#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjj n HIS 0 N 0.00 0.00 0.00 1.57 -0.00 -1.26 -4.95 115.22 110.58 3kjj n HIS 0 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3kjj n HIS 0 Cb 0.00 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 29.84 3kjj n HIS 0 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3kjj n ASP 2 N 0.56 0.00 -4.70 0.26 8.00 -1.26 -4.17 116.55 115.24 3kjj n ASP 2 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 3kjj n ASP 2 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 3kjj n ASP 2 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kjj s ILE 3 N -0.69 5.12 -0.12 0.53 1.01 -1.26 -4.27 121.20 121.52 3kjj s ILE 3 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.70 3kjj s ILE 3 Cb 0.00 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 3kjj s ILE 3 CO 0.00 0.47 -0.01 -0.60 0.00 0.00 0.00 174.94 174.80 3kjj s ARG 4 N 0.21 3.27 -0.08 2.79 6.06 0.06 -4.98 118.95 126.28 3kjj s ARG 4 Ca 0.07 -0.45 0.02 0.00 -2.50 0.00 0.00 55.73 52.86 3kjj s ARG 4 Cb -0.12 -2.85 -0.02 0.00 0.06 0.00 0.00 34.95 32.02 3kjj s ARG 4 CO -0.01 0.51 -0.13 0.71 -2.50 0.00 0.00 175.30 173.89 3kjj s TYR 5 N -0.36 2.77 -0.07 5.12 2.02 -1.26 -1.00 117.35 124.58 3kjj s TYR 5 Ca 0.07 -0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.51 3kjj s TYR 5 Cb -0.12 -1.71 0.01 0.00 -0.40 0.00 0.00 41.96 39.73 3kjj s TYR 5 CO 0.02 0.08 -0.15 -0.06 -1.57 0.00 0.00 175.55 173.87 3kjj s PHE 6 N -0.39 1.67 -0.97 2.71 0.08 0.59 -4.80 117.98 116.87 3kjj s PHE 6 Ca 0.04 -0.60 -0.06 0.00 0.12 0.00 0.00 56.93 56.43 3kjj s PHE 6 Cb -0.12 -1.18 0.01 0.00 -0.57 0.00 0.00 43.02 41.16 3kjj s PHE 6 CO 0.02 -0.28 0.85 0.41 -0.10 0.00 0.00 175.22 176.13 3kjj n GLY 7 N 3.64 -0.12 3.66 4.36 0.00 -1.26 -0.83 105.19 114.64 3kjj n GLY 7 Ca -0.21 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.23 3.55 0.47 2.61 2.01 -1.26 -2.71 115.64 117.08 3kjj s THR 8 Ca 0.42 0.72 0.06 0.00 0.31 0.00 0.00 61.69 63.20 3kjj s THR 8 Cb -0.19 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 3kjj s THR 8 CO 0.52 -0.06 0.29 0.42 -0.69 0.00 0.00 174.62 175.11 3kjj s THR 9 N 3.83 2.05 -0.74 -0.82 -4.23 0.18 -4.97 115.64 110.94 3kjj s THR 9 Ca 0.73 -1.57 0.08 0.00 -1.18 0.00 0.00 61.69 59.75 3kjj s THR 9 Cb -0.34 -2.62 0.08 0.00 1.34 0.00 0.00 72.50 70.97 3kjj s THR 9 CO 0.29 0.00 1.26 -2.65 -0.54 0.00 0.00 174.62 172.99 3kjj n PRO 10 N -1.50 0.05 -0.04 3.99 -0.02 -1.26 -3.12 135.00 133.09 3kjj n PRO 10 Ca -0.02 0.52 -0.05 0.00 -2.02 0.00 0.00 63.50 61.93 3kjj n PRO 10 Cb 0.64 -1.65 -0.05 0.00 -0.02 0.00 0.00 33.50 32.42 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 -1.75 1.76 -3.59 -0.52 0.63 -1.26 -5.10 116.66 106.82 3kjj n ARG 11 Ca -0.00 0.02 -0.07 0.00 -0.92 0.00 0.00 57.85 56.88 3kjj n ARG 11 Cb 0.03 -1.20 -0.02 0.00 0.45 0.00 0.00 32.46 31.73 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 -2.19 -0.30 0.04 -0.14 -0.85 -1.18 -5.16 117.35 107.57 3kjj s TYR 12 Ca -0.08 0.08 0.03 0.00 -0.52 0.00 0.00 57.07 56.59 3kjj s TYR 12 Cb 0.03 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.92 3kjj s TYR 12 CO 0.28 -0.73 -0.03 -1.12 -1.52 0.00 0.00 175.55 172.44 3kjj s SER 13 N -2.69 4.89 0.23 -0.18 0.01 -1.26 0.51 113.70 115.20 3kjj s SER 13 Ca 0.07 -0.13 -0.03 0.00 1.31 0.00 0.00 55.95 57.17 3kjj s SER 13 Cb -0.01 -1.18 0.25 0.00 0.21 0.00 0.00 66.02 65.28 3kjj s SER 13 CO -0.05 0.24 1.68 -0.33 0.41 0.00 0.00 173.24 175.19 3kjj h GLU 14 N 4.05 0.78 -3.68 12.44 4.39 -0.77 -3.38 114.58 128.41 3kjj h GLU 14 Ca -0.48 -0.27 -0.20 0.00 0.34 0.00 0.00 59.36 58.74 3kjj h GLU 14 Cb 1.17 -0.06 -0.26 0.00 -0.10 0.00 0.00 28.75 29.50 3kjj h GLU 14 CO 0.57 0.87 -0.66 0.00 -1.16 0.00 0.00 179.01 178.63 3kjj s ALA 15 N -4.75 -0.08 -0.07 3.43 0.00 -0.52 -0.98 121.76 118.79 3kjj s ALA 15 Ca -0.09 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.85 3kjj s ALA 15 Cb 0.14 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.26 3kjj s ALA 15 CO 0.82 -0.06 -0.09 0.08 0.00 0.00 0.00 175.76 176.51 3kjj s VAL 16 N -0.37 0.94 -0.06 0.00 1.01 0.03 -0.30 120.40 121.64 3kjj s VAL 16 Ca -0.04 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.66 3kjj s VAL 16 Cb -0.03 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 3kjj s VAL 16 CO -0.00 0.32 -0.20 -0.83 0.00 0.00 0.00 175.10 174.39 3kjj s GLY 17 N 0.99 1.39 -0.15 4.51 0.00 -0.17 -0.11 107.32 113.78 3kjj s GLY 17 Ca -0.09 -1.02 -0.10 0.00 0.00 0.00 0.00 44.72 43.51 3kjj s GLY 17 CO 0.00 -0.65 0.38 0.00 0.00 0.00 0.00 173.10 172.83 3kjj s ALA 18 N -0.31 -0.94 -1.72 3.20 0.00 -0.71 -0.76 121.76 120.52 3kjj s ALA 18 Ca 0.01 1.27 -0.16 0.00 0.00 0.00 0.00 51.96 53.08 3kjj s ALA 18 Cb -0.13 -0.76 0.15 0.00 0.00 0.00 0.00 23.12 22.38 3kjj s ALA 18 CO 0.02 -0.22 0.57 -1.71 0.00 0.00 0.00 175.76 174.43 3kjj n ASN 19 N 3.66 -1.87 0.00 0.00 5.15 -1.26 -1.16 115.26 119.78 3kjj n ASN 19 Ca -0.19 -1.13 0.00 0.00 -0.60 0.00 0.00 54.58 52.65 3kjj n ASN 19 Cb 0.56 -2.21 0.00 0.00 -0.53 0.00 0.00 39.78 37.60 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 -1.50 3.21 3.85 8.20 0.00 -1.26 -5.04 105.19 112.65 3kjj n GLY 20 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 4.04 -0.07 0.99 1.43 -0.31 0.50 118.68 125.25 3kjj s LEU 21 Ca 0.00 1.24 0.02 0.00 -1.03 0.00 0.00 54.13 54.36 3kjj s LEU 21 Cb 0.00 -4.05 0.01 0.00 0.03 0.00 0.00 46.19 42.18 3kjj s LEU 21 CO 0.00 -0.23 -0.14 -0.63 0.23 0.00 0.00 176.35 175.59 3kjj s ILE 22 N -2.03 1.27 -0.23 -0.59 1.01 0.15 -1.74 121.20 119.05 3kjj s ILE 22 Ca 0.53 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 3kjj s ILE 22 Cb -0.10 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.23 3kjj s ILE 22 CO 0.19 0.39 -0.09 -0.36 0.00 0.00 0.00 174.94 175.07 3kjj s PHE 23 N 0.69 3.02 0.05 3.97 0.08 0.85 -1.04 117.98 125.59 3kjj s PHE 23 Ca -0.14 -1.57 -0.13 0.00 0.12 0.00 0.00 56.93 55.21 3kjj s PHE 23 Cb -0.16 -2.03 -0.06 0.00 -0.57 0.00 0.00 43.02 40.20 3kjj s PHE 23 CO 0.04 -0.74 0.43 -0.51 -0.10 0.00 0.00 175.22 174.33 3kjj s LEU 24 N 1.32 4.42 0.85 -0.37 1.43 -0.54 -0.79 118.68 124.99 3kjj s LEU 24 Ca 0.01 0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 53.91 3kjj s LEU 24 Cb -0.16 -2.81 0.11 0.00 0.03 0.00 0.00 46.19 43.36 3kjj s LEU 24 CO -0.06 0.25 1.19 -0.44 0.23 0.00 0.00 176.35 177.51 3kjj s SER 25 N -1.39 3.33 0.38 2.29 0.01 -0.15 -4.19 113.70 113.98 3kjj s SER 25 Ca 0.29 2.31 0.00 0.00 1.31 0.00 0.00 55.95 59.86 3kjj s SER 25 Cb -0.16 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.49 3kjj s SER 25 CO 0.16 -2.84 0.00 0.61 0.41 0.00 0.00 173.24 171.58 3kjj n GLY 26 N 0.41 -2.47 0.00 3.44 0.00 -1.26 -4.61 105.19 100.70 3kjj n GLY 26 Ca 0.13 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.78 0.00 -2.41 1.61 0.24 -1.26 -4.90 118.33 109.82 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 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 3kjj n VAL 28 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3kjj s PRO 29 N -2.00 4.46 -0.01 7.34 0.04 -1.26 -4.77 135.00 138.80 3kjj s PRO 29 Ca 0.00 1.80 0.19 0.00 0.04 0.00 0.00 61.00 63.02 3kjj s PRO 29 Cb 0.00 -3.32 -0.23 0.00 0.04 0.00 0.00 34.50 31.00 3kjj s PRO 29 CO 0.00 -0.20 0.71 0.39 0.04 0.00 0.00 177.00 177.94 3kjj n GLU 30 N 3.49 0.75 -3.88 4.56 1.02 -1.26 -4.97 120.64 120.35 3kjj n GLU 30 Ca 0.07 -0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 57.07 3kjj n GLU 30 Cb 0.46 -1.40 -0.10 0.00 -0.02 0.00 0.00 31.44 30.38 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 -3.12 0.06 0.00 1.62 0.01 -1.26 -5.15 114.94 107.10 3kjj s ASN 31 Ca 0.04 -0.29 0.00 0.00 -0.71 0.00 0.00 52.86 51.89 3kjj s ASN 31 Cb 0.14 0.21 0.00 0.00 0.41 0.00 0.00 41.25 42.01 3kjj s ASN 31 CO 0.78 -0.41 0.00 0.61 -1.51 0.00 0.00 177.10 176.57 3kjj n GLY 32 N 1.26 2.30 0.73 0.66 0.00 -1.26 -4.30 105.19 104.59 3kjj n GLY 32 Ca -0.22 -1.80 -0.06 0.00 0.00 0.00 0.00 46.02 43.94 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 1.74 0.18 -1.44 1.61 -0.58 -1.26 -4.72 120.64 116.17 3kjj n GLU 33 Ca 0.00 0.08 -0.31 0.00 -0.42 0.00 0.00 57.16 56.51 3kjj n GLU 33 Cb 0.00 -0.81 0.07 0.00 -0.57 0.00 0.00 31.44 30.13 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 -2.22 3.73 0.20 2.62 -4.23 -1.26 -4.82 115.64 109.66 3kjj s THR 34 Ca -0.11 0.56 -0.12 0.00 -1.18 0.00 0.00 61.69 60.84 3kjj s THR 34 Cb 0.03 -3.20 0.15 0.00 1.34 0.00 0.00 72.50 70.82 3kjj s THR 34 CO 0.15 -0.73 1.68 0.00 -0.54 0.00 0.00 174.62 175.18 3kjj h ALA 35 N -0.88 0.55 -0.36 3.99 0.00 -1.95 -0.39 119.26 120.22 3kjj h ALA 35 Ca -0.44 0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.67 3kjj h ALA 35 Cb 1.22 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 3kjj h ALA 35 CO 0.54 -0.37 0.09 0.00 0.00 0.00 0.00 179.25 179.52 3kjj h ALA 36 N 1.47 0.40 -0.50 0.00 0.00 -1.93 0.15 119.26 118.85 3kjj h ALA 36 Ca 0.28 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 3kjj h ALA 36 Cb 0.43 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3kjj h ALA 36 CO -0.43 -0.31 -0.08 0.93 0.00 0.00 0.00 179.25 179.36 3kjj h GLU 37 N 0.22 0.94 -0.20 0.00 5.08 -1.83 -2.76 114.58 116.03 3kjj h GLU 37 Ca 0.17 -0.34 -0.19 0.00 -1.00 0.00 0.00 59.36 58.00 3kjj h GLU 37 Cb 0.18 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3kjj h GLU 37 CO -0.21 1.00 -0.63 1.96 -1.00 0.00 0.00 179.01 180.13 3kjj h GLN 38 N 0.80 0.72 -0.02 2.33 4.20 -0.79 -2.66 115.11 119.69 3kjj h GLN 38 Ca 0.13 -0.51 0.00 0.00 0.06 0.00 0.00 58.65 58.34 3kjj h GLN 38 Cb 0.63 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 3kjj h GLN 38 CO 0.04 1.13 0.01 1.15 -0.67 0.00 0.00 178.83 180.49 3kjj h THR 39 N 0.53 1.01 -0.56 -0.54 2.02 -0.69 -0.03 112.91 114.65 3kjj h THR 39 Ca -0.01 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 67.21 3kjj h THR 39 Cb 1.23 0.99 -0.06 0.00 -1.74 0.00 0.00 68.15 68.57 3kjj h THR 39 CO 0.13 0.01 0.25 0.00 0.37 0.00 0.00 175.52 176.28 3kjj h ALA 40 N 1.00 0.72 -0.74 6.16 0.00 -1.51 0.16 119.26 125.05 3kjj h ALA 40 Ca 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kjj h ALA 40 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3kjj h ALA 40 CO -0.00 -0.12 0.42 0.22 0.00 0.00 0.00 179.25 179.77 3kjj h ASP 41 N 0.47 0.91 -0.32 0.00 3.58 -1.21 0.98 116.42 120.83 3kjj h ASP 41 Ca 0.26 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 3kjj h ASP 41 Cb 0.24 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3kjj h ASP 41 CO -0.22 0.73 0.12 0.58 -2.88 0.00 0.00 179.24 177.57 3kjj h VAL 42 N 1.02 1.19 -0.21 2.25 2.07 -0.27 -2.18 116.25 120.11 3kjj h VAL 42 Ca 0.26 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 3kjj h VAL 42 Cb 0.01 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3kjj h VAL 42 CO -0.04 0.20 -0.27 -0.07 0.02 0.00 0.00 177.57 177.41 3kjj h LEU 43 N 0.37 0.41 -0.67 2.57 3.38 -0.49 -2.00 115.31 118.88 3kjj h LEU 43 Ca 0.11 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3kjj h LEU 43 Cb 0.20 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3kjj h LEU 43 CO -0.01 0.68 0.32 0.00 0.09 0.00 0.00 178.44 179.52 3kjj h ALA 44 N 1.35 0.86 -0.12 1.53 0.00 -0.66 -1.06 119.26 121.17 3kjj h ALA 44 Ca 0.05 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3kjj h ALA 44 Cb 0.67 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3kjj h ALA 44 CO 0.05 0.43 -0.02 1.96 0.00 0.00 0.00 179.25 181.66 3kjj h GLN 45 N 0.92 0.01 -0.55 0.00 4.20 -1.06 -2.27 115.11 116.37 3kjj h GLN 45 Ca 0.23 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.01 3kjj h GLN 45 Cb 0.12 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.85 3kjj h GLN 45 CO -0.03 0.01 0.24 0.82 -0.67 0.00 0.00 178.83 179.19 3kjj h ILE 46 N 0.01 0.86 -0.50 2.54 2.04 -1.10 -0.87 117.51 120.49 3kjj h ILE 46 Ca 0.06 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.83 3kjj h ILE 46 Cb 0.08 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 3kjj h ILE 46 CO -0.11 0.08 0.17 0.44 0.00 0.00 0.00 178.15 178.73 3kjj h ASP 47 N 0.44 0.16 0.06 1.72 3.32 -1.00 -0.39 116.42 120.73 3kjj h ASP 47 Ca 0.26 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 3kjj h ASP 47 Cb 0.25 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3kjj h ASP 47 CO -0.23 0.12 -0.03 0.03 -1.72 0.00 0.00 179.24 177.41 3kjj h ARG 48 N 0.34 -0.07 -0.36 3.56 2.47 -0.69 -1.18 114.38 118.44 3kjj h ARG 48 Ca 0.24 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.82 3kjj h ARG 48 Cb 0.27 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 3kjj h ARG 48 CO -0.26 -0.01 -0.36 -1.49 0.56 0.00 0.00 179.97 178.42 3kjj h TRP 49 N -0.12 1.01 -0.67 3.04 4.06 -1.04 -1.30 115.95 120.92 3kjj h TRP 49 Ca -0.01 -0.29 0.01 0.00 2.06 0.00 0.00 58.89 60.67 3kjj h TRP 49 Cb 0.10 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 28.01 3kjj h TRP 49 CO -0.06 1.08 0.44 -0.07 -3.56 0.00 0.00 178.44 176.27 3kjj h LEU 50 N 0.70 0.75 -0.43 -4.49 3.38 -1.03 -1.33 115.31 112.87 3kjj h LEU 50 Ca 0.06 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kjj h LEU 50 Cb 0.93 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3kjj h LEU 50 CO 0.09 0.54 0.25 0.00 0.09 0.00 0.00 178.44 179.41 3kjj h ALA 51 N 1.26 0.55 -0.34 1.53 0.00 -1.02 0.27 119.26 121.51 3kjj h ALA 51 Ca 0.25 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.16 3kjj h ALA 51 Cb -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3kjj h ALA 51 CO -0.07 0.05 0.23 0.93 0.00 0.00 0.00 179.25 180.40 3kjj h GLU 52 N 0.57 0.17 -0.46 0.00 5.08 -0.83 -2.18 114.58 116.93 3kjj h GLU 52 Ca 0.15 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3kjj h GLU 52 Cb 0.02 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3kjj h GLU 52 CO -0.03 0.11 0.00 0.00 -1.00 0.00 0.00 179.01 178.10 3kjj n GLY 54 N 1.26 0.21 0.00 0.00 0.00 -0.82 -4.76 105.19 101.07 3kjj n GLY 54 Ca 0.16 -0.45 0.00 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 0.19 0.56 -2.99 1.61 2.88 0.90 -2.42 113.62 114.35 3kjj n SER 55 Ca -0.05 -0.91 -0.05 0.00 -1.33 0.00 0.00 58.87 56.53 3kjj n SER 55 Cb 0.55 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.03 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 -2.22 -1.92 0.27 -3.46 3.85 -1.26 -3.37 116.55 108.43 3kjj n ASP 56 Ca 0.00 -2.18 0.13 0.00 -0.71 0.00 0.00 54.79 52.03 3kjj n ASP 56 Cb 0.00 3.17 0.76 0.00 -1.35 0.00 0.00 41.12 43.69 3kjj n ASP 56 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 3kjj h LYS 57 N 0.00 0.00 0.00 0.11 2.10 -1.93 -0.99 116.57 115.86 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 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3kjj h LYS 57 CO 0.38 0.10 0.00 0.00 -2.00 0.00 0.00 179.45 177.92 3kjj n ALA 58 N -2.30 2.40 -1.85 0.07 0.00 -1.26 -3.28 120.51 114.29 3kjj n ALA 58 Ca -0.02 -0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.33 3kjj n ALA 58 Cb 0.20 -1.42 0.14 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.13 0.00 -2.88 0.00 8.25 -0.38 -4.96 115.22 114.11 3kjj n HIS 59 Ca 0.16 -1.13 -0.41 0.00 -0.26 0.00 0.00 57.72 56.09 3kjj n HIS 59 Cb 0.14 -0.21 -0.04 0.00 1.12 0.00 0.00 29.99 31.01 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 -2.16 4.96 -0.09 1.59 1.01 -1.20 -1.59 120.40 122.91 3kjj s VAL 60 Ca 0.35 1.74 -0.13 0.00 0.00 0.00 0.00 61.98 63.95 3kjj s VAL 60 Cb 0.36 -4.18 -0.28 0.00 0.00 0.00 0.00 36.38 32.28 3kjj s VAL 60 CO -0.09 0.21 0.55 -0.07 0.00 0.00 0.00 175.10 175.70 3kjj h LEU 61 N 6.76 0.46 -7.46 3.92 3.38 -1.06 -3.40 115.31 117.91 3kjj h LEU 61 Ca -0.41 -0.89 -0.14 0.00 0.09 0.00 0.00 57.88 56.53 3kjj h LEU 61 Cb 1.21 -0.15 -0.23 0.00 0.09 0.00 0.00 40.66 41.58 3kjj h LEU 61 CO 0.75 1.72 -0.33 -0.62 0.09 0.00 0.00 178.44 180.05 3kjj s ASP 62 N -7.12 -0.27 -0.04 -0.43 2.15 -0.70 -1.43 116.67 108.84 3kjj s ASP 62 Ca -0.19 0.42 -0.01 0.00 0.43 0.00 0.00 52.55 53.20 3kjj s ASP 62 Cb 0.05 0.52 0.03 0.00 -0.30 0.00 0.00 42.92 43.23 3kjj s ASP 62 CO 0.79 -0.23 0.06 0.00 -0.17 0.00 0.00 175.17 175.62 3kjj s ALA 63 N -0.39 0.11 -0.20 3.66 0.00 0.19 -1.65 121.76 123.47 3kjj s ALA 63 Ca -0.05 0.30 -0.07 0.00 0.00 0.00 0.00 51.96 52.14 3kjj s ALA 63 Cb -0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 3kjj s ALA 63 CO 0.02 -0.33 0.05 0.08 0.00 0.00 0.00 175.76 175.58 3kjj s VAL 64 N 1.69 4.52 -0.21 0.00 1.01 -0.05 -2.04 120.40 125.31 3kjj s VAL 64 Ca -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 3kjj s VAL 64 Cb -0.12 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 3kjj s VAL 64 CO -0.03 0.43 -0.07 -0.63 0.00 0.00 0.00 175.10 174.80 3kjj s ILE 65 N 0.73 3.21 -0.17 2.22 1.01 0.37 -0.63 121.20 127.94 3kjj s ILE 65 Ca 0.03 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 3kjj s ILE 65 Cb -0.14 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 3kjj s ILE 65 CO 0.02 0.44 0.00 -0.31 0.00 0.00 0.00 174.94 175.10 3kjj s TYR 66 N 1.37 3.11 -0.08 3.97 2.02 -0.04 -1.15 117.35 126.54 3kjj s TYR 66 Ca 0.04 -0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.60 3kjj s TYR 66 Cb -0.14 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.39 3kjj s TYR 66 CO -0.04 0.03 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.32 3kjj s LEU 67 N 0.39 2.76 0.31 -1.29 1.43 -0.51 -1.27 118.68 120.51 3kjj s LEU 67 Ca -0.01 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 3kjj s LEU 67 Cb -0.14 -1.58 0.61 0.00 0.03 0.00 0.00 46.19 45.11 3kjj s LEU 67 CO 0.02 0.29 1.88 -0.09 0.23 0.00 0.00 176.35 178.68 3kjj h ARG 68 N 5.78 0.90 0.00 1.70 2.43 -1.42 -0.73 114.38 123.04 3kjj h ARG 68 Ca -0.40 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3kjj h ARG 68 Cb 1.17 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3kjj h ARG 68 CO 0.52 0.60 0.00 -3.47 -1.51 0.00 0.00 179.97 176.11 3kjj n ASP 69 N -4.54 0.00 0.00 -3.80 4.64 -1.26 -4.48 116.55 107.11 3kjj n ASP 69 Ca 0.16 -0.16 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3kjj n ASP 69 Cb 0.30 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.38 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 0.66 0.27 0.00 -1.26 -4.40 105.19 100.46 3kjj n GLY 71 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 1.99 0.07 1.61 8.00 -1.26 -4.61 116.55 122.34 3kjj n ASP 72 Ca 0.00 -1.74 -0.13 0.00 0.71 0.00 0.00 54.79 53.63 3kjj n ASP 72 Cb 0.00 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 40.93 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 2.70 -0.99 -0.52 1.24 3.20 -2.01 -2.85 116.97 117.74 3kjj h TYR 73 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3kjj h TYR 73 Cb 0.59 0.43 -0.03 0.00 1.54 0.00 0.00 36.73 39.27 3kjj h TYR 73 CO 0.11 -0.45 0.34 0.00 -1.64 0.00 0.00 178.16 176.53 3kjj h ALA 74 N 0.13 0.66 0.00 1.82 0.00 -1.99 -0.81 119.26 119.07 3kjj h ALA 74 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kjj h ALA 74 Cb 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kjj h ALA 74 CO -0.28 0.11 0.00 -1.91 0.00 0.00 0.00 179.25 177.17 3kjj n GLU 75 N -4.72 0.02 0.00 0.00 2.13 -1.08 -1.50 120.64 115.49 3kjj n GLU 75 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3kjj n GLU 75 Cb 0.02 -1.04 0.00 0.00 0.27 0.00 0.00 31.44 30.69 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 -0.19 4.31 3.02 -0.31 -3.48 115.26 119.13 3kjj n ASN 77 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 3kjj n ASN 77 Cb 0.01 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 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 0.45 0.67 7.41 0.00 -1.52 0.58 103.07 110.66 3kjj h GLY 78 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 3kjj h GLY 78 CO 0.00 -0.22 -0.18 -2.08 0.00 0.00 0.00 176.54 174.06 3kjj h VAL 79 N 0.02 1.39 -0.25 4.60 2.07 -1.85 -3.18 116.25 119.04 3kjj h VAL 79 Ca 0.28 -1.46 0.06 0.00 0.82 0.00 0.00 66.70 66.40 3kjj h VAL 79 Cb 0.44 2.11 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 3kjj h VAL 79 CO -0.58 0.42 -0.13 -0.25 0.02 0.00 0.00 177.57 177.04 3kjj h TRP 80 N -0.15 -0.31 -0.80 1.57 2.91 -1.79 -2.10 115.95 115.27 3kjj h TRP 80 Ca 0.00 0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.07 3kjj h TRP 80 Cb 0.76 0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 29.55 3kjj h TRP 80 CO 0.11 -0.19 0.53 -0.44 -1.03 0.00 0.00 178.44 177.41 3kjj h ASP 81 N -0.10 0.89 0.77 2.65 3.32 0.10 -1.42 116.42 122.63 3kjj h ASP 81 Ca 0.13 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.00 3kjj h ASP 81 Cb 0.30 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3kjj h ASP 81 CO -0.31 0.63 -0.80 0.00 -1.72 0.00 0.00 179.24 177.04 3kjj h ALA 82 N 1.51 0.68 0.02 3.45 0.00 -1.50 -3.34 119.26 120.07 3kjj h ALA 82 Ca 0.31 -0.72 -0.19 0.00 0.00 0.00 0.00 54.91 54.31 3kjj h ALA 82 Cb -0.05 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.63 3kjj h ALA 82 CO -0.08 0.98 -0.75 2.35 0.00 0.00 0.00 179.25 181.75 3kjj h TRP 83 N 0.01 0.72 -3.67 0.00 7.01 -0.79 -3.47 115.95 115.76 3kjj h TRP 83 Ca -0.01 -0.40 -0.56 0.00 2.11 0.00 0.00 58.89 60.02 3kjj h TRP 83 Cb 1.41 -0.08 0.14 0.00 -2.10 0.00 0.00 29.16 28.54 3kjj h TRP 83 CO 0.00 1.24 0.38 1.33 -2.79 0.00 0.00 178.44 178.60 3kjj n VAL 84 N -4.11 3.39 -2.38 2.65 0.24 -0.59 -4.93 118.33 112.60 3kjj n VAL 84 Ca -0.11 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.26 3kjj n VAL 84 Cb 0.75 -1.42 -0.02 0.00 -1.47 0.00 0.00 33.84 31.67 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 -1.34 3.33 0.29 2.33 0.00 -1.26 -4.98 121.76 120.13 3kjj s ALA 85 Ca 0.70 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 52.50 3kjj s ALA 85 Cb -0.45 -3.79 -0.13 0.00 0.00 0.00 0.00 23.12 18.74 3kjj s ALA 85 CO 0.51 -1.83 1.30 0.00 0.00 0.00 0.00 175.76 175.74 3kjj n ALA 86 N 7.80 1.03 -0.13 0.00 0.00 -1.26 -0.97 120.51 126.98 3kjj n ALA 86 Ca 0.15 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3kjj n ALA 86 Cb 0.46 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 1.39 1.94 2.32 0.00 0.00 -1.26 -4.79 105.19 104.79 3kjj n GLY 87 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 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 2.21 -2.70 1.61 1.74 -0.14 -5.08 116.66 112.30 3kjj n ARG 88 Ca 0.00 -3.59 -0.41 0.00 -0.77 0.00 0.00 57.85 53.08 3kjj n ARG 88 Cb 0.00 -1.70 -0.05 0.00 -1.02 0.00 0.00 32.46 29.69 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 -3.72 4.23 0.76 0.55 -4.23 -1.17 -4.58 115.64 107.48 3kjj s THR 89 Ca 0.36 2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 62.78 3kjj s THR 89 Cb 0.36 -4.28 0.07 0.00 1.34 0.00 0.00 72.50 70.00 3kjj s THR 89 CO -0.03 0.38 1.10 -2.16 -0.54 0.00 0.00 174.62 173.37 3kjj s PRO 90 N -0.53 2.03 0.34 3.99 0.04 -1.26 -5.02 135.00 134.60 3kjj s PRO 90 Ca 0.45 -0.11 -0.29 0.00 0.04 0.00 0.00 61.00 61.10 3kjj s PRO 90 Cb -0.25 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 32.11 3kjj s PRO 90 CO 0.32 -1.44 1.46 0.00 0.04 0.00 0.00 177.00 177.38 3kjj n ALA 91 N -3.13 2.08 -2.93 8.56 0.00 -0.51 -4.88 120.51 119.70 3kjj n ALA 91 Ca 0.08 0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.77 3kjj n ALA 91 Cb 0.61 -2.38 -0.13 0.00 0.00 0.00 0.00 19.45 17.55 3kjj n ALA 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kjj s ARG 92 N -1.57 0.13 -0.01 0.00 3.52 -1.26 -0.64 118.95 119.12 3kjj s ARG 92 Ca 0.57 -0.14 0.01 0.00 -0.13 0.00 0.00 55.73 56.04 3kjj s ARG 92 Cb -0.51 0.05 0.01 0.00 -1.56 0.00 0.00 34.95 32.93 3kjj s ARG 92 CO 0.59 -0.02 -0.02 0.00 -0.81 0.00 0.00 175.30 175.04 3kjj s ALA 93 N -0.42 0.26 -0.16 6.12 0.00 -0.87 -4.99 121.76 121.70 3kjj s ALA 93 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.87 3kjj s ALA 93 Cb -0.03 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.99 3kjj s ALA 93 CO -0.00 0.03 -0.12 0.00 0.00 0.00 0.00 175.76 175.67 3kjj s VAL 95 N 1.51 1.05 -0.24 0.00 -7.23 -0.30 -4.99 120.40 110.19 3kjj s VAL 95 Ca 0.03 -1.86 -0.21 0.00 -1.81 0.00 0.00 61.98 58.13 3kjj s VAL 95 Cb -0.14 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 3kjj s VAL 95 CO -0.10 -0.66 0.64 -0.70 -0.31 0.00 0.00 175.10 173.98 3kjj s GLU 96 N -3.30 4.13 -0.15 4.82 2.12 -1.26 -1.42 118.70 123.63 3kjj s GLU 96 Ca 0.11 0.59 -0.12 0.00 0.36 0.00 0.00 54.97 55.91 3kjj s GLU 96 Cb 0.00 -3.64 0.05 0.00 0.26 0.00 0.00 34.13 30.80 3kjj s GLU 96 CO 0.00 -0.39 0.39 0.00 -0.54 0.00 0.00 175.26 174.72 3kjj s ALA 97 N 2.43 -0.98 0.39 6.30 0.00 -0.28 -4.91 121.76 124.71 3kjj s ALA 97 Ca 0.27 1.24 -0.26 0.00 0.00 0.00 0.00 51.96 53.22 3kjj s ALA 97 Cb -0.16 -0.74 -0.09 0.00 0.00 0.00 0.00 23.12 22.14 3kjj s ALA 97 CO 0.09 -0.21 1.21 1.03 0.00 0.00 0.00 175.76 177.88 3kjj s ARG 98 N 0.65 4.07 0.57 0.00 0.52 -1.26 -3.51 118.95 119.99 3kjj s ARG 98 Ca -0.04 1.95 0.08 0.00 -0.52 0.00 0.00 55.73 57.20 3kjj s ARG 98 Cb -0.05 -2.75 0.08 0.00 0.52 0.00 0.00 34.95 32.75 3kjj s ARG 98 CO -0.04 -0.34 0.62 1.28 0.02 0.00 0.00 175.30 176.84 3kjj n LEU 99 N 0.18 0.00 -0.18 2.53 4.77 -1.26 -5.02 117.00 118.02 3kjj n LEU 99 Ca 0.04 -2.72 0.03 0.00 -0.03 0.00 0.00 56.01 53.33 3kjj n LEU 99 Cb 0.45 -0.24 0.31 0.00 -2.33 0.00 0.00 43.42 41.60 3kjj n LEU 99 CO 0.53 -0.66 1.22 0.00 -1.33 0.00 0.00 177.39 177.15 3kjj h ALA 100 N 0.38 1.58 -4.18 -1.18 0.00 -1.96 -3.41 119.26 110.49 3kjj h ALA 100 Ca -0.31 -0.04 -0.69 0.00 0.00 0.00 0.00 54.91 53.87 3kjj h ALA 100 Cb 1.28 -0.25 -0.25 0.00 0.00 0.00 0.00 17.79 18.57 3kjj h ALA 100 CO 0.47 0.35 -0.81 1.03 0.00 0.00 0.00 179.25 180.29 3kjj s ARG 101 N -5.75 2.30 0.45 0.00 1.81 -1.26 -5.04 118.95 111.47 3kjj s ARG 101 Ca -0.10 -0.82 0.13 0.00 -1.72 0.00 0.00 55.73 53.22 3kjj s ARG 101 Cb 0.18 -2.25 1.02 0.00 -0.45 0.00 0.00 34.95 33.45 3kjj s ARG 101 CO 0.77 0.59 2.03 -1.00 -0.68 0.00 0.00 175.30 177.01 3kjj h PRO 102 N 5.22 0.10 0.00 3.54 0.13 -2.03 -2.17 132.00 136.79 3kjj h PRO 102 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3kjj h PRO 102 Cb 1.14 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3kjj h PRO 102 CO 0.49 0.19 0.00 0.93 -0.23 0.00 0.00 178.00 179.38 3kjj h GLU 103 N 0.10 0.00 -6.16 0.86 3.07 -1.96 -3.44 114.58 107.05 3kjj h GLU 103 Ca 0.02 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.31 3kjj h GLU 103 Cb 0.21 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.08 3kjj h GLU 103 CO 0.01 0.00 0.82 -1.58 -1.40 0.00 0.00 179.01 176.86 3kjj s TRP 104 N -3.21 3.09 -0.76 4.33 0.51 -0.82 -4.91 118.94 117.17 3kjj s TRP 104 Ca 0.08 1.22 0.16 0.00 -2.12 0.00 0.00 56.10 55.44 3kjj s TRP 104 Cb 0.11 -3.40 -0.18 0.00 -0.81 0.00 0.00 33.47 29.19 3kjj s TRP 104 CO 0.51 -1.18 0.69 0.54 -0.51 0.00 0.00 176.95 177.01 3kjj n ARG 105 N 6.19 1.53 -3.73 4.98 1.74 -1.26 -4.59 116.66 121.51 3kjj n ARG 105 Ca 0.13 -0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.08 3kjj n ARG 105 Cb 0.46 -1.28 -0.10 0.00 -1.02 0.00 0.00 32.46 30.51 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 -2.57 -0.01 -0.03 1.55 0.11 -1.26 -1.91 120.40 116.28 3kjj s VAL 106 Ca 0.06 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.14 3kjj s VAL 106 Cb 0.12 -0.56 0.01 0.00 -1.53 0.00 0.00 36.38 34.42 3kjj s VAL 106 CO 0.68 0.01 -0.05 -0.70 -3.33 0.00 0.00 175.10 171.71 3kjj s GLU 107 N 0.47 0.69 -0.09 1.54 2.12 -0.39 -4.15 118.70 118.89 3kjj s GLU 107 Ca -0.02 -0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.21 3kjj s GLU 107 Cb -0.04 -0.70 0.00 0.00 0.26 0.00 0.00 34.13 33.65 3kjj s GLU 107 CO -0.02 -0.01 -0.21 0.42 -0.54 0.00 0.00 175.26 174.90 3kjj s ILE 108 N 0.57 1.79 -0.23 -3.70 1.01 -1.26 -0.86 121.20 118.51 3kjj s ILE 108 Ca -0.07 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.69 3kjj s ILE 108 Cb -0.11 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.81 3kjj s ILE 108 CO -0.00 0.50 -0.05 -0.75 0.00 0.00 0.00 174.94 174.64 3kjj s LYS 109 N 0.44 3.15 -0.06 2.79 2.36 0.20 -4.47 119.74 124.14 3kjj s LYS 109 Ca -0.18 -0.77 0.02 0.00 -2.55 0.00 0.00 55.97 52.49 3kjj s LYS 109 Cb -0.17 -2.99 -0.03 0.00 -1.05 0.00 0.00 37.83 33.59 3kjj s LYS 109 CO 0.07 -0.28 -0.10 0.42 1.55 0.00 0.00 175.35 177.01 3kjj s ILE 110 N 1.42 3.42 -0.06 5.43 -1.09 -1.26 -0.87 121.20 128.19 3kjj s ILE 110 Ca 0.04 -0.58 0.05 0.00 -2.23 0.00 0.00 60.65 57.93 3kjj s ILE 110 Cb -0.15 -2.38 -0.01 0.00 -1.58 0.00 0.00 42.46 38.34 3kjj s ILE 110 CO -0.04 0.59 -0.23 -0.89 -1.23 0.00 0.00 174.94 173.15 3kjj s THR 111 N -0.76 2.28 0.30 2.92 2.01 -0.66 -1.47 115.64 120.27 3kjj s THR 111 Ca 0.12 -0.99 -0.05 0.00 0.31 0.00 0.00 61.69 61.08 3kjj s THR 111 Cb -0.11 -1.85 -0.00 0.00 0.01 0.00 0.00 72.50 70.55 3kjj s THR 111 CO 0.01 0.57 0.43 0.00 -0.69 0.00 0.00 174.62 174.94 3kjj s ALA 112 N -0.20 0.57 -0.02 7.40 0.00 -0.21 -0.42 121.76 128.89 3kjj s ALA 112 Ca -0.02 -1.38 0.07 0.00 0.00 0.00 0.00 51.96 50.63 3kjj s ALA 112 Cb -0.13 1.16 -0.02 0.00 0.00 0.00 0.00 23.12 24.13 3kjj s ALA 112 CO 0.03 -0.78 -0.24 0.14 0.00 0.00 0.00 175.76 174.91 3kjj s VAL 113 N -3.43 1.90 -0.19 0.00 -7.23 -0.62 0.33 120.40 111.17 3kjj s VAL 113 Ca 0.30 -1.04 -0.29 0.00 -1.81 0.00 0.00 61.98 59.13 3kjj s VAL 113 Cb 0.00 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.34 3kjj s VAL 113 CO 0.17 0.53 1.40 -0.75 -0.31 0.00 0.00 175.10 176.13 3kjj s LYS 114 N -0.60 4.07 0.47 4.82 2.20 0.18 -4.66 119.74 126.22 3kjj s LYS 114 Ca 0.09 1.66 -0.24 0.00 -0.36 0.00 0.00 55.97 57.12 3kjj s LYS 114 Cb -0.09 -3.88 -0.08 0.00 -1.51 0.00 0.00 37.83 32.27 3kjj s LYS 114 CO -0.01 -0.93 1.31 0.54 -0.36 0.00 0.00 175.35 175.90 3kjj n ARG 115 N 7.04 1.88 -1.55 4.03 1.74 -1.02 -4.96 116.66 123.83 3kjj n ARG 115 Ca 0.16 0.68 -0.30 0.00 -0.77 0.00 0.00 57.85 57.61 3kjj n ARG 115 Cb 0.45 -2.47 0.10 0.00 -1.02 0.00 0.00 32.46 29.52 3kjj n ARG 115 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kjj s ASP 116 N -0.65 4.30 0.00 0.55 -0.00 -1.26 -4.97 116.67 114.64 3kjj s ASP 116 Ca 0.64 1.25 0.09 0.00 -0.00 0.00 0.00 52.55 54.53 3kjj s ASP 116 Cb -0.47 -1.95 0.54 0.00 -0.00 0.00 0.00 42.92 41.04 3kjj s ASP 116 CO 0.55 -2.08 0.99 0.00 -0.00 0.00 0.00 175.17 174.63