 54.13 53.01 3kjj s LEU 99 Cb -0.30 -1.41 1.95 0.00 0.03 0.00 0.00 46.19 46.46 3kjj s LEU 99 CO 0.37 -1.18 2.21 0.00 0.23 0.00 0.00 176.35 177.97 3kjj h ALA 100 N 0.53 1.04 -4.27 4.21 0.00 -1.97 -3.41 119.26 115.39 3kjj h ALA 100 Ca -0.34 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.01 3kjj h ALA 100 Cb 1.30 -0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.80 3kjj h ALA 100 CO 0.50 0.02 -0.83 1.03 0.00 0.00 0.00 179.25 179.96 3kjj s ARG 101 N -3.99 1.41 0.47 0.00 0.52 -1.26 -5.06 118.95 111.05 3kjj s ARG 101 Ca -0.03 -0.68 0.15 0.00 -0.52 0.00 0.00 55.73 54.66 3kjj s ARG 101 Cb 0.12 -1.39 1.10 0.00 0.52 0.00 0.00 34.95 35.30 3kjj s ARG 101 CO 0.48 0.38 2.05 -1.00 0.02 0.00 0.00 175.30 177.22 3kjj h PRO 102 N 5.57 0.00 0.00 3.54 0.13 -2.02 -2.81 132.00 136.41 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 0.12 0.00 1.05 -0.23 0.00 0.00 178.00 179.42 3kjj h GLU 103 N 0.00 0.00 -6.33 0.86 9.09 -1.97 -3.44 114.58 112.80 3kjj h GLU 103 Ca -0.00 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.86 3kjj h GLU 103 Cb 0.22 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.31 3kjj h GLU 103 CO 0.02 0.00 0.79 -1.58 0.05 0.00 0.00 179.01 178.29 3kjj s TRP 104 N -3.16 2.96 -0.42 2.06 0.51 -1.06 -4.90 118.94 114.93 3kjj s TRP 104 Ca 0.09 0.98 0.15 0.00 -2.12 0.00 0.00 56.10 55.20 3kjj s TRP 104 Cb 0.11 -3.56 -0.20 0.00 -0.81 0.00 0.00 33.47 29.01 3kjj s TRP 104 CO 0.56 -1.97 0.52 0.54 -0.51 0.00 0.00 176.95 176.09 3kjj n ARG 105 N 5.44 1.35 -3.76 4.98 1.74 -1.26 -4.65 116.66 120.49 3kjj n ARG 105 Ca 0.12 -0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 57.01 3kjj n ARG 105 Cb 0.45 -1.28 -0.11 0.00 -1.02 0.00 0.00 32.46 30.50 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 -2.71 0.01 -0.01 1.55 0.11 -1.26 -1.74 120.40 116.36 3kjj s VAL 106 Ca 0.01 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 3kjj s VAL 106 Cb 0.11 -0.47 0.01 0.00 -1.53 0.00 0.00 36.38 34.49 3kjj s VAL 106 CO 0.63 -0.03 -0.01 -0.70 -3.33 0.00 0.00 175.10 171.67 3kjj s GLU 107 N 0.03 0.13 -0.08 1.54 2.12 -0.65 -4.28 118.70 117.51 3kjj s GLU 107 Ca -0.01 -0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.34 3kjj s GLU 107 Cb -0.03 -0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.19 3kjj s GLU 107 CO 0.01 -0.01 -0.18 0.42 -0.54 0.00 0.00 175.26 174.96 3kjj s ILE 108 N 0.20 1.57 -0.21 -3.70 1.01 -1.26 -0.60 121.20 118.22 3kjj s ILE 108 Ca -0.02 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 3kjj s ILE 108 Cb -0.03 -1.38 0.01 0.00 0.01 0.00 0.00 42.46 41.06 3kjj s ILE 108 CO -0.01 0.45 -0.11 -0.75 0.00 0.00 0.00 174.94 174.53 3kjj s LYS 109 N 0.42 3.10 -0.09 2.79 2.20 0.34 -4.45 119.74 124.05 3kjj s LYS 109 Ca -0.14 -0.78 0.03 0.00 -0.36 0.00 0.00 55.97 54.71 3kjj s LYS 109 Cb -0.16 -2.83 -0.02 0.00 -1.51 0.00 0.00 37.83 33.32 3kjj s LYS 109 CO 0.06 -0.25 -0.17 0.42 -0.36 0.00 0.00 175.35 175.05 3kjj s ILE 110 N 1.37 2.74 -0.11 5.43 -1.09 -1.26 -0.79 121.20 127.50 3kjj s ILE 110 Ca 0.04 -0.80 0.01 0.00 -2.23 0.00 0.00 60.65 57.67 3kjj s ILE 110 Cb -0.14 -2.09 -0.02 0.00 -1.58 0.00 0.00 42.46 38.63 3kjj s ILE 110 CO -0.07 0.56 -0.13 -0.89 -1.23 0.00 0.00 174.94 173.17 3kjj s THR 111 N -0.08 3.09 0.29 2.92 2.01 -0.58 -1.32 115.64 121.97 3kjj s THR 111 Ca -0.03 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.31 3kjj s THR 111 Cb -0.14 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 3kjj s THR 111 CO 0.04 0.54 0.31 0.00 -0.69 0.00 0.00 174.62 174.82 3kjj s ALA 112 N 0.07 1.26 0.08 7.40 0.00 0.63 -0.53 121.76 130.67 3kjj s ALA 112 Ca -0.05 -1.76 0.07 0.00 0.00 0.00 0.00 51.96 50.23 3kjj s ALA 112 Cb -0.15 1.35 -0.03 0.00 0.00 0.00 0.00 23.12 24.29 3kjj s ALA 112 CO 0.04 -0.69 -0.20 0.14 0.00 0.00 0.00 175.76 175.06 3kjj s VAL 113 N -3.57 1.60 0.75 0.00 -7.23 -0.64 -0.39 120.40 110.93 3kjj s VAL 113 Ca 0.36 -1.39 -0.14 0.00 -1.81 0.00 0.00 61.98 59.00 3kjj s VAL 113 Cb 0.03 -1.44 0.05 0.00 0.56 0.00 0.00 36.38 35.58 3kjj s VAL 113 CO 0.21 -0.00 1.19 -0.54 -0.31 0.00 0.00 175.10 175.64 3kjj s LYS 114 N -1.65 2.02 0.00 4.82 1.02 -0.36 -4.66 119.74 120.94 3kjj s LYS 114 Ca 0.05 1.70 0.22 0.00 0.02 0.00 0.00 55.97 57.96 3kjj s LYS 114 Cb -0.10 -1.83 1.32 0.00 -0.52 0.00 0.00 37.83 36.70 3kjj s LYS 114 CO 0.03 -1.91 1.69 0.54 -0.92 0.00 0.00 175.35 174.78