#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjk s ILE 3 N 0.00 4.24 -0.07 0.53 1.01 -1.26 -3.27 121.20 122.38 3kjk s ILE 3 Ca 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.48 3kjk s ILE 3 Cb 0.00 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 3kjk s ILE 3 CO 0.00 0.43 -0.21 -0.13 0.00 0.00 0.00 174.94 175.03 3kjk s ARG 4 N 0.87 2.67 -0.07 2.79 0.52 -0.74 -4.99 118.95 120.00 3kjk s ARG 4 Ca 0.02 -0.82 -0.00 0.00 -0.52 0.00 0.00 55.73 54.40 3kjk s ARG 4 Cb -0.14 -2.29 -0.03 0.00 0.52 0.00 0.00 34.95 33.01 3kjk s ARG 4 CO 0.02 0.42 -0.03 0.71 0.02 0.00 0.00 175.30 176.44 3kjk s TYR 5 N -0.22 3.05 -0.06 -0.53 2.02 -1.26 -0.63 117.35 119.71 3kjk s TYR 5 Ca -0.01 0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 3kjk s TYR 5 Cb -0.13 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 3kjk s TYR 5 CO 0.03 0.40 -0.16 -0.06 -1.57 0.00 0.00 175.55 174.19 3kjk s PHE 6 N -0.86 1.74 -1.23 2.71 0.08 0.30 -4.79 117.98 115.94 3kjk s PHE 6 Ca 0.13 -0.60 -0.02 0.00 0.12 0.00 0.00 56.93 56.56 3kjk s PHE 6 Cb -0.11 -1.21 0.00 0.00 -0.57 0.00 0.00 43.02 41.13 3kjk s PHE 6 CO 0.02 -0.26 1.03 0.41 -0.10 0.00 0.00 175.22 176.33 3kjk n GLY 7 N 3.49 -0.40 3.71 4.36 0.00 -1.26 -1.40 105.19 113.70 3kjk n GLY 7 Ca -0.20 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3kjk n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kjk s THR 8 N -3.35 3.48 0.47 2.61 2.01 -1.26 -2.35 115.64 117.26 3kjk s THR 8 Ca 0.14 1.02 0.05 0.00 0.31 0.00 0.00 61.69 63.22 3kjk s THR 8 Cb -0.06 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 3kjk s THR 8 CO 0.72 0.06 0.17 0.42 -0.69 0.00 0.00 174.62 175.30 3kjk s THR 9 N 1.47 1.81 -0.21 -0.82 -4.23 0.12 -4.98 115.64 108.80 3kjk s THR 9 Ca 0.64 -1.76 0.25 0.00 -1.18 0.00 0.00 61.69 59.64 3kjk s THR 9 Cb -0.35 -2.57 0.26 0.00 1.34 0.00 0.00 72.50 71.18 3kjk s THR 9 CO 0.29 0.00 1.77 -0.65 -0.54 0.00 0.00 174.62 175.49 3kjk h PRO 10 N 1.28 0.00 0.00 3.99 0.11 -2.05 -3.26 132.00 132.06 3kjk h PRO 10 Ca -0.42 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.33 3kjk h PRO 10 Cb 1.28 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.33 3kjk h PRO 10 CO 0.69 0.00 -2.36 -2.13 -0.21 0.00 0.00 178.00 173.99 3kjk n ARG 11 N -2.38 0.66 -3.73 1.05 0.63 -1.26 -5.09 116.66 106.54 3kjk n ARG 11 Ca -0.00 0.11 -0.07 0.00 -0.92 0.00 0.00 57.85 56.97 3kjk n ARG 11 Cb 0.13 -1.48 -0.02 0.00 0.45 0.00 0.00 32.46 31.54 3kjk n ARG 11 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 3kjk s TYR 12 N -2.48 -0.25 -0.09 -0.14 -0.85 -1.23 -5.16 117.35 107.15 3kjk s TYR 12 Ca -0.28 -0.11 0.01 0.00 -0.52 0.00 0.00 57.07 56.17 3kjk s TYR 12 Cb 0.08 0.65 -0.02 0.00 0.38 0.00 0.00 41.96 43.05 3kjk s TYR 12 CO 0.60 -1.01 -0.11 -1.12 -1.52 0.00 0.00 175.55 172.39 3kjk s SER 13 N -2.86 4.28 0.34 -0.18 0.01 -1.26 0.15 113.70 114.18 3kjk s SER 13 Ca 0.09 -0.18 0.04 0.00 1.31 0.00 0.00 55.95 57.21 3kjk s SER 13 Cb -0.04 -1.26 0.67 0.00 0.21 0.00 0.00 66.02 65.60 3kjk s SER 13 CO 0.01 0.28 1.94 -0.33 0.41 0.00 0.00 173.24 175.54 3kjk h GLU 14 N 5.87 0.83 -3.71 12.44 4.39 -0.83 -3.38 114.58 130.19 3kjk h GLU 14 Ca -0.39 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.09 3kjk h GLU 14 Cb 1.18 -0.19 -0.22 0.00 -0.10 0.00 0.00 28.75 29.42 3kjk h GLU 14 CO 0.54 0.55 -0.60 0.00 -1.16 0.00 0.00 179.01 178.34 3kjk s ALA 15 N -5.76 -0.12 -0.04 3.43 0.00 -0.64 -0.83 121.76 117.80 3kjk s ALA 15 Ca -0.10 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.63 3kjk s ALA 15 Cb 0.20 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.40 3kjk s ALA 15 CO 0.78 -0.16 -0.14 0.08 0.00 0.00 0.00 175.76 176.33 3kjk s VAL 16 N -1.17 1.16 0.05 0.00 1.01 0.23 -0.54 120.40 121.15 3kjk s VAL 16 Ca -0.13 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.37 3kjk s VAL 16 Cb -0.07 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 3kjk s VAL 16 CO 0.00 0.35 -0.21 -0.83 0.00 0.00 0.00 175.10 174.41 3kjk s GLY 17 N 0.15 1.53 -0.18 4.51 0.00 0.19 -0.60 107.32 112.92 3kjk s GLY 17 Ca -0.04 -1.22 -0.05 0.00 0.00 0.00 0.00 44.72 43.40 3kjk s GLY 17 CO 0.02 -1.12 0.34 0.00 0.00 0.00 0.00 173.10 172.34 3kjk s ALA 18 N -0.90 -0.85 -1.53 3.20 0.00 -0.39 -1.78 121.76 119.51 3kjk s ALA 18 Ca 0.14 1.08 -0.01 0.00 0.00 0.00 0.00 51.96 53.17 3kjk s ALA 18 Cb -0.10 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.75 3kjk s ALA 18 CO 0.04 -0.84 0.10 0.09 0.00 0.00 0.00 175.76 175.15 3kjk n ASN 19 N 5.37 0.63 0.00 0.00 4.13 -1.20 -0.71 115.26 123.47 3kjk n ASN 19 Ca -0.06 -1.23 0.00 0.00 1.68 0.00 0.00 54.58 54.97 3kjk n ASN 19 Cb 0.50 -1.87 0.00 0.00 -1.54 0.00 0.00 39.78 36.86 3kjk n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kjk n GLY 20 N -2.43 3.00 3.81 7.41 0.00 -1.26 -5.05 105.19 110.67 3kjk n GLY 20 Ca -0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 3kjk n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kjk s LEU 21 N 0.00 3.88 -0.06 0.99 1.43 0.11 0.05 118.68 125.08 3kjk s LEU 21 Ca 0.00 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 3kjk s LEU 21 Cb 0.00 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.69 3kjk s LEU 21 CO 0.00 -0.60 -0.04 -0.63 0.23 0.00 0.00 176.35 175.31 3kjk s ILE 22 N -2.08 0.60 -0.22 -0.59 1.01 0.44 -1.26 121.20 119.10 3kjk s ILE 22 Ca 0.65 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 61.15 3kjk s ILE 22 Cb -0.13 -0.64 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 3kjk s ILE 22 CO 0.17 0.26 -0.05 -0.36 0.00 0.00 0.00 174.94 174.96 3kjk s PHE 23 N 1.23 2.95 0.06 3.97 0.08 0.23 -0.30 117.98 126.20 3kjk s PHE 23 Ca -0.06 -0.93 -0.09 0.00 0.12 0.00 0.00 56.93 55.97 3kjk s PHE 23 Cb -0.14 -2.09 -0.06 0.00 -0.57 0.00 0.00 43.02 40.17 3kjk s PHE 23 CO -0.02 -0.53 0.37 -0.51 -0.10 0.00 0.00 175.22 174.43 3kjk s LEU 24 N 1.42 4.36 1.00 -0.37 1.43 -0.52 -0.60 118.68 125.40 3kjk s LEU 24 Ca 0.05 0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 53.78 3kjk s LEU 24 Cb -0.14 -2.90 0.17 0.00 0.03 0.00 0.00 46.19 43.35 3kjk s LEU 24 CO -0.03 0.20 0.96 -1.20 0.23 0.00 0.00 176.35 176.50 3kjk n SER 25 N 0.98 -0.63 -3.39 2.29 7.64 -0.01 -4.22 113.62 116.28 3kjk n SER 25 Ca -0.09 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.03 3kjk n SER 25 Cb 0.52 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 3kjk n SER 25 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kjk n GLY 26 N 0.70 -3.26 0.00 0.23 0.00 -1.26 -4.56 105.19 97.04 3kjk n GLY 26 Ca 0.09 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3kjk n GLY 26 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kjk n VAL 28 N -1.85 0.00 -2.07 1.61 0.24 -1.26 -4.93 118.33 110.07 3kjk n VAL 28 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 3kjk n VAL 28 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 3kjk n VAL 28 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 3kjk s PRO 29 N -2.00 4.31 -0.03 7.34 0.02 -1.26 -4.80 135.00 138.58 3kjk s PRO 29 Ca 0.00 2.24 0.12 0.00 0.02 0.00 0.00 61.00 63.38 3kjk s PRO 29 Cb 0.00 -3.10 -0.18 0.00 0.02 0.00 0.00 34.50 31.23 3kjk s PRO 29 CO 0.00 -0.31 0.24 0.39 -0.33 0.00 0.00 177.00 176.99 3kjk n GLU 30 N 1.78 0.57 -4.19 5.54 1.02 -1.26 -5.03 120.64 119.06 3kjk n GLU 30 Ca 0.04 -0.10 -0.12 0.00 -0.02 0.00 0.00 57.16 56.97 3kjk n GLU 30 Cb 0.41 -1.29 -0.10 0.00 -0.02 0.00 0.00 31.44 30.44 3kjk n GLU 30 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3kjk s ASN 31 N -3.51 0.71 0.00 1.62 0.01 -1.26 -5.14 114.94 107.37 3kjk s ASN 31 Ca -0.05 -1.20 0.00 0.00 -0.71 0.00 0.00 52.86 50.90 3kjk s ASN 31 Cb 0.07 0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.95 3kjk s ASN 31 CO 0.50 -0.67 0.00 0.61 -1.51 0.00 0.00 177.10 176.03 3kjk n GLY 32 N -0.17 0.09 0.95 0.66 0.00 -1.26 -4.36 105.19 101.09 3kjk n GLY 32 Ca -0.06 -1.70 -0.00 0.00 0.00 0.00 0.00 46.02 44.26 3kjk n GLY 32 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kjk n GLU 33 N 0.23 0.01 -1.86 1.61 4.07 -1.26 -4.81 120.64 118.63 3kjk n GLU 33 Ca 0.00 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 3kjk n GLU 33 Cb 0.00 -0.53 0.08 0.00 -0.06 0.00 0.00 31.44 30.92 3kjk n GLU 33 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3kjk s THR 34 N -2.01 2.51 0.19 6.31 -4.23 -1.26 -4.87 115.64 112.28 3kjk s THR 34 Ca -0.01 0.17 -0.12 0.00 -1.18 0.00 0.00 61.69 60.55 3kjk s THR 34 Cb 0.00 -3.14 0.10 0.00 1.34 0.00 0.00 72.50 70.80 3kjk s THR 34 CO 0.01 -0.22 1.84 0.00 -0.54 0.00 0.00 174.62 175.71 3kjk h ALA 35 N -0.96 0.78 -0.10 3.99 0.00 -1.96 -1.23 119.26 119.78 3kjk h ALA 35 Ca -0.46 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.40 3kjk h ALA 35 Cb 1.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3kjk h ALA 35 CO 0.65 0.24 0.05 0.00 0.00 0.00 0.00 179.25 180.19 3kjk h ALA 36 N 1.21 0.12 -0.64 0.00 0.00 -1.94 -0.22 119.26 117.78 3kjk h ALA 36 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3kjk h ALA 36 Cb -0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3kjk h ALA 36 CO -0.04 -0.40 0.09 0.93 0.00 0.00 0.00 179.25 179.82 3kjk h GLU 37 N 0.11 1.06 -0.16 0.00 5.08 -1.91 -1.86 114.58 116.91 3kjk h GLU 37 Ca 0.04 -0.28 -0.17 0.00 -1.00 0.00 0.00 59.36 57.95 3kjk h GLU 37 Cb 0.01 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.14 3kjk h GLU 37 CO -0.03 0.98 -0.55 1.96 -1.00 0.00 0.00 179.01 180.37 3kjk h GLN 38 N 0.99 0.65 -0.59 2.33 4.20 -1.11 -2.02 115.11 119.57 3kjk h GLN 38 Ca 0.20 -0.49 0.05 0.00 0.06 0.00 0.00 58.65 58.46 3kjk h GLN 38 Cb 0.44 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.27 3kjk h GLN 38 CO 0.01 1.11 0.33 1.15 -0.67 0.00 0.00 178.83 180.76 3kjk h THR 39 N 0.32 0.99 -0.91 -0.54 2.02 -0.97 0.66 112.91 114.48 3kjk h THR 39 Ca -0.03 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 66.97 3kjk h THR 39 Cb 1.18 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 3kjk h THR 39 CO 0.12 0.11 0.59 0.00 0.37 0.00 0.00 175.52 176.71 3kjk h ALA 40 N 1.30 1.19 -0.33 6.16 0.00 -1.27 -0.57 119.26 125.75 3kjk h ALA 40 Ca 0.26 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3kjk h ALA 40 Cb 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3kjk h ALA 40 CO -0.15 0.47 -0.33 0.22 0.00 0.00 0.00 179.25 179.45 3kjk h ASP 41 N 1.16 0.76 -0.11 0.00 3.58 -0.63 -2.45 116.42 118.72 3kjk h ASP 41 Ca 0.36 -0.31 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 3kjk h ASP 41 Cb -0.02 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.81 3kjk h ASP 41 CO -0.11 1.03 -0.06 0.58 -2.88 0.00 0.00 179.24 177.79 3kjk h VAL 42 N 0.61 1.33 -0.29 2.25 2.07 -0.47 -2.50 116.25 119.24 3kjk h VAL 42 Ca 0.06 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 3kjk h VAL 42 Cb 0.86 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 3kjk h VAL 42 CO 0.07 0.32 -0.02 -0.07 0.02 0.00 0.00 177.57 177.89 3kjk h LEU 43 N -0.12 0.42 -0.91 2.57 3.38 -1.17 -1.30 115.31 118.18 3kjk h LEU 43 Ca 0.02 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3kjk h LEU 43 Cb 0.54 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3kjk h LEU 43 CO 0.02 0.50 0.06 0.00 0.09 0.00 0.00 178.44 179.12 3kjk h ALA 44 N 1.55 1.10 -0.50 1.53 0.00 -1.37 0.71 119.26 122.29 3kjk h ALA 44 Ca 0.09 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3kjk h ALA 44 Cb 0.32 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3kjk h ALA 44 CO 0.01 0.58 -0.07 1.96 0.00 0.00 0.00 179.25 181.73 3kjk h GLN 45 N 0.82 0.92 -0.38 0.00 4.20 -0.94 -2.41 115.11 117.33 3kjk h GLN 45 Ca 0.17 -0.33 0.03 0.00 0.06 0.00 0.00 58.65 58.57 3kjk h GLN 45 Cb 0.40 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 3kjk h GLN 45 CO 0.01 0.99 0.19 0.82 -0.67 0.00 0.00 178.83 180.17 3kjk h ILE 46 N 0.78 0.98 -0.58 2.54 2.04 -0.94 -1.55 117.51 120.79 3kjk h ILE 46 Ca 0.13 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 65.93 3kjk h ILE 46 Cb 0.62 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 3kjk h ILE 46 CO 0.04 0.07 0.26 0.44 0.00 0.00 0.00 178.15 178.96 3kjk h ASP 47 N 0.39 0.32 0.20 1.72 3.32 -0.73 -1.30 116.42 120.34 3kjk h ASP 47 Ca 0.16 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 3kjk h ASP 47 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3kjk h ASP 47 CO -0.11 0.21 -0.09 -0.09 -1.72 0.00 0.00 179.24 177.43 3kjk h ARG 48 N 0.48 -0.25 -0.42 3.56 2.43 -1.13 -2.30 114.38 116.75 3kjk h ARG 48 Ca 0.27 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.33 3kjk h ARG 48 Cb 0.26 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3kjk h ARG 48 CO -0.23 -0.10 -0.26 -1.49 -1.51 0.00 0.00 179.97 176.38 3kjk h TRP 49 N -0.36 1.07 -0.45 2.20 4.06 -1.16 -1.33 115.95 119.99 3kjk h TRP 49 Ca -0.03 -0.28 0.09 0.00 2.06 0.00 0.00 58.89 60.72 3kjk h TRP 49 Cb 0.27 -0.24 -0.07 0.00 -1.00 0.00 0.00 29.16 28.12 3kjk h TRP 49 CO -0.04 1.09 -0.01 -0.07 -3.56 0.00 0.00 178.44 175.85 3kjk h LEU 50 N 0.74 -0.21 -1.13 -4.49 3.38 -1.27 0.77 115.31 113.09 3kjk h LEU 50 Ca 0.09 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3kjk h LEU 50 Cb 0.84 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 3kjk h LEU 50 CO 0.07 -0.07 0.42 0.00 0.09 0.00 0.00 178.44 178.96 3kjk h ALA 51 N 1.40 1.34 -0.65 1.53 0.00 -1.15 0.51 119.26 122.24 3kjk h ALA 51 Ca 0.22 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3kjk h ALA 51 Cb 0.33 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3kjk h ALA 51 CO -0.38 0.55 0.30 1.49 0.00 0.00 0.00 179.25 181.21 3kjk h GLU 52 N 1.03 0.92 -0.23 0.00 4.57 -0.44 -2.89 114.58 117.54 3kjk h GLU 52 Ca 0.27 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3kjk h GLU 52 Cb 0.00 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 3kjk h GLU 52 CO -0.05 0.72 0.00 0.00 -1.18 0.00 0.00 179.01 178.51 3kjk n GLY 54 N 1.09 0.28 2.61 0.00 0.00 -0.70 -4.76 105.19 103.71 3kjk n GLY 54 Ca 0.14 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 3kjk n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kjk n SER 55 N 1.32 1.27 -3.38 1.61 2.88 0.17 -1.27 113.62 116.20 3kjk n SER 55 Ca -0.04 -2.68 -0.09 0.00 -1.33 0.00 0.00 58.87 54.73 3kjk n SER 55 Cb 0.53 0.77 -0.01 0.00 -0.75 0.00 0.00 64.21 64.75 3kjk n SER 55 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3kjk s ASP 56 N -2.95 0.09 0.57 -3.46 1.47 -1.26 -2.93 116.67 108.20 3kjk s ASP 56 Ca 0.15 -1.04 0.26 0.00 1.18 0.00 0.00 52.55 53.10 3kjk s ASP 56 Cb 0.01 0.75 1.68 0.00 -0.34 0.00 0.00 42.92 45.01 3kjk s ASP 56 CO 0.11 -1.45 2.23 0.07 0.68 0.00 0.00 175.17 176.81 3kjk h LYS 57 N 2.06 0.00 0.00 2.11 2.10 -1.93 0.11 116.57 121.02 3kjk h LYS 57 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3kjk h LYS 57 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3kjk h LYS 57 CO 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.80 3kjk n ALA 58 N -2.38 2.52 -1.75 0.07 0.00 -1.26 -3.10 120.51 114.60 3kjk n ALA 58 Ca -0.03 -0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.32 3kjk n ALA 58 Cb 0.08 -1.38 0.12 0.00 0.00 0.00 0.00 19.45 18.28 3kjk n ALA 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kjk n HIS 59 N -0.91 0.00 -3.11 0.00 8.25 0.38 -4.98 115.22 114.84 3kjk n HIS 59 Ca 0.17 -0.96 -0.39 0.00 -0.26 0.00 0.00 57.72 56.28 3kjk n HIS 59 Cb 0.08 -0.18 -0.05 0.00 1.12 0.00 0.00 29.99 30.96 3kjk n HIS 59 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kjk s VAL 60 N -1.97 5.03 -0.21 1.59 1.01 -1.18 -1.45 120.40 123.23 3kjk s VAL 60 Ca 0.31 1.34 -0.06 0.00 0.00 0.00 0.00 61.98 63.57 3kjk s VAL 60 Cb 0.31 -3.99 -0.20 0.00 0.00 0.00 0.00 36.38 32.50 3kjk s VAL 60 CO -0.06 0.30 0.01 0.18 0.00 0.00 0.00 175.10 175.52 3kjk n LEU 61 N 3.54 2.59 -3.87 3.92 4.77 0.61 -4.38 117.00 124.18 3kjk n LEU 61 Ca -0.03 0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 3kjk n LEU 61 Cb 0.51 -0.98 -0.14 0.00 -2.33 0.00 0.00 43.42 40.48 3kjk n LEU 61 CO 0.46 0.78 -0.36 -0.62 -1.33 0.00 0.00 177.39 176.32 3kjk s ASP 62 N -6.88 0.05 -0.04 -1.43 2.15 -0.70 -1.04 116.67 108.77 3kjk s ASP 62 Ca -0.30 -0.00 -0.02 0.00 0.43 0.00 0.00 52.55 52.65 3kjk s ASP 62 Cb 0.09 -0.01 0.03 0.00 -0.30 0.00 0.00 42.92 42.73 3kjk s ASP 62 CO 0.64 -0.01 0.06 0.00 -0.17 0.00 0.00 175.17 175.70 3kjk s ALA 63 N 0.08 0.23 -0.23 3.66 0.00 0.23 -0.85 121.76 124.87 3kjk s ALA 63 Ca -0.01 0.19 -0.09 0.00 0.00 0.00 0.00 51.96 52.06 3kjk s ALA 63 Cb -0.01 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 3kjk s ALA 63 CO -0.00 -0.50 0.11 0.08 0.00 0.00 0.00 175.76 175.44 3kjk s VAL 64 N 2.17 4.81 -0.24 0.00 1.01 -0.27 -1.56 120.40 126.32 3kjk s VAL 64 Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 3kjk s VAL 64 Cb -0.12 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 3kjk s VAL 64 CO -0.03 0.36 -0.02 -0.63 0.00 0.00 0.00 175.10 174.78 3kjk s ILE 65 N 1.20 3.46 -0.25 2.22 1.01 0.13 -0.49 121.20 128.48 3kjk s ILE 65 Ca 0.06 -0.57 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 3kjk s ILE 65 Cb -0.14 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 3kjk s ILE 65 CO 0.04 0.33 0.10 -0.31 0.00 0.00 0.00 174.94 175.10 3kjk s TYR 66 N 1.47 3.12 -0.09 3.97 2.02 0.13 -1.56 117.35 126.41 3kjk s TYR 66 Ca 0.05 -0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 56.44 3kjk s TYR 66 Cb -0.15 -2.26 -0.03 0.00 -0.40 0.00 0.00 41.96 39.11 3kjk s TYR 66 CO -0.02 -0.29 0.02 -0.51 -1.57 0.00 0.00 175.55 173.17 3kjk s LEU 67 N 1.60 3.66 0.19 -1.29 1.43 -0.67 -0.83 118.68 122.76 3kjk s LEU 67 Ca 0.06 0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.24 3kjk s LEU 67 Cb -0.15 -1.84 0.11 0.00 0.03 0.00 0.00 46.19 44.33 3kjk s LEU 67 CO 0.05 0.38 1.74 -0.09 0.23 0.00 0.00 176.35 178.65 3kjk h ARG 68 N 5.18 1.03 0.00 1.70 2.43 -1.44 0.18 114.38 123.46 3kjk h ARG 68 Ca -0.51 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.46 3kjk h ARG 68 Cb 1.20 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3kjk h ARG 68 CO 0.55 0.88 0.00 -3.47 -1.51 0.00 0.00 179.97 176.42 3kjk n ASP 69 N -4.36 0.51 0.00 -3.80 4.64 -1.26 -4.54 116.55 107.74 3kjk n ASP 69 Ca 0.05 -0.30 0.00 0.00 -1.38 0.00 0.00 54.79 53.16 3kjk n ASP 69 Cb 0.20 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.28 3kjk n ASP 69 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kjk n GLY 71 N 1.29 0.00 0.45 0.27 0.00 -1.26 -4.39 105.19 101.55 3kjk n GLY 71 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3kjk n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kjk n ASP 72 N 0.00 1.34 -0.00 1.61 8.00 -1.26 -4.47 116.55 121.76 3kjk n ASP 72 Ca 0.00 -1.77 -0.10 0.00 0.71 0.00 0.00 54.79 53.63 3kjk n ASP 72 Cb 0.00 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 40.95 3kjk n ASP 72 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3kjk h TYR 73 N 1.65 -0.73 -0.10 1.24 3.20 -2.01 -3.09 116.97 117.13 3kjk h TYR 73 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3kjk h TYR 73 Cb 0.37 0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 3kjk h TYR 73 CO 0.12 -0.35 0.07 0.00 -1.64 0.00 0.00 178.16 176.35 3kjk h ALA 74 N 0.58 0.12 0.00 1.82 0.00 -1.99 -0.96 119.26 118.83 3kjk h ALA 74 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kjk h ALA 74 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kjk h ALA 74 CO -0.33 -0.39 0.00 0.39 0.00 0.00 0.00 179.25 178.92 3kjk n GLU 75 N -5.02 0.20 0.00 0.00 -0.58 -1.17 -0.97 120.64 113.09 3kjk n GLU 75 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3kjk n GLU 75 Cb 0.03 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 3kjk n GLU 75 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3kjk n ASN 77 N 0.69 0.00 -0.07 1.62 3.02 -0.36 -3.13 115.26 117.02 3kjk n ASN 77 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 3kjk n ASN 77 Cb 0.08 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.24 3kjk n ASN 77 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3kjk h GLY 78 N 0.00 0.25 0.78 7.41 0.00 -1.32 0.14 103.07 110.32 3kjk h GLY 78 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 3kjk h GLY 78 CO 0.00 -0.07 -0.34 -2.08 0.00 0.00 0.00 176.54 174.05 3kjk h VAL 79 N 0.06 1.38 -0.15 4.60 2.07 -1.84 -3.19 116.25 119.19 3kjk h VAL 79 Ca 0.13 -1.66 0.02 0.00 0.82 0.00 0.00 66.70 66.02 3kjk h VAL 79 Cb 0.18 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3kjk h VAL 79 CO -0.24 0.49 0.00 -0.25 0.02 0.00 0.00 177.57 177.59 3kjk h TRP 80 N -0.00 -0.00 -0.57 1.57 2.91 -1.83 -2.43 115.95 115.60 3kjk h TRP 80 Ca -0.01 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.10 3kjk h TRP 80 Cb 0.96 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.60 3kjk h TRP 80 CO 0.11 -0.02 0.38 -0.44 -1.03 0.00 0.00 178.44 177.45 3kjk h ASP 81 N 0.06 0.42 1.13 2.65 5.19 -1.06 -1.54 116.42 123.26 3kjk h ASP 81 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3kjk h ASP 81 Cb 0.08 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3kjk h ASP 81 CO -0.11 0.27 -0.19 0.00 -3.12 0.00 0.00 179.24 176.09 3kjk n ALA 82 N -2.50 2.56 -0.09 3.45 0.00 -0.99 -4.08 120.51 118.86 3kjk n ALA 82 Ca 0.08 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.20 3kjk n ALA 82 Cb 0.29 -1.37 -0.12 0.00 0.00 0.00 0.00 19.45 18.25 3kjk n ALA 82 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3kjk n TRP 83 N -1.97 0.37 -1.72 0.00 -0.00 -0.64 -4.99 117.44 108.48 3kjk n TRP 83 Ca 0.05 0.08 -0.38 0.00 -0.00 0.00 0.00 57.50 57.26 3kjk n TRP 83 Cb 0.40 -1.05 0.06 0.00 -0.00 0.00 0.00 31.31 30.72 3kjk n TRP 83 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 3kjk n VAL 84 N -3.43 4.35 -2.52 5.87 0.24 -0.82 -4.94 118.33 117.09 3kjk n VAL 84 Ca -0.43 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 60.95 3kjk n VAL 84 Cb 0.99 -1.52 -0.02 0.00 -1.47 0.00 0.00 33.84 31.82 3kjk n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kjk s ALA 85 N -1.36 3.59 0.16 2.33 0.00 -1.26 -4.98 121.76 120.23 3kjk s ALA 85 Ca 0.77 0.24 -0.34 0.00 0.00 0.00 0.00 51.96 52.63 3kjk s ALA 85 Cb -0.40 -3.64 -0.15 0.00 0.00 0.00 0.00 23.12 18.93 3kjk s ALA 85 CO 0.45 -1.31 1.44 0.00 0.00 0.00 0.00 175.76 176.34 3kjk n ALA 86 N 6.77 0.49 -0.05 0.00 0.00 -1.26 -0.99 120.51 125.47 3kjk n ALA 86 Ca 0.13 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3kjk n ALA 86 Cb 0.46 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.68 3kjk n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kjk n GLY 87 N 2.81 2.75 2.43 0.00 0.00 -1.26 -4.80 105.19 107.12 3kjk n GLY 87 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3kjk n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjk n ARG 88 N -2.00 2.68 -2.68 1.61 1.74 -0.16 -5.08 116.66 112.77 3kjk n ARG 88 Ca 0.00 -3.86 -0.41 0.00 -0.77 0.00 0.00 57.85 52.81 3kjk n ARG 88 Cb 0.00 -1.94 -0.05 0.00 -1.02 0.00 0.00 32.46 29.45 3kjk n ARG 88 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3kjk s THR 89 N -4.23 4.26 0.81 0.55 -4.23 -1.15 -4.57 115.64 107.07 3kjk s THR 89 Ca 0.39 1.95 -0.11 0.00 -1.18 0.00 0.00 61.69 62.75 3kjk s THR 89 Cb 0.37 -4.25 0.10 0.00 1.34 0.00 0.00 72.50 70.06 3kjk s THR 89 CO -0.01 0.34 1.16 -2.16 -0.54 0.00 0.00 174.62 173.41 3kjk s PRO 90 N -0.31 1.79 0.35 3.99 0.04 -1.26 -5.02 135.00 134.59 3kjk s PRO 90 Ca 0.47 -0.10 -0.28 0.00 0.04 0.00 0.00 61.00 61.12 3kjk s PRO 90 Cb -0.25 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.18 3kjk s PRO 90 CO 0.32 -1.64 1.44 0.00 0.04 0.00 0.00 177.00 177.15 3kjk s ALA 91 N -3.54 3.57 0.02 8.56 0.00 -0.21 -4.91 121.76 125.25 3kjk s ALA 91 Ca 0.64 1.47 0.02 0.00 0.00 0.00 0.00 51.96 54.09 3kjk s ALA 91 Cb -0.10 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 3kjk s ALA 91 CO 0.48 -0.92 -0.06 0.50 0.00 0.00 0.00 175.76 175.76 3kjk s ARG 92 N -1.83 0.45 -0.04 0.00 3.52 -1.26 -0.60 118.95 119.18 3kjk s ARG 92 Ca 0.53 -0.47 -0.04 0.00 -0.13 0.00 0.00 55.73 55.61 3kjk s ARG 92 Cb -0.44 -0.31 0.01 0.00 -1.56 0.00 0.00 34.95 32.65 3kjk s ARG 92 CO 0.58 0.07 0.12 0.00 -0.81 0.00 0.00 175.30 175.26 3kjk s ALA 93 N -0.79 -0.29 -0.10 6.12 0.00 -0.60 -4.98 121.76 121.13 3kjk s ALA 93 Ca -0.05 0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.22 3kjk s ALA 93 Cb -0.06 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.90 3kjk s ALA 93 CO 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 175.76 175.70 3kjk s VAL 95 N 1.90 1.25 -0.24 0.00 -7.23 -0.60 -4.99 120.40 110.49 3kjk s VAL 95 Ca 0.04 -2.08 -0.15 0.00 -1.81 0.00 0.00 61.98 57.97 3kjk s VAL 95 Cb -0.13 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 3kjk s VAL 95 CO -0.06 -0.55 0.39 -0.70 -0.31 0.00 0.00 175.10 173.86 3kjk s GLU 96 N -3.77 4.09 -0.19 4.82 2.12 -1.26 -1.67 118.70 122.84 3kjk s GLU 96 Ca 0.22 0.13 -0.15 0.00 0.36 0.00 0.00 54.97 55.53 3kjk s GLU 96 Cb 0.03 -3.60 0.05 0.00 0.26 0.00 0.00 34.13 30.88 3kjk s GLU 96 CO 0.05 -0.16 0.50 0.00 -0.54 0.00 0.00 175.26 175.11 3kjk s ALA 97 N 1.71 -1.25 0.51 6.30 0.00 0.64 -4.91 121.76 124.75 3kjk s ALA 97 Ca 0.17 1.53 -0.20 0.00 0.00 0.00 0.00 51.96 53.47 3kjk s ALA 97 Cb -0.15 -0.90 -0.07 0.00 0.00 0.00 0.00 23.12 21.99 3kjk s ALA 97 CO 0.09 -0.26 1.07 1.03 0.00 0.00 0.00 175.76 177.69 3kjk s ARG 98 N 0.66 3.64 0.52 0.00 0.52 -1.26 -3.53 118.95 119.51 3kjk s ARG 98 Ca -0.03 1.43 0.05 0.00 -0.52 0.00 0.00 55.73 56.66 3kjk s ARG 98 Cb -0.05 -2.06 0.02 0.00 0.52 0.00 0.00 34.95 33.38 3kjk s ARG 98 CO -0.04 -0.58 0.34 -0.51 0.02 0.00 0.00 175.30 174.53 3kjk s LEU 99 N -3.62 2.73 0.67 2.53 1.43 -1.26 -5.01 118.68 116.15 3kjk s LEU 99 Ca 0.69 -1.25 0.43 0.00 -1.03 0.00 0.00 54.13 52.97 3kjk s LEU 99 Cb -0.19 -1.21 2.34 0.00 0.03 0.00 0.00 46.19 47.16 3kjk s LEU 99 CO 0.23 -1.01 2.33 0.00 0.23 0.00 0.00 176.35 178.13 3kjk h ALA 100 N 0.89 1.06 -3.41 4.21 0.00 -1.97 -3.41 119.26 116.63 3kjk h ALA 100 Ca -0.38 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.26 3kjk h ALA 100 Cb 1.30 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.85 3kjk h ALA 100 CO 0.60 -0.04 -0.73 1.03 0.00 0.00 0.00 179.25 180.11 3kjk s ARG 101 N -4.16 0.41 0.48 0.00 0.52 -1.26 -5.06 118.95 109.87 3kjk s ARG 101 Ca -0.05 -0.49 0.15 0.00 -0.52 0.00 0.00 55.73 54.82 3kjk s ARG 101 Cb 0.13 -0.23 1.11 0.00 0.52 0.00 0.00 34.95 36.47 3kjk s ARG 101 CO 0.40 0.05 2.06 -1.35 0.02 0.00 0.00 175.30 176.48 3kjk h PRO 102 N 5.13 0.03 0.00 3.54 0.11 -2.03 -2.56 132.00 136.22 3kjk h PRO 102 Ca -0.32 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3kjk h PRO 102 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kjk h PRO 102 CO 0.44 0.11 0.00 0.93 -0.21 0.00 0.00 178.00 179.28 3kjk h GLU 103 N 0.03 0.00 -6.10 1.05 3.07 -1.97 -3.44 114.58 107.23 3kjk h GLU 103 Ca 0.01 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.28 3kjk h GLU 103 Cb 0.16 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.99 3kjk h GLU 103 CO 0.01 0.00 0.66 -1.58 -1.40 0.00 0.00 179.01 176.70 3kjk s TRP 104 N -3.26 3.16 -0.81 4.33 0.51 -0.97 -4.90 118.94 117.01 3kjk s TRP 104 Ca 0.07 1.01 0.21 0.00 -2.12 0.00 0.00 56.10 55.27 3kjk s TRP 104 Cb 0.10 -3.53 -0.21 0.00 -0.81 0.00 0.00 33.47 29.02 3kjk s TRP 104 CO 0.50 -0.71 0.85 0.54 -0.51 0.00 0.00 176.95 177.62 3kjk n ARG 105 N 6.63 0.13 -3.71 4.98 1.74 -1.26 -4.60 116.66 120.57 3kjk n ARG 105 Ca 0.09 -0.04 -0.14 0.00 -0.77 0.00 0.00 57.85 56.99 3kjk n ARG 105 Cb 0.48 -1.51 -0.09 0.00 -1.02 0.00 0.00 32.46 30.32 3kjk n ARG 105 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kjk s VAL 106 N -3.10 0.01 -0.04 1.55 0.11 -1.26 -1.97 120.40 115.70 3kjk s VAL 106 Ca 0.05 -0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 59.01 3kjk s VAL 106 Cb 0.16 -0.66 0.02 0.00 -1.53 0.00 0.00 36.38 34.37 3kjk s VAL 106 CO 0.87 -0.04 0.09 -0.70 -3.33 0.00 0.00 175.10 171.99 3kjk s GLU 107 N -0.07 0.06 -0.10 1.54 2.12 -0.01 -4.22 118.70 118.02 3kjk s GLU 107 Ca -0.03 0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.53 3kjk s GLU 107 Cb -0.03 -0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.28 3kjk s GLU 107 CO 0.02 -0.09 -0.15 0.42 -0.54 0.00 0.00 175.26 174.91 3kjk s ILE 108 N 0.63 1.49 -0.21 -3.70 1.01 -1.26 0.18 121.20 119.34 3kjk s ILE 108 Ca -0.05 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 3kjk s ILE 108 Cb -0.07 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 3kjk s ILE 108 CO -0.03 0.44 -0.02 -0.75 0.00 0.00 0.00 174.94 174.58 3kjk s LYS 109 N 0.93 3.47 -0.09 2.79 2.20 0.36 -4.57 119.74 124.83 3kjk s LYS 109 Ca -0.08 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 3kjk s LYS 109 Cb -0.15 -3.04 -0.03 0.00 -1.51 0.00 0.00 37.83 33.10 3kjk s LYS 109 CO -0.01 -0.12 -0.07 0.42 -0.36 0.00 0.00 175.35 175.22 3kjk s ILE 110 N 1.30 3.71 -0.13 5.43 -1.09 -1.26 -1.12 121.20 128.04 3kjk s ILE 110 Ca 0.04 -0.46 0.01 0.00 -2.23 0.00 0.00 60.65 58.00 3kjk s ILE 110 Cb -0.14 -2.54 -0.00 0.00 -1.58 0.00 0.00 42.46 38.19 3kjk s ILE 110 CO -0.01 0.58 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.22 3kjk s THR 111 N -0.57 2.59 0.34 2.92 2.01 -0.03 -1.44 115.64 121.46 3kjk s THR 111 Ca 0.09 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.32 3kjk s THR 111 Cb -0.12 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 3kjk s THR 111 CO 0.02 0.53 0.18 0.00 -0.69 0.00 0.00 174.62 174.66 3kjk n ALA 112 N 3.78 0.56 -2.67 7.40 0.00 0.59 -0.28 120.51 129.89 3kjk n ALA 112 Ca -0.19 -1.81 -0.19 0.00 0.00 0.00 0.00 53.44 51.25 3kjk n ALA 112 Cb 0.52 1.31 -0.13 0.00 0.00 0.00 0.00 19.45 21.15 3kjk n ALA 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kjk s VAL 113 N -3.04 1.00 0.45 0.00 0.11 -0.53 -0.42 120.40 117.98 3kjk s VAL 113 Ca 0.25 -0.94 -0.25 0.00 -2.93 0.00 0.00 61.98 58.11 3kjk s VAL 113 Cb 0.01 -0.92 -0.08 0.00 -1.53 0.00 0.00 36.38 33.87 3kjk s VAL 113 CO 0.18 -0.02 1.33 -0.54 -3.33 0.00 0.00 175.10 172.72 3kjk s LYS 114 N -1.09 3.73 0.51 1.54 1.02 0.11 -4.64 119.74 120.92 3kjk s LYS 114 Ca 0.01 2.21 0.28 0.00 0.02 0.00 0.00 55.97 58.48 3kjk s LYS 114 Cb -0.08 -2.61 1.35 0.00 -0.52 0.00 0.00 37.83 35.97 3kjk s LYS 114 CO 0.01 -0.71 2.01 0.00 -0.92 0.00 0.00 175.35 175.75 3kjk h ARG 115 N 2.31 0.00 0.00 1.68 3.08 -1.53 -3.49 114.38 116.44 3kjk h ARG 115 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3kjk h ARG 115 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3kjk h ARG 115 CO 0.61 0.14 0.00 -0.25 -1.07 0.00 0.00 179.97 179.40